smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3CC(=O)[C@@]2(O)C1 ZINC000036649197 290684532 /nfs/dbraw/zinc/68/45/32/290684532.db2.gz QEDZDAWIPDLZAN-YNEVUBTPSA-N 0 0 460.699 6.333 40 0 biogenic,in-vitro JKABRN CC(=O)OC(C)(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253504970 291535071 /nfs/dbraw/zinc/53/50/71/291535071.db2.gz NTYRSMDNACWFJE-IDIQVSFDSA-N 0 0 492.741 5.486 40 0 biogenic,in-vitro JKABRN CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H]2C(=C(C)CCC2(C)C)[C@@]23CC[C@@](C)(C2)C(=O)C[C@@H]13 ZINC000247859817 291537027 /nfs/dbraw/zinc/53/70/27/291537027.db2.gz FKMMWCMRFJRLIO-LQFQXTSXSA-N 0 0 464.602 5.676 40 0 biogenic,in-vitro JKABRN CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@H]1C ZINC000257420579 291542736 /nfs/dbraw/zinc/54/27/36/291542736.db2.gz FVYDVAOTXPELMH-XRFFIKFCSA-N 0 0 453.623 6.338 40 0 endogenous,in-man JKABRN C[C@H](CC=C(c1ccccc1)c1ccccc1)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253505669 291548333 /nfs/dbraw/zinc/54/83/33/291548333.db2.gz ZSDQQAARIIJNOV-FOJCCZHWSA-N 0 0 494.763 9.084 40 0 biogenic,in-vitro JKABRN CC(=O)O[C@H]1[C@@H]2CC(=O)[C@@]3(C)CC[C@@]2(C3)C2=C(C)CCC(C)(C)[C@@H]2[C@H]1OC(=O)c1ccccc1 ZINC000229772334 291557660 /nfs/dbraw/zinc/55/76/60/291557660.db2.gz FKMMWCMRFJRLIO-NNBXMCDASA-N 0 0 464.602 5.676 40 0 biogenic,in-vitro JKABRN CC(=O)O[C@H]1C=C2[C@H](OC(C)=O)C[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118913863 291558196 /nfs/dbraw/zinc/55/81/96/291558196.db2.gz KFYYRJPCJHIFRL-PQCMAULGSA-N 0 0 486.737 7.501 40 0 biogenic,in-vitro JKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000013298265 291559347 /nfs/dbraw/zinc/55/93/47/291559347.db2.gz UMRPOGLIBDXFNK-ZYGITSNFSA-N 0 0 468.766 8.740 40 0 biogenic,in-vitro JKABRN CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@H]1C ZINC000038563014 291584257 /nfs/dbraw/zinc/58/42/57/291584257.db2.gz FVYDVAOTXPELMH-VTLBJKGQSA-N 0 0 453.623 6.338 40 0 endogenous,in-man JKABRN C[C@@H](CC=C(c1ccccc1)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913867 291593160 /nfs/dbraw/zinc/59/31/60/291593160.db2.gz ZSDQQAARIIJNOV-QMQLKJGYSA-N 0 0 494.763 9.084 40 0 biogenic,in-vitro JKABRN Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)COc2ccccc2)C1 ZINC000008624195 291600408 /nfs/dbraw/zinc/60/04/08/291600408.db2.gz ZJSSGLVNIPOOPA-UYAOXDASSA-N 0 0 455.480 5.115 40 0 biogenic,in-vitro JKABRN Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC000008624239 291600417 /nfs/dbraw/zinc/60/04/17/291600417.db2.gz YJHKAQYFFOAIRW-ISKFKSNPSA-N 0 0 456.634 5.695 40 0 biogenic,in-vitro JKABRN O=C(Nc1cccc(F)c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cc4ccccc4s3)c12 ZINC000015672322 291602617 /nfs/dbraw/zinc/60/26/17/291602617.db2.gz SUTMUOMASIXFLJ-FUHWJXTLSA-N 0 0 459.546 5.520 40 0 biogenic,in-vitro JKABRN O=C(Nc1cccc(F)c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccc(OC(F)(F)F)cc3)ccc12 ZINC000005414996 291602559 /nfs/dbraw/zinc/60/25/59/291602559.db2.gz WIEDMYWTRYRURO-DOTOQJQBSA-N 0 0 487.453 5.204 40 0 biogenic,in-vitro JKABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000004236148 291602579 /nfs/dbraw/zinc/60/25/79/291602579.db2.gz XXHODIQLTCOREE-HFZDXXHNSA-N 0 0 489.575 5.027 40 0 biogenic,in-vitro JKABRN O=C(Nc1cccc2ccccc21)O[C@@H]1CO[C@@H]2[C@@H](NC(=S)Nc3cccc4ccccc43)CO[C@H]12 ZINC000003841731 291602956 /nfs/dbraw/zinc/60/29/56/291602956.db2.gz NFHLKUSTWQMMFP-BKKFENPESA-N 0 0 499.592 5.063 40 0 biogenic,in-vitro JKABRN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 ZINC000000836761 193922457 /nfs/dbraw/zinc/92/24/57/193922457.db2.gz DXMJIKVUVJZNEV-OAHLLOKOSA-N 0 0 451.206 5.061 40 0 JKABRN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Br)cc1Br ZINC000000951513 193990480 /nfs/dbraw/zinc/99/04/80/193990480.db2.gz BUORVPBWCYVZHH-UHFFFAOYSA-N 0 0 463.553 5.200 40 0 JKABRN Nc1ccc(C(=O)Nc2ccc(-c3nc4cc(NC(=O)c5ccc(N)cc5)ccc4o3)cc2)cc1 ZINC000001504981 194126272 /nfs/dbraw/zinc/12/62/72/194126272.db2.gz KRFJABGCGSWUTQ-UHFFFAOYSA-N 0 0 463.497 5.164 40 0 JKABRN CCc1cccc(C(C)C)c1NC(=O)C(=O)[C@H](c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000001636866 194130043 /nfs/dbraw/zinc/13/00/43/194130043.db2.gz WPXRMPGLQFDXTC-SANMLTNESA-N 0 0 463.599 5.236 40 0 JKABRN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2 ZINC000001776777 194138068 /nfs/dbraw/zinc/13/80/68/194138068.db2.gz HFVLKERQAGFZGD-JQIJEIRASA-N 0 0 491.609 6.043 40 0 JKABRN CCOC(=O)Cc1csc(NC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n1 ZINC000001780755 194139020 /nfs/dbraw/zinc/13/90/20/194139020.db2.gz DEZGYEXUIFHUTF-UHFFFAOYSA-N 0 0 492.595 5.533 40 0 JKABRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCCOc1ccccc1OC ZINC000001903347 194154279 /nfs/dbraw/zinc/15/42/79/194154279.db2.gz RRBDAKOASNQRPV-UHFFFAOYSA-N 0 0 453.560 5.707 40 0 JKABRN COc1cc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1 ZINC000001904359 194154471 /nfs/dbraw/zinc/15/44/71/194154471.db2.gz JQQFDZSULPRBDQ-RIYZIHGNSA-N 0 0 460.530 6.189 40 0 JKABRN COC(=O)c1ccc2c(c1)n1c(=S)sc(-c3ccccc3)c1n(Cc1cc(C)ccc1C)c2=O ZINC000002957527 194180481 /nfs/dbraw/zinc/18/04/81/194180481.db2.gz UZEKHQJWPCSOSU-UHFFFAOYSA-N 0 0 486.618 6.164 40 0 JKABRN COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OC(=O)c1ccccc1Cl ZINC000002976708 194191236 /nfs/dbraw/zinc/19/12/36/194191236.db2.gz VZMFZILGGCFNBM-XDHOZWIPSA-N 0 0 451.837 5.051 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000003011170 194204390 /nfs/dbraw/zinc/20/43/90/194204390.db2.gz NZMRGRKTRWFZPA-YJYMSZOUSA-N 0 0 494.857 5.186 40 0 JKABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccccc4Cl)cc3N2)cc1OC ZINC000003012154 194205821 /nfs/dbraw/zinc/20/58/21/194205821.db2.gz LVFLAGQWYLUHLN-BEFAXECRSA-N 0 0 480.874 5.466 40 0 JKABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)CC(C)(C)C)c3N2)cc1OC ZINC000003012575 194206483 /nfs/dbraw/zinc/20/64/83/194206483.db2.gz BKEZBMWDBQXUBR-APWZRJJASA-N 0 0 482.547 5.505 40 0 JKABRN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)c(Cl)c4)c3N2)cc1 ZINC000003012657 194206603 /nfs/dbraw/zinc/20/66/03/194206603.db2.gz NGTHQJVSYZFGKT-ROUUACIJSA-N 0 0 469.294 6.411 40 0 JKABRN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)c(Cl)c4)c3N2)cc1 ZINC000003012661 194206676 /nfs/dbraw/zinc/20/66/76/194206676.db2.gz NGTHQJVSYZFGKT-ZWKOTPCHSA-N 0 0 469.294 6.411 40 0 JKABRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)cc(Cl)c4)c3N2)cc1 ZINC000003012635 194206687 /nfs/dbraw/zinc/20/66/87/194206687.db2.gz XAPVBTDQQOLFOO-QZTJIDSGSA-N 0 0 469.294 6.411 40 0 JKABRN O=C(Nc1ccc(NC(=O)c2ccc(F)c3ccccc23)cc1)c1ccc(F)c2ccccc12 ZINC000003016759 194207232 /nfs/dbraw/zinc/20/72/32/194207232.db2.gz IOQXCYICTIKCPY-UHFFFAOYSA-N 0 0 452.460 6.776 40 0 JKABRN O=C1c2ccccc2C(=O)N1c1ccc(-c2nc3cc(N4C(=O)c5ccccc5C4=O)ccc3o2)cc1 ZINC000003207468 194239144 /nfs/dbraw/zinc/23/91/44/194239144.db2.gz DKNUSXDNABZBOX-UHFFFAOYSA-N 0 0 485.455 5.096 40 0 JKABRN CCc1ccc(-n2c3nnc(SCc4cc(C(C)=O)ccc4OC)n3c3ccccc3c2=O)cc1 ZINC000003280348 194261579 /nfs/dbraw/zinc/26/15/79/194261579.db2.gz DSWDQAUQUHKGNF-UHFFFAOYSA-N 0 0 484.581 5.099 40 0 JKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)n2)cc1 ZINC000003645096 194348201 /nfs/dbraw/zinc/34/82/01/194348201.db2.gz WIECDOAJJPVRIM-HJPURHCSSA-N 0 0 479.568 5.690 40 0 JKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)n2)cc1 ZINC000003645095 194348321 /nfs/dbraw/zinc/34/83/21/194348321.db2.gz WIECDOAJJPVRIM-WAIKUNEKSA-N 0 0 479.568 5.690 40 0 JKABRN C[C@@H](CCc1ccc(CC[C@H](C)OC(=O)Nc2ccccc2)cc1)OC(=O)Nc1ccccc1 ZINC000003844681 194364038 /nfs/dbraw/zinc/36/40/38/194364038.db2.gz FATUOTAACMONKF-VXKWHMMOSA-N 0 0 460.574 6.826 40 0 JKABRN Clc1nc(Cl)nc(Oc2ccc(Cc3ccc(Oc4nc(Cl)nc(Cl)n4)cc3)cc2)n1 ZINC000003843491 194364043 /nfs/dbraw/zinc/36/40/43/194364043.db2.gz CHFHDXLPQOAWMT-UHFFFAOYSA-N 0 0 496.141 5.846 40 0 JKABRN CC(=O)Nc1cc(NC(C)=O)c(/C=C/c2ccccc2)c(NC(C)=O)c1/C=C/c1ccccc1 ZINC000003845328 194364057 /nfs/dbraw/zinc/36/40/57/194364057.db2.gz MPSMWGYPTVGIQQ-YXLFCKQPSA-N 0 0 453.542 5.903 40 0 JKABRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 ZINC000003846945 194364254 /nfs/dbraw/zinc/36/42/54/194364254.db2.gz FLCAXIRTJMKKAX-INIZCTEOSA-N 0 0 469.031 6.956 40 0 JKABRN CC[C@](C(=O)Oc1ccccc1)(c1ccccc1)[C@@](CC)(C(=O)Oc1ccccc1)c1ccccc1 ZINC000003846978 194364352 /nfs/dbraw/zinc/36/43/52/194364352.db2.gz LKEZWZBTXBTZFH-ROJLCIKYSA-N 0 0 478.588 6.894 40 0 JKABRN 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COc1ccc([C@@H](O)[P@@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1OC ZINC000008997497 194501326 /nfs/dbraw/zinc/50/13/26/194501326.db2.gz RLTJEKQEQDPJCD-DKPICHTLSA-N 0 0 489.593 5.842 40 0 JKABRN C[C@H]1CC[C@H]2[C@H](CC[C@H](C)N2C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)C1 ZINC000009059411 194517169 /nfs/dbraw/zinc/51/71/69/194517169.db2.gz BDLZVHHBUDLPDL-OAZVVGOESA-N 0 0 489.607 6.169 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3c(c2=O)[C@@H]2CCCC[C@H]2S3)cc1 ZINC000009231990 194617458 /nfs/dbraw/zinc/61/74/58/194617458.db2.gz IBYBHPNBTHMTGA-NHCUHLMSSA-N 0 0 493.654 5.412 40 0 JKABRN O=C(C[C@@H](Nc1ccc(Br)cc1)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000009235294 194621569 /nfs/dbraw/zinc/62/15/69/194621569.db2.gz PHDRNSOUHNLENI-HXUWFJFHSA-N 0 0 477.171 6.777 40 0 JKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O ZINC000009699864 194900380 /nfs/dbraw/zinc/90/03/80/194900380.db2.gz RTGSBQTXXZFRDD-OOYKWLJTSA-N 0 0 497.591 6.897 40 0 JKABRN 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CCCc1nnc2sc(-c3cccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)c3)nn12 ZINC000020609700 195182721 /nfs/dbraw/zinc/18/27/21/195182721.db2.gz DFLJLZZQOUSKAB-GFCCVEGCSA-N 0 0 476.389 5.518 40 0 JKABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4cc(OCC)c(OCC)c(OCC)c4)cc3)nn12 ZINC000020609799 195182952 /nfs/dbraw/zinc/18/29/52/195182952.db2.gz GPOXYGFAQUGSSG-UHFFFAOYSA-N 0 0 495.605 5.254 40 0 JKABRN CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000020610167 195183225 /nfs/dbraw/zinc/18/32/25/195183225.db2.gz UQOSISJPKJVXFW-NTCAYCPXSA-N 0 0 482.971 6.857 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1 ZINC000020610326 195183299 /nfs/dbraw/zinc/18/32/99/195183299.db2.gz SQVDRPMYOFOQLR-UHFFFAOYSA-N 0 0 450.926 5.107 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000020610393 195183531 /nfs/dbraw/zinc/18/35/31/195183531.db2.gz CCJNMTIFFHQKEI-XYOKQWHBSA-N 0 0 493.325 6.778 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c3)o2)cc1Cl ZINC000020610397 195183547 /nfs/dbraw/zinc/18/35/47/195183547.db2.gz DVMXKZNBKLZIJO-JLHYYAGUSA-N 0 0 472.907 6.433 40 0 JKABRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000020610395 195183562 /nfs/dbraw/zinc/18/35/62/195183562.db2.gz BPXHZGOUCMEAFT-JLHYYAGUSA-N 0 0 493.325 6.778 40 0 JKABRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1sc2cc(Cl)ccc2c1Cl ZINC000020610371 195183574 /nfs/dbraw/zinc/18/35/74/195183574.db2.gz AIHXYTXVVHWRDE-UHFFFAOYSA-N 0 0 457.317 6.333 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4I)cc3n2)cc1 ZINC000020610469 195183600 /nfs/dbraw/zinc/18/36/00/195183600.db2.gz KNONWRSWTNVGLT-UHFFFAOYSA-N 0 0 482.325 5.401 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4nn(-c5ccc(C(C)C)cc5)nc4c3)o2)cc1Cl ZINC000020610620 195183865 /nfs/dbraw/zinc/18/38/65/195183865.db2.gz AHZKZQSYJMPKCP-NTCAYCPXSA-N 0 0 496.998 7.418 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1Cl ZINC000020610867 195184144 /nfs/dbraw/zinc/18/41/44/195184144.db2.gz IQCSUQQYPFHKHL-UHFFFAOYSA-N 0 0 450.926 5.223 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(Cl)cc4Cl)cc3n2)cc1Cl ZINC000020610896 195184156 /nfs/dbraw/zinc/18/41/56/195184156.db2.gz YFMPTGWLVYUUPM-UHFFFAOYSA-N 0 0 491.762 5.715 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1Cl ZINC000020610841 195184226 /nfs/dbraw/zinc/18/42/26/195184226.db2.gz WYGZEFOYSDJATP-UHFFFAOYSA-N 0 0 479.323 6.248 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1Cl ZINC000020610894 195184249 /nfs/dbraw/zinc/18/42/49/195184249.db2.gz BVEXWVISTKAVSC-UHFFFAOYSA-N 0 0 464.953 5.532 40 0 JKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000020610968 195184267 /nfs/dbraw/zinc/18/42/67/195184267.db2.gz HPBQCHNTGMELQV-UHFFFAOYSA-N 0 0 465.351 5.288 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3n2)cc1Cl ZINC000020610843 195184275 /nfs/dbraw/zinc/18/42/75/195184275.db2.gz GKALRFORMABAKC-UHFFFAOYSA-N 0 0 497.313 6.387 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000020610997 195184609 /nfs/dbraw/zinc/18/46/09/195184609.db2.gz CUXNFWBLOBOPBQ-ACCUITESSA-N 0 0 472.907 6.433 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc4nn(-c5ccc(F)cc5)nc4cc3C)o2)cc1Cl ZINC000020611138 195184855 /nfs/dbraw/zinc/18/48/55/195184855.db2.gz SPOQZTDPDHEQPZ-ZRDIBKRKSA-N 0 0 486.934 6.742 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(F)cc5)nc4cc3C)o2)cc1Cl ZINC000020611141 195184889 /nfs/dbraw/zinc/18/48/89/195184889.db2.gz VAHWLJYUUNWPHA-UHFFFAOYSA-N 0 0 460.896 6.342 40 0 JKABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000020611396 195185093 /nfs/dbraw/zinc/18/50/93/195185093.db2.gz CJFWLVXZZNPIRA-UHFFFAOYSA-N 0 0 460.342 5.936 40 0 JKABRN CCc1nc(SCc2ccc(NC(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)n[nH]1 ZINC000020611435 195185315 /nfs/dbraw/zinc/18/53/15/195185315.db2.gz DDZBDFKXWYPGCB-UHFFFAOYSA-N 0 0 456.930 5.964 40 0 JKABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020611609 195185515 /nfs/dbraw/zinc/18/55/15/195185515.db2.gz ZZDHSRPBMKHHQC-UHFFFAOYSA-N 0 0 461.743 5.451 40 0 JKABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)C(c1ccccc1)c1ccccc1 ZINC000020611571 195185650 /nfs/dbraw/zinc/18/56/50/195185650.db2.gz GQACREWISLZEIF-UHFFFAOYSA-N 0 0 451.364 5.056 40 0 JKABRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 ZINC000020632536 195191208 /nfs/dbraw/zinc/19/12/08/195191208.db2.gz OLZDWZIYJZNPQW-HNNXBMFYSA-N 0 0 455.370 5.636 40 0 JKABRN CCOC(=O)c1nnc2c(-c3cccc4ccccc43)c(C)nn2c1CSc1ccc(Cl)cc1 ZINC000020633632 195191463 /nfs/dbraw/zinc/19/14/63/195191463.db2.gz YIDIYSGVHRRHTA-UHFFFAOYSA-N 0 0 489.000 6.375 40 0 JKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(OCCC(C)C)c(OC)c2)C1C(=O)OCC ZINC000020633307 195191502 /nfs/dbraw/zinc/19/15/02/195191502.db2.gz VLRJAOJMLQVLJW-AREMUKBSSA-N 0 0 477.605 6.102 40 0 JKABRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 ZINC000020632620 195191549 /nfs/dbraw/zinc/19/15/49/195191549.db2.gz INJGUDDNTHDQIY-HNNXBMFYSA-N 0 0 455.370 5.636 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(OCc3ccccc3)cc2)[C@H](C(=O)OCC)C1=O ZINC000020638371 195192144 /nfs/dbraw/zinc/19/21/44/195192144.db2.gz DSCVVGWBISTSNT-SVBPBHIXSA-N 0 0 497.595 5.531 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)cc3C)c2C)c1-c1ccc(Br)cc1 ZINC000020672846 195199004 /nfs/dbraw/zinc/19/90/04/195199004.db2.gz SIKBBVLQTBCOJB-UHFFFAOYSA-N 0 0 464.367 5.294 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3Cl)c2C)c1-c1ccc(Br)cc1 ZINC000020672881 195199183 /nfs/dbraw/zinc/19/91/83/195199183.db2.gz FPZDTDVIIUBEMY-UHFFFAOYSA-N 0 0 470.758 5.330 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(OCCC(C)C)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675176 195200130 /nfs/dbraw/zinc/20/01/30/195200130.db2.gz NEHHOVIWUVKHMN-RPBOFIJWSA-N 0 0 477.605 5.377 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)OCC)C1=O ZINC000020675499 195200198 /nfs/dbraw/zinc/20/01/98/195200198.db2.gz YZTZMGTUGPFYEO-UXHICEINSA-N 0 0 460.361 5.259 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(OCCC)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675850 195200404 /nfs/dbraw/zinc/20/04/04/195200404.db2.gz YSEISVKWHOMFSO-DNQXCXABSA-N 0 0 463.578 5.131 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2cccc(Oc3ccccc3)c2)[C@H](C(=O)OCC)C1=O ZINC000020675823 195200419 /nfs/dbraw/zinc/20/04/19/195200419.db2.gz RMEQXVNEJWKDDZ-RRPNLBNLSA-N 0 0 497.595 6.134 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2cccc(Oc3ccccc3)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675826 195200424 /nfs/dbraw/zinc/20/04/24/195200424.db2.gz RMEQXVNEJWKDDZ-KAYWLYCHSA-N 0 0 497.595 6.134 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(OCCC(C)C)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675867 195200443 /nfs/dbraw/zinc/20/04/43/195200443.db2.gz SLULCXVOLZJUKL-FTJBHMTQSA-N 0 0 491.632 5.767 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2cccc(Oc3ccccc3)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675832 195200501 /nfs/dbraw/zinc/20/05/01/195200501.db2.gz RMEQXVNEJWKDDZ-SXOMAYOGSA-N 0 0 497.595 6.134 40 0 JKABRN O=C1C[C@H](c2ccc(F)cc2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000020671496 195198390 /nfs/dbraw/zinc/19/83/90/195198390.db2.gz KKUVZADMXJWKKN-OAHLLOKOSA-N 0 0 483.366 5.231 40 0 JKABRN CCCCOc1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672333 195198677 /nfs/dbraw/zinc/19/86/77/195198677.db2.gz JEMOQEQUPKMFFU-RUZDIDTESA-N 0 0 463.578 5.854 40 0 JKABRN CCCOc1ccc([C@@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672290 195198760 /nfs/dbraw/zinc/19/87/60/195198760.db2.gz ZKLILEMIDICUFU-RUZDIDTESA-N 0 0 463.578 5.856 40 0 JKABRN CCCOc1cccc([C@@H]2C(C(=O)OCC)C(c3ccccc3)=Nc3nc4ccccc4n32)c1 ZINC000020672382 195198793 /nfs/dbraw/zinc/19/87/93/195198793.db2.gz RXIXLPLLDSGRDO-AREMUKBSSA-N 0 0 453.542 5.814 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1cccc2ccccc21 ZINC000020672767 195198802 /nfs/dbraw/zinc/19/88/02/195198802.db2.gz WBYVWGLFAZGRDZ-UHFFFAOYSA-N 0 0 475.474 6.086 40 0 JKABRN CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)cc1 ZINC000020671793 195198826 /nfs/dbraw/zinc/19/88/26/195198826.db2.gz HACRIIMAVIFSMW-IBGZPJMESA-N 0 0 463.006 6.106 40 0 JKABRN Cc1ccc(-c2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc3c2CCCC3)cc1 ZINC000020798152 195226446 /nfs/dbraw/zinc/22/64/46/195226446.db2.gz FXCUDJAEXPLDCM-UHFFFAOYSA-N 0 0 452.524 5.676 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2cccc3ccccc32)[C@H](C(=O)OCC)C1=O ZINC000020801953 195227178 /nfs/dbraw/zinc/22/71/78/195227178.db2.gz ANOVXIQBQKLWGZ-DQEYMECFSA-N 0 0 455.558 5.495 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)OCC)C1=O ZINC000020802000 195227406 /nfs/dbraw/zinc/22/74/06/195227406.db2.gz WXDXHHHJTHBFCC-SFTDATJTSA-N 0 0 474.388 5.649 40 0 JKABRN Cc1ccc(NC(=O)CSc2nc3cc(Br)ccc3[nH]2)cc1Br ZINC000020765332 195221069 /nfs/dbraw/zinc/22/10/69/195221069.db2.gz UKJNMLVWJZAIIZ-UHFFFAOYSA-N 0 0 455.175 5.127 40 0 JKABRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 ZINC000020765707 195221076 /nfs/dbraw/zinc/22/10/76/195221076.db2.gz LOHAIYZTIOUCOR-UHFFFAOYSA-N 0 0 461.370 5.387 40 0 JKABRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc21 ZINC000020765872 195221095 /nfs/dbraw/zinc/22/10/95/195221095.db2.gz ZOOOOJBVDLBYSE-UHFFFAOYSA-N 0 0 482.605 5.348 40 0 JKABRN O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 ZINC000020766457 195221602 /nfs/dbraw/zinc/22/16/02/195221602.db2.gz RNPCVWIENYGBJY-UHFFFAOYSA-N 0 0 495.815 6.041 40 0 JKABRN O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)NC3CCCCCCC3)ccc21 ZINC000020766627 195221981 /nfs/dbraw/zinc/22/19/81/195221981.db2.gz VMPKVSURANTYNR-UHFFFAOYSA-N 0 0 461.027 5.324 40 0 JKABRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000020766780 195222014 /nfs/dbraw/zinc/22/20/14/195222014.db2.gz YSHACAGWTNLAFW-UHFFFAOYSA-N 0 0 452.551 5.343 40 0 JKABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000020766835 195222125 /nfs/dbraw/zinc/22/21/25/195222125.db2.gz OERLYYWIDKQEHL-UHFFFAOYSA-N 0 0 479.360 5.526 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1Cl ZINC000020766823 195222204 /nfs/dbraw/zinc/22/22/04/195222204.db2.gz LPHGKVUBWQHBOY-UHFFFAOYSA-N 0 0 458.942 5.181 40 0 JKABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 ZINC000020766827 195222222 /nfs/dbraw/zinc/22/22/22/195222222.db2.gz AQMXMVBJUJQMEI-UHFFFAOYSA-N 0 0 479.360 5.526 40 0 JKABRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 ZINC000020767170 195222402 /nfs/dbraw/zinc/22/24/02/195222402.db2.gz RZACXVIPRBPKSY-UHFFFAOYSA-N 0 0 461.370 5.387 40 0 JKABRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 ZINC000020767166 195222490 /nfs/dbraw/zinc/22/24/90/195222490.db2.gz CRHAJLXCRCCXPX-UHFFFAOYSA-N 0 0 461.370 5.387 40 0 JKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767134 195222496 /nfs/dbraw/zinc/22/24/96/195222496.db2.gz RULMUGLCKUXXLA-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767341 195222892 /nfs/dbraw/zinc/22/28/92/195222892.db2.gz ZINMHSBODPQHEU-UHFFFAOYSA-N 0 0 483.033 6.076 40 0 JKABRN O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 ZINC000020796219 195225866 /nfs/dbraw/zinc/22/58/66/195225866.db2.gz DCGGVXFNPPDAJU-OAHLLOKOSA-N 0 0 455.370 5.636 40 0 JKABRN O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 ZINC000020796342 195225873 /nfs/dbraw/zinc/22/58/73/195225873.db2.gz CWPCDLKTHPLPQJ-HNNXBMFYSA-N 0 0 455.370 5.636 40 0 JKABRN O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 ZINC000020796327 195225903 /nfs/dbraw/zinc/22/59/03/195225903.db2.gz KXXYJOTUGGSLFW-HNNXBMFYSA-N 0 0 455.370 5.636 40 0 JKABRN CSc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797411 195225956 /nfs/dbraw/zinc/22/59/56/195225956.db2.gz PCTODBIPCONZAD-HSZRJFAPSA-N 0 0 460.990 6.339 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Br)c2)n2c3ccccc3nc2N1 ZINC000020797288 195226087 /nfs/dbraw/zinc/22/60/87/195226087.db2.gz CJIAOBYMCLBOSF-JOCHJYFZSA-N 0 0 459.347 5.726 40 0 JKABRN COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1OC ZINC000020797552 195226117 /nfs/dbraw/zinc/22/61/17/195226117.db2.gz XKJJGQGRVINBAY-DEOSSOPVSA-N 0 0 474.948 5.635 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020970025 195257411 /nfs/dbraw/zinc/25/74/11/195257411.db2.gz FWUFWIYIJNVVLQ-MHZLTWQESA-N 0 0 450.586 6.650 40 0 JKABRN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 ZINC000020969997 195257434 /nfs/dbraw/zinc/25/74/34/195257434.db2.gz QVGSKNJQMQAWAN-JOCHJYFZSA-N 0 0 482.893 6.636 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc2c(c1)OCO2 ZINC000020968807 195257439 /nfs/dbraw/zinc/25/74/39/195257439.db2.gz RCGRGPUAQNEZBE-UHFFFAOYSA-N 0 0 496.342 5.113 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(SC)cc2)cc1 ZINC000020970037 195257449 /nfs/dbraw/zinc/25/74/49/195257449.db2.gz HLXYSBDRMCZEOF-RUZDIDTESA-N 0 0 454.599 6.248 40 0 JKABRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(SC)cc2)cc1 ZINC000020970251 195257679 /nfs/dbraw/zinc/25/76/79/195257679.db2.gz BZZSNRXILHFNCI-DEOSSOPVSA-N 0 0 456.571 5.694 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000020970224 195257708 /nfs/dbraw/zinc/25/77/08/195257708.db2.gz BIZMYHZASSIXMU-RUZDIDTESA-N 0 0 454.530 5.241 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020970220 195257718 /nfs/dbraw/zinc/25/77/18/195257718.db2.gz SRFFTFBLSHASIN-SANMLTNESA-N 0 0 468.557 5.544 40 0 JKABRN CCOc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000021005528 195265647 /nfs/dbraw/zinc/26/56/47/195265647.db2.gz MPCPEISHFGQSAF-DEOSSOPVSA-N 0 0 458.949 6.016 40 0 JKABRN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000021005519 195265698 /nfs/dbraw/zinc/26/56/98/195265698.db2.gz BHOJTZNKSSFECF-XMMPIXPASA-N 0 0 474.948 5.722 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1OC ZINC000021005600 195265845 /nfs/dbraw/zinc/26/58/45/195265845.db2.gz IQGIENZPNDQTDF-XMMPIXPASA-N 0 0 455.514 5.043 40 0 JKABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl ZINC000021005649 195265956 /nfs/dbraw/zinc/26/59/56/195265956.db2.gz PZPLPSCMJLJNDQ-DEOSSOPVSA-N 0 0 459.933 5.688 40 0 JKABRN CCOC(=O)C1C(c2ccc(F)cc2)=Nc2nc3ccccc3n2[C@H]1c1cccc(Br)c1 ZINC000021005767 195265995 /nfs/dbraw/zinc/26/59/95/195265995.db2.gz NVHGWZYJHVFURC-QHCPKHFHSA-N 0 0 492.348 5.927 40 0 JKABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCC)cc1 ZINC000021005712 195266028 /nfs/dbraw/zinc/26/60/28/195266028.db2.gz NRWBZLCTSXCBRM-SANMLTNESA-N 0 0 469.541 5.433 40 0 JKABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(OCC)c1 ZINC000021005699 195266046 /nfs/dbraw/zinc/26/60/46/195266046.db2.gz YZKJRYBJFRFOTD-SANMLTNESA-N 0 0 485.540 5.139 40 0 JKABRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 ZINC000021123662 195279573 /nfs/dbraw/zinc/27/95/73/195279573.db2.gz NAXYTPBQFBXDAQ-NTEUORMPSA-N 0 0 490.401 5.063 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000021123610 195279690 /nfs/dbraw/zinc/27/96/90/195279690.db2.gz ZTKWGFIOVJHFKN-WEVVVXLNSA-N 0 0 494.850 5.993 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc5ccccc5cc4OC)cc3)CC2)cc1 ZINC000021123941 195279885 /nfs/dbraw/zinc/27/98/85/195279885.db2.gz VWHWZKFZPXNXFA-UHFFFAOYSA-N 0 0 493.607 5.626 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Br)cc4)cc3)CC2)cc1 ZINC000021123819 195279906 /nfs/dbraw/zinc/27/99/06/195279906.db2.gz AUBJIHFVJAIXIW-UHFFFAOYSA-N 0 0 492.417 5.226 40 0 JKABRN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 ZINC000021123689 195279916 /nfs/dbraw/zinc/27/99/16/195279916.db2.gz YZHQZWSMANFJQI-LFIBNONCSA-N 0 0 469.585 5.088 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1 ZINC000021123894 195279939 /nfs/dbraw/zinc/27/99/39/195279939.db2.gz JBFIABCDASLJKA-IBGZPJMESA-N 0 0 486.056 5.566 40 0 JKABRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000021124410 195280345 /nfs/dbraw/zinc/28/03/45/195280345.db2.gz FELUMIUZAHOGQN-AWNIVKPZSA-N 0 0 480.395 5.608 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2Cl)CC1 ZINC000021124511 195280421 /nfs/dbraw/zinc/28/04/21/195280421.db2.gz YZFFKHJNULNINX-UHFFFAOYSA-N 0 0 478.818 5.050 40 0 JKABRN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(CC)cc4)CC3)cc2)cc1 ZINC000021124696 195280451 /nfs/dbraw/zinc/28/04/51/195280451.db2.gz LILSVMZUWMFPHL-UHFFFAOYSA-N 0 0 471.601 5.253 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)CC2)cc1 ZINC000021124413 195280490 /nfs/dbraw/zinc/28/04/90/195280490.db2.gz JLBNSGLXVREUTC-UHFFFAOYSA-N 0 0 482.411 5.771 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000021124538 195280506 /nfs/dbraw/zinc/28/05/06/195280506.db2.gz YEAVZQQCLAYHKG-UHFFFAOYSA-N 0 0 484.427 6.094 40 0 JKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000021124727 195280510 /nfs/dbraw/zinc/28/05/10/195280510.db2.gz GSHSYMVPJTUJAO-LFIBNONCSA-N 0 0 491.591 5.463 40 0 JKABRN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000021124752 195280642 /nfs/dbraw/zinc/28/06/42/195280642.db2.gz FLQJOPNKTYKPAQ-CAOOACKPSA-N 0 0 469.585 5.088 40 0 JKABRN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)c1 ZINC000021124805 195280666 /nfs/dbraw/zinc/28/06/66/195280666.db2.gz XYYDSKQROMTYDG-UHFFFAOYSA-N 0 0 458.002 5.076 40 0 JKABRN C[C@H]1C[C@@H](N(C(=O)/C=C/c2ccco2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000021266943 195292713 /nfs/dbraw/zinc/29/27/13/195292713.db2.gz ADOXIBBDXQAYPE-SNJLUGBASA-N 0 0 452.510 6.099 40 0 JKABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000021281375 195292910 /nfs/dbraw/zinc/29/29/10/195292910.db2.gz ARGFLZAFZVVMDM-ROUUACIJSA-N 0 0 455.027 5.393 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)c(C)c1 ZINC000021285642 195293353 /nfs/dbraw/zinc/29/33/53/195293353.db2.gz LMDNXFSUJBFCBR-UHFFFAOYSA-N 0 0 463.006 5.859 40 0 JKABRN CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000021305695 195293772 /nfs/dbraw/zinc/29/37/72/195293772.db2.gz LITPOBOVXSDFRK-UHFFFAOYSA-N 0 0 479.385 5.834 40 0 JKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c(C)c1 ZINC000021306461 195294005 /nfs/dbraw/zinc/29/40/05/195294005.db2.gz WYQRQTNYWZPSKD-MRXNPFEDSA-N 0 0 493.412 5.817 40 0 JKABRN O=C1NC(=S)SC1=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000058822130 195380408 /nfs/dbraw/zinc/38/04/08/195380408.db2.gz MIOBTNOBDJVJJL-UUASQNMZSA-N 0 0 475.216 6.664 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC=C(c4ccc(F)cc4)CC3)cc12 ZINC000057589855 195351814 /nfs/dbraw/zinc/35/18/14/195351814.db2.gz VVFQUVKEVKJLMA-MHZLTWQESA-N 0 0 498.606 5.264 40 0 JKABRN Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000057608747 195353525 /nfs/dbraw/zinc/35/35/25/195353525.db2.gz POTDIQBUAMHZLB-SANMLTNESA-N 0 0 496.615 5.271 40 0 JKABRN Clc1ccc([C@@H](c2nnnn2C2CCCCC2)N(Cc2ccco2)Cc2cccnc2)cc1 ZINC000057613990 195353606 /nfs/dbraw/zinc/35/36/06/195353606.db2.gz PKCNPABXYDNWKF-DEOSSOPVSA-N 0 0 462.985 5.612 40 0 JKABRN Fc1ccc(Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000057613863 195353689 /nfs/dbraw/zinc/35/36/89/195353689.db2.gz UHPBKULJGNJPLZ-VWLOTQADSA-N 0 0 477.946 5.532 40 0 aggregator JKABRN CCOc1ccc(CN(Cc2ccco2)[C@@H](c2cccs2)c2nnnn2C(C)(C)C)cc1 ZINC000057614213 195353833 /nfs/dbraw/zinc/35/38/33/195353833.db2.gz XZDFNIDCZGYSMU-QFIPXVFZSA-N 0 0 451.596 5.273 40 0 JKABRN Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000057614172 195353879 /nfs/dbraw/zinc/35/38/79/195353879.db2.gz UAHCTATXPWTQIH-GOTSBHOMSA-N 0 0 454.018 5.161 40 0 JKABRN Cc1ccc([C@H](c2nnnn2C(C)(C)C)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000057614175 195353927 /nfs/dbraw/zinc/35/39/27/195353927.db2.gz UAHCTATXPWTQIH-XZOQPEGZSA-N 0 0 454.018 5.161 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640657 195354035 /nfs/dbraw/zinc/35/40/35/195354035.db2.gz GIRALDRALDVPBT-AREMUKBSSA-N 0 0 486.664 5.684 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640582 195354240 /nfs/dbraw/zinc/35/42/40/195354240.db2.gz UTCMMAUCKLENEA-SANMLTNESA-N 0 0 470.621 5.346 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640704 195354539 /nfs/dbraw/zinc/35/45/39/195354539.db2.gz KJACRMNKCDHNST-XMMPIXPASA-N 0 0 476.600 5.261 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640808 195354776 /nfs/dbraw/zinc/35/47/76/195354776.db2.gz GWSCFCWWTIDSCR-MUUNZHRXSA-N 0 0 492.627 5.333 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640973 195355011 /nfs/dbraw/zinc/35/50/11/195355011.db2.gz YYQJATKJJQZHJT-DEOSSOPVSA-N 0 0 492.649 5.243 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641548 195355518 /nfs/dbraw/zinc/35/55/18/195355518.db2.gz FZJRHJABMWLOSF-MHZLTWQESA-N 0 0 484.648 5.708 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641496 195355551 /nfs/dbraw/zinc/35/55/51/195355551.db2.gz YKQXRXGLKIDTDP-RUZDIDTESA-N 0 0 490.677 5.852 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641989 195355802 /nfs/dbraw/zinc/35/58/02/195355802.db2.gz XBNNDNIGELJKQY-DEOSSOPVSA-N 0 0 490.627 5.569 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641994 195355835 /nfs/dbraw/zinc/35/58/35/195355835.db2.gz XBNNDNIGELJKQY-XMMPIXPASA-N 0 0 490.627 5.569 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cccnc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641728 195355973 /nfs/dbraw/zinc/35/59/73/195355973.db2.gz CCTZSTAKRSYNHU-AREMUKBSSA-N 0 0 485.636 5.185 40 0 JKABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641695 195356040 /nfs/dbraw/zinc/35/60/40/195356040.db2.gz BBFOWOUAWORALJ-AREMUKBSSA-N 0 0 488.611 5.539 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641661 195356064 /nfs/dbraw/zinc/35/60/64/195356064.db2.gz GPGGOJMBPFYHDA-RUZDIDTESA-N 0 0 490.627 5.569 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641832 195356070 /nfs/dbraw/zinc/35/60/70/195356070.db2.gz WFJQYAYZLCZUPA-SANMLTNESA-N 0 0 486.664 5.738 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641715 195356105 /nfs/dbraw/zinc/35/61/05/195356105.db2.gz CGIVCAUWNWZGMU-MHZLTWQESA-N 0 0 484.648 5.790 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642016 195356267 /nfs/dbraw/zinc/35/62/67/195356267.db2.gz CCLILKMEGMYCBB-VWLOTQADSA-N 0 0 485.636 5.185 40 0 JKABRN 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40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccccc1 ZINC000020453890 525368180 /nfs/dbraw/zinc/36/81/80/525368180.db2.gz DLZQDMYYVMINHW-SANMLTNESA-N 0 0 485.049 5.409 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccccc1 ZINC000020456174 525370256 /nfs/dbraw/zinc/37/02/56/525370256.db2.gz GQSIXBDSDRNJKE-DVECYGJZSA-N 0 0 471.022 5.017 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000044886299 525372620 /nfs/dbraw/zinc/37/26/20/525372620.db2.gz QURKTSUFXOBYNI-SANMLTNESA-N 0 0 491.012 5.969 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000020487761 525372846 /nfs/dbraw/zinc/37/28/46/525372846.db2.gz PUWOOCHKSHIYDJ-MHZLTWQESA-N 0 0 470.594 5.624 40 0 JKABRN COc1ccc([C@H](Nc2ccccc2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1OC ZINC000026770869 525376481 /nfs/dbraw/zinc/37/64/81/525376481.db2.gz IXSVFFNOQNRHQC-SANMLTNESA-N 0 0 472.610 6.836 40 0 JKABRN Cc1cc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc(C)c1Cl ZINC000044902280 525381920 /nfs/dbraw/zinc/38/19/20/525381920.db2.gz DKQQYLKKLMYEJS-LJQANCHMSA-N 0 0 464.005 6.891 40 0 JKABRN CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]3c4cccc(O)c4O[C@](C)(CCc4ccccc4)[C@H]3C[C@@H]2C1 ZINC000095951580 534854260 /nfs/dbraw/zinc/85/42/60/534854260.db2.gz CBUOMAVXCXEYDS-AVQDPAIZSA-N 0 0 479.617 5.879 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000044904918 525423308 /nfs/dbraw/zinc/42/33/08/525423308.db2.gz LKENWHOBGWKONX-AREMUKBSSA-N 0 0 497.060 5.096 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 ZINC000020485555 525424665 /nfs/dbraw/zinc/42/46/65/525424665.db2.gz MEBUCGPXEMIIHT-MUUNZHRXSA-N 0 0 470.594 5.343 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000044842651 525426276 /nfs/dbraw/zinc/42/62/76/525426276.db2.gz TVOCDQMBHVCZGS-MUUNZHRXSA-N 0 0 488.584 5.235 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000020487764 525427011 /nfs/dbraw/zinc/42/70/11/525427011.db2.gz PUWOOCHKSHIYDJ-HHHXNRCGSA-N 0 0 470.594 5.624 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1 ZINC000044900674 525427561 /nfs/dbraw/zinc/42/75/61/525427561.db2.gz XJUCAILAGKVINF-HHHXNRCGSA-N 0 0 470.594 5.624 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000044884022 525428095 /nfs/dbraw/zinc/42/80/95/525428095.db2.gz OODKZFNVFWCEML-RUZDIDTESA-N 0 0 476.623 5.401 40 0 JKABRN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000012420572 525434936 /nfs/dbraw/zinc/43/49/36/525434936.db2.gz VVNRXHLRZKJTDX-IGKWTDBASA-N 0 0 463.405 5.309 40 0 JKABRN COc1ccc2[nH]cc(CCn3ccc4c(cnc5c(-c6ccc(Cl)cc6)cnn54)c3=O)c2c1 ZINC000040397333 525495284 /nfs/dbraw/zinc/49/52/84/525495284.db2.gz ZBDYTOHUWKLAIV-UHFFFAOYSA-N 0 0 469.932 5.097 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1 ZINC000028048347 525498419 /nfs/dbraw/zinc/49/84/19/525498419.db2.gz JDUBFLZEONIRMG-UHFFFAOYSA-N 0 0 478.795 5.467 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2cccc(Cl)c2C)cc1 ZINC000020453072 525503667 /nfs/dbraw/zinc/50/36/67/525503667.db2.gz LDLWKZRLXJVGHB-UHFFFAOYSA-N 0 0 491.440 5.464 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000020486721 525506746 /nfs/dbraw/zinc/50/67/46/525506746.db2.gz KRXCIHUWPDFXMM-VWLOTQADSA-N 0 0 485.049 5.747 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccccc2C)cc1 ZINC000022430156 525506835 /nfs/dbraw/zinc/50/68/35/525506835.db2.gz UVYANQNEDWDMIQ-VWLOTQADSA-N 0 0 464.631 5.402 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000020494911 525507024 /nfs/dbraw/zinc/50/70/24/525507024.db2.gz AYBQNQBJEZMJJL-SFHVURJKSA-N 0 0 474.985 5.169 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2cccc(Cl)c2C)cc1 ZINC000022431903 525507564 /nfs/dbraw/zinc/50/75/64/525507564.db2.gz VYIUTJMOQPMWLP-SFHVURJKSA-N 0 0 474.985 5.169 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccccc2Cl)cc1 ZINC000022430819 525507872 /nfs/dbraw/zinc/50/78/72/525507872.db2.gz OEGJULSNHSASQG-DEOSSOPVSA-N 0 0 485.049 5.747 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2cccc(Cl)c2C)cc1 ZINC000022431909 525508114 /nfs/dbraw/zinc/50/81/14/525508114.db2.gz SPQTWBTXTDJFLP-VWLOTQADSA-N 0 0 499.076 6.056 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000020494908 525508701 /nfs/dbraw/zinc/50/87/01/525508701.db2.gz AYBQNQBJEZMJJL-GOSISDBHSA-N 0 0 474.985 5.169 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2cc(Cl)ccc2C)cc1 ZINC000020482769 525509436 /nfs/dbraw/zinc/50/94/36/525509436.db2.gz PHBIWDIPIPXOGJ-RUZDIDTESA-N 0 0 499.076 6.056 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)Oc3ccccc3)cc2)c2ccc(C)cc2C)cc1 ZINC000024522637 525512674 /nfs/dbraw/zinc/51/26/74/525512674.db2.gz QKURYZLAFBOXRV-UHFFFAOYSA-N 0 0 485.605 6.227 40 0 JKABRN C[C@@H]1Cc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449542 525519462 /nfs/dbraw/zinc/51/94/62/525519462.db2.gz RQFGTEGORBSTGE-CYBMUJFWSA-N 0 0 479.360 5.525 40 0 JKABRN C[C@@H]1Cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449563 525520225 /nfs/dbraw/zinc/52/02/25/525520225.db2.gz RENLCDYGWBMULD-CQSZACIVSA-N 0 0 478.467 5.237 40 0 JKABRN Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000045890492 525524722 /nfs/dbraw/zinc/52/47/22/525524722.db2.gz SPLGFFWFPKWJJA-UHFFFAOYSA-N 0 0 466.988 5.970 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)c(Cl)c2)cc1 ZINC000020454845 525599395 /nfs/dbraw/zinc/59/93/95/525599395.db2.gz LSJLWXVVUDCOFD-UHFFFAOYSA-N 0 0 453.322 5.494 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3ccccc3C)c(Cl)c2)cc1 ZINC000044903349 525599561 /nfs/dbraw/zinc/59/95/61/525599561.db2.gz IXEHOFSOJWAIPJ-UHFFFAOYSA-N 0 0 489.062 5.421 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)c(Cl)c2)cc1 ZINC000020462166 525599938 /nfs/dbraw/zinc/59/99/38/525599938.db2.gz UJJKUODDFUANEX-DEOSSOPVSA-N 0 0 471.022 5.966 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)c(Cl)c2)cc1 ZINC000044902888 525600467 /nfs/dbraw/zinc/60/04/67/525600467.db2.gz JUDHAEVWISCZMO-UHFFFAOYSA-N 0 0 458.967 5.489 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3ccccc3F)c(Cl)c2)cc1 ZINC000020452952 525600810 /nfs/dbraw/zinc/60/08/10/525600810.db2.gz YXWHBSBWHXQEDL-UHFFFAOYSA-N 0 0 493.025 5.252 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccccc3Cl)cc2Cl)cc1 ZINC000020460560 525601000 /nfs/dbraw/zinc/60/10/00/525601000.db2.gz NQVPPYHZXGLLOR-UHFFFAOYSA-N 0 0 477.413 5.465 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)c(Cl)c2)cc1 ZINC000020492433 525601481 /nfs/dbraw/zinc/60/14/81/525601481.db2.gz XMNMMSVRQZVMKB-GOSISDBHSA-N 0 0 456.995 5.557 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc2C)cc1 ZINC000020489911 525601602 /nfs/dbraw/zinc/60/16/02/525601602.db2.gz WROHESRYQDPEJU-VWLOTQADSA-N 0 0 450.604 5.621 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC(c3ccccc3)c3ccccc3)c2)cc1 ZINC000020490553 525602721 /nfs/dbraw/zinc/60/27/21/525602721.db2.gz KVKCFVXCVWXMRS-UHFFFAOYSA-N 0 0 491.012 5.969 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)c(Cl)c2)cc1 ZINC000044883804 525604026 /nfs/dbraw/zinc/60/40/26/525604026.db2.gz AKEPRYMOQLVSQO-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](CC(C)C)c3ccccc3)c2C)cc1 ZINC000030755643 525611773 /nfs/dbraw/zinc/61/17/73/525611773.db2.gz MNHFCNGPNCSXKJ-RUZDIDTESA-N 0 0 450.604 5.621 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)c2)cc1 ZINC000020482319 525613411 /nfs/dbraw/zinc/61/34/11/525613411.db2.gz LQCJOWCGXRWNNN-MHZLTWQESA-N 0 0 470.594 5.624 40 0 JKABRN Cc1ccc(SCc2nn(CC(=O)Nc3ccccc3C)c(=S)n2-c2ccccc2)cc1 ZINC000016769385 525664616 /nfs/dbraw/zinc/66/46/16/525664616.db2.gz HRHZGKZCLICWGO-UHFFFAOYSA-N 0 0 460.628 5.951 40 0 JKABRN Cc1ccc(SCc2nn(CC(=O)Nc3c(C)cc(C)cc3C)c(=S)n2-c2ccccc2)cc1 ZINC000016769389 525665215 /nfs/dbraw/zinc/66/52/15/525665215.db2.gz VCYHIKZPTISSFW-UHFFFAOYSA-N 0 0 488.682 6.568 40 0 JKABRN Cc1cc2nc(N)sc2c(C)c1NC(=O)COc1c(C)cc(Br)cc1Br ZINC000045890367 525677828 /nfs/dbraw/zinc/67/78/28/525677828.db2.gz OOOHBYAWGTXOCK-UHFFFAOYSA-N 0 0 499.228 5.346 40 0 JKABRN COc1ccc2[nH]c(SCc3ncc(COC(=O)c4ccccc4C)c(OC)c3C)nc2c1 ZINC000044136646 525680352 /nfs/dbraw/zinc/68/03/52/525680352.db2.gz LQJIZEQSBXNIDM-UHFFFAOYSA-N 0 0 463.559 5.241 40 0 in-vitro JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000044904850 525694387 /nfs/dbraw/zinc/69/43/87/525694387.db2.gz YUOZBKSKZYCCKT-LJQANCHMSA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428286 525694640 /nfs/dbraw/zinc/69/46/40/525694640.db2.gz OGVONVDXJGLRJG-OAQYLSRUSA-N 0 0 450.604 5.191 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022429505 525695127 /nfs/dbraw/zinc/69/51/27/525695127.db2.gz OWXKBHSOXFRKPP-LJQANCHMSA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000044900844 525714322 /nfs/dbraw/zinc/71/43/22/525714322.db2.gz JEOTWVMCYGITIB-MSOLQXFVSA-N 0 0 483.461 5.029 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020457612 525717418 /nfs/dbraw/zinc/71/74/18/525717418.db2.gz KKRCMJJYWPFDOA-XMMPIXPASA-N 0 0 498.648 6.190 40 0 JKABRN COc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccncc2)c1 ZINC000028047413 525748819 /nfs/dbraw/zinc/74/88/19/525748819.db2.gz UIQCMDNXCRJOGH-UHFFFAOYSA-N 0 0 465.966 5.031 40 0 JKABRN Cc1ccc([C@@H](NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000022427870 525768662 /nfs/dbraw/zinc/76/86/62/525768662.db2.gz UWIRACPBPCIDJO-LJAQVGFWSA-N 0 0 484.621 5.405 40 0 JKABRN Cc1ccc([C@@H](NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c2ccccc2)cc1 ZINC000022523630 525768688 /nfs/dbraw/zinc/76/86/88/525768688.db2.gz MVCUTBVXGJKDAZ-NDEPHWFRSA-N 0 0 470.594 5.343 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c2ccccc2)cc1 ZINC000020453082 525769608 /nfs/dbraw/zinc/76/96/08/525769608.db2.gz IKOADQAWIWHZAA-MHZLTWQESA-N 0 0 476.642 5.388 40 0 JKABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020484815 525770304 /nfs/dbraw/zinc/77/03/04/525770304.db2.gz TWRNWRSVCIWODE-DVECYGJZSA-N 0 0 471.022 5.017 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c2ccccc2)cc1 ZINC000020459508 525770920 /nfs/dbraw/zinc/77/09/20/525770920.db2.gz MXMSIIVZJWIGRG-MHZLTWQESA-N 0 0 476.642 5.243 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020461005 525773554 /nfs/dbraw/zinc/77/35/54/525773554.db2.gz PZETULBJTIPHLF-NDEPHWFRSA-N 0 0 484.621 5.481 40 0 JKABRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000022534585 525823729 /nfs/dbraw/zinc/82/37/29/525823729.db2.gz GEAYKRJFQCXMAW-UHFFFAOYSA-N 0 0 452.766 6.404 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000020492706 525886044 /nfs/dbraw/zinc/88/60/44/525886044.db2.gz UYYNHOCDHCDFAH-KRWDZBQOSA-N 0 0 483.461 5.029 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022429922 525888618 /nfs/dbraw/zinc/88/86/18/525888618.db2.gz LSORLIZVFKYYKI-KRWDZBQOSA-N 0 0 477.413 5.375 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020452388 525890707 /nfs/dbraw/zinc/89/07/07/525890707.db2.gz HTTGGTZXVNWSAP-IBGZPJMESA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nn(CC(=O)Nc3cccc(C)c3C)c2=S)cc1 ZINC000016769297 525891871 /nfs/dbraw/zinc/89/18/71/525891871.db2.gz LQWPFDGTIRWAFX-UHFFFAOYSA-N 0 0 497.451 6.941 40 0 JKABRN Cc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nn(CC(=O)Nc3ccc(C)cc3C)c2=S)cc1 ZINC000016769289 525893036 /nfs/dbraw/zinc/89/30/36/525893036.db2.gz QMRKYYUYDGCUFF-UHFFFAOYSA-N 0 0 497.451 6.941 40 0 JKABRN Cc1ccc(-n2c(COc3ccccc3)nn(CC(=O)Nc3ccc(C)cc3C)c2=S)cc1 ZINC000016769130 525897612 /nfs/dbraw/zinc/89/76/12/525897612.db2.gz YZKJMROHTNLTLN-UHFFFAOYSA-N 0 0 458.587 5.546 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000044899729 525910202 /nfs/dbraw/zinc/91/02/02/525910202.db2.gz IRYGCDRIPFFBIP-DEOSSOPVSA-N 0 0 498.648 6.190 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c(C)c1 ZINC000044899690 525912489 /nfs/dbraw/zinc/91/24/89/525912489.db2.gz LXCLPZLJUUCZHI-RBTNQOKQSA-N 0 0 458.627 5.611 40 0 JKABRN C[C@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466513 525937849 /nfs/dbraw/zinc/93/78/49/525937849.db2.gz RTXAFYVWLFPEQA-VWOBZOPYSA-N 0 0 482.709 5.170 40 0 biogenic,in-vitro JKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000020492961 525941164 /nfs/dbraw/zinc/94/11/64/525941164.db2.gz LGRPFUPBASQWMC-CQSZACIVSA-N 0 0 465.358 5.200 40 0 JKABRN Cc1ccc([C@H](NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000022427798 525964457 /nfs/dbraw/zinc/96/44/57/525964457.db2.gz ALKKNVMPRZNMCQ-MUUNZHRXSA-N 0 0 470.594 5.096 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020461006 525968681 /nfs/dbraw/zinc/96/86/81/525968681.db2.gz PZETULBJTIPHLF-MUUNZHRXSA-N 0 0 484.621 5.481 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c2ccccc2)cc1 ZINC000022522491 525968784 /nfs/dbraw/zinc/96/87/84/525968784.db2.gz WQPKTEUMJWLMQY-AREMUKBSSA-N 0 0 491.012 5.969 40 0 JKABRN Cc1c2oc(-c3cccc(Cl)c3Cl)nc2c(Br)c(N)c1Br ZINC000020343598 525997462 /nfs/dbraw/zinc/99/74/62/525997462.db2.gz KFUNASNMIIGLQV-UHFFFAOYSA-N 0 0 450.945 6.217 40 0 JKABRN Cc1c2oc(-c3cccc4c(Cl)cccc34)nc2c(Br)c(N)c1Br ZINC000073639370 525997821 /nfs/dbraw/zinc/99/78/21/525997821.db2.gz NFYOPWOFZOVIHV-UHFFFAOYSA-N 0 0 466.560 6.717 40 0 JKABRN Cc1c2oc(-c3cccc(C(F)(F)F)c3)nc2c(Br)c(N)c1Br ZINC000020343595 525998011 /nfs/dbraw/zinc/99/80/11/525998011.db2.gz PSPLITDKEZYSAZ-UHFFFAOYSA-N 0 0 450.052 5.929 40 0 JKABRN Cc1ccc(C(=C2[C@@H]3C=C[C@H]2[C@H]2C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)c2ccc(C)cc2)cc1 ZINC000016291667 526011909 /nfs/dbraw/zinc/01/19/09/526011909.db2.gz HDSSIKKOKLEAJW-WKWYISCVSA-N 0 0 499.532 6.746 40 0 JKABRN COc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4Cl)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000009291129 526141276 /nfs/dbraw/zinc/14/12/76/526141276.db2.gz XXABJDWWKJLUQA-FSSWDIPSSA-N 0 0 469.324 5.053 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c(Cl)c1 ZINC000022743505 526143554 /nfs/dbraw/zinc/14/35/54/526143554.db2.gz VYAWCXVKMVTVOS-UHFFFAOYSA-N 0 0 486.000 5.971 40 0 JKABRN Cc1cc(Br)c(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)cc1C ZINC000022573039 526152553 /nfs/dbraw/zinc/15/25/53/526152553.db2.gz KDIXQLAYCGYCJV-UHFFFAOYSA-N 0 0 464.157 5.234 40 0 JKABRN Cc1cc(Br)ccc1NC(=O)Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S ZINC000016777978 526170445 /nfs/dbraw/zinc/17/04/45/526170445.db2.gz HGNGMCVXZGQBEC-UHFFFAOYSA-N 0 0 474.428 5.284 40 0 JKABRN COc1cccc(NC(=O)Cn2nc(CNc3cccc(Cl)c3C)n(-c3ccccc3)c2=S)c1 ZINC000016769457 526184186 /nfs/dbraw/zinc/18/41/86/526184186.db2.gz GDJRVEIGZMFEEQ-UHFFFAOYSA-N 0 0 494.020 5.625 40 0 JKABRN Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1NS(=O)(=O)c1ccccc1 ZINC000020492608 526198180 /nfs/dbraw/zinc/19/81/80/526198180.db2.gz HZRTZAKGLVSCBQ-MHZLTWQESA-N 0 0 470.594 5.624 40 0 JKABRN COc1cccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(OC)c(C)c4)ccc3s2)c1 ZINC000020448033 526202715 /nfs/dbraw/zinc/20/27/15/526202715.db2.gz CYXMGQFIJWXOLU-UHFFFAOYSA-N 0 0 496.610 5.304 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000022740775 526215656 /nfs/dbraw/zinc/21/56/56/526215656.db2.gz IBFCEEZZTIIPPV-UHFFFAOYSA-N 0 0 483.549 5.792 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000022743349 526215899 /nfs/dbraw/zinc/21/58/99/526215899.db2.gz QNWZXQGUSVFTOL-UHFFFAOYSA-N 0 0 485.924 5.431 40 0 JKABRN COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 ZINC000022745846 526218869 /nfs/dbraw/zinc/21/88/69/526218869.db2.gz BGPBKYDHEJXJJO-UHFFFAOYSA-N 0 0 487.737 6.180 40 0 JKABRN COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000022530988 526218893 /nfs/dbraw/zinc/21/88/93/526218893.db2.gz CUGZMGQPNPULDD-UHFFFAOYSA-N 0 0 450.922 6.541 40 0 JKABRN COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cc(Cl)cc(Cl)c3o2)ccc1C ZINC000022563807 526218941 /nfs/dbraw/zinc/21/89/41/526218941.db2.gz CKVSCCCCDICNBO-UHFFFAOYSA-N 0 0 457.313 6.380 40 0 JKABRN Cc1ccc(C(=O)[C@H](C)Sc2nnc(COc3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 ZINC000026442026 526240766 /nfs/dbraw/zinc/24/07/66/526240766.db2.gz UAIVRQNQEXZLFY-NRFANRHFSA-N 0 0 485.653 6.816 40 0 JKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)oc2c1 ZINC000022534559 526241643 /nfs/dbraw/zinc/24/16/43/526241643.db2.gz QLRMVYBNRHWCQK-UHFFFAOYSA-N 0 0 452.766 6.404 40 0 JKABRN Cc1ccc(C)c(-n2c(-c3ccccc3)nn(CC(=O)Nc3cccc(Cl)c3Cl)c2=S)c1 ZINC000016769335 526256948 /nfs/dbraw/zinc/25/69/48/526256948.db2.gz JOJZMIIACQADIK-UHFFFAOYSA-N 0 0 483.424 6.633 40 0 JKABRN O=C(NCCCc1ccccc1)c1ccc2c(=O)[nH]c3c(-c4cccc(C(F)(F)F)c4)nnn3c2c1 ZINC000021867847 526278957 /nfs/dbraw/zinc/27/89/57/526278957.db2.gz WGDXHKRTWISIDF-UHFFFAOYSA-N 0 0 491.473 5.032 40 0 JKABRN Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1ccc(COc2cccc(Cl)c2)o1 ZINC000028229864 526293490 /nfs/dbraw/zinc/29/34/90/526293490.db2.gz HXYJADZLWFKWPR-UHFFFAOYSA-N 0 0 453.901 5.765 40 0 JKABRN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044949941 526371726 /nfs/dbraw/zinc/37/17/26/526371726.db2.gz SYYAXJVBIQIGSM-UHFFFAOYSA-N 0 0 495.453 5.457 40 0 JKABRN O=C(NCCSCc1c(F)cccc1Cl)c1ccc(OCCSc2ccccc2)cc1 ZINC000020460662 526372554 /nfs/dbraw/zinc/37/25/54/526372554.db2.gz LCRLGMKTBZYUMQ-UHFFFAOYSA-N 0 0 476.038 6.313 40 0 JKABRN O=C(Oc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1)c1ccccc1Br ZINC000017086177 526439046 /nfs/dbraw/zinc/43/90/46/526439046.db2.gz FJAKPBRVYIYECJ-DEDYPNTBSA-N 0 0 466.262 5.152 40 0 JKABRN c1coc(Cn2c3c(c(-c4ccccc4)c2-c2ccccc2)[C@H](NCc2ccccc2)NC=N3)c1 ZINC000020522707 526567662 /nfs/dbraw/zinc/56/76/62/526567662.db2.gz DIVIUJVKRMTKIT-GDLZYMKVSA-N 0 0 458.565 6.515 40 0 JKABRN O=C(c1cccc(CSCc2ccccc2)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000033376810 526758302 /nfs/dbraw/zinc/75/83/02/526758302.db2.gz VEDLEMWGBIMQDL-UHFFFAOYSA-N 0 0 471.548 5.496 40 0 JKABRN Clc1ccc(/N=c2\scc(-c3ccc(Br)s3)n2Cc2ccccc2)cc1 ZINC000020523027 526939679 /nfs/dbraw/zinc/93/96/79/526939679.db2.gz TYMCMYVOIBOEDF-ATJXCDBQSA-N 0 0 461.837 6.975 40 0 JKABRN O=C1C2[C@H](c3ccccc3)N3CN([C@H]2c2ccccc2)[C@H](c2ccccc2)C1[C@H]3c1ccccc1 ZINC000019331210 526958274 /nfs/dbraw/zinc/95/82/74/526958274.db2.gz RCVDZIWSDINDPY-IKTFRGFKSA-N 0 0 456.589 6.355 40 0 JKABRN Cc1nc(NC(=O)C[C@@H]2CCCCO2)sc1-c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000040556445 526978130 /nfs/dbraw/zinc/97/81/30/526978130.db2.gz NSSPIINIUQNHKC-ZDUSSCGKSA-N 0 0 483.446 6.523 40 0 JKABRN Clc1cccc(Cl)c1Cn1c(-c2ccccc2)nnc1-c1cccc(Br)c1 ZINC000024522820 526979366 /nfs/dbraw/zinc/97/93/66/526979366.db2.gz HQNIACWZSMPBOW-UHFFFAOYSA-N 0 0 459.174 6.730 40 0 JKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020493495 527022878 /nfs/dbraw/zinc/02/28/78/527022878.db2.gz KOZOTQRCIRLKEY-UHFFFAOYSA-N 0 0 485.480 6.160 40 0 JKABRN O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(Cl)cc1C(F)(F)F ZINC000008640510 527066462 /nfs/dbraw/zinc/06/64/62/527066462.db2.gz HGLGOVHCVHFBNJ-UHFFFAOYSA-N 0 0 473.929 5.266 40 0 JKABRN O=C1[C@@]2(c3ccccc3)C[C@@H](c3ccccc3)[C@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000033906294 527112985 /nfs/dbraw/zinc/11/29/85/527112985.db2.gz BVMDBHAZWKSPEE-PCMUHZCQSA-N 0 0 488.630 8.244 40 0 JKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020483580 527113423 /nfs/dbraw/zinc/11/34/23/527113423.db2.gz IQBSGAMSVYEKGZ-UHFFFAOYSA-N 0 0 454.957 6.947 40 0 JKABRN O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000006142151 527118494 /nfs/dbraw/zinc/11/84/94/527118494.db2.gz LFKSTPLPVXVNTB-HBMCJLEFSA-N 0 0 473.743 5.698 40 0 JKABRN O=C1c2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccc(O)cc1 ZINC000066088176 527119131 /nfs/dbraw/zinc/11/91/31/527119131.db2.gz GNJXIBHTDKHBHK-MHZLTWQESA-N 0 0 477.951 6.648 40 0 JKABRN O=S(=O)(N=[S@@](=O)(c1ccccc1)[C@@H](F)c1ccccc1Br)c1ccccc1 ZINC000071256992 527206177 /nfs/dbraw/zinc/20/61/77/527206177.db2.gz MIYACOAPRFDWQW-NIYFSFCBSA-N 0 0 468.369 5.333 40 0 JKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000044842785 527251658 /nfs/dbraw/zinc/25/16/58/527251658.db2.gz FBPBSKBFPVMYTH-UHFFFAOYSA-N 0 0 450.560 5.047 40 0 JKABRN O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc([C@H]2CC=CCC2)cc1)c1ccc(Cl)cc1 ZINC000006115939 527257067 /nfs/dbraw/zinc/25/70/67/527257067.db2.gz IYKRBHPTRHNISH-SFHVURJKSA-N 0 0 477.997 5.184 40 0 JKABRN O=C(Nc1ccc2nc(-c3cc(NC(=O)C4CCCCC4)ccc3O)sc2c1)C1CCCCC1 ZINC000020494074 527298915 /nfs/dbraw/zinc/29/89/15/527298915.db2.gz SDCUQUSRBZHIHG-UHFFFAOYSA-N 0 0 477.630 6.707 40 0 JKABRN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000022535985 527304726 /nfs/dbraw/zinc/30/47/26/527304726.db2.gz FTLHLTSRIFHGBM-UHFFFAOYSA-N 0 0 454.354 6.596 40 0 JKABRN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000022708990 527305155 /nfs/dbraw/zinc/30/51/55/527305155.db2.gz GKTXBRVJMPWGTO-UHFFFAOYSA-N 0 0 473.184 6.749 40 0 JKABRN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000022535988 527305789 /nfs/dbraw/zinc/30/57/89/527305789.db2.gz GUJWWXAYTDLGCA-UHFFFAOYSA-N 0 0 454.354 6.596 40 0 JKABRN O=C(Nc1cccc(NC(=O)Nc2cccc(C3OCCO3)c2)c1)Nc1cccc(C2OCCO2)c1 ZINC000020438185 527361410 /nfs/dbraw/zinc/36/14/10/527361410.db2.gz SERAQDIMZOLIHT-UHFFFAOYSA-N 0 0 490.516 5.065 40 0 JKABRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000038772550 527408743 /nfs/dbraw/zinc/40/87/43/527408743.db2.gz VENICFUILDMRHP-UHFFFAOYSA-N 0 0 467.613 5.908 40 0 JKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044883473 527409305 /nfs/dbraw/zinc/40/93/05/527409305.db2.gz MCIHGKVIUDDTOB-UHFFFAOYSA-N 0 0 453.586 5.518 40 0 JKABRN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000022513505 527410861 /nfs/dbraw/zinc/41/08/61/527410861.db2.gz FHCBZAQYYICCHY-UHFFFAOYSA-N 0 0 483.593 5.435 40 0 JKABRN O=C(Cn1nc(-c2ccc(Br)cc2)n(-c2ccccc2)c1=S)Nc1ccccc1 ZINC000016769224 527412496 /nfs/dbraw/zinc/41/24/96/527412496.db2.gz UHIDZAPRRAPWIA-UHFFFAOYSA-N 0 0 465.376 5.471 40 0 JKABRN O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)N(c1ccccc1)c1ccccc1 ZINC000016768941 527415487 /nfs/dbraw/zinc/41/54/87/527415487.db2.gz LRKHFFZWJVZBRM-UHFFFAOYSA-N 0 0 486.380 6.456 40 0 JKABRN O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)c1ccc(OC(F)F)cc1 ZINC000016769262 527415536 /nfs/dbraw/zinc/41/55/36/527415536.db2.gz YSJNNBAGLLETFT-UHFFFAOYSA-N 0 0 461.273 5.576 40 0 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Cc1ccc(Br)cc1SCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1C ZINC000001791490 553990573 /nfs/dbraw/zinc/99/05/73/553990573.db2.gz CLOFHBIXPCIXEY-UHFFFAOYSA-N 0 0 455.373 5.995 40 0 JKABRN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)/C(Br)=C/c1ccccc1 ZINC000001809163 553992406 /nfs/dbraw/zinc/99/24/06/553992406.db2.gz JIESKCUKTWGIMB-GDNBJRDFSA-N 0 0 464.182 5.947 40 0 JKABRN CCc1ccc(OCC(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)cc1 ZINC000001837794 553993549 /nfs/dbraw/zinc/99/35/49/553993549.db2.gz UMQNWCSGBZCTEV-KRWDZBQOSA-N 0 0 462.977 7.242 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc5ccccc5c4)c3)nc2c1 ZINC000001838713 553993882 /nfs/dbraw/zinc/99/38/82/553993882.db2.gz HCIVUHJMKHRLKA-SFHVURJKSA-N 0 0 484.983 7.832 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C ZINC000001839875 553994481 /nfs/dbraw/zinc/99/44/81/553994481.db2.gz YJARFYFFBNOKOQ-MDZDMXLPSA-N 0 0 453.325 6.771 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Br)o4)c3)nc2c1 ZINC000001840665 553994830 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5.037 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1F)c1ccc(F)cc1 ZINC000008810864 554691518 /nfs/dbraw/zinc/69/15/18/554691518.db2.gz KAULJEMMOITDFZ-UHFFFAOYSA-N 0 0 480.492 5.810 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1F)c1ccccc1F ZINC000008810770 554691566 /nfs/dbraw/zinc/69/15/66/554691566.db2.gz GTDJDBKGAIOLRC-UHFFFAOYSA-N 0 0 478.520 5.285 40 0 JKABRN CCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000008816182 554697820 /nfs/dbraw/zinc/69/78/20/554697820.db2.gz NPBJCJLAZXKZOF-AREMUKBSSA-N 0 0 452.558 6.143 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000008831030 554720712 /nfs/dbraw/zinc/72/07/12/554720712.db2.gz FVIDMTVFFWLWJN-UHFFFAOYSA-N 0 0 459.571 6.027 40 0 JKABRN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)c3)oc2c1 ZINC000008831009 554720715 /nfs/dbraw/zinc/72/07/15/554720715.db2.gz DFGFADWQXLLJNP-UHFFFAOYSA-N 0 0 456.354 6.237 40 0 JKABRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(Br)c1 ZINC000008830988 554720725 /nfs/dbraw/zinc/72/07/25/554720725.db2.gz CNJGRJWKDLMRSY-UHFFFAOYSA-N 0 0 466.360 5.062 40 0 JKABRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Br)cc1 ZINC000008830990 554720773 /nfs/dbraw/zinc/72/07/73/554720773.db2.gz GUBQAEPYCNXCEJ-UHFFFAOYSA-N 0 0 466.360 5.062 40 0 JKABRN COc1ccc2oc(-c3cccc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1 ZINC000008831054 554720978 /nfs/dbraw/zinc/72/09/78/554720978.db2.gz VYDRKBAFOGCSFW-UHFFFAOYSA-N 0 0 451.935 5.213 40 0 JKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3sc4cc(Cl)ccc4c3Cl)nc21 ZINC000008831103 554721136 /nfs/dbraw/zinc/72/11/36/554721136.db2.gz SPOCLQHVYVQFPD-UHFFFAOYSA-N 0 0 466.440 6.561 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccc2ccccc2c1 ZINC000008831171 554721356 /nfs/dbraw/zinc/72/13/56/554721356.db2.gz PTVTZQXCOCILKI-UHFFFAOYSA-N 0 0 473.557 6.928 40 0 JKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)c1 ZINC000008831148 554721376 /nfs/dbraw/zinc/72/13/76/554721376.db2.gz QLEBTNFRZNTAJT-UHFFFAOYSA-N 0 0 473.598 6.273 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 ZINC000008831189 554721405 /nfs/dbraw/zinc/72/14/05/554721405.db2.gz OYMCQHDSXJJUDV-UHFFFAOYSA-N 0 0 463.994 5.380 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1C ZINC000008831214 554721586 /nfs/dbraw/zinc/72/15/86/554721586.db2.gz QTZSAQDGFHFEGX-UHFFFAOYSA-N 0 0 457.603 5.596 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000008831256 554721770 /nfs/dbraw/zinc/72/17/70/554721770.db2.gz FEONLNKQUJIVSP-DHZHZOJOSA-N 0 0 468.369 5.254 40 0 JKABRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(-c2cccc(Cl)c2)o1 ZINC000008831304 554721772 /nfs/dbraw/zinc/72/17/72/554721772.db2.gz BSJXYWYXFPJIJD-UHFFFAOYSA-N 0 0 453.720 5.628 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Br)cc1F ZINC000008831310 554721794 /nfs/dbraw/zinc/72/17/94/554721794.db2.gz VCSNJJSHWCTBTD-UHFFFAOYSA-N 0 0 452.132 5.030 40 0 JKABRN COc1cc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 ZINC000008831386 554722049 /nfs/dbraw/zinc/72/20/49/554722049.db2.gz DMXOEVAZBULLLP-IZZDOVSWSA-N 0 0 471.991 5.189 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(Br)cc1Cl ZINC000008831372 554722087 /nfs/dbraw/zinc/72/20/87/554722087.db2.gz BTLWHZWDSBFOFF-QHHAFSJGSA-N 0 0 464.599 5.936 40 0 JKABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c(C)cc1I ZINC000008831338 554722096 /nfs/dbraw/zinc/72/20/96/554722096.db2.gz XXEJBPCPAIRHOB-VMPITWQZSA-N 0 0 470.763 5.088 40 0 JKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000008831363 554722109 /nfs/dbraw/zinc/72/21/09/554722109.db2.gz FEKTYGHLGRKVTB-UHFFFAOYSA-N 0 0 464.896 6.065 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl ZINC000008831436 554722285 /nfs/dbraw/zinc/72/22/85/554722285.db2.gz WFJLXVLYSZQYCS-UHFFFAOYSA-N 0 0 463.946 5.774 40 0 JKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000008831471 554722300 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40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(Br)c(C)n1 ZINC000008832016 554724873 /nfs/dbraw/zinc/72/48/73/554724873.db2.gz HASVHEUIDUYWEC-UHFFFAOYSA-N 0 0 450.130 5.329 40 0 JKABRN Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccc(C5CCCCC5)cc4)c3)oc2c1 ZINC000008832002 554724895 /nfs/dbraw/zinc/72/48/95/554724895.db2.gz ICDITJOMPRRKRF-UHFFFAOYSA-N 0 0 454.570 7.177 40 0 JKABRN Cc1cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)nc2cc1Cl ZINC000008832029 554724911 /nfs/dbraw/zinc/72/49/11/554724911.db2.gz RUECQLKDDOCTAV-QPJJXVBHSA-N 0 0 463.773 7.477 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C5CCCCC5)cc4)ccc3o2)c(C)c1 ZINC000008832100 554725242 /nfs/dbraw/zinc/72/52/42/554725242.db2.gz IUNHLMFJWFRHHD-UHFFFAOYSA-N 0 0 454.570 7.177 40 0 JKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1Cl ZINC000008832128 554725245 /nfs/dbraw/zinc/72/52/45/554725245.db2.gz JOKRCCVUVULDHK-UHFFFAOYSA-N 0 0 454.913 7.076 40 0 JKABRN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)c1 ZINC000008832123 554725282 /nfs/dbraw/zinc/72/52/82/554725282.db2.gz YREMBSQBWSZNDG-UHFFFAOYSA-N 0 0 450.494 6.431 40 0 JKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1 ZINC000008832162 554725469 /nfs/dbraw/zinc/72/54/69/554725469.db2.gz FOGFLKZYJLVNEZ-UHFFFAOYSA-N 0 0 456.933 6.023 40 0 JKABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C5CCCCC5)cc4)cc3n2)cc1 ZINC000008832149 554725474 /nfs/dbraw/zinc/72/54/74/554725474.db2.gz KDJLPNSOPDYOSH-UHFFFAOYSA-N 0 0 454.574 6.048 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)cc1 ZINC000008832175 554725501 /nfs/dbraw/zinc/72/55/01/554725501.db2.gz QFOCHSOQPHKWBJ-UHFFFAOYSA-N 0 0 458.415 5.109 40 0 JKABRN Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1Cl ZINC000008832158 554725507 /nfs/dbraw/zinc/72/55/07/554725507.db2.gz NYLLUNXYUASOKY-UHFFFAOYSA-N 0 0 455.345 5.832 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(OC)c4)cc3n2)c(C)c1 ZINC000008832214 554725651 /nfs/dbraw/zinc/72/56/51/554725651.db2.gz ZUVBHSNCBQUYFA-UHFFFAOYSA-N 0 0 473.577 5.153 40 0 JKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000008832186 554725750 /nfs/dbraw/zinc/72/57/50/554725750.db2.gz VWKUNKWZFSWQFZ-UHFFFAOYSA-N 0 0 456.590 6.167 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(I)cc1C ZINC000008832258 554725899 /nfs/dbraw/zinc/72/58/99/554725899.db2.gz LCTGSNQPJSKLPK-FPYGCLRLSA-N 0 0 472.120 5.023 40 0 JKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(OC)c(OC)c4)cc3n2)cc1 ZINC000008832233 554725910 /nfs/dbraw/zinc/72/59/10/554725910.db2.gz XRIWEHSISBKKJH-UHFFFAOYSA-N 0 0 464.953 5.686 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1Br ZINC000008832243 554725921 /nfs/dbraw/zinc/72/59/21/554725921.db2.gz UTJZGQUSVTXCIC-UHFFFAOYSA-N 0 0 463.951 5.235 40 0 JKABRN CCc1cccc(C)c1NC(=O)/C=C/c1cc(Br)cc(Br)c1OC ZINC000008832235 554725953 /nfs/dbraw/zinc/72/59/53/554725953.db2.gz OTZXCIMDXGRGAZ-CMDGGOBGSA-N 0 0 453.174 5.743 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1c(C)cc(Br)cc1C ZINC000008832236 554725956 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COc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013496692 555412248 /nfs/dbraw/zinc/41/22/48/555412248.db2.gz KCOBLMTURCNGPX-LJAQVGFWSA-N 0 0 499.586 5.691 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000013496658 555412264 /nfs/dbraw/zinc/41/22/64/555412264.db2.gz LAGJUXKYGKJZDJ-GDLZYMKVSA-N 0 0 483.587 5.991 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000013496637 555412303 /nfs/dbraw/zinc/41/23/03/555412303.db2.gz MZWUJVXEXZTJJQ-HHHXNRCGSA-N 0 0 454.595 5.690 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013496682 555412314 /nfs/dbraw/zinc/41/23/14/555412314.db2.gz LLKJXVDJMCGOGD-MUUNZHRXSA-N 0 0 487.550 5.822 40 0 JKABRN CCOCCCN(C(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccc(CC)cc1 ZINC000013497185 555412831 /nfs/dbraw/zinc/41/28/31/555412831.db2.gz BRZOFNAWUXXNQP-XMMPIXPASA-N 0 0 456.652 5.370 40 0 JKABRN COc1cccc(N(C(=O)Cn2cnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000013497153 555412846 /nfs/dbraw/zinc/41/28/46/555412846.db2.gz NAGGNIALLQGVPC-LJAQVGFWSA-N 0 0 496.611 5.268 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2cccs2)c(OC)c1 ZINC000013497286 555413130 /nfs/dbraw/zinc/41/31/30/555413130.db2.gz XQPOVNFZSITNNA-DEOSSOPVSA-N 0 0 498.670 5.659 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2cccs2)cc1 ZINC000013497251 555413156 /nfs/dbraw/zinc/41/31/56/555413156.db2.gz RUEAGKBUDRRHRX-DEOSSOPVSA-N 0 0 482.671 6.041 40 0 JKABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2cccs2)c1 ZINC000013497277 555413163 /nfs/dbraw/zinc/41/31/63/555413163.db2.gz WXBJMVAAXPGUTK-DEOSSOPVSA-N 0 0 482.602 5.191 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000013497324 555413165 /nfs/dbraw/zinc/41/31/65/555413165.db2.gz YNLWJJRXGMEHJX-QHCPKHFHSA-N 0 0 468.644 5.651 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccccc1Cl)C(=O)c1cccs1 ZINC000013497313 555413169 /nfs/dbraw/zinc/41/31/69/555413169.db2.gz YYJMPTOSWMGOQY-JOCHJYFZSA-N 0 0 473.063 6.296 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)cc1 ZINC000013497406 555413443 /nfs/dbraw/zinc/41/34/43/555413443.db2.gz WVMSQXZDQHFMMJ-SANMLTNESA-N 0 0 492.641 5.598 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)c2cccs2)cc1 ZINC000013497392 555413499 /nfs/dbraw/zinc/41/34/99/555413499.db2.gz CQYDXPUMYNPABF-AREMUKBSSA-N 0 0 476.642 5.898 40 0 JKABRN COc1cccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)c1 ZINC000013497401 555413514 /nfs/dbraw/zinc/41/35/14/555413514.db2.gz DFXWRRZRUFVHCI-SANMLTNESA-N 0 0 492.641 5.598 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cccs1 ZINC000013497448 555413661 /nfs/dbraw/zinc/41/36/61/555413661.db2.gz WHIREYNCCQYZCW-RUZDIDTESA-N 0 0 476.598 5.309 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2cccs2)c1 ZINC000013497412 555413708 /nfs/dbraw/zinc/41/37/08/555413708.db2.gz WFISNTPUZGGGJC-RUZDIDTESA-N 0 0 462.615 5.589 40 0 JKABRN COc1cccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccccc2C)c1 ZINC000013497436 555413741 /nfs/dbraw/zinc/41/37/41/555413741.db2.gz OJAGXQQBKNGLMM-SANMLTNESA-N 0 0 476.642 5.898 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)o1 ZINC000013497552 555414024 /nfs/dbraw/zinc/41/40/24/555414024.db2.gz YPNUWOQMSZUWQD-DEOSSOPVSA-N 0 0 454.567 5.160 40 0 JKABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)o1 ZINC000013497632 555414205 /nfs/dbraw/zinc/41/42/05/555414205.db2.gz ZEXQYDSMFJZBDX-RUZDIDTESA-N 0 0 466.603 5.424 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1Cl)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497650 555414208 /nfs/dbraw/zinc/41/42/08/555414208.db2.gz HRSIWOMMNUCZJJ-QHCPKHFHSA-N 0 0 473.063 5.834 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497669 555414277 /nfs/dbraw/zinc/41/42/77/555414277.db2.gz XTUFAEYONNMQMI-XMMPIXPASA-N 0 0 466.628 5.388 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497651 555414294 /nfs/dbraw/zinc/41/42/94/555414294.db2.gz ZPBQJJMLEMDRCE-XMMPIXPASA-N 0 0 468.644 5.190 40 0 JKABRN CCc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497689 555414632 /nfs/dbraw/zinc/41/46/32/555414632.db2.gz AWZVUCZTJJGIEW-XMMPIXPASA-N 0 0 452.645 5.748 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497701 555414650 /nfs/dbraw/zinc/41/46/50/555414650.db2.gz RSTQKKCXAPMPDT-AREMUKBSSA-N 0 0 497.060 5.782 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497728 555414820 /nfs/dbraw/zinc/41/48/20/555414820.db2.gz LHVFQSUNKSNXMC-QHCPKHFHSA-N 0 0 456.995 5.366 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497723 555414872 /nfs/dbraw/zinc/41/48/72/555414872.db2.gz YWOVFTOACIXNLO-XMMPIXPASA-N 0 0 453.007 5.777 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2Cl)cc1 ZINC000013497747 555415185 /nfs/dbraw/zinc/41/51/85/555415185.db2.gz SWBLEEYAGSJLDH-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN CC[C@@H](C)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000013497791 555415339 /nfs/dbraw/zinc/41/53/39/555415339.db2.gz UTMWPQORALAGSW-HRFSGMKKSA-N 0 0 475.658 6.032 40 0 JKABRN CC(C)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000013497793 555415363 /nfs/dbraw/zinc/41/53/63/555415363.db2.gz BIASDOQSJXUUEG-AREMUKBSSA-N 0 0 461.631 5.642 40 0 JKABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c1 ZINC000013497827 555415394 /nfs/dbraw/zinc/41/53/94/555415394.db2.gz ACWUQKJKEWLIJJ-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)c1OC ZINC000013497839 555415620 /nfs/dbraw/zinc/41/56/20/555415620.db2.gz IJQUXOUGATYVCX-AREMUKBSSA-N 0 0 492.641 5.450 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1 ZINC000013497874 555415935 /nfs/dbraw/zinc/41/59/35/555415935.db2.gz PPZYBLOZZSBCCO-MHZLTWQESA-N 0 0 494.632 5.657 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1cccs1 ZINC000013497866 555415937 /nfs/dbraw/zinc/41/59/37/555415937.db2.gz SAJCUJJGGWFBJB-NDEPHWFRSA-N 0 0 490.669 5.561 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1 ZINC000013497885 555415963 /nfs/dbraw/zinc/41/59/63/555415963.db2.gz BAPLACBDXVHZDM-AREMUKBSSA-N 0 0 462.615 5.523 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1OC ZINC000013497914 555416249 /nfs/dbraw/zinc/41/62/49/555416249.db2.gz QUIITHXNZQAOPH-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000013497928 555416288 /nfs/dbraw/zinc/41/62/88/555416288.db2.gz HRUNNIYEVQZIJG-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2)cc1OC ZINC000013497912 555416303 /nfs/dbraw/zinc/41/63/03/555416303.db2.gz FDGWIAGEZWMLAY-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1OC ZINC000013497903 555416307 /nfs/dbraw/zinc/41/63/07/555416307.db2.gz BQXOUVORELFJQI-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)c1 ZINC000013497965 555416587 /nfs/dbraw/zinc/41/65/87/555416587.db2.gz BGWLQVZDHRULOE-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)Cc2cccs2)c1 ZINC000013497944 555416601 /nfs/dbraw/zinc/41/66/01/555416601.db2.gz OQJDAUQFBHFAJX-MHZLTWQESA-N 0 0 492.641 5.137 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)Cc2cccs2)c1 ZINC000013497950 555416616 /nfs/dbraw/zinc/41/66/16/555416616.db2.gz DNYKLYYGRJJNPR-MHZLTWQESA-N 0 0 476.642 5.437 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cc(C)ccc2C)c1 ZINC000013497995 555416887 /nfs/dbraw/zinc/41/68/87/555416887.db2.gz TVBUOIPTKGCLLN-HHHXNRCGSA-N 0 0 476.642 5.749 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)c1 ZINC000013497971 555416900 /nfs/dbraw/zinc/41/69/00/555416900.db2.gz BOMQAFYODOJHOH-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cc(C)ccc2OC)c1 ZINC000013497981 555416910 /nfs/dbraw/zinc/41/69/10/555416910.db2.gz DOONFHBQCSXAKI-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)c(F)c2)c1 ZINC000013497968 555416926 /nfs/dbraw/zinc/41/69/26/555416926.db2.gz LDXXUERYBFPDTQ-SANMLTNESA-N 0 0 480.605 5.580 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000013498026 555417197 /nfs/dbraw/zinc/41/71/97/555417197.db2.gz LGVQIFZSMJGDSK-SANMLTNESA-N 0 0 462.615 5.128 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cc(C)ccc2C)c1 ZINC000013497996 555417206 /nfs/dbraw/zinc/41/72/06/555417206.db2.gz TVBUOIPTKGCLLN-MHZLTWQESA-N 0 0 476.642 5.749 40 0 JKABRN CCc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1cccc(OC)c1 ZINC000013498004 555417211 /nfs/dbraw/zinc/41/72/11/555417211.db2.gz OOYJXPZPMWLYKV-MHZLTWQESA-N 0 0 476.642 5.695 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)cc1 ZINC000013498056 555417490 /nfs/dbraw/zinc/41/74/90/555417490.db2.gz JGQAILKLLBJDRI-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cc(C)ccc2OC)cc1 ZINC000013498051 555417501 /nfs/dbraw/zinc/41/75/01/555417501.db2.gz JHZCSGDLPBOZDQ-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)c(F)c2)cc1 ZINC000013498039 555417513 /nfs/dbraw/zinc/41/75/13/555417513.db2.gz SUCDJBBLQMBNFZ-AREMUKBSSA-N 0 0 480.605 5.580 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2Cl)cc1 ZINC000013498028 555417526 /nfs/dbraw/zinc/41/75/26/555417526.db2.gz RIQXODFHCXADJC-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)c1 ZINC000013498050 555417542 /nfs/dbraw/zinc/41/75/42/555417542.db2.gz IVGSYQMDQLVADY-MHZLTWQESA-N 0 0 492.641 5.531 40 0 JKABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498086 555417765 /nfs/dbraw/zinc/41/77/65/555417765.db2.gz GLAMVUJRYWVBGG-VWLOTQADSA-N 0 0 494.588 5.050 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498082 555417776 /nfs/dbraw/zinc/41/77/76/555417776.db2.gz LPZIBJURRKIWEY-VWLOTQADSA-N 0 0 450.579 5.259 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498077 555417786 /nfs/dbraw/zinc/41/77/86/555417786.db2.gz CRKGQQZQEHUTOA-AREMUKBSSA-N 0 0 480.605 5.267 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498080 555417817 /nfs/dbraw/zinc/41/78/17/555417817.db2.gz VWQWEZMSPZILRO-SANMLTNESA-N 0 0 464.606 5.567 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(Cl)cc1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498100 555418155 /nfs/dbraw/zinc/41/81/55/555418155.db2.gz MJSJTFOLHFKHBE-DEOSSOPVSA-N 0 0 470.997 5.916 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1Cl)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498098 555418171 /nfs/dbraw/zinc/41/81/71/555418171.db2.gz LRSXOQOAEJWGJJ-DEOSSOPVSA-N 0 0 470.997 5.916 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498093 555418176 /nfs/dbraw/zinc/41/81/76/555418176.db2.gz YJEMYSFLEYRRQH-AREMUKBSSA-N 0 0 478.589 5.466 40 0 JKABRN CCc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498140 555418341 /nfs/dbraw/zinc/41/83/41/555418341.db2.gz NRQXJEZZSOORKP-SANMLTNESA-N 0 0 464.606 5.825 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498128 555418375 /nfs/dbraw/zinc/41/83/75/555418375.db2.gz JTMARLNOMBXUMA-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1Cl)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498146 555418385 /nfs/dbraw/zinc/41/83/85/555418385.db2.gz WGBKVUHSCOJTGW-DEOSSOPVSA-N 0 0 470.997 5.916 40 0 JKABRN O=C(Cc1cccs1)N(Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498150 555418413 /nfs/dbraw/zinc/41/84/13/555418413.db2.gz MZJYWKLMMXPNEU-QHCPKHFHSA-N 0 0 456.608 5.320 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498174 555418650 /nfs/dbraw/zinc/41/86/50/555418650.db2.gz VJFCGRJLGPGYJX-DEOSSOPVSA-N 0 0 454.542 5.402 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498166 555418654 /nfs/dbraw/zinc/41/86/54/555418654.db2.gz YXYWPISHCRUWNM-SANMLTNESA-N 0 0 478.589 5.466 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498168 555418660 /nfs/dbraw/zinc/41/86/60/555418660.db2.gz CCSHNPKVDFUPLY-SANMLTNESA-N 0 0 478.589 5.466 40 0 JKABRN COc1ccc(C)cc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498185 555418669 /nfs/dbraw/zinc/41/86/69/555418669.db2.gz VMMFFTSNMDLOOV-AREMUKBSSA-N 0 0 480.605 5.580 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498175 555418686 /nfs/dbraw/zinc/41/86/86/555418686.db2.gz APDXEUFKDDOGQT-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498182 555418698 /nfs/dbraw/zinc/41/86/98/555418698.db2.gz OBLQOUNGBJGTPM-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498240 555419184 /nfs/dbraw/zinc/41/91/84/555419184.db2.gz LIOXTPUGTPHGPS-MHZLTWQESA-N 0 0 474.626 5.635 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498256 555419187 /nfs/dbraw/zinc/41/91/87/555419187.db2.gz WWTQYPGOQAEKMI-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013498233 555419200 /nfs/dbraw/zinc/41/92/00/555419200.db2.gz XBSXLEIVZKFLGA-AREMUKBSSA-N 0 0 490.625 5.219 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013498235 555419203 /nfs/dbraw/zinc/41/92/03/555419203.db2.gz KGHUMOFGFHLHQI-HHHXNRCGSA-N 0 0 489.641 5.391 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498239 555419210 /nfs/dbraw/zinc/41/92/10/555419210.db2.gz LIOXTPUGTPHGPS-HHHXNRCGSA-N 0 0 474.626 5.635 40 0 JKABRN CCOCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(C(C)C)cc1 ZINC000013498267 555419501 /nfs/dbraw/zinc/41/95/01/555419501.db2.gz KNXYGOXGSYMKLZ-AREMUKBSSA-N 0 0 470.679 5.469 40 0 JKABRN CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000013498272 555419535 /nfs/dbraw/zinc/41/95/35/555419535.db2.gz VNPKTFNTGTUNRN-SANMLTNESA-N 0 0 464.631 5.836 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1 ZINC000013498314 555419800 /nfs/dbraw/zinc/41/98/00/555419800.db2.gz YSXCAWLYFOFCKB-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498353 555420062 /nfs/dbraw/zinc/42/00/62/555420062.db2.gz HXXGFTMUGFPJGR-XMMPIXPASA-N 0 0 453.007 5.777 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1Cl)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498340 555420137 /nfs/dbraw/zinc/42/01/37/555420137.db2.gz BRPYHXAXYHHAMH-VWLOTQADSA-N 0 0 467.034 5.773 40 0 JKABRN Cc1cc(C)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c(C)c1 ZINC000013498409 555420286 /nfs/dbraw/zinc/42/02/86/555420286.db2.gz ZESYLBKUJJCPMC-HHHXNRCGSA-N 0 0 460.643 6.049 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498427 555420321 /nfs/dbraw/zinc/42/03/21/555420321.db2.gz QESOHDFXUCMXEK-QHCPKHFHSA-N 0 0 478.666 5.293 40 0 JKABRN COc1ccc(C)cc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498393 555420345 /nfs/dbraw/zinc/42/03/45/555420345.db2.gz REOAYXCMIYBDMQ-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498398 555420350 /nfs/dbraw/zinc/42/03/50/555420350.db2.gz DKNHPHBOGBGLAI-SANMLTNESA-N 0 0 478.614 5.141 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498384 555420365 /nfs/dbraw/zinc/42/03/65/555420365.db2.gz IJMLYZAWNHWPSC-SANMLTNESA-N 0 0 478.614 5.141 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498397 555420441 /nfs/dbraw/zinc/42/04/41/555420441.db2.gz DKNHPHBOGBGLAI-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498500 555421098 /nfs/dbraw/zinc/42/10/98/555421098.db2.gz WUQNCRZBGXYRPN-HSZRJFAPSA-N 0 0 478.666 5.429 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498507 555421132 /nfs/dbraw/zinc/42/11/32/555421132.db2.gz DTTQYPDXNLVUGI-SANMLTNESA-N 0 0 488.611 5.477 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498542 555421461 /nfs/dbraw/zinc/42/14/61/555421461.db2.gz KWRKJZOZWOCHBD-MUUNZHRXSA-N 0 0 492.627 5.271 40 0 JKABRN Cc1ccc2cc(CN(Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498510 555421583 /nfs/dbraw/zinc/42/15/83/555421583.db2.gz TXZHBWUEHXXEEH-XMMPIXPASA-N 0 0 476.650 5.399 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498518 555421622 /nfs/dbraw/zinc/42/16/22/555421622.db2.gz SQVDXUBQENKQES-HHHXNRCGSA-N 0 0 484.648 5.728 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498613 555422587 /nfs/dbraw/zinc/42/25/87/555422587.db2.gz GQJWONIIMODRMN-RUZDIDTESA-N 0 0 488.636 5.068 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498634 555423057 /nfs/dbraw/zinc/42/30/57/555423057.db2.gz QSZHHPWCPZHTDW-XMMPIXPASA-N 0 0 492.649 5.099 40 0 JKABRN CCCCSc1nnc2c(n1)O[C@H]([C@H]1C[C@@H]3C(=CCCC3(C)C)C[C@@H]1C)Nc1ccccc1-2 ZINC000009600914 555424682 /nfs/dbraw/zinc/42/46/82/555424682.db2.gz FPKKCOFAXQYIMC-CTLLREPQSA-N 0 0 464.679 6.970 40 0 JKABRN CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1F ZINC000009694902 555424871 /nfs/dbraw/zinc/42/48/71/555424871.db2.gz QRPFLIZMBCRABN-UHFFFAOYSA-N 0 0 496.391 5.198 40 0 JKABRN Cc1cc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498890 555425931 /nfs/dbraw/zinc/42/59/31/555425931.db2.gz HWYUFOQEDPUBFO-AREMUKBSSA-N 0 0 488.636 5.629 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498993 555426762 /nfs/dbraw/zinc/42/67/62/555426762.db2.gz WVDUKCOIJKUUSS-VWLOTQADSA-N 0 0 472.637 5.286 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499025 555427097 /nfs/dbraw/zinc/42/70/97/555427097.db2.gz VANKUEGBLASGQC-VWLOTQADSA-N 0 0 474.609 5.239 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499013 555427182 /nfs/dbraw/zinc/42/71/82/555427182.db2.gz UXWUBRZAGSMSGH-DEOSSOPVSA-N 0 0 476.625 5.269 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3cccnc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499020 555427245 /nfs/dbraw/zinc/42/72/45/555427245.db2.gz VGUWLBCZZWAKHA-AREMUKBSSA-N 0 0 485.636 5.041 40 0 JKABRN Cc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499071 555427523 /nfs/dbraw/zinc/42/75/23/555427523.db2.gz RPLGFWUBSNRALH-NDEPHWFRSA-N 0 0 498.675 5.954 40 0 JKABRN Cc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013499066 555427539 /nfs/dbraw/zinc/42/75/39/555427539.db2.gz IISFOIVAAPWBOI-AREMUKBSSA-N 0 0 486.664 5.594 40 0 JKABRN Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499039 555427623 /nfs/dbraw/zinc/42/76/23/555427623.db2.gz KAJRDQYTUXNHJB-OZXSUGGESA-N 0 0 492.668 5.015 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499137 555428400 /nfs/dbraw/zinc/42/84/00/555428400.db2.gz DYYKNVJXJRDKOB-SANMLTNESA-N 0 0 488.636 5.629 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499170 555428894 /nfs/dbraw/zinc/42/88/94/555428894.db2.gz QJUNVPWACYPJEU-AREMUKBSSA-N 0 0 486.664 5.328 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499154 555428957 /nfs/dbraw/zinc/42/89/57/555428957.db2.gz HNJPUNNCGSXARJ-HHHXNRCGSA-N 0 0 496.615 5.172 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc12 ZINC000013499172 555428971 /nfs/dbraw/zinc/42/89/71/555428971.db2.gz TUBWJDJSIWWKJE-RUZDIDTESA-N 0 0 490.677 5.708 40 0 JKABRN Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000013499227 555429232 /nfs/dbraw/zinc/42/92/32/555429232.db2.gz YLBWJTBFSKJINR-UHFFFAOYSA-N 0 0 481.017 5.498 40 0 JKABRN Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013499214 555429284 /nfs/dbraw/zinc/42/92/84/555429284.db2.gz XBLNBFFXLORARK-UHFFFAOYSA-N 0 0 481.017 5.498 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499247 555429686 /nfs/dbraw/zinc/42/96/86/555429686.db2.gz OHAPSAZKOYNAIS-AREMUKBSSA-N 0 0 488.636 5.719 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499267 555429868 /nfs/dbraw/zinc/42/98/68/555429868.db2.gz APTSITJKMBVWFX-RUZDIDTESA-N 0 0 488.636 5.130 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499350 555430930 /nfs/dbraw/zinc/43/09/30/555430930.db2.gz UBTHKSGSTJWGMU-VWLOTQADSA-N 0 0 478.641 5.314 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499428 555431357 /nfs/dbraw/zinc/43/13/57/555431357.db2.gz WAXWTBVPOUZSNB-VWLOTQADSA-N 0 0 472.637 5.430 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499476 555431755 /nfs/dbraw/zinc/43/17/55/555431755.db2.gz PSTBVDROMODQKQ-SANMLTNESA-N 0 0 488.636 5.773 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499546 555432620 /nfs/dbraw/zinc/43/26/20/555432620.db2.gz LDZYBYREBWYIAH-VWLOTQADSA-N 0 0 472.637 5.430 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499557 555433054 /nfs/dbraw/zinc/43/30/54/555433054.db2.gz XXCNFTRKFNSBOA-XMMPIXPASA-N 0 0 492.693 5.882 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499558 555433060 /nfs/dbraw/zinc/43/30/60/555433060.db2.gz XXCNFTRKFNSBOA-DEOSSOPVSA-N 0 0 492.693 5.882 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499596 555433385 /nfs/dbraw/zinc/43/33/85/555433385.db2.gz LLWVLEBRPBAQBS-SANMLTNESA-N 0 0 486.664 5.738 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499595 555433594 /nfs/dbraw/zinc/43/35/94/555433594.db2.gz LLWVLEBRPBAQBS-AREMUKBSSA-N 0 0 486.664 5.738 40 0 JKABRN 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ZINC000013502146 555453091 /nfs/dbraw/zinc/45/30/91/555453091.db2.gz HZIKEXVIHCSRKL-SANMLTNESA-N 0 0 473.548 5.260 40 0 JKABRN COc1cccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2C)c1 ZINC000013502186 555453212 /nfs/dbraw/zinc/45/32/12/555453212.db2.gz DPYNIYTXSNNFNB-SANMLTNESA-N 0 0 457.574 5.236 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1 ZINC000013502179 555453293 /nfs/dbraw/zinc/45/32/93/555453293.db2.gz DAGVKGXMSAKDBK-HHHXNRCGSA-N 0 0 484.600 5.185 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)c(OC)c1 ZINC000013502214 555453525 /nfs/dbraw/zinc/45/35/25/555453525.db2.gz CRSKGFXNACAPLA-SANMLTNESA-N 0 0 491.563 5.075 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C)cc2)c(OC)c1 ZINC000013502216 555453538 /nfs/dbraw/zinc/45/35/38/555453538.db2.gz LIKHRWXUXNZRFB-MHZLTWQESA-N 0 0 487.600 5.244 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)cc1OC ZINC000013502228 555453598 /nfs/dbraw/zinc/45/35/98/555453598.db2.gz OMIUXDBMWPQALX-SANMLTNESA-N 0 0 491.563 5.075 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(Cl)c2)c1 ZINC000013502253 555453784 /nfs/dbraw/zinc/45/37/84/555453784.db2.gz XZXVCKWNWHISAU-RUZDIDTESA-N 0 0 477.992 5.581 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)c1 ZINC000013502261 555453833 /nfs/dbraw/zinc/45/38/33/555453833.db2.gz UFBBTCOKCJIFTL-RUZDIDTESA-N 0 0 461.537 5.066 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)cc1OC ZINC000013502229 555453888 /nfs/dbraw/zinc/45/38/88/555453888.db2.gz SIIIARSSGLXKGT-AREMUKBSSA-N 0 0 491.563 5.075 40 0 JKABRN COc1ccc(CN(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502292 555454078 /nfs/dbraw/zinc/45/40/78/555454078.db2.gz XROSRGYIBDMYMO-SANMLTNESA-N 0 0 475.564 5.062 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)c1 ZINC000013502270 555454114 /nfs/dbraw/zinc/45/41/14/555454114.db2.gz 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491.563 5.075 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013502319 555454437 /nfs/dbraw/zinc/45/44/37/555454437.db2.gz QNNMJGLODZHDFA-SANMLTNESA-N 0 0 475.564 5.456 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C)c(F)c2)cc1 ZINC000013502337 555454551 /nfs/dbraw/zinc/45/45/51/555454551.db2.gz AJTQPLAHKLLULP-SANMLTNESA-N 0 0 475.564 5.375 40 0 JKABRN COc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000013502404 555454866 /nfs/dbraw/zinc/45/48/66/555454866.db2.gz DLTSANOGXYKJIA-AREMUKBSSA-N 0 0 457.574 5.236 40 0 JKABRN CC(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccccn2)cc1 ZINC000013502378 555454869 /nfs/dbraw/zinc/45/48/69/555454869.db2.gz PWOJZVMRBYQIDV-AREMUKBSSA-N 0 0 475.658 6.099 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)cc1 ZINC000013502377 555454911 /nfs/dbraw/zinc/45/49/11/555454911.db2.gz QSCVLYOIIQEIEL-SANMLTNESA-N 0 0 457.574 5.317 40 0 JKABRN CC(=O)c1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000013502426 555455206 /nfs/dbraw/zinc/45/52/06/555455206.db2.gz IICUKQNWOCXPDO-AREMUKBSSA-N 0 0 455.558 5.121 40 0 JKABRN CCOC(=O)c1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000013502422 555455309 /nfs/dbraw/zinc/45/53/09/555455309.db2.gz QTULJILMQUDZJR-AREMUKBSSA-N 0 0 485.584 5.095 40 0 JKABRN CCOc1ccc2nc(NC(=O)CSc3nc(C4CCCCC4)nc4ccccc43)sc2c1 ZINC000013502521 555455824 /nfs/dbraw/zinc/45/58/24/555455824.db2.gz WBIAJUKIBNDINS-UHFFFAOYSA-N 0 0 478.643 6.417 40 0 JKABRN CC(=O)Nc1cccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)CCCC5)c1 ZINC000013502540 555455936 /nfs/dbraw/zinc/45/59/36/555455936.db2.gz SBDIARZRGIYENC-UHFFFAOYSA-N 0 0 494.646 5.030 40 0 JKABRN CC(=O)c1cccc(N(CC(=O)NC(C)(C)C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 ZINC000013502615 555456089 /nfs/dbraw/zinc/45/60/89/555456089.db2.gz ZNUYKGVPOFIFJL-UHFFFAOYSA-N 0 0 488.613 5.160 40 0 JKABRN CC(C)(C)c1ccc(C(=O)N(Cc2cccs2)Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000013502655 555456536 /nfs/dbraw/zinc/45/65/36/555456536.db2.gz SUHVCFYLTLAYOB-UHFFFAOYSA-N 0 0 491.682 6.065 40 0 JKABRN CCc1nc2sc3c(c2c(NCCNC(=O)c2c(C)nn(-c4ccccc4)c2Cl)n1)CCCC3 ZINC000013502673 555456556 /nfs/dbraw/zinc/45/65/56/555456556.db2.gz SFIVUOAQJQMHGK-UHFFFAOYSA-N 0 0 495.052 5.122 40 0 JKABRN CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)CCc1ccccc1OC ZINC000013502708 555456959 /nfs/dbraw/zinc/45/69/59/555456959.db2.gz JQGANQJQZZTPMD-UHFFFAOYSA-N 0 0 468.575 5.378 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccc(OC)cc3)cc2)nnc1-c1cccs1 ZINC000013503272 555460119 /nfs/dbraw/zinc/46/01/19/555460119.db2.gz LTNNEEKRLOZOEE-UHFFFAOYSA-N 0 0 493.614 5.018 40 0 JKABRN Cc1ccc(N(C(=O)C2=Cc3ccccc3OC2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013503366 555460601 /nfs/dbraw/zinc/46/06/01/555460601.db2.gz IJMVDQNUNOANKH-GDLZYMKVSA-N 0 0 498.598 6.133 40 0 JKABRN CCOc1ccc(OCC)c(NC(=O)CSc2nc3cc4c(cc3cc2CC)OCO4)c1 ZINC000013503593 555461285 /nfs/dbraw/zinc/46/12/85/555461285.db2.gz BUDNPBPUHBLPLT-UHFFFAOYSA-N 0 0 454.548 5.054 40 0 JKABRN CC(C)(C)n1nnnc1[C@H](c1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504065 555462756 /nfs/dbraw/zinc/46/27/56/555462756.db2.gz NTSQAXQNJQVMLI-FQEVSTJZSA-N 0 0 478.950 5.012 40 0 JKABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1F ZINC000013505967 555468822 /nfs/dbraw/zinc/46/88/22/555468822.db2.gz SWXOLXURRYFGIM-VWLOTQADSA-N 0 0 468.594 5.125 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)c3cccc(Cl)c3)c2C)n1Cc1cccc(Cl)c1 ZINC000013509815 555481780 /nfs/dbraw/zinc/48/17/80/555481780.db2.gz DAYCBMVQQRJMOC-UHFFFAOYSA-N 0 0 467.400 6.690 40 0 JKABRN COc1ccc(C(=O)NCCNc2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)cc1 ZINC000013510205 555481945 /nfs/dbraw/zinc/48/19/45/555481945.db2.gz QFCDRNZWIDXZKA-UHFFFAOYSA-N 0 0 464.635 5.468 40 0 JKABRN CCOc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc21 ZINC000013510970 555482855 /nfs/dbraw/zinc/48/28/55/555482855.db2.gz BZBWQAAKKDJHFO-UHFFFAOYSA-N 0 0 456.980 5.536 40 0 JKABRN CCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000013511426 555483039 /nfs/dbraw/zinc/48/30/39/555483039.db2.gz IEDYHFDKIHVILF-GSDHBNRESA-N 0 0 456.542 5.307 40 0 JKABRN Cc1nc2cc(N3CCCCC3)c(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000013511529 555483223 /nfs/dbraw/zinc/48/32/23/555483223.db2.gz PKWDEMUXCCDZKC-UHFFFAOYSA-N 0 0 487.003 5.649 40 0 JKABRN CC(C)(C)c1ccc(Cn2c(=O)c3cc(NC(=O)CCc4ccccc4)ccc3nc2C2CC2)cc1 ZINC000013513554 555484600 /nfs/dbraw/zinc/48/46/00/555484600.db2.gz WCKLCRKLQQYMGA-UHFFFAOYSA-N 0 0 479.624 6.191 40 0 JKABRN CC(C)(C)c1ccc(Cn2c(=O)c3cc(NC(=O)C4CCCCC4)ccc3nc2C2CC2)cc1 ZINC000013513550 555484602 /nfs/dbraw/zinc/48/46/02/555484602.db2.gz RGCBBJWNFYYJNH-UHFFFAOYSA-N 0 0 457.618 6.139 40 0 JKABRN CCCc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000013513573 555484615 /nfs/dbraw/zinc/48/46/15/555484615.db2.gz SDVZYNHNKXPQEU-UHFFFAOYSA-N 0 0 466.368 5.956 40 0 JKABRN C[C@@H](OC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)C/C2=C\c1cccs1)C(=O)NC(N)=O ZINC000013526822 555487517 /nfs/dbraw/zinc/48/75/17/555487517.db2.gz GKEQKDPPRLTCGW-FPDBOZERSA-N 0 0 491.613 5.186 40 0 JKABRN Fc1ccc(Cn2nnnc2[C@H](c2ccc(C(F)(F)F)cc2)N2CCc3ccccc32)cc1 ZINC000013561737 555494806 /nfs/dbraw/zinc/49/48/06/555494806.db2.gz FGBZIFABFRAPKL-QFIPXVFZSA-N 0 0 453.443 5.031 40 0 JKABRN O=C(CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000013561684 555494862 /nfs/dbraw/zinc/49/48/62/555494862.db2.gz AMYFEHTZMIWYEZ-UHFFFAOYSA-N 0 0 453.930 5.216 40 0 JKABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1CCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013561788 555495112 /nfs/dbraw/zinc/49/51/12/555495112.db2.gz KXRULTROXFBIFC-XMMPIXPASA-N 0 0 465.523 5.546 40 0 JKABRN Fc1ccc(Cn2nnnc2[C@@H](c2ccc(C(F)(F)F)cc2)N2CCc3ccccc32)cc1 ZINC000013561738 555495151 /nfs/dbraw/zinc/49/51/51/555495151.db2.gz FGBZIFABFRAPKL-JOCHJYFZSA-N 0 0 453.443 5.031 40 0 JKABRN 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485.547 6.606 40 0 JKABRN CC(=O)Nc1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)cc1 ZINC000019929240 555545716 /nfs/dbraw/zinc/54/57/16/555545716.db2.gz GSYRTDAJSJWFIC-UHFFFAOYSA-N 0 0 462.318 5.344 40 0 JKABRN COCc1nn2c(ncc3c2C[C@@H](/C=C/c2ccccc2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013638469 555545831 /nfs/dbraw/zinc/54/58/31/555545831.db2.gz WVMHAMNBYFEVMA-JBVUFVISSA-N 0 0 469.541 5.018 40 0 JKABRN COc1ccc(Cc2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)cc1OC ZINC000019929186 555545892 /nfs/dbraw/zinc/54/58/92/555545892.db2.gz XIMPYVUECFDCPV-UHFFFAOYSA-N 0 0 479.345 5.327 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccccc1F ZINC000009846224 555546128 /nfs/dbraw/zinc/54/61/28/555546128.db2.gz IHIKRSVROZJXCD-UHFFFAOYSA-N 0 0 460.317 6.068 40 0 JKABRN CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1cc(Cl)ccc1OC ZINC000019929405 555546567 /nfs/dbraw/zinc/54/65/67/555546567.db2.gz NCXGLMPWEXQGRC-UHFFFAOYSA-N 0 0 462.362 5.623 40 0 JKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000019931444 555548754 /nfs/dbraw/zinc/54/87/54/555548754.db2.gz YCZVLHNXWVTIHB-DEOSSOPVSA-N 0 0 452.576 5.209 40 0 JKABRN CCOC(=O)c1ccc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000019931484 555548797 /nfs/dbraw/zinc/54/87/97/555548797.db2.gz RKQRWUGFOFEJSQ-UHFFFAOYSA-N 0 0 486.977 5.187 40 0 JKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000019931442 555548881 /nfs/dbraw/zinc/54/88/81/555548881.db2.gz YCZVLHNXWVTIHB-XMMPIXPASA-N 0 0 452.576 5.209 40 0 JKABRN CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccc(OC)cc1 ZINC000019931458 555548890 /nfs/dbraw/zinc/54/88/90/555548890.db2.gz VDEAODAYYAYNQC-IGKIAQTJSA-N 0 0 495.044 6.004 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000019931845 555549356 /nfs/dbraw/zinc/54/93/56/555549356.db2.gz HIJDLJFFTWZJOO-UHFFFAOYSA-N 0 0 497.620 5.693 40 0 JKABRN COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(OC)cc1Cl ZINC000019931803 555549426 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CCOC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C ZINC000013648800 555553160 /nfs/dbraw/zinc/55/31/60/555553160.db2.gz LTFSHDQBMHTBLF-SANMLTNESA-N 0 0 474.582 5.198 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013648740 555553255 /nfs/dbraw/zinc/55/32/55/555553255.db2.gz DYFMUDZQCMRPDZ-IBGZPJMESA-N 0 0 450.604 5.584 40 0 JKABRN COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935981 555553510 /nfs/dbraw/zinc/55/35/10/555553510.db2.gz NCYXDJNVXNXUFA-JOCHJYFZSA-N 0 0 493.412 5.393 40 0 JKABRN Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000013649740 555553745 /nfs/dbraw/zinc/55/37/45/555553745.db2.gz PZWMAGNZHVLQRD-JOCHJYFZSA-N 0 0 478.658 5.674 40 0 JKABRN Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000013649742 555553792 /nfs/dbraw/zinc/55/37/92/555553792.db2.gz PZWMAGNZHVLQRD-QFIPXVFZSA-N 0 0 478.658 5.674 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2ccc(C)c(Cl)c2)cc1 ZINC000013649662 555553838 /nfs/dbraw/zinc/55/38/38/555553838.db2.gz UTTSNQDZYKVRDP-LJQANCHMSA-N 0 0 469.006 5.130 40 0 JKABRN CCc1cccc(CC)c1NC(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 ZINC000019936229 555554040 /nfs/dbraw/zinc/55/40/40/555554040.db2.gz XSHHLKOWUPEZJW-RUZDIDTESA-N 0 0 480.630 5.211 40 0 JKABRN CCCCc1ccc(NC(=O)C[C@@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936219 555554058 /nfs/dbraw/zinc/55/40/58/555554058.db2.gz GOGJADBYMYYTPK-SANMLTNESA-N 0 0 480.630 5.428 40 0 JKABRN CCc1cccc(CC)c1NC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 ZINC000019937940 555554912 /nfs/dbraw/zinc/55/49/12/555554912.db2.gz YIFLOPSSHNUKKD-UHFFFAOYSA-N 0 0 466.603 5.044 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938032 555555105 /nfs/dbraw/zinc/55/51/05/555555105.db2.gz OPWMUWVPJCSHPU-UHFFFAOYSA-N 0 0 492.519 5.247 40 0 JKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000013667745 555556789 /nfs/dbraw/zinc/55/67/89/555556789.db2.gz PYPZDPHWZOSSSP-MRDQGFSESA-N 0 0 463.002 5.706 40 0 JKABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000013667738 555556808 /nfs/dbraw/zinc/55/68/08/555556808.db2.gz PYPZDPHWZOSSSP-QUGAMOGWSA-N 0 0 463.002 5.706 40 0 JKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000013668365 555557191 /nfs/dbraw/zinc/55/71/91/555557191.db2.gz LITSVEDGJGQTHR-QFIPXVFZSA-N 0 0 482.605 5.674 40 0 JKABRN CC(C)c1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000013668499 555557394 /nfs/dbraw/zinc/55/73/94/555557394.db2.gz RNFRWNXLFWQBMC-JOCHJYFZSA-N 0 0 492.685 6.180 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013668398 555557396 /nfs/dbraw/zinc/55/73/96/555557396.db2.gz YWDRJVIKHYWQDN-FQEVSTJZSA-N 0 0 499.076 6.019 40 0 JKABRN CC(C)c1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000013668498 555557436 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5.411 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2ccc(C)cc2C)ccc1-c1cc2ccccc2oc1=O ZINC000009886753 555562672 /nfs/dbraw/zinc/56/26/72/555562672.db2.gz ZHAPUKMXQLSZEZ-UHFFFAOYSA-N 0 0 458.539 5.212 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1C ZINC000019946911 555563428 /nfs/dbraw/zinc/56/34/28/555563428.db2.gz NZSDDOXFGLVMLR-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccc(C)c(C)c2)cc1 ZINC000019947038 555563430 /nfs/dbraw/zinc/56/34/30/555563430.db2.gz UXFIIJFMMQLUJR-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000013671856 555563518 /nfs/dbraw/zinc/56/35/18/555563518.db2.gz DNCVCTNAIHHOOL-NRFANRHFSA-N 0 0 478.658 5.619 40 0 JKABRN Cc1cc(C)cc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000019947433 555563803 /nfs/dbraw/zinc/56/38/03/555563803.db2.gz QWNNKAIAUJEYKI-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c(C)c1 ZINC000013672186 555563864 /nfs/dbraw/zinc/56/38/64/555563864.db2.gz HONOJBFQOMQJTR-UHFFFAOYSA-N 0 0 480.586 5.150 40 0 JKABRN C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013672085 555563917 /nfs/dbraw/zinc/56/39/17/555563917.db2.gz JVGPBHJIBJMIGW-IBGZPJMESA-N 0 0 468.594 5.196 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)N2CCc3ccccc32)cc1)c1cccc(Cl)c1Cl ZINC000013672155 555563926 /nfs/dbraw/zinc/56/39/26/555563926.db2.gz YSPFXHIVZIKVRC-UHFFFAOYSA-N 0 0 475.397 5.163 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCCc2ccccc2)cc1 ZINC000013672355 555563957 /nfs/dbraw/zinc/56/39/57/555563957.db2.gz OYLBCJAFKFPWHA-UHFFFAOYSA-N 0 0 498.648 5.753 40 0 JKABRN Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000013672989 555564577 /nfs/dbraw/zinc/56/45/77/555564577.db2.gz ZHLGABKPGSDDKI-UHFFFAOYSA-N 0 0 450.604 5.084 40 0 JKABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)Oc3ccccc32)cc1 ZINC000013673066 555564598 /nfs/dbraw/zinc/56/45/98/555564598.db2.gz WEWCKPWNTHZBJW-IBVKSMDESA-N 0 0 492.641 5.126 40 0 JKABRN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)Oc3ccccc32)cc1 ZINC000013673070 555564628 /nfs/dbraw/zinc/56/46/28/555564628.db2.gz WEWCKPWNTHZBJW-FQRUVTKNSA-N 0 0 492.641 5.126 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c(C)c1 ZINC000013673655 555565159 /nfs/dbraw/zinc/56/51/59/555565159.db2.gz JGFIZGWLKHKELV-UHFFFAOYSA-N 0 0 480.586 5.150 40 0 JKABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000013673935 555565431 /nfs/dbraw/zinc/56/54/31/555565431.db2.gz AYWRZWUCMZIEFY-MRXNPFEDSA-N 0 0 489.424 5.551 40 0 JKABRN Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000013674535 555565731 /nfs/dbraw/zinc/56/57/31/555565731.db2.gz LNXCEAICMZNRJX-OAQYLSRUSA-N 0 0 464.631 5.365 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3F)ccc2C)c(C)c1 ZINC000013674932 555565956 /nfs/dbraw/zinc/56/59/56/555565956.db2.gz PYTBMDLRDCAWFK-UHFFFAOYSA-N 0 0 486.634 5.215 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1C ZINC000013675303 555566282 /nfs/dbraw/zinc/56/62/82/555566282.db2.gz IXJGGCGAXDMLAJ-OAQYLSRUSA-N 0 0 478.658 6.201 40 0 JKABRN CN(C(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013676466 555567195 /nfs/dbraw/zinc/56/71/95/555567195.db2.gz ZDJPJHWWJSFNPU-UHFFFAOYSA-N 0 0 456.567 5.359 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)cc1 ZINC000013676188 555567257 /nfs/dbraw/zinc/56/72/57/555567257.db2.gz HKGRXOXCJBYXGG-UHFFFAOYSA-N 0 0 450.560 5.370 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1SCc1ccccc1 ZINC000013677017 555567822 /nfs/dbraw/zinc/56/78/22/555567822.db2.gz XFKITSQWYWWUCM-UHFFFAOYSA-N 0 0 466.628 5.406 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1SCc1ccccc1 ZINC000013677417 555568407 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/nfs/dbraw/zinc/59/44/15/555594415.db2.gz MMBZFMILMFAZQB-XMMPIXPASA-N 0 0 477.630 5.615 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cc1C ZINC000020020033 555596280 /nfs/dbraw/zinc/59/62/80/555596280.db2.gz UJEJEGPQJPXMET-UHFFFAOYSA-N 0 0 496.482 5.280 40 0 JKABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000020020007 555596330 /nfs/dbraw/zinc/59/63/30/555596330.db2.gz MCLYOIDMKJOYIG-LJQANCHMSA-N 0 0 484.643 5.082 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)c1 ZINC000020020330 555596963 /nfs/dbraw/zinc/59/69/63/555596963.db2.gz DVKPQJCGZOKXPV-UHFFFAOYSA-N 0 0 496.482 5.280 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1Cl ZINC000020021083 555598077 /nfs/dbraw/zinc/59/80/77/555598077.db2.gz KPPOHDGWUJKILZ-DEOSSOPVSA-N 0 0 485.005 5.022 40 0 JKABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020022366 555600026 /nfs/dbraw/zinc/60/00/26/555600026.db2.gz 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CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000020038573 555612502 /nfs/dbraw/zinc/61/25/02/555612502.db2.gz BITORDRTQJOPJT-XMMPIXPASA-N 0 0 471.022 5.420 40 0 JKABRN CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000020039034 555612776 /nfs/dbraw/zinc/61/27/76/555612776.db2.gz PJWUEPRBNBAJEC-HSZRJFAPSA-N 0 0 497.488 5.439 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020041148 555613612 /nfs/dbraw/zinc/61/36/12/555613612.db2.gz BJKWJJGNACXQEL-HSZRJFAPSA-N 0 0 456.995 5.111 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000020040705 555613693 /nfs/dbraw/zinc/61/36/93/555613693.db2.gz NISIFZQXBWKLDJ-SFHVURJKSA-N 0 0 456.995 5.106 40 0 JKABRN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013768986 555613703 /nfs/dbraw/zinc/61/37/03/555613703.db2.gz LDXVWFULKHKEMT-BTZRARBUSA-N 0 0 493.431 5.317 40 0 JKABRN 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COc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)ccc1-c1ccc(CO)o1 ZINC000020144824 555664310 /nfs/dbraw/zinc/66/43/10/555664310.db2.gz JRXLNUPGOXUYPM-UHFFFAOYSA-N 0 0 460.324 5.006 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020144814 555664332 /nfs/dbraw/zinc/66/43/32/555664332.db2.gz GHORPXDUKLSMLC-UHFFFAOYSA-N 0 0 464.743 5.651 40 0 JKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020145497 555664770 /nfs/dbraw/zinc/66/47/70/555664770.db2.gz RCGZLIIZOXQTIN-XYOKQWHBSA-N 0 0 463.917 6.321 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020150992 555667568 /nfs/dbraw/zinc/66/75/68/555667568.db2.gz BNGCGHXSWXOPCC-XYOKQWHBSA-N 0 0 454.309 6.658 40 0 JKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000020150913 555667626 /nfs/dbraw/zinc/66/76/26/555667626.db2.gz JVTVCCSZTZBIOG-IZZDOVSWSA-N 0 0 484.335 6.666 40 0 JKABRN O=C(NCc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000013988489 555667681 /nfs/dbraw/zinc/66/76/81/555667681.db2.gz DMCZCVRKWLGEAJ-UHFFFAOYSA-N 0 0 482.194 6.160 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020151121 555667901 /nfs/dbraw/zinc/66/79/01/555667901.db2.gz NSXMWEFGESJDSA-RMKNXTFCSA-N 0 0 454.309 6.658 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020151123 555668284 /nfs/dbraw/zinc/66/82/84/555668284.db2.gz RGUIOLPHBCXMBK-XBXARRHUSA-N 0 0 488.754 7.311 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000014006992 555668571 /nfs/dbraw/zinc/66/85/71/555668571.db2.gz BIVGDVMJVCCMIZ-QGZVFWFLSA-N 0 0 458.967 5.164 40 0 JKABRN O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000020152094 555669352 /nfs/dbraw/zinc/66/93/52/555669352.db2.gz ZAZDDLPHFNSXRN-UHFFFAOYSA-N 0 0 455.750 5.526 40 0 JKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020152305 555669913 /nfs/dbraw/zinc/66/99/13/555669913.db2.gz RXOZVVLIEXOVMS-UHFFFAOYSA-N 0 0 466.946 5.381 40 0 JKABRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1-c1ccc(CO)o1 ZINC000020152449 555670189 /nfs/dbraw/zinc/67/01/89/555670189.db2.gz SFSJXEVSRZTRCV-UHFFFAOYSA-N 0 0 482.945 5.488 40 0 JKABRN O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020152443 555670202 /nfs/dbraw/zinc/67/02/02/555670202.db2.gz ANUJMSAJOBUEKV-UHFFFAOYSA-N 0 0 487.364 6.133 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 ZINC000020152722 555670453 /nfs/dbraw/zinc/67/04/53/555670453.db2.gz VGJAJXYFWDFJMW-UHFFFAOYSA-N 0 0 458.967 5.398 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 ZINC000020152719 555670534 /nfs/dbraw/zinc/67/05/34/555670534.db2.gz JQIBIRZKJGTFSF-UHFFFAOYSA-N 0 0 458.967 5.398 40 0 JKABRN COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1Cl ZINC000010276028 555670604 /nfs/dbraw/zinc/67/06/04/555670604.db2.gz RQMBNOBTRHKNAE-KRWDZBQOSA-N 0 0 481.058 5.070 40 0 JKABRN C[C@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010275876 555670695 /nfs/dbraw/zinc/67/06/95/555670695.db2.gz DRHXTDJBWDJIOZ-GJZGRUSLSA-N 0 0 471.450 5.323 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1Br ZINC000020152979 555671064 /nfs/dbraw/zinc/67/10/64/555671064.db2.gz HFLKWORYTDMXLE-UHFFFAOYSA-N 0 0 489.391 5.035 40 0 JKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1Cl ZINC000020153049 555671268 /nfs/dbraw/zinc/67/12/68/555671268.db2.gz BMZLORDHXAVLFD-UHFFFAOYSA-N 0 0 465.358 5.190 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1Cl ZINC000020153011 555671275 /nfs/dbraw/zinc/67/12/75/555671275.db2.gz NZSJRRTWODFTFE-UHFFFAOYSA-N 0 0 465.358 5.271 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1Cl ZINC000020153015 555671293 /nfs/dbraw/zinc/67/12/93/555671293.db2.gz PULIBLQCAVCAQU-UHFFFAOYSA-N 0 0 465.358 5.271 40 0 JKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1Cl ZINC000020153051 555671298 /nfs/dbraw/zinc/67/12/98/555671298.db2.gz FYCVXBIQGJUQSE-UHFFFAOYSA-N 0 0 485.776 5.535 40 0 JKABRN O=C(NCCSCc1ccccc1F)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000010281338 555672597 /nfs/dbraw/zinc/67/25/97/555672597.db2.gz JESPEFBQWUBJDR-HHHXNRCGSA-N 0 0 494.657 5.306 40 0 JKABRN O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020153752 555672997 /nfs/dbraw/zinc/67/29/97/555672997.db2.gz LDWHOGDETQKGFL-UHFFFAOYSA-N 0 0 467.399 5.351 40 0 JKABRN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1ccc(Cl)cc1Cl ZINC000010298308 555676381 /nfs/dbraw/zinc/67/63/81/555676381.db2.gz NFFQWYJVSNXTQV-INIZCTEOSA-N 0 0 481.130 5.144 40 0 JKABRN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1Cl ZINC000014067947 555676803 /nfs/dbraw/zinc/67/68/03/555676803.db2.gz OFJWRRNFRUUSJH-UHFFFAOYSA-N 0 0 455.996 5.473 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000010300426 555677242 /nfs/dbraw/zinc/67/72/42/555677242.db2.gz SOVVMOBCBDXCOB-UHFFFAOYSA-N 0 0 497.375 5.284 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(C)c1 ZINC000010301001 555677721 /nfs/dbraw/zinc/67/77/21/555677721.db2.gz XFIWJYQDOGTWIN-UHFFFAOYSA-N 0 0 492.519 5.165 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C ZINC000010301491 555678132 /nfs/dbraw/zinc/67/81/32/555678132.db2.gz WZPCRTHZUCRZOR-UHFFFAOYSA-N 0 0 488.993 5.099 40 0 JKABRN Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl ZINC000014069808 555678283 /nfs/dbraw/zinc/67/82/83/555678283.db2.gz BHNJOVXNMFRISX-UHFFFAOYSA-N 0 0 462.189 5.827 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C ZINC000014069893 555678303 /nfs/dbraw/zinc/67/83/03/555678303.db2.gz DMUYTPBUZDBFDS-UHFFFAOYSA-N 0 0 457.770 5.182 40 0 JKABRN COc1ccc(N(CCCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1Cl ZINC000010313851 555678845 /nfs/dbraw/zinc/67/88/45/555678845.db2.gz LWFIGSVMXHMWQW-UHFFFAOYSA-N 0 0 499.338 5.206 40 0 JKABRN Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010314203 555679574 /nfs/dbraw/zinc/67/95/74/555679574.db2.gz BQLRSDQPAPTBBQ-UHFFFAOYSA-N 0 0 472.566 5.627 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2)cc1 ZINC000010314292 555679650 /nfs/dbraw/zinc/67/96/50/555679650.db2.gz XDULYARHJLOLHZ-UHFFFAOYSA-N 0 0 456.567 5.315 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(CC)cc3)cc2)cc1 ZINC000010314409 555679716 /nfs/dbraw/zinc/67/97/16/555679716.db2.gz DCLMZAGFVBCIAW-UHFFFAOYSA-N 0 0 452.576 5.020 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2)cc1 ZINC000010314340 555679808 /nfs/dbraw/zinc/67/98/08/555679808.db2.gz CQVOXRMRSRUJKM-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1NS(=O)(=O)c1ccccc1 ZINC000010314412 555679871 /nfs/dbraw/zinc/67/98/71/555679871.db2.gz YIEBBHBLFQWSHI-UHFFFAOYSA-N 0 0 459.365 5.119 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010314422 555679918 /nfs/dbraw/zinc/67/99/18/555679918.db2.gz BOZQVPAQEZNEFX-UHFFFAOYSA-N 0 0 466.559 5.005 40 0 JKABRN O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000010314329 555679925 /nfs/dbraw/zinc/67/99/25/555679925.db2.gz NROKDIFPVULWJQ-UHFFFAOYSA-N 0 0 456.567 5.330 40 0 JKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000010314480 555680187 /nfs/dbraw/zinc/68/01/87/555680187.db2.gz KIAFAGGCJXBSSI-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000010314528 555680190 /nfs/dbraw/zinc/68/01/90/555680190.db2.gz ATROMWAWHSNTAX-UHFFFAOYSA-N 0 0 458.539 5.840 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCSCc3cccc(Cl)c3)ccc2C)cc1 ZINC000010314563 555680226 /nfs/dbraw/zinc/68/02/26/555680226.db2.gz ZVLWVZKHCCKOQZ-UHFFFAOYSA-N 0 0 489.062 5.421 40 0 JKABRN C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000010314730 555680931 /nfs/dbraw/zinc/68/09/31/555680931.db2.gz KEOFXYWWDZSPPQ-FQEVSTJZSA-N 0 0 499.592 5.231 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010315126 555681591 /nfs/dbraw/zinc/68/15/91/555681591.db2.gz KEPABPNIPAQACE-UHFFFAOYSA-N 0 0 466.559 5.005 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)cc1 ZINC000010315040 555681642 /nfs/dbraw/zinc/68/16/42/555681642.db2.gz DYQGNSSKTOVVIM-UHFFFAOYSA-N 0 0 482.911 6.029 40 0 JKABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3cccc(C)c3)n1CC)CCCC2 ZINC000014082054 555681738 /nfs/dbraw/zinc/68/17/38/555681738.db2.gz JGZNSKSBHWYYBE-UHFFFAOYSA-N 0 0 484.647 5.121 40 0 JKABRN Cc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 ZINC000010324332 555683489 /nfs/dbraw/zinc/68/34/89/555683489.db2.gz OMOMGYLDBPQTNK-UHFFFAOYSA-N 0 0 463.386 5.520 40 0 JKABRN Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)S(C)(=O)=O)c1 ZINC000010324849 555683724 /nfs/dbraw/zinc/68/37/24/555683724.db2.gz AWQQVWFQPJOTKN-NRFANRHFSA-N 0 0 482.671 5.697 40 0 JKABRN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cc(Cl)ccc1OC ZINC000014084706 555683922 /nfs/dbraw/zinc/68/39/22/555683922.db2.gz 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CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000014091395 555684938 /nfs/dbraw/zinc/68/49/38/555684938.db2.gz RSIJYHOIMCFDTP-UHFFFAOYSA-N 0 0 470.023 5.397 40 0 JKABRN COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2C)cc1 ZINC000014091641 555685018 /nfs/dbraw/zinc/68/50/18/555685018.db2.gz CBORQIRHPDZTJG-UHFFFAOYSA-N 0 0 471.797 5.106 40 0 JKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc5ccccc54)cc3C[C@H]2C)cc1 ZINC000010326626 555685123 /nfs/dbraw/zinc/68/51/23/555685123.db2.gz KPVANAJUROBFII-LJQANCHMSA-N 0 0 456.567 5.540 40 0 JKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(Br)c4)cc3C[C@@H]2C)cc1 ZINC000010326674 555685145 /nfs/dbraw/zinc/68/51/45/555685145.db2.gz STQKFIOUSIGJQG-INIZCTEOSA-N 0 0 485.403 5.150 40 0 JKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3C[C@@H]2C)cc1 ZINC000010326732 555685348 /nfs/dbraw/zinc/68/53/48/555685348.db2.gz BNWZJWHWKKCMTQ-HNNXBMFYSA-N 0 0 475.397 5.694 40 0 JKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3C[C@H]2C)cc1 ZINC000010326841 555685352 /nfs/dbraw/zinc/68/53/52/555685352.db2.gz HHCVRUHXJNPPLH-MRXNPFEDSA-N 0 0 474.504 5.406 40 0 JKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cc(Cl)cc(Cl)c4)cc3C[C@H]2C)cc1 ZINC000010326792 555685358 /nfs/dbraw/zinc/68/53/58/555685358.db2.gz GRIYZZGEPWUVQI-OAHLLOKOSA-N 0 0 475.397 5.694 40 0 JKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3C[C@H]2C)cc1 ZINC000010326783 555685420 /nfs/dbraw/zinc/68/54/20/555685420.db2.gz LWZLFNMERZBCRQ-OAHLLOKOSA-N 0 0 475.397 5.694 40 0 JKABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000010326963 555685709 /nfs/dbraw/zinc/68/57/09/555685709.db2.gz XXUDOCJMYYLBGD-INIZCTEOSA-N 0 0 470.978 5.049 40 0 JKABRN CCc1cccc(CC)c1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010327158 555685919 /nfs/dbraw/zinc/68/59/19/555685919.db2.gz HUJQTILZJZKQRG-UHFFFAOYSA-N 0 0 471.022 5.683 40 0 JKABRN CSc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 ZINC000010327145 555685965 /nfs/dbraw/zinc/68/59/65/555685965.db2.gz 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CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1)c1cccc(Cl)c1 ZINC000010329549 555687045 /nfs/dbraw/zinc/68/70/45/555687045.db2.gz ABYFDRMIKNVKHV-UHFFFAOYSA-N 0 0 493.810 5.321 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCSCc3cccc(Cl)c3)c2)cc1 ZINC000010329874 555687084 /nfs/dbraw/zinc/68/70/84/555687084.db2.gz AKHGWOUJUVUVRQ-UHFFFAOYSA-N 0 0 475.035 5.112 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000010329780 555687094 /nfs/dbraw/zinc/68/70/94/555687094.db2.gz MAKIFZSNCOXUAV-UHFFFAOYSA-N 0 0 450.604 5.665 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010331080 555687686 /nfs/dbraw/zinc/68/76/86/555687686.db2.gz DYLFYNUANYNZAA-UHFFFAOYSA-N 0 0 454.567 5.476 40 0 JKABRN CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000010331051 555687736 /nfs/dbraw/zinc/68/77/36/555687736.db2.gz BHTLTKFONYZPSL-UHFFFAOYSA-N 0 0 458.583 5.774 40 0 JKABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000010331916 555688046 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456.995 5.836 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000010333243 555688913 /nfs/dbraw/zinc/68/89/13/555688913.db2.gz XZIXHLWJETVQRQ-UHFFFAOYSA-N 0 0 489.062 5.137 40 0 JKABRN CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000010333841 555689197 /nfs/dbraw/zinc/68/91/97/555689197.db2.gz YNHDACXRNCWDEX-UHFFFAOYSA-N 0 0 452.576 5.181 40 0 JKABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(Br)c(Cl)c1)S(C)(=O)=O ZINC000010334451 555689776 /nfs/dbraw/zinc/68/97/76/555689776.db2.gz CUBSVRUPIKXFLU-UHFFFAOYSA-N 0 0 494.238 5.249 40 0 JKABRN Cc1ccc(N(CCCC(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1C ZINC000010335026 555690073 /nfs/dbraw/zinc/69/00/73/555690073.db2.gz ZDWXBUKYPBTNIW-UHFFFAOYSA-N 0 0 464.631 5.079 40 0 JKABRN CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000010335340 555690387 /nfs/dbraw/zinc/69/03/87/555690387.db2.gz VFKFMXRXKNWLQF-UHFFFAOYSA-N 0 0 456.995 5.583 40 0 JKABRN Cc1ccc(N(CCCC(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1C 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MBFSKEDLVKRHTA-UHFFFAOYSA-N 0 0 455.407 5.022 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000010337814 555692285 /nfs/dbraw/zinc/69/22/85/555692285.db2.gz HSRHCLCMGHZYAA-UHFFFAOYSA-N 0 0 466.456 5.063 40 0 JKABRN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2C)c1 ZINC000014117103 555692393 /nfs/dbraw/zinc/69/23/93/555692393.db2.gz MGEDKLDFIIOEFP-UHFFFAOYSA-N 0 0 451.379 5.049 40 0 JKABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000010338262 555692642 /nfs/dbraw/zinc/69/26/42/555692642.db2.gz XGRLRFWOJBFACJ-SNVBAGLBSA-N 0 0 470.205 5.402 40 0 JKABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000014117358 555692752 /nfs/dbraw/zinc/69/27/52/555692752.db2.gz WUINSKMGOLJKAO-UHFFFAOYSA-N 0 0 493.658 5.657 40 0 JKABRN Cc1ccccc1CNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010338602 555692900 /nfs/dbraw/zinc/69/29/00/555692900.db2.gz VEYXDDWHQYEYKZ-UHFFFAOYSA-N 0 0 477.413 5.198 40 0 JKABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000010338888 555693205 /nfs/dbraw/zinc/69/32/05/555693205.db2.gz ZKXYTOSZJNFVPZ-UHFFFAOYSA-N 0 0 497.831 5.543 40 0 JKABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000014121445 555694465 /nfs/dbraw/zinc/69/44/65/555694465.db2.gz JRJUOWAWRJXSHC-UHFFFAOYSA-N 0 0 451.379 5.223 40 0 JKABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000014121442 555694564 /nfs/dbraw/zinc/69/45/64/555694564.db2.gz PKWPIQFDBMLTLS-UHFFFAOYSA-N 0 0 451.379 5.223 40 0 JKABRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014122257 555695044 /nfs/dbraw/zinc/69/50/44/555695044.db2.gz COIKCCJFPYMRQQ-UHFFFAOYSA-N 0 0 465.604 5.040 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000010357242 555695498 /nfs/dbraw/zinc/69/54/98/555695498.db2.gz OLPIIKCNBXEONT-UHFFFAOYSA-N 0 0 496.938 5.886 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010357951 555695927 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O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(CN2CCOCC2)cc1 ZINC000014273160 555772505 /nfs/dbraw/zinc/77/25/05/555772505.db2.gz TZQDGHROITTXKY-SOFGYWHQSA-N 0 0 457.357 5.738 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000014273159 555772511 /nfs/dbraw/zinc/77/25/11/555772511.db2.gz DXJUDUJBFXQLKK-UHFFFAOYSA-N 0 0 454.162 5.073 40 0 JKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)c2C(N)=O)C1 ZINC000014273309 555772727 /nfs/dbraw/zinc/77/27/27/555772727.db2.gz LFFZDJQKYXRNSJ-AWEZNQCLSA-N 0 0 456.995 6.164 40 0 JKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000014273364 555773089 /nfs/dbraw/zinc/77/30/89/555773089.db2.gz BDVFSEOLALUOOK-UHFFFAOYSA-N 0 0 466.006 5.033 40 0 JKABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000014273431 555773335 /nfs/dbraw/zinc/77/33/35/555773335.db2.gz OKKJUHWBUWVNPD-UHFFFAOYSA-N 0 0 472.372 5.564 40 0 JKABRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000014273512 555773693 /nfs/dbraw/zinc/77/36/93/555773693.db2.gz PTWBJKJZCIUWCQ-UHFFFAOYSA-N 0 0 472.372 5.564 40 0 JKABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc2ccccc2c1 ZINC000014273584 555773936 /nfs/dbraw/zinc/77/39/36/555773936.db2.gz XHSORAINXZDOGT-UHFFFAOYSA-N 0 0 459.933 5.301 40 0 JKABRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2Cl)CC1 ZINC000014273676 555774312 /nfs/dbraw/zinc/77/43/12/555774312.db2.gz ZPEQWKLRTZROMB-UHFFFAOYSA-N 0 0 463.792 7.395 40 0 JKABRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2Cl)CC1 ZINC000014273673 555774333 /nfs/dbraw/zinc/77/43/33/555774333.db2.gz GWVZGZMQXGHHFY-UHFFFAOYSA-N 0 0 463.792 7.395 40 0 JKABRN CC(C)Oc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1 ZINC000014273928 555775059 /nfs/dbraw/zinc/77/50/59/555775059.db2.gz HHKVIGPDKGBOKM-UHFFFAOYSA-N 0 0 487.625 6.210 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1 ZINC000014273913 555775078 /nfs/dbraw/zinc/77/50/78/555775078.db2.gz ADRKNXBGVWDNCQ-UHFFFAOYSA-N 0 0 487.625 6.212 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 ZINC000014273893 555775093 /nfs/dbraw/zinc/77/50/93/555775093.db2.gz MJFOBLFJAPTWHZ-UHFFFAOYSA-N 0 0 487.625 6.212 40 0 JKABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)c(C)c3)nn12 ZINC000014274000 555775360 /nfs/dbraw/zinc/77/53/60/555775360.db2.gz FTBLIOGQRXBANA-UHFFFAOYSA-N 0 0 498.637 5.517 40 0 JKABRN CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 ZINC000014274097 555775611 /nfs/dbraw/zinc/77/56/11/555775611.db2.gz BYNSTSZMXLVCPN-UHFFFAOYSA-N 0 0 487.581 5.194 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1 ZINC000014274046 555775623 /nfs/dbraw/zinc/77/56/23/555775623.db2.gz HBMLRGSFJAXZJH-NTCAYCPXSA-N 0 0 483.593 6.335 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccccc3Cl)cc2)cc1 ZINC000020330647 555775925 /nfs/dbraw/zinc/77/59/25/555775925.db2.gz CSDIMHCZZUPTSU-QFIPXVFZSA-N 0 0 488.993 5.336 40 0 JKABRN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc(OCc2ccccc2)c1 ZINC000014274206 555775990 /nfs/dbraw/zinc/77/59/90/555775990.db2.gz OAMWZIAITAWBQZ-UHFFFAOYSA-N 0 0 480.033 6.036 40 0 JKABRN O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1cccc(OCc2ccccc2)c1 ZINC000014274259 555776104 /nfs/dbraw/zinc/77/61/04/555776104.db2.gz MQLFBQVWMUVIRN-UHFFFAOYSA-N 0 0 477.330 5.433 40 0 JKABRN CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCC2 ZINC000014274282 555776120 /nfs/dbraw/zinc/77/61/20/555776120.db2.gz MCUADFMOLOEETI-UHFFFAOYSA-N 0 0 480.611 5.119 40 0 JKABRN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(OCc2ccccc2)c1 ZINC000014274286 555776151 /nfs/dbraw/zinc/77/61/51/555776151.db2.gz BGGQDEBEGYCCSE-UHFFFAOYSA-N 0 0 495.629 6.669 40 0 JKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000014274235 555776251 /nfs/dbraw/zinc/77/62/51/555776251.db2.gz WURFKRICYUPBJD-UHFFFAOYSA-N 0 0 493.592 5.435 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(I)cc1C ZINC000014274333 555776553 /nfs/dbraw/zinc/77/65/53/555776553.db2.gz SYHGWEXPAFIXCD-UHFFFAOYSA-N 0 0 495.169 5.042 40 0 JKABRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000014274532 555777058 /nfs/dbraw/zinc/77/70/58/555777058.db2.gz RFFAALMKRFFFJJ-YRNVUSSQSA-N 0 0 489.424 6.783 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000014274549 555777113 /nfs/dbraw/zinc/77/71/13/555777113.db2.gz PIPCLLGFNYTGLG-XBXARRHUSA-N 0 0 486.207 7.087 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1c(O)ccc2ccccc21 ZINC000014274545 555777123 /nfs/dbraw/zinc/77/71/23/555777123.db2.gz OLZDHAYRDOLOSD-XYOKQWHBSA-N 0 0 483.376 6.639 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000014274512 555777135 /nfs/dbraw/zinc/77/71/35/555777135.db2.gz DQDSFPGALYVCCK-UHFFFAOYSA-N 0 0 486.380 6.245 40 0 JKABRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1 ZINC000014274562 555777137 /nfs/dbraw/zinc/77/71/37/555777137.db2.gz XQLZYQXCPSVKTM-UXBLZVDNSA-N 0 0 477.369 5.797 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(Br)cc1 ZINC000014274585 555777292 /nfs/dbraw/zinc/77/72/92/555777292.db2.gz FPAMYUUHFNDXTL-JXMROGBWSA-N 0 0 496.213 6.542 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccc2c(Cl)cccc12 ZINC000014274611 555777323 /nfs/dbraw/zinc/77/73/23/555777323.db2.gz HQBMVEPPPQQHOQ-UHFFFAOYSA-N 0 0 492.387 7.082 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccc2c(Cl)cccc12 ZINC000014274632 555777387 /nfs/dbraw/zinc/77/73/87/555777387.db2.gz GCJPGXRHGBDKQL-UHFFFAOYSA-N 0 0 492.387 7.082 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3)nc2c1 ZINC000020342435 555777546 /nfs/dbraw/zinc/77/75/46/555777546.db2.gz JNZCJJZLEVTLGY-AWEZNQCLSA-N 0 0 469.368 7.576 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3)nc2c1 ZINC000020342449 555777531 /nfs/dbraw/zinc/77/75/31/555777531.db2.gz NUTRPQLVOKQMLK-QGZVFWFLSA-N 0 0 470.956 8.174 40 0 JKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 ZINC000014274703 555777541 /nfs/dbraw/zinc/77/75/41/555777541.db2.gz VFDQGIFBMRFOOV-UHFFFAOYSA-N 0 0 480.387 5.947 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc2c(Cl)cccc12 ZINC000014274665 555777547 /nfs/dbraw/zinc/77/75/47/555777547.db2.gz WDTHVQQJXFIOCN-UHFFFAOYSA-N 0 0 475.932 6.567 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)ccc1NC(=O)c1ccccc1 ZINC000014274651 555777555 /nfs/dbraw/zinc/77/75/55/555777555.db2.gz CLKFPPRBQGSFSG-UHFFFAOYSA-N 0 0 473.985 6.181 40 0 JKABRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cccc4c(Cl)cccc34)nn12 ZINC000014274682 555777568 /nfs/dbraw/zinc/77/75/68/555777568.db2.gz ATSYQVLKQZTGNL-UHFFFAOYSA-N 0 0 478.990 5.095 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1C ZINC000014274672 555777587 /nfs/dbraw/zinc/77/75/87/555777587.db2.gz ZXZBERWNENZWPX-UHFFFAOYSA-N 0 0 485.996 7.045 40 0 JKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014274801 555777920 /nfs/dbraw/zinc/77/79/20/555777920.db2.gz XGIVMGYSXWIOKI-UHFFFAOYSA-N 0 0 494.831 6.634 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 ZINC000014274806 555777984 /nfs/dbraw/zinc/77/79/84/555777984.db2.gz OXOONSLLYBBDTC-UHFFFAOYSA-N 0 0 498.446 5.728 40 0 JKABRN COc1c(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc2ccccc2c1Br ZINC000014274818 555778167 /nfs/dbraw/zinc/77/81/67/555778167.db2.gz SRGURGOCMTZHMB-UHFFFAOYSA-N 0 0 484.202 6.045 40 0 JKABRN COc1c(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc2ccccc2c1Br ZINC000014274821 555778179 /nfs/dbraw/zinc/77/81/79/555778179.db2.gz UNBNPKVVIMAHCO-UHFFFAOYSA-N 0 0 484.202 6.045 40 0 JKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)c(F)c1F ZINC000014274872 555778211 /nfs/dbraw/zinc/77/82/11/555778211.db2.gz DTNDLLLMCPYVHG-UHFFFAOYSA-N 0 0 491.491 5.655 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000014274968 555778615 /nfs/dbraw/zinc/77/86/15/555778615.db2.gz PYNLPKDQILMUEN-ZZXKWVIFSA-N 0 0 486.207 7.087 40 0 JKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c(F)c1F ZINC000014274923 555778622 /nfs/dbraw/zinc/77/86/22/555778622.db2.gz RRHHFZVIIWQFJB-UHFFFAOYSA-N 0 0 491.491 5.655 40 0 JKABRN CC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000014274952 555778641 /nfs/dbraw/zinc/77/86/41/555778641.db2.gz GMKRBJQYWSUGQM-VQHVLOKHSA-N 0 0 474.369 5.738 40 0 JKABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000014274947 555778651 /nfs/dbraw/zinc/77/86/51/555778651.db2.gz VSQJYLYJWUTGBT-VIIAAUOXSA-N 0 0 489.424 6.999 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)cc3O)oc2c1 ZINC000014275023 555778905 /nfs/dbraw/zinc/77/89/05/555778905.db2.gz DBZAZAOLJHDVGS-UHFFFAOYSA-N 0 0 493.588 6.154 40 0 JKABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)cc3O)oc2c(C)c1 ZINC000014275039 555778917 /nfs/dbraw/zinc/77/89/17/555778917.db2.gz RPEUCEDYYNOULI-UHFFFAOYSA-N 0 0 486.380 6.251 40 0 JKABRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(OC)c1 ZINC000014274976 555778943 /nfs/dbraw/zinc/77/89/43/555778943.db2.gz BCRKPCTXUZIWJO-VMPITWQZSA-N 0 0 477.369 5.797 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cccc2cc(O)ccc21 ZINC000014275008 555778952 /nfs/dbraw/zinc/77/89/52/555778952.db2.gz MWZWBBUNLTUENX-RMKNXTFCSA-N 0 0 483.376 6.639 40 0 JKABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc(-c2nc3ccccc3s2)c1O ZINC000014275107 555779277 /nfs/dbraw/zinc/77/92/77/555779277.db2.gz HJJGTAXCYDZRLH-DHZHZOJOSA-N 0 0 480.014 6.157 40 0 JKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)ccc3O)oc2c(C)c1 ZINC000014275159 555779765 /nfs/dbraw/zinc/77/97/65/555779765.db2.gz UIVXBMWKPRYRMS-UHFFFAOYSA-N 0 0 493.588 6.611 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(Br)c4)ccc3O)oc2c1 ZINC000014275116 555779769 /nfs/dbraw/zinc/77/97/69/555779769.db2.gz SOPIZANCECVPGT-UHFFFAOYSA-N 0 0 482.359 5.398 40 0 JKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000014275200 555780133 /nfs/dbraw/zinc/78/01/33/555780133.db2.gz VPPVHPLBMLZMJO-UHFFFAOYSA-N 0 0 495.988 6.015 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1 ZINC000014275424 555780588 /nfs/dbraw/zinc/78/05/88/555780588.db2.gz HACTWYCVKLZAAV-UHFFFAOYSA-N 0 0 479.005 6.189 40 0 JKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000014275364 555780627 /nfs/dbraw/zinc/78/06/27/555780627.db2.gz KELCTJJOJNGKFY-UHFFFAOYSA-N 0 0 475.639 6.433 40 0 JKABRN COc1cc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc(OC)c1OC ZINC000014275421 555780640 /nfs/dbraw/zinc/78/06/40/555780640.db2.gz YCUMWGVIGVVXEB-UHFFFAOYSA-N 0 0 496.976 5.036 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000014275402 555780641 /nfs/dbraw/zinc/78/06/41/555780641.db2.gz NRAMFBSNBPUKOC-UHFFFAOYSA-N 0 0 497.432 6.878 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cc(Cl)ccc1Cl ZINC000014275441 555780647 /nfs/dbraw/zinc/78/06/47/555780647.db2.gz YIEKSECHLIEAKH-UHFFFAOYSA-N 0 0 475.788 6.317 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)cc3)nc2c1 ZINC000020353263 555780814 /nfs/dbraw/zinc/78/08/14/555780814.db2.gz JXBOADRTFNGKHL-HNNXBMFYSA-N 0 0 494.016 6.797 40 0 JKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)c3)oc2c1 ZINC000014275486 555780885 /nfs/dbraw/zinc/78/08/85/555780885.db2.gz ASVAVTYMIGWOMF-NTUHNPAUSA-N 0 0 490.028 7.106 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3)nc2c1 ZINC000020353232 555780887 /nfs/dbraw/zinc/78/08/87/555780887.db2.gz VRLCUGGOPLZUNS-OAHLLOKOSA-N 0 0 478.017 7.097 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000020353247 555780912 /nfs/dbraw/zinc/78/09/12/555780912.db2.gz BRVGYUZYJPAWDF-AWEZNQCLSA-N 0 0 498.435 7.442 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc2c1 ZINC000020353320 555781154 /nfs/dbraw/zinc/78/11/54/555781154.db2.gz YSJULTZMABXMIB-GOSISDBHSA-N 0 0 485.653 7.433 40 0 JKABRN Cc1nc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Br ZINC000014275590 555781176 /nfs/dbraw/zinc/78/11/76/555781176.db2.gz GNXFIJFSSUYLJY-UHFFFAOYSA-N 0 0 485.190 5.846 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(I)cn3)o2)cc1Cl ZINC000014275599 555781188 /nfs/dbraw/zinc/78/11/88/555781188.db2.gz ZIEOQAKBWHOFHU-UHFFFAOYSA-N 0 0 497.745 5.035 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)cc3)nc2c1 ZINC000020353343 555781217 /nfs/dbraw/zinc/78/12/17/555781217.db2.gz DMCJNJDMUNXPST-CVDFKLHSSA-N 0 0 490.028 7.188 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)cc3)nc2c1 ZINC000020353349 555781219 /nfs/dbraw/zinc/78/12/19/555781219.db2.gz LWEBXBGIYJVFIR-CFIBSBMNSA-N 0 0 497.664 7.658 40 0 JKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc21 ZINC000014275656 555781394 /nfs/dbraw/zinc/78/13/94/555781394.db2.gz QSVWXKHSJOIWJQ-UHFFFAOYSA-N 0 0 476.410 6.607 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)nc2c(C)c1 ZINC000014275668 555781474 /nfs/dbraw/zinc/78/14/74/555781474.db2.gz BCAHNKKGYIEIDH-UHFFFAOYSA-N 0 0 476.410 6.607 40 0 JKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)nc21 ZINC000014275649 555781481 /nfs/dbraw/zinc/78/14/81/555781481.db2.gz CRCDWTZXTIOMEA-UHFFFAOYSA-N 0 0 476.410 6.607 40 0 JKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Br)cc4)ccc3o2)c1 ZINC000014275688 555781501 /nfs/dbraw/zinc/78/15/01/555781501.db2.gz ROWPLVRMHXTSFT-UHFFFAOYSA-N 0 0 480.387 6.001 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1 ZINC000014275775 555781677 /nfs/dbraw/zinc/78/16/77/555781677.db2.gz VNHDOZFCGDNFRT-UHFFFAOYSA-N 0 0 487.629 5.597 40 0 JKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1 ZINC000014275749 555781704 /nfs/dbraw/zinc/78/17/04/555781704.db2.gz DRKWHLKZMOUQEN-UHFFFAOYSA-N 0 0 477.589 6.851 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1Cl ZINC000014275798 555781717 /nfs/dbraw/zinc/78/17/17/555781717.db2.gz SIZVBXFWYBKIAM-UHFFFAOYSA-N 0 0 478.021 5.941 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 ZINC000014275760 555781742 /nfs/dbraw/zinc/78/17/42/555781742.db2.gz RUQVCGCLUDTQKA-UHFFFAOYSA-N 0 0 497.374 5.096 40 0 JKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000014275800 555781750 /nfs/dbraw/zinc/78/17/50/555781750.db2.gz NIQKLMHQMNOWKN-UHFFFAOYSA-N 0 0 498.439 6.286 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(F)c4)cc3n2)c(C)c1 ZINC000014275856 555781986 /nfs/dbraw/zinc/78/19/86/555781986.db2.gz HGJKDOCVWDDHAK-UHFFFAOYSA-N 0 0 490.608 5.149 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000014275878 555781999 /nfs/dbraw/zinc/78/19/99/555781999.db2.gz VHLVUPGIWOTRRO-UHFFFAOYSA-N 0 0 495.583 5.513 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000014275866 555782002 /nfs/dbraw/zinc/78/20/02/555782002.db2.gz QFSQKMJHISXWRA-UHFFFAOYSA-N 0 0 477.565 5.174 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccco4)cc3n2)c(C)c1 ZINC000014275848 555782090 /nfs/dbraw/zinc/78/20/90/555782090.db2.gz DHXVBCXPWGOKSF-ZRDIBKRKSA-N 0 0 488.617 5.003 40 0 JKABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)c(C)cc1I ZINC000014275965 555782342 /nfs/dbraw/zinc/78/23/42/555782342.db2.gz AJNRDJBLGCDWRT-JXMROGBWSA-N 0 0 478.399 5.558 40 0 JKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)COc4ccccc4)cc3n2)cc1 ZINC000014275907 555782356 /nfs/dbraw/zinc/78/23/56/555782356.db2.gz SIIMXMBBBBIKPW-UHFFFAOYSA-N 0 0 494.020 5.309 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1Cl ZINC000014276034 555782521 /nfs/dbraw/zinc/78/25/21/555782521.db2.gz VGHQYKHEGXSKIV-UHFFFAOYSA-N 0 0 490.006 5.188 40 0 JKABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(Br)cc1Cl ZINC000014276004 555782542 /nfs/dbraw/zinc/78/25/42/555782542.db2.gz RMOLDSZBKRJIKC-UHFFFAOYSA-N 0 0 478.593 5.000 40 0 JKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014275988 555782552 /nfs/dbraw/zinc/78/25/52/555782552.db2.gz BPCAGQNORLASQJ-UHFFFAOYSA-N 0 0 493.721 7.052 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)c1cccs1 ZINC000014276024 555782567 /nfs/dbraw/zinc/78/25/67/555782567.db2.gz LXLPOGCWPBMAQG-UHFFFAOYSA-N 0 0 480.398 5.443 40 0 JKABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000014276012 555782591 /nfs/dbraw/zinc/78/25/91/555782591.db2.gz AHNAXDIJVMVKCT-UHFFFAOYSA-N 0 0 475.795 5.808 40 0 JKABRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000014276219 555783079 /nfs/dbraw/zinc/78/30/79/555783079.db2.gz BIQMSEBROURMIF-UHFFFAOYSA-N 0 0 476.385 5.975 40 0 JKABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000014276237 555783096 /nfs/dbraw/zinc/78/30/96/555783096.db2.gz OXDQHBCEFYZCGG-UHFFFAOYSA-N 0 0 496.803 6.382 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000014276314 555783414 /nfs/dbraw/zinc/78/34/14/555783414.db2.gz DEROOAHARCJWQU-XBXARRHUSA-N 0 0 475.353 5.551 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc2oc(=O)ccc2c1 ZINC000014276315 555783422 /nfs/dbraw/zinc/78/34/22/555783422.db2.gz YJWVOLYJXCQSBO-QPJJXVBHSA-N 0 0 485.348 5.886 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)c(Cl)c1 ZINC000014277105 555785149 /nfs/dbraw/zinc/78/51/49/555785149.db2.gz YQKNUPAVABHEKW-UHFFFAOYSA-N 0 0 497.039 5.237 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1Cl ZINC000014277111 555785164 /nfs/dbraw/zinc/78/51/64/555785164.db2.gz KPBGUVSLBOKOGP-UHFFFAOYSA-N 0 0 497.039 5.237 40 0 JKABRN CC1CCN(c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000014277288 555785681 /nfs/dbraw/zinc/78/56/81/555785681.db2.gz NRFABUGKNSZNPR-UHFFFAOYSA-N 0 0 478.061 6.221 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014277406 555786009 /nfs/dbraw/zinc/78/60/09/555786009.db2.gz YHCUGIVEMSWALA-NSCUHMNNSA-N 0 0 481.248 5.060 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000014277445 555786069 /nfs/dbraw/zinc/78/60/69/555786069.db2.gz JOHRUEZODGAWDG-FMIVXFBMSA-N 0 0 476.319 7.109 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C ZINC000014277434 555786076 /nfs/dbraw/zinc/78/60/76/555786076.db2.gz QTYSHLLLSVYXNL-UHFFFAOYSA-N 0 0 488.341 6.375 40 0 JKABRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc(Br)c1 ZINC000014277572 555786212 /nfs/dbraw/zinc/78/62/12/555786212.db2.gz VURLNKRBJBCVLL-UHFFFAOYSA-N 0 0 478.198 7.285 40 0 JKABRN Cc1cc(OCC(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)ccc1Cl ZINC000014277554 555786225 /nfs/dbraw/zinc/78/62/25/555786225.db2.gz KKWNSQWWNHUKMH-UHFFFAOYSA-N 0 0 477.800 7.249 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc(OCC)c1OCC ZINC000014277636 555786584 /nfs/dbraw/zinc/78/65/84/555786584.db2.gz NCJOGDKGUZREOS-UHFFFAOYSA-N 0 0 476.598 6.720 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000014277713 555786588 /nfs/dbraw/zinc/78/65/88/555786588.db2.gz HDURDTCIMIPBDT-UHFFFAOYSA-N 0 0 474.314 6.066 40 0 JKABRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014277691 555786601 /nfs/dbraw/zinc/78/66/01/555786601.db2.gz FBLCCJFDAFJULM-JLHYYAGUSA-N 0 0 488.374 7.757 40 0 JKABRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1sc2ccccc2c1Cl ZINC000014277744 555786847 /nfs/dbraw/zinc/78/68/47/555786847.db2.gz YXHMFGLUBYBBFS-UHFFFAOYSA-N 0 0 473.768 7.922 40 0 JKABRN Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5cc(Cl)cc(Cl)c5)o4)cc3)nc2c1 ZINC000014277937 555787119 /nfs/dbraw/zinc/78/71/19/555787119.db2.gz GJCVNMULPNJSKL-DHZHZOJOSA-N 0 0 489.358 8.022 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000014277862 555787167 /nfs/dbraw/zinc/78/71/67/555787167.db2.gz OOMDSIXHCFCFAC-UHFFFAOYSA-N 0 0 489.786 7.839 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000014277934 555787210 /nfs/dbraw/zinc/78/72/10/555787210.db2.gz YIYNVEZRSAAFPC-ZRDIBKRKSA-N 0 0 475.331 7.714 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000014277935 555787229 /nfs/dbraw/zinc/78/72/29/555787229.db2.gz PCTZLVFWSQINEF-UHFFFAOYSA-N 0 0 487.353 6.980 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1c(F)c(F)c(OC)c(F)c1F ZINC000014278053 555787381 /nfs/dbraw/zinc/78/73/81/555787381.db2.gz ABSZNYGKKQUAEZ-UHFFFAOYSA-N 0 0 488.437 6.444 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000014278036 555787404 /nfs/dbraw/zinc/78/74/04/555787404.db2.gz NDRVDBTZJARQEV-UHFFFAOYSA-N 0 0 499.792 7.295 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000014277977 555787424 /nfs/dbraw/zinc/78/74/24/555787424.db2.gz BSBNBUUBBFETLH-ZRDIBKRKSA-N 0 0 489.358 7.391 40 0 JKABRN COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)n2)cc1OC ZINC000014278152 555787733 /nfs/dbraw/zinc/78/77/33/555787733.db2.gz BPLWPFXARPAJON-UHFFFAOYSA-N 0 0 475.353 6.646 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000014278150 555787735 /nfs/dbraw/zinc/78/77/35/555787735.db2.gz XEMZRILSIBHZOY-CSKARUKUSA-N 0 0 491.399 8.182 40 0 JKABRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000014278144 555787744 /nfs/dbraw/zinc/78/77/44/555787744.db2.gz GWJAKEDUSWKZEC-UHFFFAOYSA-N 0 0 475.367 7.238 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)c1Cl ZINC000014278120 555787748 /nfs/dbraw/zinc/78/77/48/555787748.db2.gz XTOYNMXKNWVVPD-UHFFFAOYSA-N 0 0 484.619 7.198 40 0 JKABRN CCCCCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C(C)C ZINC000011565919 555787890 /nfs/dbraw/zinc/78/78/90/555787890.db2.gz GLKXAGQFOFDHIL-UHFFFAOYSA-N 0 0 458.668 5.507 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000014278179 555787971 /nfs/dbraw/zinc/78/79/71/555787971.db2.gz PABNAUAFQUFGNN-UHFFFAOYSA-N 0 0 487.353 6.980 40 0 JKABRN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccc2c(Cl)cccc12 ZINC000014278264 555787978 /nfs/dbraw/zinc/78/79/78/555787978.db2.gz GIMXARFBZHBWLL-UHFFFAOYSA-N 0 0 483.354 8.360 40 0 JKABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 ZINC000020411006 555788097 /nfs/dbraw/zinc/78/80/97/555788097.db2.gz SYYWJABFHMMACT-UHFFFAOYSA-N 0 0 451.504 5.191 40 0 JKABRN O=C(Nc1nc2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2s1)c1ccco1 ZINC000020411014 555788105 /nfs/dbraw/zinc/78/81/05/555788105.db2.gz GLHFKDNCZVDGMP-UHFFFAOYSA-N 0 0 469.522 5.973 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C5CCCCC5)cc4)ccc3o2)cc1Cl ZINC000014278344 555788249 /nfs/dbraw/zinc/78/82/49/555788249.db2.gz ZXWVIWMJUJNHPT-UHFFFAOYSA-N 0 0 474.988 7.522 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000014278280 555788277 /nfs/dbraw/zinc/78/82/77/555788277.db2.gz LKOLMGAPQOBZIL-MDWZMJQESA-N 0 0 499.364 7.071 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000014278293 555788299 /nfs/dbraw/zinc/78/82/99/555788299.db2.gz XGCUZHABZYFTLF-UHFFFAOYSA-N 0 0 489.358 7.730 40 0 JKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc3o2)cc1 ZINC000020411248 555788460 /nfs/dbraw/zinc/78/84/60/555788460.db2.gz XFYMMQOZYYKQTF-UHFFFAOYSA-N 0 0 481.404 8.392 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1Cl ZINC000014278433 555788590 /nfs/dbraw/zinc/78/85/90/555788590.db2.gz NQFBOGHARWYXKB-UHFFFAOYSA-N 0 0 477.735 5.650 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1Cl ZINC000014278442 555788593 /nfs/dbraw/zinc/78/85/93/555788593.db2.gz IUZKOIQMEYVWHO-UHFFFAOYSA-N 0 0 493.753 6.154 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000014278379 555788597 /nfs/dbraw/zinc/78/85/97/555788597.db2.gz JSYKVNGDEBJKKK-UHFFFAOYSA-N 0 0 478.951 7.353 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(I)c4)cc3n2)cc1 ZINC000014278457 555788606 /nfs/dbraw/zinc/78/86/06/555788606.db2.gz DAJUSPOREVMPSM-UHFFFAOYSA-N 0 0 482.325 5.148 40 0 JKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3n2)cc1 ZINC000014278467 555788609 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555790014 /nfs/dbraw/zinc/79/00/14/555790014.db2.gz UJIXZVSFVWNYSJ-UHFFFAOYSA-N 0 0 476.315 7.279 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000020412171 555790085 /nfs/dbraw/zinc/79/00/85/555790085.db2.gz VZANHAIDRRHBBA-ACCUITESSA-N 0 0 484.379 7.395 40 0 JKABRN O=C(NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(Cl)c1Cl ZINC000020412237 555790096 /nfs/dbraw/zinc/79/00/96/555790096.db2.gz KHWNZSSEOQWUKQ-UHFFFAOYSA-N 0 0 451.375 5.610 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)OC4CCCCC4)cc3)o2)cc1Cl ZINC000020412174 555790106 /nfs/dbraw/zinc/79/01/06/555790106.db2.gz UIAWDWKHOWOUPA-JQIJEIRASA-N 0 0 463.961 7.050 40 0 JKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020412189 555790167 /nfs/dbraw/zinc/79/01/67/555790167.db2.gz XELXEHZTMGOVRY-UHFFFAOYSA-N 0 0 458.341 6.995 40 0 JKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl ZINC000020412248 555790177 /nfs/dbraw/zinc/79/01/77/555790177.db2.gz XLVGKEMXQWKWEC-UHFFFAOYSA-N 0 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ZINC000014279284 555790803 /nfs/dbraw/zinc/79/08/03/555790803.db2.gz CSLDQEUOZJFLDT-UHFFFAOYSA-N 0 0 478.420 5.076 40 0 JKABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000014279301 555790840 /nfs/dbraw/zinc/79/08/40/555790840.db2.gz ROGWVSSOPFHXPK-UHFFFAOYSA-N 0 0 486.399 5.954 40 0 JKABRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2Cl)CC1 ZINC000014279367 555791135 /nfs/dbraw/zinc/79/11/35/555791135.db2.gz KWCHROYRUUBBPE-UHFFFAOYSA-N 0 0 492.790 5.828 40 0 JKABRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2Cl)CC1 ZINC000014279352 555791147 /nfs/dbraw/zinc/79/11/47/555791147.db2.gz UMASLVICYKCDAD-UHFFFAOYSA-N 0 0 492.790 5.828 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020461243 555791333 /nfs/dbraw/zinc/79/13/33/555791333.db2.gz VIYOLVJZCMRBAA-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000014291038 555791843 /nfs/dbraw/zinc/79/18/43/555791843.db2.gz WNWCZRVZRFPCLU-UHFFFAOYSA-N 0 0 482.027 6.582 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1Cl ZINC000014291044 555791908 /nfs/dbraw/zinc/79/19/08/555791908.db2.gz JFMROAKAWUNREJ-UHFFFAOYSA-N 0 0 484.427 5.967 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000014291050 555791914 /nfs/dbraw/zinc/79/19/14/555791914.db2.gz STRXLKBEJDAIPI-UHFFFAOYSA-N 0 0 484.427 5.642 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cccc4ccccc43)CC2)cc1 ZINC000014291201 555792538 /nfs/dbraw/zinc/79/25/38/555792538.db2.gz ODHAHGSJLPEQRT-UHFFFAOYSA-N 0 0 483.999 6.016 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 ZINC000020528543 555792621 /nfs/dbraw/zinc/79/26/21/555792621.db2.gz JHOWKZYNGWXQNL-MHWRWJLKSA-N 0 0 497.639 5.498 40 0 JKABRN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000020528510 555792629 /nfs/dbraw/zinc/79/26/29/555792629.db2.gz ITNWVSQQYSWHIY-CAOOACKPSA-N 0 0 469.585 5.090 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)c(Cl)c1 ZINC000020528533 555792643 /nfs/dbraw/zinc/79/26/43/555792643.db2.gz CNHAQIUKWUXRKL-UHFFFAOYSA-N 0 0 498.838 5.602 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3)CC2)cc1 ZINC000020528568 555792706 /nfs/dbraw/zinc/79/27/06/555792706.db2.gz AKFYNNBTFKCUNF-UHFFFAOYSA-N 0 0 499.655 5.661 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000014291230 555792813 /nfs/dbraw/zinc/79/28/13/555792813.db2.gz LPQYJIWGGXLURC-UHFFFAOYSA-N 0 0 490.047 6.161 40 0 JKABRN COc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000014291234 555792843 /nfs/dbraw/zinc/79/28/43/555792843.db2.gz DECCYQXQYHRLJK-UHFFFAOYSA-N 0 0 498.410 5.525 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3ccc(C)cc3C)CC2)cc1 ZINC000014291264 555793078 /nfs/dbraw/zinc/79/30/78/555793078.db2.gz PDAKAPBGJQASCR-UHFFFAOYSA-N 0 0 492.019 5.245 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000020528737 555793258 /nfs/dbraw/zinc/79/32/58/555793258.db2.gz KCXQTZMONSVOKJ-UHFFFAOYSA-N 0 0 471.145 5.038 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000020528927 555793518 /nfs/dbraw/zinc/79/35/18/555793518.db2.gz AKMDHZONIRFJSU-UHFFFAOYSA-N 0 0 476.020 5.954 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000020529087 555794020 /nfs/dbraw/zinc/79/40/20/555794020.db2.gz SORVMKBOZYETJL-FRKPEAEDSA-N 0 0 474.004 5.517 40 0 JKABRN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1 ZINC000020529121 555794102 /nfs/dbraw/zinc/79/41/02/555794102.db2.gz QLOCGRDJXMUDHQ-UHFFFAOYSA-N 0 0 458.002 5.076 40 0 JKABRN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000020530587 555797719 /nfs/dbraw/zinc/79/77/19/555797719.db2.gz QDFHQJAAAKSYIS-UHFFFAOYSA-N 0 0 489.910 5.732 40 0 JKABRN C[C@H](OC(=O)C12C[C@H]3C[C@H](CC(O)(C3)C1)C2)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000014359217 555798391 /nfs/dbraw/zinc/79/83/91/555798391.db2.gz 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555811137 /nfs/dbraw/zinc/81/11/37/555811137.db2.gz MTGZIMGGPQCFRR-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2cc(C)ccc2C)cc1 ZINC000014412362 555811468 /nfs/dbraw/zinc/81/14/68/555811468.db2.gz QNWSYQPYMOCOOC-UHFFFAOYSA-N 0 0 476.520 5.465 40 0 JKABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000014412452 555811737 /nfs/dbraw/zinc/81/17/37/555811737.db2.gz JJPAAFPRQZINPP-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000014412934 555812033 /nfs/dbraw/zinc/81/20/33/555812033.db2.gz LKAQXFINTYOKKR-UHFFFAOYSA-N 0 0 479.385 5.499 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000014413524 555812633 /nfs/dbraw/zinc/81/26/33/555812633.db2.gz HPCGDWTXJALXRN-UHFFFAOYSA-N 0 0 454.567 5.311 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000014413684 555812927 /nfs/dbraw/zinc/81/29/27/555812927.db2.gz XVOZNDVIHZXPQR-UHFFFAOYSA-N 0 0 450.604 5.569 40 0 JKABRN CCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014414728 555813525 /nfs/dbraw/zinc/81/35/25/555813525.db2.gz LBPSGQWQAROTMG-UHFFFAOYSA-N 0 0 471.450 5.026 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000014414613 555813564 /nfs/dbraw/zinc/81/35/64/555813564.db2.gz ZLIDSDLYKFQKRV-UHFFFAOYSA-N 0 0 485.049 5.115 40 0 JKABRN COc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1Br ZINC000014605064 555835614 /nfs/dbraw/zinc/83/56/14/555835614.db2.gz CLOLUGIQVBUXHQ-UHFFFAOYSA-N 0 0 468.170 5.596 40 0 JKABRN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccccc32)cc1 ZINC000014607256 555835940 /nfs/dbraw/zinc/83/59/40/555835940.db2.gz HLOJMIJUOUAVTF-RLWLMLJZSA-N 0 0 486.593 5.964 40 0 JKABRN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccccc32)cc1 ZINC000014607254 555835962 /nfs/dbraw/zinc/83/59/62/555835962.db2.gz HLOJMIJUOUAVTF-QFQXNSOFSA-N 0 0 486.593 5.964 40 0 JKABRN CCC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000014607278 555836159 /nfs/dbraw/zinc/83/61/59/555836159.db2.gz UUKVGLNMINHDGO-UUOWRZLLSA-N 0 0 469.006 5.812 40 0 JKABRN CCC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000014607276 555836191 /nfs/dbraw/zinc/83/61/91/555836191.db2.gz UUKVGLNMINHDGO-MHECFPHRSA-N 0 0 469.006 5.812 40 0 JKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000014665355 555837085 /nfs/dbraw/zinc/83/70/85/555837085.db2.gz WOCIYZWPTHYCBN-HXUWFJFHSA-N 0 0 480.630 5.808 40 0 JKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccc(I)cc1 ZINC000014651670 555837204 /nfs/dbraw/zinc/83/72/04/555837204.db2.gz BEOZSIYXWFFBLV-UHFFFAOYSA-N 0 0 460.109 5.095 40 0 JKABRN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2cccc4c2N(C3=O)C(C)(C)C[C@]4(C)c2ccccc2)c1 ZINC000014671818 555837378 /nfs/dbraw/zinc/83/73/78/555837378.db2.gz YILFWOLZHCMRKA-LOYHVIPDSA-N 0 0 482.649 6.071 40 0 JKABRN 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COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000022110717 555877859 /nfs/dbraw/zinc/87/78/59/555877859.db2.gz FZQZVXRDTXBHJJ-UHFFFAOYSA-N 0 0 466.538 5.087 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000022110674 555877948 /nfs/dbraw/zinc/87/79/48/555877948.db2.gz QREMTAWYYVLEOI-UHFFFAOYSA-N 0 0 468.582 6.092 40 0 JKABRN S=c1[nH]nc(-c2ccncc2)n1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022110839 555877963 /nfs/dbraw/zinc/87/79/63/555877963.db2.gz DEBDDUZKWBGUNQ-UHFFFAOYSA-N 0 0 458.374 5.632 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(OCc2ccccc2Cl)c1 ZINC000022110821 555877988 /nfs/dbraw/zinc/87/79/88/555877988.db2.gz YALBPVDELHXDKL-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2OC)cc(Cl)c1OCc1ccccc1 ZINC000022110940 555878197 /nfs/dbraw/zinc/87/81/97/555878197.db2.gz AEBLUMSGTSIFJY-UHFFFAOYSA-N 0 0 497.020 5.991 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022111065 555878312 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Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CCCN4C(=O)Oc4ccccc4)cc3)sc2c1 ZINC000015222104 555885526 /nfs/dbraw/zinc/88/55/26/555885526.db2.gz RCLOSWBGFGDTDD-JOCHJYFZSA-N 0 0 457.555 5.874 40 0 JKABRN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000015225682 555886762 /nfs/dbraw/zinc/88/67/62/555886762.db2.gz YFPUHFZCVOZYIZ-UHFFFAOYSA-N 0 0 468.516 6.369 40 0 JKABRN Cc1cc(Br)c(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1C ZINC000015228359 555888084 /nfs/dbraw/zinc/88/80/84/555888084.db2.gz RRBZODUHGCNOGA-VWLOTQADSA-N 0 0 493.445 5.977 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000015230423 555889245 /nfs/dbraw/zinc/88/92/45/555889245.db2.gz RTIBRYDJKWNUPH-LYBHJNIJSA-N 0 0 450.560 5.024 40 0 JKABRN CCc1cccc(CC)c1NC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022231862 555890823 /nfs/dbraw/zinc/89/08/23/555890823.db2.gz IILLYRQESCURES-UHFFFAOYSA-N 0 0 480.630 5.104 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232153 555891461 /nfs/dbraw/zinc/89/14/61/555891461.db2.gz LSIIRBWTJHWEEU-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN CSc1cccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000022232230 555891637 /nfs/dbraw/zinc/89/16/37/555891637.db2.gz IQVAXCAOJUAYEU-UHFFFAOYSA-N 0 0 491.034 5.046 40 0 JKABRN Nc1c2cc3c(nc2sc1C(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21)CCC3 ZINC000015276960 555892281 /nfs/dbraw/zinc/89/22/81/555892281.db2.gz ILNWQUYSBQSFMS-UHFFFAOYSA-N 0 0 483.540 6.829 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000022233062 555893094 /nfs/dbraw/zinc/89/30/94/555893094.db2.gz DZIBQFRMEDTPID-UHFFFAOYSA-N 0 0 495.000 5.477 40 0 JKABRN Cc1ccc(S(=O)(=O)/N=c2\scc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1 ZINC000012040534 555893250 /nfs/dbraw/zinc/89/32/50/555893250.db2.gz OLHVAFDFEYWQTB-GYHWCHFESA-N 0 0 485.428 5.566 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000022233569 555893611 /nfs/dbraw/zinc/89/36/11/555893611.db2.gz OLWMAPSRXOYQOH-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015303808 555893959 /nfs/dbraw/zinc/89/39/59/555893959.db2.gz MAHQBBUKRGJUPB-UHFFFAOYSA-N 0 0 496.243 5.017 40 0 JKABRN CCn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2cc(Cl)ccc21 ZINC000022235059 555894193 /nfs/dbraw/zinc/89/41/93/555894193.db2.gz LDGVJVVGOZDAAJ-UHFFFAOYSA-N 0 0 462.777 5.965 40 0 JKABRN Cc1ccc(-c2nn3c(C(=O)Nc4cccc(Cl)c4)c(-c4ccccc4)c4c3n2CCCC4)cc1 ZINC000015304595 555894348 /nfs/dbraw/zinc/89/43/48/555894348.db2.gz HVUMGBFKVILZLJ-UHFFFAOYSA-N 0 0 480.999 7.020 40 0 JKABRN CCn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236979 555894413 /nfs/dbraw/zinc/89/44/13/555894413.db2.gz OIDZCBUERFBYFZ-UHFFFAOYSA-N 0 0 498.888 6.177 40 0 JKABRN CCn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236793 555894422 /nfs/dbraw/zinc/89/44/22/555894422.db2.gz SGVBTTOIPHINQF-UHFFFAOYSA-N 0 0 463.670 6.253 40 0 JKABRN CCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236814 555894425 /nfs/dbraw/zinc/89/44/25/555894425.db2.gz KWARSGMDOJKNKJ-UHFFFAOYSA-N 0 0 462.777 5.965 40 0 JKABRN CCn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236958 555894473 /nfs/dbraw/zinc/89/44/73/555894473.db2.gz NSMKDVVNCYIRSB-UHFFFAOYSA-N 0 0 468.500 6.444 40 0 JKABRN CCn1cc(C(=O)Nc2ccc(Br)cc2F)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236801 555894484 /nfs/dbraw/zinc/89/44/84/555894484.db2.gz ATYFBLGSUCNVME-UHFFFAOYSA-N 0 0 457.221 5.194 40 0 JKABRN CCCCc1ccc(NC2=C[C@H](c3ccc(Cl)cc3)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015304741 555894737 /nfs/dbraw/zinc/89/47/37/555894737.db2.gz OCCSBXJLHLLLHX-GDLZYMKVSA-N 0 0 473.060 8.109 40 0 JKABRN CCn1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237050 555894735 /nfs/dbraw/zinc/89/47/35/555894735.db2.gz FIQPHSIWJFXUNW-UHFFFAOYSA-N 0 0 474.460 5.294 40 0 JKABRN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000015305883 555895044 /nfs/dbraw/zinc/89/50/44/555895044.db2.gz POQQUXSSROHMIP-KGENOOAVSA-N 0 0 481.289 5.215 40 0 JKABRN C/C=C/Cn1c(-c2ccc(OC(=O)c3ccccc3)cc2)cs/c1=N\S(=O)(=O)c1cccs1 ZINC000012042583 555895171 /nfs/dbraw/zinc/89/51/71/555895171.db2.gz NWGHOZHLPLAXDQ-UTRFPISYSA-N 0 0 496.635 5.363 40 0 JKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(I)cc1 ZINC000022245807 555896152 /nfs/dbraw/zinc/89/61/52/555896152.db2.gz AOEJXJBCUDOGFT-UHFFFAOYSA-N 0 0 453.280 5.191 40 0 JKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022246115 555896176 /nfs/dbraw/zinc/89/61/76/555896176.db2.gz NZPZCSLFHOILMW-UHFFFAOYSA-N 0 0 464.488 5.315 40 0 JKABRN CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)NC1CCCCC1 ZINC000015318943 555897287 /nfs/dbraw/zinc/89/72/87/555897287.db2.gz LBTBSRAMPLSCLN-BYXVTNLJSA-N 0 0 451.950 5.071 40 0 JKABRN CC[C@@H](C(=O)c1ccc(Br)cc1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC)C(=O)OC ZINC000015320966 555898174 /nfs/dbraw/zinc/89/81/74/555898174.db2.gz ACMUTRQCLIARHL-MSOLQXFVSA-N 0 0 481.770 5.057 40 0 JKABRN COc1ccc(/C=C\c2nc3ccccc3nc2OCc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000015321288 555898450 /nfs/dbraw/zinc/89/84/50/555898450.db2.gz JMDJXKJBOKDUEN-ATVHPVEESA-N 0 0 454.526 5.953 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c2ccccc2)cc1 ZINC000015322057 555898793 /nfs/dbraw/zinc/89/87/93/555898793.db2.gz LUBMVSBWFZLBQV-VWLOTQADSA-N 0 0 483.033 5.342 40 0 JKABRN COc1cc(C(=O)Nc2ccc(C(C)C)cc2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253395 555901806 /nfs/dbraw/zinc/90/18/06/555901806.db2.gz KFAJPWRNVYPJPW-UHFFFAOYSA-N 0 0 482.602 5.046 40 0 JKABRN Cc1cccc(-c2noc(CNS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c1 ZINC000022255287 555903150 /nfs/dbraw/zinc/90/31/50/555903150.db2.gz DAEDYQKJXRSIOK-UHFFFAOYSA-N 0 0 455.624 5.894 40 0 JKABRN Cc1ccc(-c2noc(CN(CC(C)C)C(=O)c3cccc(OCc4ccccc4Cl)c3)n2)cc1 ZINC000022255438 555903479 /nfs/dbraw/zinc/90/34/79/555903479.db2.gz YPSWXSLGTGWQHA-UHFFFAOYSA-N 0 0 490.003 6.576 40 0 JKABRN CC[C@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255400 555903498 /nfs/dbraw/zinc/90/34/98/555903498.db2.gz APMUEAJLHPSRJH-FQEVSTJZSA-N 0 0 490.003 6.718 40 0 JKABRN Cc1ccc(N2CCC[C@@H](C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4Cl)no3)C2)cc1 ZINC000022255991 555904074 /nfs/dbraw/zinc/90/40/74/555904074.db2.gz GROHHHWUGMDRCE-MRXNPFEDSA-N 0 0 459.377 5.227 40 0 JKABRN Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C(C)C)C2)cc1 ZINC000022255900 555904181 /nfs/dbraw/zinc/90/41/81/555904181.db2.gz DJQXKZFEJGNTRR-HXUWFJFHSA-N 0 0 452.986 5.352 40 0 JKABRN CC[C@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022255939 555904193 /nfs/dbraw/zinc/90/41/93/555904193.db2.gz GGVCXRVQGSHMTB-PZJWPPBQSA-N 0 0 467.013 5.742 40 0 JKABRN CC[C@H](C)N(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256170 555904204 /nfs/dbraw/zinc/90/42/04/555904204.db2.gz FLUNPANPDZGRHI-RBBKRZOGSA-N 0 0 462.594 5.097 40 0 JKABRN O=C(Nc1ccc(I)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258126 555905526 /nfs/dbraw/zinc/90/55/26/555905526.db2.gz VPDQZYROINTCJY-UHFFFAOYSA-N 0 0 463.702 5.776 40 0 JKABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(C)C)cc2)cc1C ZINC000022268295 555907016 /nfs/dbraw/zinc/90/70/16/555907016.db2.gz GQGFWNNYUJUSPA-VWLOTQADSA-N 0 0 480.630 5.045 40 0 JKABRN Cc1cc(Br)ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000012105660 555908093 /nfs/dbraw/zinc/90/80/93/555908093.db2.gz YCOXQRFUFFBSDX-UHFFFAOYSA-N 0 0 493.430 5.660 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000015418988 555908090 /nfs/dbraw/zinc/90/80/90/555908090.db2.gz KTDNNKKJEDUYEV-UHFFFAOYSA-N 0 0 450.951 5.327 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3cccc(Cl)c3)cc2)cc1 ZINC000015439062 555909172 /nfs/dbraw/zinc/90/91/72/555909172.db2.gz QRDSMPMFSSWVRZ-UHFFFAOYSA-N 0 0 477.007 5.021 40 0 JKABRN Cc1ccccc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000022273837 555910407 /nfs/dbraw/zinc/91/04/07/555910407.db2.gz RYQGILLWCHDDIA-UHFFFAOYSA-N 0 0 472.566 5.621 40 0 JKABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000022274216 555911007 /nfs/dbraw/zinc/91/10/07/555911007.db2.gz XXUHCYQACBHZNY-UHFFFAOYSA-N 0 0 450.947 5.327 40 0 JKABRN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 ZINC000022274313 555911026 /nfs/dbraw/zinc/91/10/26/555911026.db2.gz JBWAHYUPHGZEKN-UHFFFAOYSA-N 0 0 495.398 5.436 40 0 JKABRN Cc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1C ZINC000022274521 555911265 /nfs/dbraw/zinc/91/12/65/555911265.db2.gz PKDAIMSJOCALKS-UHFFFAOYSA-N 0 0 462.493 5.156 40 0 JKABRN Cc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022274586 555911529 /nfs/dbraw/zinc/91/15/29/555911529.db2.gz VMUAMGNCNVAXMY-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022274697 555911537 /nfs/dbraw/zinc/91/15/37/555911537.db2.gz XKJOETPMNOFQND-UHFFFAOYSA-N 0 0 499.803 5.489 40 0 JKABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 ZINC000022274621 555911594 /nfs/dbraw/zinc/91/15/94/555911594.db2.gz GXPARUCSPMDGOO-UHFFFAOYSA-N 0 0 485.392 5.981 40 0 JKABRN CC(C)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274599 555911644 /nfs/dbraw/zinc/91/16/44/555911644.db2.gz MBOLZXSFMQONKS-UHFFFAOYSA-N 0 0 477.413 5.951 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022275085 555911831 /nfs/dbraw/zinc/91/18/31/555911831.db2.gz AYUUKNIHBQUYDN-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022274892 555911874 /nfs/dbraw/zinc/91/18/74/555911874.db2.gz IISNBVCXLCTBAC-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000022274858 555911879 /nfs/dbraw/zinc/91/18/79/555911879.db2.gz OBIDZLYFNMFOJG-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN Cc1c(Cl)cccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022274980 555911881 /nfs/dbraw/zinc/91/18/81/555911881.db2.gz AIZLNFLEFAKXRO-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cc(C)ccc2C)cc1 ZINC000022275488 555912381 /nfs/dbraw/zinc/91/23/81/555912381.db2.gz RJNQXZLIBYALOM-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2cc(C)ccc2C)cc1 ZINC000022275465 555912460 /nfs/dbraw/zinc/91/24/60/555912460.db2.gz KTYVMNIGJSTMNS-UHFFFAOYSA-N 0 0 450.604 5.569 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275596 555912751 /nfs/dbraw/zinc/91/27/51/555912751.db2.gz BLAUGSGOKASAIW-UHFFFAOYSA-N 0 0 450.604 5.515 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccc(C(C)C)cc2)cc1 ZINC000022275745 555912801 /nfs/dbraw/zinc/91/28/01/555912801.db2.gz UVYWBCBRCOANBU-UHFFFAOYSA-N 0 0 456.995 5.606 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1cccc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000022275605 555912814 /nfs/dbraw/zinc/91/28/14/555912814.db2.gz NGNMEKVLOUTJTD-UHFFFAOYSA-N 0 0 458.583 5.545 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C(C)C)cc2)cc1 ZINC000022275812 555913075 /nfs/dbraw/zinc/91/30/75/555913075.db2.gz MVWKUXNPWWSNNQ-UHFFFAOYSA-N 0 0 490.547 5.971 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccc(Cl)cc2)cc1 ZINC000022276107 555913328 /nfs/dbraw/zinc/91/33/28/555913328.db2.gz YEJISNOOVNUVLW-UHFFFAOYSA-N 0 0 456.995 5.606 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cccc(Br)c2)cc1 ZINC000022276279 555913426 /nfs/dbraw/zinc/91/34/26/555913426.db2.gz UMXICOBYGMMSRP-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2ccc(Cl)cc2)cc1 ZINC000022276130 555913439 /nfs/dbraw/zinc/91/34/39/555913439.db2.gz IKYKDNNTABHALC-UHFFFAOYSA-N 0 0 464.974 5.636 40 0 JKABRN CCOc1ccccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276602 555914081 /nfs/dbraw/zinc/91/40/81/555914081.db2.gz PDHHHZGLQWGFRQ-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276816 555914355 /nfs/dbraw/zinc/91/43/55/555914355.db2.gz RXUDPMUNAWXWGN-UHFFFAOYSA-N 0 0 476.520 5.465 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276802 555914360 /nfs/dbraw/zinc/91/43/60/555914360.db2.gz HSTVYWIILVONHT-UHFFFAOYSA-N 0 0 462.493 5.156 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022276998 555914609 /nfs/dbraw/zinc/91/46/09/555914609.db2.gz LCODKLFPVZPOHQ-UHFFFAOYSA-N 0 0 477.413 5.156 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277072 555914638 /nfs/dbraw/zinc/91/46/38/555914638.db2.gz JXOTYZAWHAEUCR-UHFFFAOYSA-N 0 0 499.419 6.289 40 0 JKABRN COc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022277081 555914642 /nfs/dbraw/zinc/91/46/42/555914642.db2.gz SFKXEFDUAZPPQE-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277064 555914648 /nfs/dbraw/zinc/91/46/48/555914648.db2.gz DADTUTQXWNTLJT-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN CCc1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000022277249 555914870 /nfs/dbraw/zinc/91/48/70/555914870.db2.gz JBUOKQAOINNOFK-UHFFFAOYSA-N 0 0 472.994 5.053 40 0 JKABRN COc1ccc(C)cc1N(CC(=O)Nc1cccc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000022277366 555914915 /nfs/dbraw/zinc/91/49/15/555914915.db2.gz UMWIQENETFKIGO-UHFFFAOYSA-N 0 0 474.582 5.299 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccc(Cl)cc2C)cc1 ZINC000022277490 555915101 /nfs/dbraw/zinc/91/51/01/555915101.db2.gz GJZJEPHCVUAGOG-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2ccc(Cl)cc2C)cc1 ZINC000022277505 555915152 /nfs/dbraw/zinc/91/51/52/555915152.db2.gz UEJICPGOGMRDBS-UHFFFAOYSA-N 0 0 479.001 5.944 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccc(Cl)cc2C)cc1 ZINC000022277480 555915191 /nfs/dbraw/zinc/91/51/91/555915191.db2.gz AFRNSJPAGLKGMR-UHFFFAOYSA-N 0 0 471.022 5.914 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccc(Cl)cc2C)cc1 ZINC000022277510 555915209 /nfs/dbraw/zinc/91/52/09/555915209.db2.gz UHBSPNDICVFVIA-UHFFFAOYSA-N 0 0 479.001 5.944 40 0 JKABRN CCOc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022277828 555915444 /nfs/dbraw/zinc/91/54/44/555915444.db2.gz UWFJZSNZRVJCRY-UHFFFAOYSA-N 0 0 472.994 5.190 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cc(Cl)ccc2C)cc1 ZINC000022277647 555915488 /nfs/dbraw/zinc/91/54/88/555915488.db2.gz ANUIJIOQONUJRZ-UHFFFAOYSA-N 0 0 479.001 5.944 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(C)c(Cl)c2)cc1 ZINC000022277962 555915723 /nfs/dbraw/zinc/91/57/23/555915723.db2.gz CUJUUSDOSJCGTJ-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C)c(Cl)c2)cc1 ZINC000022278054 555915734 /nfs/dbraw/zinc/91/57/34/555915734.db2.gz PAXGPDWXJCWKMF-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2cccc(Cl)c2C)cc1 ZINC000022277851 555915743 /nfs/dbraw/zinc/91/57/43/555915743.db2.gz HCQWYYOHPJEIQJ-UHFFFAOYSA-N 0 0 496.938 5.810 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccc(C)c(Cl)c2)cc1 ZINC000022277966 555915749 /nfs/dbraw/zinc/91/57/49/555915749.db2.gz OJHZAVJDUPZNOS-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022278095 555915959 /nfs/dbraw/zinc/91/59/59/555915959.db2.gz MHWGKMTVCQGYGA-UHFFFAOYSA-N 0 0 472.994 5.108 40 0 JKABRN COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022278099 555916015 /nfs/dbraw/zinc/91/60/15/555916015.db2.gz UMZHMQIHNPOUGB-UHFFFAOYSA-N 0 0 487.021 5.614 40 0 JKABRN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccc(C)cc2)cc1 ZINC000022278619 555916519 /nfs/dbraw/zinc/91/65/19/555916519.db2.gz SSYAOFGNHKMXQF-UHFFFAOYSA-N 0 0 468.644 5.674 40 0 JKABRN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccc(C)cc2)cc1 ZINC000022278614 555916522 /nfs/dbraw/zinc/91/65/22/555916522.db2.gz PMIHKIUNPBIELF-UHFFFAOYSA-N 0 0 454.617 5.168 40 0 JKABRN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C)cc2)cc1 ZINC000022278628 555916551 /nfs/dbraw/zinc/91/65/51/555916551.db2.gz ADOKYSABSZVGLN-UHFFFAOYSA-N 0 0 494.560 5.570 40 0 JKABRN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000022278699 555916572 /nfs/dbraw/zinc/91/65/72/555916572.db2.gz XDHRTVROLHKYHC-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN Cc1ccc(C)c(N(CC(=O)Nc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022279081 555916712 /nfs/dbraw/zinc/91/67/12/555916712.db2.gz IHMBIAHDHQQSHU-UHFFFAOYSA-N 0 0 470.594 5.804 40 0 JKABRN CC(C)c1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000022303396 555919114 /nfs/dbraw/zinc/91/91/14/555919114.db2.gz ZKAWIJUXWWDUBW-AREMUKBSSA-N 0 0 462.615 5.199 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022312121 555920382 /nfs/dbraw/zinc/92/03/82/555920382.db2.gz VHUJZXFAKCOOGU-XMMPIXPASA-N 0 0 469.006 5.038 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022318797 555920970 /nfs/dbraw/zinc/92/09/70/555920970.db2.gz UBILZJFFZVTOLZ-AREMUKBSSA-N 0 0 480.630 5.083 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(C)cc2C)cc1 ZINC000022317469 555921049 /nfs/dbraw/zinc/92/10/49/555921049.db2.gz FHZRLTITJNWIKD-QHCPKHFHSA-N 0 0 464.631 5.301 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022319222 555921057 /nfs/dbraw/zinc/92/10/57/555921057.db2.gz POJIDRIYYKSLSF-QFIPXVFZSA-N 0 0 464.631 5.247 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(Cl)cc2)cc1 ZINC000022320897 555921381 /nfs/dbraw/zinc/92/13/81/555921381.db2.gz IMDYZBOVNPPDTR-XMMPIXPASA-N 0 0 469.006 5.038 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2cccc(Cl)c2)cc1 ZINC000022320492 555921394 /nfs/dbraw/zinc/92/13/94/555921394.db2.gz KAYDKSZIRWZJLU-HXUWFJFHSA-N 0 0 471.022 5.338 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(C)c(Cl)c2)cc1 ZINC000022326006 555921943 /nfs/dbraw/zinc/92/19/43/555921943.db2.gz GIVFDJFYSNLBJU-RUZDIDTESA-N 0 0 483.033 5.346 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccc(C)c(Cl)c2)cc1 ZINC000022326026 555922056 /nfs/dbraw/zinc/92/20/56/555922056.db2.gz LIUNQFBFXBKJFA-OAQYLSRUSA-N 0 0 485.049 5.646 40 0 JKABRN COC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)ccc1Cl ZINC000015659608 555922695 /nfs/dbraw/zinc/92/26/95/555922695.db2.gz AEFJZCWEAUHHPH-BKJLSBSTSA-N 0 0 495.962 5.550 40 0 JKABRN CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c1 ZINC000015659581 555922707 /nfs/dbraw/zinc/92/27/07/555922707.db2.gz LRTZCLWIYGGFAP-DMTYEBIYSA-N 0 0 475.544 5.287 40 0 JKABRN CSc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccc(C)cc2)cc1 ZINC000022345291 555923544 /nfs/dbraw/zinc/92/35/44/555923544.db2.gz CEBDIVZYSXVEQD-OAQYLSRUSA-N 0 0 482.671 5.406 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2cccc(C)c2C)cc1 ZINC000022347607 555923855 /nfs/dbraw/zinc/92/38/55/555923855.db2.gz ZFILCGOWIXRMMM-QHCPKHFHSA-N 0 0 464.631 5.301 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000022363108 555925997 /nfs/dbraw/zinc/92/59/97/555925997.db2.gz SLPKZRAGIOMPBB-RUZDIDTESA-N 0 0 483.033 5.346 40 0 JKABRN Cc1cccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022371433 555926574 /nfs/dbraw/zinc/92/65/74/555926574.db2.gz MBGVNYVSTNQBSL-DEOSSOPVSA-N 0 0 469.006 5.038 40 0 JKABRN O=C(CCCCCCCCCCCCCCCCCCCCCCCCCO)OC[C@H](O)CO ZINC000012153438 555927287 /nfs/dbraw/zinc/92/72/87/555927287.db2.gz APLJPCNYUIMBNB-MUUNZHRXSA-N 0 0 486.778 7.238 40 0 biogenic JKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSCc3ccccc3Cl)c2)cc1 ZINC000022522971 555930829 /nfs/dbraw/zinc/93/08/29/555930829.db2.gz KXAXFXGGLIXUTN-UHFFFAOYSA-N 0 0 452.019 6.740 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000022522977 555930975 /nfs/dbraw/zinc/93/09/75/555930975.db2.gz DYBLFRIEXILZMN-RUZDIDTESA-N 0 0 466.603 5.322 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000022530272 555931454 /nfs/dbraw/zinc/93/14/54/555931454.db2.gz ZQRKPGQTQZMHKH-IBGZPJMESA-N 0 0 450.538 7.179 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1 ZINC000022530283 555931534 /nfs/dbraw/zinc/93/15/34/555931534.db2.gz OJQGTJQSPNHPPM-IBGZPJMESA-N 0 0 450.538 7.179 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1 ZINC000022531238 555931859 /nfs/dbraw/zinc/93/18/59/555931859.db2.gz LWRMIRUVQNIWNP-MRXNPFEDSA-N 0 0 450.991 7.148 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc(Br)c1 ZINC000022531471 555932091 /nfs/dbraw/zinc/93/20/91/555932091.db2.gz MDADXVYQGZCXRN-UHFFFAOYSA-N 0 0 451.320 6.135 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000022531289 555932095 /nfs/dbraw/zinc/93/20/95/555932095.db2.gz DCJBXQMJDYBKKD-MRXNPFEDSA-N 0 0 450.991 7.148 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 ZINC000022532363 555932160 /nfs/dbraw/zinc/93/21/60/555932160.db2.gz CNEWLRHSQHLUFG-UHFFFAOYSA-N 0 0 451.551 6.392 40 0 JKABRN Cc1cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc(-c2nc3ccccc3o2)c1O ZINC000022532704 555932381 /nfs/dbraw/zinc/93/23/81/555932381.db2.gz NCQNAFXTBLDYKM-UHFFFAOYSA-N 0 0 451.935 5.218 40 0 JKABRN Cc1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C ZINC000022532487 555932418 /nfs/dbraw/zinc/93/24/18/555932418.db2.gz SZYKGQMTJZYOOS-UHFFFAOYSA-N 0 0 451.586 5.686 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c(C)cc1I ZINC000022532970 555932745 /nfs/dbraw/zinc/93/27/45/555932745.db2.gz RYTRTFDOXYFBAF-UHFFFAOYSA-N 0 0 452.361 5.158 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccc2ccccc2c1 ZINC000022533586 555932747 /nfs/dbraw/zinc/93/27/47/555932747.db2.gz WVSZFBAUBKSBQG-UHFFFAOYSA-N 0 0 452.510 6.291 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)c1 ZINC000022532867 555932774 /nfs/dbraw/zinc/93/27/74/555932774.db2.gz ROMDLEUCHSYJTC-UHFFFAOYSA-N 0 0 452.004 6.360 40 0 JKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000022532847 555932784 /nfs/dbraw/zinc/93/27/84/555932784.db2.gz VJXNTQFYSZPUTK-UHFFFAOYSA-N 0 0 452.004 6.306 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2c(C)cc(C)cc2Cl)cc1 ZINC000022534673 555932932 /nfs/dbraw/zinc/93/29/32/555932932.db2.gz YLQPANRPHJEZOK-UHFFFAOYSA-N 0 0 452.938 5.141 40 0 JKABRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)ccc1NC(=O)C(C)C ZINC000022534681 555932945 /nfs/dbraw/zinc/93/29/45/555932945.db2.gz DVILBXDGAAYPIR-FMIVXFBMSA-N 0 0 452.938 6.163 40 0 JKABRN CCCCc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000022534908 555933012 /nfs/dbraw/zinc/93/30/12/555933012.db2.gz DFSYSALOIDACLS-FYWRMAATSA-N 0 0 453.007 6.777 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nc4ccccc4s3)o2)cc1Cl ZINC000022535883 555933342 /nfs/dbraw/zinc/93/33/42/555933342.db2.gz BZCPSJXQFVPGML-PKNBQFBNSA-N 0 0 453.976 6.045 40 0 JKABRN Cc1ccc(-c2ccc(C=CC(=O)NC(=S)NC34CC5CC(CC(C5)C3)C4)o2)cc1Cl ZINC000022537250 555933896 /nfs/dbraw/zinc/93/38/96/555933896.db2.gz FRUCKDNELUYYRJ-FNORWQNLSA-N 0 0 455.023 5.881 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Cl)c3N3CCCCC3)o2)cc1Cl ZINC000022537364 555934149 /nfs/dbraw/zinc/93/41/49/555934149.db2.gz GTEVBVIMSKRULM-ACCUITESSA-N 0 0 455.385 7.204 40 0 JKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1sc2ccccc2c1Cl ZINC000022537371 555934185 /nfs/dbraw/zinc/93/41/85/555934185.db2.gz RPRYIDJPRPJGSK-UHFFFAOYSA-N 0 0 455.391 7.737 40 0 JKABRN COc1ccc(Br)cc1C(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000022562357 555934593 /nfs/dbraw/zinc/93/45/93/555934593.db2.gz YUTKHACNWISAKJ-UHFFFAOYSA-N 0 0 456.119 6.382 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3)nc2c1 ZINC000022563155 555934658 /nfs/dbraw/zinc/93/46/58/555934658.db2.gz ZLXSDLUXHDDNMM-HXUWFJFHSA-N 0 0 456.586 7.458 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(Cl)ccc3N3CCOCC3)o2)cc1Cl ZINC000022563883 555934764 /nfs/dbraw/zinc/93/47/64/555934764.db2.gz NLVQIBPDZROFPD-RMKNXTFCSA-N 0 0 457.357 6.050 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 ZINC000022563269 555934930 /nfs/dbraw/zinc/93/49/30/555934930.db2.gz PVTQSCSNMJSOPQ-LJQANCHMSA-N 0 0 456.590 6.383 40 0 JKABRN Cc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCC(C)CC3)n2)cc1Cl ZINC000022564039 555935363 /nfs/dbraw/zinc/93/53/63/555935363.db2.gz DRTVZJGBLBNFFX-UHFFFAOYSA-N 0 0 457.409 6.519 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3)nc2c1 ZINC000022564586 555935523 /nfs/dbraw/zinc/93/55/23/555935523.db2.gz VBXOPIPKJYHUKU-SFHVURJKSA-N 0 0 457.599 6.752 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000022566373 555936162 /nfs/dbraw/zinc/93/61/62/555936162.db2.gz MQLDYDLBBSWTMC-UHFFFAOYSA-N 0 0 459.329 5.421 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000022569276 555937138 /nfs/dbraw/zinc/93/71/38/555937138.db2.gz AJAHDIXHWCALQU-UHFFFAOYSA-N 0 0 461.587 5.103 40 0 JKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc([C@H](C)CC)cc4)c3)nc2c1 ZINC000022571634 555937378 /nfs/dbraw/zinc/93/73/78/555937378.db2.gz ZXZXSYNWPIOPJO-QGZVFWFLSA-N 0 0 462.977 7.242 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2Cl)cc1 ZINC000022571624 555937417 /nfs/dbraw/zinc/93/74/17/555937417.db2.gz YZLPQNHSEVQTFP-QGZVFWFLSA-N 0 0 462.977 7.296 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000022571586 555937443 /nfs/dbraw/zinc/93/74/43/555937443.db2.gz SPIMRETWRBONKF-UHFFFAOYSA-N 0 0 462.958 7.241 40 0 JKABRN CCOc1ccc(Nc2nc(Nc3ccc(OCC)cc3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000022570959 555937467 /nfs/dbraw/zinc/93/74/67/555937467.db2.gz GCXGTOYUJLQVKC-RTBURBONSA-N 0 0 462.598 5.639 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000022571659 555937770 /nfs/dbraw/zinc/93/77/70/555937770.db2.gz TWNIAMSJUJCRKI-KRWDZBQOSA-N 0 0 462.977 7.296 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3)nc2c1 ZINC000022571666 555937787 /nfs/dbraw/zinc/93/77/87/555937787.db2.gz GENFSDTZSIWGEX-MRXNPFEDSA-N 0 0 462.977 7.296 40 0 JKABRN COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl ZINC000022572853 555938073 /nfs/dbraw/zinc/93/80/73/555938073.db2.gz UWXSWMNIKLTKIF-UHFFFAOYSA-N 0 0 463.773 7.184 40 0 JKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000022572999 555938116 /nfs/dbraw/zinc/93/81/16/555938116.db2.gz MIZXOROWKMTLFA-UHFFFAOYSA-N 0 0 463.990 6.454 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)cc1 ZINC000022574759 555938365 /nfs/dbraw/zinc/93/83/65/555938365.db2.gz ARHBGEZBAKEBHV-INIZCTEOSA-N 0 0 464.953 5.614 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1 ZINC000022578890 555939277 /nfs/dbraw/zinc/93/92/77/555939277.db2.gz VKVWFSXDHLXMBP-UHFFFAOYSA-N 0 0 467.403 5.469 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000022579951 555939626 /nfs/dbraw/zinc/93/96/26/555939626.db2.gz NQJJLAFBAKRTGU-UHFFFAOYSA-N 0 0 468.003 6.142 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000022579986 555939647 /nfs/dbraw/zinc/93/96/47/555939647.db2.gz QVIPTAQECIYRNL-UHFFFAOYSA-N 0 0 468.003 6.142 40 0 JKABRN Cc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 ZINC000022579915 555939687 /nfs/dbraw/zinc/93/96/87/555939687.db2.gz JMEALCVREKSTGU-JXMROGBWSA-N 0 0 468.003 6.353 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022579945 555939731 /nfs/dbraw/zinc/93/97/31/555939731.db2.gz YYCVMBUOUDJJQB-UHFFFAOYSA-N 0 0 468.003 6.061 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022579974 555939737 /nfs/dbraw/zinc/93/97/37/555939737.db2.gz XGVPOTQUEVSRKL-UHFFFAOYSA-N 0 0 468.003 6.061 40 0 JKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N[C@H](C)c4cc(C)c(C)cc4C)cc3C[C@H]2C)cc1 ZINC000022606139 555939948 /nfs/dbraw/zinc/93/99/48/555939948.db2.gz HCVZGCZQKARIQY-FGZHOGPDSA-N 0 0 476.642 5.551 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000022704029 555942638 /nfs/dbraw/zinc/94/26/38/555942638.db2.gz ZUSWPZODQRLKIK-UHFFFAOYSA-N 0 0 468.388 6.134 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000022705268 555942805 /nfs/dbraw/zinc/94/28/05/555942805.db2.gz OQCMEXFORWCZQD-OAHLLOKOSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000022705314 555942824 /nfs/dbraw/zinc/94/28/24/555942824.db2.gz BLYXMXMVLYDPQJ-HNNXBMFYSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 ZINC000022705322 555942829 /nfs/dbraw/zinc/94/28/29/555942829.db2.gz WQNDZGCDHCTGKW-HNNXBMFYSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000022705306 555942837 /nfs/dbraw/zinc/94/28/37/555942837.db2.gz SWXLNMRRCMTYEH-HNNXBMFYSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)cc1 ZINC000022705280 555942845 /nfs/dbraw/zinc/94/28/45/555942845.db2.gz YGZCTCZKZIJBQR-HNNXBMFYSA-N 0 0 469.368 7.333 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cccc3ccccc32)cc1 ZINC000022705646 555943152 /nfs/dbraw/zinc/94/31/52/555943152.db2.gz IPMDNFYRYSGAEO-UHFFFAOYSA-N 0 0 469.566 5.133 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)C(Cl)(Cl)Cl)cc1 ZINC000022705696 555943188 /nfs/dbraw/zinc/94/31/88/555943188.db2.gz OVOFMCWUNGNHFV-UHFFFAOYSA-N 0 0 469.579 6.074 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc(-c2nc3ccccc3s2)c1O ZINC000022705846 555943239 /nfs/dbraw/zinc/94/32/39/555943239.db2.gz HUOBMNBYIBLFGH-UHFFFAOYSA-N 0 0 469.591 6.257 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc3ccccc3c2)cc1 ZINC000022705619 555943252 /nfs/dbraw/zinc/94/32/52/555943252.db2.gz DOJTXUPIQHMGGL-UHFFFAOYSA-N 0 0 469.566 5.133 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 ZINC000022706304 555943397 /nfs/dbraw/zinc/94/33/97/555943397.db2.gz FDDZOWUJPOHKIL-UHFFFAOYSA-N 0 0 470.381 6.545 40 0 JKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(C)c1 ZINC000022706355 555943457 /nfs/dbraw/zinc/94/34/57/555943457.db2.gz IJSLXWBHORIZHS-UHFFFAOYSA-N 0 0 470.436 5.884 40 0 JKABRN COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H](N(C(=O)C(C)C)c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000022706858 555943751 /nfs/dbraw/zinc/94/37/51/555943751.db2.gz VWMRIZYATRDLOA-DWACAAAGSA-N 0 0 470.613 6.481 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000022707413 555943943 /nfs/dbraw/zinc/94/39/43/555943943.db2.gz KQFNFDAGRCZKOE-INIZCTEOSA-N 0 0 471.384 6.777 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(OCC)cc2)cc1 ZINC000022708019 555944468 /nfs/dbraw/zinc/94/44/68/555944468.db2.gz VWACAJOXPCJTBP-UHFFFAOYSA-N 0 0 472.368 6.416 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c(Cl)c1 ZINC000022708095 555944799 /nfs/dbraw/zinc/94/47/99/555944799.db2.gz UOVIXVBYAHEKDD-UHFFFAOYSA-N 0 0 472.422 6.705 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1Cl ZINC000022708090 555944808 /nfs/dbraw/zinc/94/48/08/555944808.db2.gz TVMOKLMWZORYCX-UHFFFAOYSA-N 0 0 472.422 6.705 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(-c5cccc(F)c5)nc4c3)o2)cc1Cl ZINC000022708697 555945133 /nfs/dbraw/zinc/94/51/33/555945133.db2.gz NDSOFCMSPGTVGA-FMIVXFBMSA-N 0 0 472.903 7.508 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cc(Br)ccc2Cl)cc1 ZINC000022709851 555945324 /nfs/dbraw/zinc/94/53/24/555945324.db2.gz NLANDGDCDFUIFZ-UHFFFAOYSA-N 0 0 473.754 5.521 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4cccc(C)c4)cc3)nc2c1 ZINC000022709665 555945367 /nfs/dbraw/zinc/94/53/67/555945367.db2.gz IZKRRBRAODSSJE-SFHVURJKSA-N 0 0 473.598 6.209 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cccc(Br)c1 ZINC000022710137 555945675 /nfs/dbraw/zinc/94/56/75/555945675.db2.gz MLLYOAYSVDADQW-HSZRJFAPSA-N 0 0 474.358 5.788 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3cc(Br)ccc3OC)cc2s1 ZINC000022710181 555945729 /nfs/dbraw/zinc/94/57/29/555945729.db2.gz SJDSUXLQGQVYCN-BJMVGYQFSA-N 0 0 474.380 5.458 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Br)cc3)o2)cc1Cl ZINC000022712093 555946025 /nfs/dbraw/zinc/94/60/25/555946025.db2.gz NYMXLHGQCLFZPE-PKNBQFBNSA-N 0 0 475.795 6.197 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022712292 555946335 /nfs/dbraw/zinc/94/63/35/555946335.db2.gz ZFULTKKJNXZKNX-UHFFFAOYSA-N 0 0 476.354 6.211 40 0 JKABRN Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000022712135 555946341 /nfs/dbraw/zinc/94/63/41/555946341.db2.gz WQWDAYUCXXTLCX-UHFFFAOYSA-N 0 0 475.967 5.861 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(OCC)c(Cl)c3)cc2s1 ZINC000022713345 555946630 /nfs/dbraw/zinc/94/66/30/555946630.db2.gz WIHRSZGWXZRUQU-UHFFFAOYSA-N 0 0 477.011 5.214 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Br)cc4)cc3n2)cc1 ZINC000022714283 555947161 /nfs/dbraw/zinc/94/71/61/555947161.db2.gz RYPANYONRZHIFQ-UHFFFAOYSA-N 0 0 478.394 5.590 40 0 JKABRN CCOc1cc([C@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)ccc1O ZINC000022715482 555947195 /nfs/dbraw/zinc/94/71/95/555947195.db2.gz GIGZKZMPALCMKD-JOCHJYFZSA-N 0 0 478.957 5.531 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 ZINC000022715760 555947441 /nfs/dbraw/zinc/94/74/41/555947441.db2.gz SXODBJPFROQHCE-MRXNPFEDSA-N 0 0 479.374 6.788 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2s1 ZINC000022716682 555947719 /nfs/dbraw/zinc/94/77/19/555947719.db2.gz DONGHAJPXFAQKG-FMIVXFBMSA-N 0 0 479.989 6.909 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 ZINC000022716760 555947754 /nfs/dbraw/zinc/94/77/54/555947754.db2.gz SIVHQWFPQYJKDY-UHFFFAOYSA-N 0 0 480.037 5.959 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc(Br)ccc1OC 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BOLNYWHQILGYIF-UHFFFAOYSA-N 0 0 484.423 7.315 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)c1 ZINC000022741527 555949533 /nfs/dbraw/zinc/94/95/33/555949533.db2.gz BDRDMYIDECSNCT-UHFFFAOYSA-N 0 0 484.408 6.854 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000022742446 555949819 /nfs/dbraw/zinc/94/98/19/555949819.db2.gz FNHJFJMDVRCJFW-GOSISDBHSA-N 0 0 484.983 7.832 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2cc(C)cc(C)c2)cc1 ZINC000022743699 555950165 /nfs/dbraw/zinc/95/01/65/555950165.db2.gz NWOSEWGCYOLVBL-UHFFFAOYSA-N 0 0 486.395 6.399 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc(CC)cc2)cc1 ZINC000022743657 555950182 /nfs/dbraw/zinc/95/01/82/555950182.db2.gz LKKVAPALTLRBHA-UHFFFAOYSA-N 0 0 486.395 6.345 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccc(C)c(C)c2)cc1 ZINC000022743691 555950187 /nfs/dbraw/zinc/95/01/87/555950187.db2.gz CJARVPHFGDBRSE-UHFFFAOYSA-N 0 0 486.395 6.399 40 0 JKABRN CCOC(=O)[C@@H]1CCCN(c2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)n2)C1 ZINC000022745070 555950473 /nfs/dbraw/zinc/95/04/73/555950473.db2.gz TWWLQNVGTFAKCO-OAHLLOKOSA-N 0 0 487.391 5.445 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc(C)cc4C)cc3)nc2c1 ZINC000022745670 555950783 /nfs/dbraw/zinc/95/07/83/555950783.db2.gz HRCQMPSXBGRNLQ-SFHVURJKSA-N 0 0 487.625 6.517 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1Br ZINC000022745856 555950845 /nfs/dbraw/zinc/95/08/45/555950845.db2.gz VPKKBRBVGQHFEN-UHFFFAOYSA-N 0 0 487.806 7.030 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000022746122 555951034 /nfs/dbraw/zinc/95/10/34/555951034.db2.gz KZNCOGZNWGDJPI-UHFFFAOYSA-N 0 0 488.396 5.287 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)o2)cc1Cl ZINC000022746093 555951063 /nfs/dbraw/zinc/95/10/63/555951063.db2.gz JERLGRFCUQZXPJ-JLHYYAGUSA-N 0 0 488.374 7.757 40 0 JKABRN Cc1cc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)ccc1Br ZINC000022746160 555951111 /nfs/dbraw/zinc/95/11/11/555951111.db2.gz MEXLNZPKUMWNGP-UHFFFAOYSA-N 0 0 488.407 5.329 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000012319007 555951188 /nfs/dbraw/zinc/95/11/88/555951188.db2.gz XJLCXBJPJKIGQO-PXARDIRTSA-N 0 0 474.384 6.412 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1Br ZINC000022751553 555952687 /nfs/dbraw/zinc/95/26/87/555952687.db2.gz SIRRPTRTPAXUMZ-MRXNPFEDSA-N 0 0 493.401 7.422 40 0 JKABRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)ccc1NC(=O)c1cccs1 ZINC000022751323 555952701 /nfs/dbraw/zinc/95/27/01/555952701.db2.gz PRSDETVXWWLLJD-FMIVXFBMSA-N 0 0 492.984 6.883 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=S)NC(=O)c2cccs2)cc1 ZINC000022751647 555952703 /nfs/dbraw/zinc/95/27/03/555952703.db2.gz BBIGMNJNVXEWEW-UHFFFAOYSA-N 0 0 493.437 5.953 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=S)NC(=O)c2cccs2)cc1 ZINC000022751651 555952718 /nfs/dbraw/zinc/95/27/18/555952718.db2.gz XSSOPJVTCMSMJO-UHFFFAOYSA-N 0 0 493.437 5.953 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000022751160 555952722 /nfs/dbraw/zinc/95/27/22/555952722.db2.gz WASBETANWRXTKJ-UHFFFAOYSA-N 0 0 492.840 7.050 40 0 JKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc2c(Br)cccc12 ZINC000022752584 555953044 /nfs/dbraw/zinc/95/30/44/555953044.db2.gz JUAXNPHSBDKUEW-UHFFFAOYSA-N 0 0 493.813 7.785 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 ZINC000022752795 555953097 /nfs/dbraw/zinc/95/30/97/555953097.db2.gz VYSWBLGGIFQBMK-INIZCTEOSA-N 0 0 494.016 6.554 40 0 JKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022755735 555953667 /nfs/dbraw/zinc/95/36/67/555953667.db2.gz CSXAMWHCVPCZOF-UHFFFAOYSA-N 0 0 496.032 6.025 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000022755310 555953670 /nfs/dbraw/zinc/95/36/70/555953670.db2.gz VMHFENJMYLJPNB-UHFFFAOYSA-N 0 0 495.608 5.798 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1Cl ZINC000022755686 555953718 /nfs/dbraw/zinc/95/37/18/555953718.db2.gz STOACXGONAYDFN-UHFFFAOYSA-N 0 0 495.988 5.909 40 0 JKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4c(OC)cccc4OC)ccc3Cl)nc2c1 ZINC000022755691 555953731 /nfs/dbraw/zinc/95/37/31/555953731.db2.gz BUPABZZYMTVOCF-UHFFFAOYSA-N 0 0 495.988 5.855 40 0 JKABRN COc1ccc(C(=O)N2c3ccc(C)cc3[C@H](N(C(=O)C(F)(F)F)c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000022756065 555954093 /nfs/dbraw/zinc/95/40/93/555954093.db2.gz UQQRIRADBSPUQZ-UQBPGWFLSA-N 0 0 496.529 6.388 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(I)cc4)c3)nc2c1 ZINC000022755896 555954099 /nfs/dbraw/zinc/95/40/99/555954099.db2.gz VDAHQOCCLMOSIU-HNNXBMFYSA-N 0 0 496.348 6.865 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(I)c4)cc3)nc2c1 ZINC000022755873 555954117 /nfs/dbraw/zinc/95/41/17/555954117.db2.gz VWUDBHLTXIPVSG-OAHLLOKOSA-N 0 0 496.348 6.865 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4nc5cc(C(C)C)ccc5o4)cc3)o2)cc1Cl ZINC000022757338 555954411 /nfs/dbraw/zinc/95/44/11/555954411.db2.gz FWUFSPJRHWRENL-NTCAYCPXSA-N 0 0 496.994 8.492 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022757767 555954747 /nfs/dbraw/zinc/95/47/47/555954747.db2.gz JHIYADBZCMQLDL-JLHYYAGUSA-N 0 0 497.422 7.204 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(C(F)(F)F)cc3Cl)o2)cc1Cl ZINC000022820018 555954971 /nfs/dbraw/zinc/95/49/71/555954971.db2.gz HFWNBOBVNWHQLM-RMKNXTFCSA-N 0 0 499.341 7.107 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2s1 ZINC000022819828 555954995 /nfs/dbraw/zinc/95/49/95/555954995.db2.gz RLCUBDUXOWMOGO-UHFFFAOYSA-N 0 0 499.017 6.075 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2s1 ZINC000022819835 555955024 /nfs/dbraw/zinc/95/50/24/555955024.db2.gz YTZSULBROYVGNI-UHFFFAOYSA-N 0 0 499.017 6.075 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022821235 555955386 /nfs/dbraw/zinc/95/53/86/555955386.db2.gz MYIUJQVPTFZTMX-IZZDOVSWSA-N 0 0 499.817 7.040 40 0 JKABRN O=C(N(CCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000012360110 555956847 /nfs/dbraw/zinc/95/68/47/555956847.db2.gz TYBYSCUCDUUKQI-UHFFFAOYSA-N 0 0 476.020 5.364 40 0 JKABRN CC(=O)Oc1cc(OC(C)=O)c([C@@]2(C)CC(C)(C)c3cc(Cl)c(OC(C)=O)cc3O2)cc1Cl ZINC000012364596 555959641 /nfs/dbraw/zinc/95/96/41/555959641.db2.gz HRAAHYGSVFJUIQ-XMMPIXPASA-N 0 0 495.355 5.745 40 0 JKABRN CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@]2(O)c3ccccc3N(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000012364953 555959836 /nfs/dbraw/zinc/95/98/36/555959836.db2.gz ALJGYLQPMYBFCF-HUJREVKFSA-N 0 0 459.508 5.471 40 0 JKABRN O=C(N(Cc1cccs1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C12CC3CC(CC(C3)C1)C2 ZINC000012374984 555961867 /nfs/dbraw/zinc/96/18/67/555961867.db2.gz QNRMSOKIQMFCFK-UHFFFAOYSA-N 0 0 493.698 5.670 40 0 JKABRN O=C(NCc1ccccc1)c1ccc(NC(=O)C23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 ZINC000012376473 555964084 /nfs/dbraw/zinc/96/40/84/555964084.db2.gz UAFGQZAFSWDIJP-VINFYQEGSA-N 0 0 467.407 5.289 40 0 JKABRN C[C@@H](O)c1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)c1 ZINC000012383751 555971884 /nfs/dbraw/zinc/97/18/84/555971884.db2.gz VBVSMZMCPRYGGR-QHLBDZCJSA-N 0 0 464.875 5.502 40 0 JKABRN C[C@H](CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012401784 555975977 /nfs/dbraw/zinc/97/59/77/555975977.db2.gz YIXNZIYJWFRIIJ-HXUWFJFHSA-N 0 0 466.750 9.024 40 0 JKABRN CC(C)c1ccc2c(c1)[C@@]1(C)CCC[C@@](C)(CNC(=O)C(c3ccccc3)c3ccccc3)[C@@H]1CC2 ZINC000012401749 555976055 /nfs/dbraw/zinc/97/60/55/555976055.db2.gz GKJUQYVEHIVDGA-CHHQVBBHSA-N 0 0 479.708 7.769 40 0 JKABRN O=C(Nc1ccc(Oc2ccc(NC(=O)NC3CCCCC3)cc2)cc1)NC1CCCCC1 ZINC000012403381 555976413 /nfs/dbraw/zinc/97/64/13/555976413.db2.gz LWGDBQCDOSGAID-UHFFFAOYSA-N 0 0 450.583 6.387 40 0 JKABRN CCCCc1ccc2c(c1)OCCOCCOc1cc(CCCC)ccc1OCCOCCO2 ZINC000012410964 555976851 /nfs/dbraw/zinc/97/68/51/555976851.db2.gz GFFCZZZMPOCOQD-UHFFFAOYSA-N 0 0 472.622 5.634 40 0 JKABRN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@@H]2c1cccc(NC(=O)CCC2CCCCC2)c1 ZINC000012420191 555977869 /nfs/dbraw/zinc/97/78/69/555977869.db2.gz LLFCQXHGDPMUTB-FVBCXUTKSA-N 0 0 477.645 7.149 40 0 JKABRN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000012420644 555977900 /nfs/dbraw/zinc/97/79/00/555977900.db2.gz MMXRVDKVOINEFC-JDFRNFQTSA-N 0 0 468.553 5.381 40 0 biogenic,in-vitro JKABRN Cc1ccc(N2C(=O)[C@@H](C)S[C@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)cc1C ZINC000012462220 555981532 /nfs/dbraw/zinc/98/15/32/555981532.db2.gz SJAQXVUKVHSZLR-DWXRJYCRSA-N 0 0 463.002 5.825 40 0 JKABRN COc1cccc(C(=O)CSc2nc(-c3ccc(F)cc3)nc3sc4c(c32)CCCC4)c1 ZINC000012467913 555981544 /nfs/dbraw/zinc/98/15/44/555981544.db2.gz LFRBCOPVQUALRD-UHFFFAOYSA-N 0 0 464.587 6.360 40 0 JKABRN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@@H]2c1cccc(NC(=O)c2cccc(C)c2OC)c1 ZINC000012462961 555981566 /nfs/dbraw/zinc/98/15/66/555981566.db2.gz ZVCZEKJNLGZTLU-HKLKAILGSA-N 0 0 487.596 6.419 40 0 JKABRN COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)c3cccc(C)c3OC)c1)O[C@H]1CCCC[C@@H]21 ZINC000012462959 555981633 /nfs/dbraw/zinc/98/16/33/555981633.db2.gz ZVCZEKJNLGZTLU-XZFDQLJLSA-N 0 0 487.596 6.419 40 0 JKABRN Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000012469038 555981941 /nfs/dbraw/zinc/98/19/41/555981941.db2.gz PDLSTIRFRUIXBX-UHFFFAOYSA-N 0 0 463.002 6.427 40 0 JKABRN Cc1ccc(-c2csc3ncnc(SCC(=O)N(C)c4nc(-c5ccccc5)cs4)c23)cc1 ZINC000012469674 555981957 /nfs/dbraw/zinc/98/19/57/555981957.db2.gz SWKISDRKBBXQGT-UHFFFAOYSA-N 0 0 488.663 6.545 40 0 JKABRN O=C(c1ccc(Br)cc1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000012469280 555982008 /nfs/dbraw/zinc/98/20/08/555982008.db2.gz RZBLUNICMSXMBA-UHFFFAOYSA-N 0 0 467.363 6.559 40 0 JKABRN Cc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2O)c1C ZINC000012473847 555982274 /nfs/dbraw/zinc/98/22/74/555982274.db2.gz VCDOGKILVUBGCP-UHFFFAOYSA-N 0 0 464.978 5.641 40 0 JKABRN Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccccc2Cl)c(C)c1 ZINC000012474014 555982305 /nfs/dbraw/zinc/98/23/05/555982305.db2.gz WVLQHWZXWDIYOK-UHFFFAOYSA-N 0 0 496.011 6.020 40 0 JKABRN CCCCc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2cccnc2)cc1 ZINC000012474076 555982327 /nfs/dbraw/zinc/98/23/27/555982327.db2.gz CCLNMEQPSSJBSS-UHFFFAOYSA-N 0 0 478.021 6.056 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(Cc1cccnc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012474842 555982643 /nfs/dbraw/zinc/98/26/43/555982643.db2.gz AOAXWYHDVNJVJL-GDLZYMKVSA-N 0 0 480.612 5.324 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012475003 555982725 /nfs/dbraw/zinc/98/27/25/555982725.db2.gz VAEGCLNEBCYUNN-PMERELPUSA-N 0 0 497.614 6.069 40 0 JKABRN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1ncc(-c2ccc(F)cc2)n1CC(=O)N1CCCCC1 ZINC000012474699 555982732 /nfs/dbraw/zinc/98/27/32/555982732.db2.gz GYCHAILLNKALEK-FQEVSTJZSA-N 0 0 494.636 5.438 40 0 JKABRN Cc1ccccc1NC(=O)[C@H](C)Sc1ncc(-c2ccc(F)cc2)n1CC(=O)N1CCCCC1 ZINC000012474738 555982750 /nfs/dbraw/zinc/98/27/50/555982750.db2.gz YLJDQJZZMTTWNK-IBGZPJMESA-N 0 0 480.609 5.129 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cc1c[nH]c2ccccc12 ZINC000012475405 555982990 /nfs/dbraw/zinc/98/29/90/555982990.db2.gz OCCXZQFHOJGQEE-GDLZYMKVSA-N 0 0 483.612 5.831 40 0 JKABRN COc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000012475446 555982998 /nfs/dbraw/zinc/98/29/98/555982998.db2.gz OINCLSWDOQSDQK-GDLZYMKVSA-N 0 0 496.611 5.337 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000012475732 555983050 /nfs/dbraw/zinc/98/30/50/555983050.db2.gz YZDLJJCHRXTLLM-NDEPHWFRSA-N 0 0 485.653 5.991 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2c[nH]c3ccccc23)o1 ZINC000012475952 555983370 /nfs/dbraw/zinc/98/33/70/555983370.db2.gz QFRLGHYJDOBGLN-HHHXNRCGSA-N 0 0 489.641 5.892 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012475842 555983376 /nfs/dbraw/zinc/98/33/76/555983376.db2.gz MHISXNQVUDVGMD-GDLZYMKVSA-N 0 0 499.611 5.531 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000012476093 555983420 /nfs/dbraw/zinc/98/34/20/555983420.db2.gz BGFNPFOEWNSAGL-NDEPHWFRSA-N 0 0 488.653 6.025 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 ZINC000012476038 555983429 /nfs/dbraw/zinc/98/34/29/555983429.db2.gz UDELOYWUDUQYFG-MHZLTWQESA-N 0 0 494.632 5.657 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c1 ZINC000012476223 555983629 /nfs/dbraw/zinc/98/36/29/555983629.db2.gz IIFSKTVSLFSMGU-SANMLTNESA-N 0 0 462.615 5.523 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)c1 ZINC000012476298 555983632 /nfs/dbraw/zinc/98/36/32/555983632.db2.gz NJRVMKXGANUEBK-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)c1 ZINC000012476363 555983640 /nfs/dbraw/zinc/98/36/40/555983640.db2.gz RJWWKBDZMNWTNX-MHZLTWQESA-N 0 0 494.632 5.657 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000012476589 555983646 /nfs/dbraw/zinc/98/36/46/555983646.db2.gz IKUITQJLJMBYTJ-SANMLTNESA-N 0 0 496.698 5.970 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 ZINC000012476582 555983655 /nfs/dbraw/zinc/98/36/55/555983655.db2.gz QGPCLFLTYYKXPQ-SANMLTNESA-N 0 0 480.630 5.501 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1 ZINC000012476202 555983677 /nfs/dbraw/zinc/98/36/77/555983677.db2.gz RCAPMDAGRGWKSH-AREMUKBSSA-N 0 0 496.698 5.970 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c1 ZINC000012476397 555983695 /nfs/dbraw/zinc/98/36/95/555983695.db2.gz CYLIPJGPXOGZNZ-RUZDIDTESA-N 0 0 466.603 5.111 40 0 JKABRN Cc1cccc(CCN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)c1 ZINC000012476888 555983979 /nfs/dbraw/zinc/98/39/79/555983979.db2.gz STKVYVBXWKFMMY-SANMLTNESA-N 0 0 464.631 5.454 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012476830 555983992 /nfs/dbraw/zinc/98/39/92/555983992.db2.gz YNTRMBVDMWPIPW-RUZDIDTESA-N 0 0 466.603 5.111 40 0 JKABRN COc1ccc(C(=O)N(Cc2cccs2)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1OC ZINC000012476959 555984010 /nfs/dbraw/zinc/98/40/10/555984010.db2.gz YFUIBZIPCDYYPT-XMMPIXPASA-N 0 0 480.630 5.372 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000012478327 555984588 /nfs/dbraw/zinc/98/45/88/555984588.db2.gz JMFSCEIRDLKLPR-AREMUKBSSA-N 0 0 458.558 5.628 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2sccc2C)cc1 ZINC000012478112 555984603 /nfs/dbraw/zinc/98/46/03/555984603.db2.gz FXNOBIOIGAXWLH-RUZDIDTESA-N 0 0 496.698 5.888 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2sccc2C)cc1 ZINC000012478009 555984607 /nfs/dbraw/zinc/98/46/07/555984607.db2.gz MWOMKAVJWNACCE-XMMPIXPASA-N 0 0 482.671 5.893 40 0 JKABRN CC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000012478368 555984612 /nfs/dbraw/zinc/98/46/12/555984612.db2.gz GYIWDELKOHQSGA-SANMLTNESA-N 0 0 458.558 5.628 40 0 JKABRN Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccs1 ZINC000012477959 555984629 /nfs/dbraw/zinc/98/46/29/555984629.db2.gz RICUGURXNFMROZ-VWLOTQADSA-N 0 0 499.080 5.205 40 0 JKABRN Cc1ccsc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccccc1F ZINC000012478049 555984632 /nfs/dbraw/zinc/98/46/32/555984632.db2.gz XJUSJIPTYUPVRF-HSZRJFAPSA-N 0 0 470.635 6.023 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccco2)cc1 ZINC000012478661 555984860 /nfs/dbraw/zinc/98/48/60/555984860.db2.gz ZULVZYKGOQCSNW-SANMLTNESA-N 0 0 460.574 5.163 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1 ZINC000012478668 555984864 /nfs/dbraw/zinc/98/48/64/555984864.db2.gz LKTOXKPBOVWXPV-HHHXNRCGSA-N 0 0 474.601 5.472 40 0 JKABRN COc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000012478424 555984936 /nfs/dbraw/zinc/98/49/36/555984936.db2.gz XUMNZJLKQHOMIL-SANMLTNESA-N 0 0 460.574 5.429 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2OC)c1 ZINC000012479023 555985131 /nfs/dbraw/zinc/98/51/31/555985131.db2.gz LKVCFKYWKYSOLL-RUZDIDTESA-N 0 0 462.546 5.134 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1OC ZINC000012478821 555985150 /nfs/dbraw/zinc/98/51/50/555985150.db2.gz ZHUVXOPGNROGER-VWLOTQADSA-N 0 0 480.536 5.273 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccco2)cc1OC ZINC000012478915 555985166 /nfs/dbraw/zinc/98/51/66/555985166.db2.gz KAPVMGRSRCFRPT-MHZLTWQESA-N 0 0 490.600 5.172 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 ZINC000012479538 555985433 /nfs/dbraw/zinc/98/54/33/555985433.db2.gz ZVYVPZLJFWCDEP-DEOSSOPVSA-N 0 0 466.603 5.572 40 0 JKABRN COc1ccc(C(=O)N(Cc2ccco2)[C@H](C(=O)NCCC(C)C)c2ccc(C)cc2)cc1OC ZINC000012479485 555985446 /nfs/dbraw/zinc/98/54/46/555985446.db2.gz YAWSLGZHVJJECB-SANMLTNESA-N 0 0 478.589 5.151 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)c1 ZINC000012479143 555985450 /nfs/dbraw/zinc/98/54/50/555985450.db2.gz XYKDCCRVYHGAJD-VWLOTQADSA-N 0 0 464.537 5.260 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 ZINC000012479533 555985452 /nfs/dbraw/zinc/98/54/52/555985452.db2.gz ZVYVPZLJFWCDEP-XMMPIXPASA-N 0 0 466.603 5.572 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2OC)cc1 ZINC000012479457 555985509 /nfs/dbraw/zinc/98/55/09/555985509.db2.gz PQPVIQSTPIHMTC-SANMLTNESA-N 0 0 476.573 5.524 40 0 JKABRN COc1ccccc1CN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)o1 ZINC000012479736 555985829 /nfs/dbraw/zinc/98/58/29/555985829.db2.gz XDAGNMFJSNILOY-XMMPIXPASA-N 0 0 450.535 5.022 40 0 JKABRN O=C(Cc1ccsc1)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012483003 555986061 /nfs/dbraw/zinc/98/60/61/555986061.db2.gz SZQGCKOZOFZJOR-AREMUKBSSA-N 0 0 494.588 5.382 40 0 JKABRN O=C(Cc1ccsc1)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012483168 555986381 /nfs/dbraw/zinc/98/63/81/555986381.db2.gz RKGRVSVPDGAAIH-MHZLTWQESA-N 0 0 490.625 5.238 40 0 JKABRN COc1ccc(CN(C(=O)Cc2ccsc2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000012483188 555986386 /nfs/dbraw/zinc/98/63/86/555986386.db2.gz CVCUVPHHVOGZGY-MHZLTWQESA-N 0 0 476.642 5.518 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2ccsc2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000012483209 555986392 /nfs/dbraw/zinc/98/63/92/555986392.db2.gz FHGKXQNXIAEJPU-MHZLTWQESA-N 0 0 460.643 5.818 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2ccsc2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000012483200 555986393 /nfs/dbraw/zinc/98/63/93/555986393.db2.gz FHGKXQNXIAEJPU-HHHXNRCGSA-N 0 0 460.643 5.818 40 0 JKABRN O=C(Cc1ccsc1)N(c1cccc(Cl)c1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012483456 555986408 /nfs/dbraw/zinc/98/64/08/555986408.db2.gz QBEIZJOTVJYEFW-VWLOTQADSA-N 0 0 467.034 6.167 40 0 JKABRN O=C(Cc1ccsc1)N(c1ccc(F)c(Cl)c1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012483237 555986415 /nfs/dbraw/zinc/98/64/15/555986415.db2.gz CKUXVQUJXSTSBX-RUZDIDTESA-N 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ZINC000016284538 556133309 /nfs/dbraw/zinc/13/33/09/556133309.db2.gz FMRHCOBVWFOWSW-UHFFFAOYSA-N 0 0 495.608 5.796 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000016284539 556133312 /nfs/dbraw/zinc/13/33/12/556133312.db2.gz BSYCRGHEKBCKBD-UHFFFAOYSA-N 0 0 467.554 5.018 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000016284560 556133318 /nfs/dbraw/zinc/13/33/18/556133318.db2.gz OFDADWRVWUTSKC-UHFFFAOYSA-N 0 0 487.588 6.162 40 0 JKABRN Cc1ccc([C@]2(Br)[C@@H](C(=O)c3ccccc3)SC(=N)N2c2ccccc2)cc1 ZINC000016292145 556133641 /nfs/dbraw/zinc/13/36/41/556133641.db2.gz ZZHXKYPAEIBZJN-FYYLOGMGSA-N 0 0 451.389 5.982 40 0 JKABRN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Cl)c(Cl)c1 ZINC000024522704 556133668 /nfs/dbraw/zinc/13/36/68/556133668.db2.gz LIKYXMATJWYSAF-UHFFFAOYSA-N 0 0 452.337 6.991 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)cc1 ZINC000016293468 556134221 /nfs/dbraw/zinc/13/42/21/556134221.db2.gz CEHRMRPVFHAHGE-UHFFFAOYSA-N 0 0 498.910 5.486 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Oc3ccccc3)cc2)cc1 ZINC000016293519 556134288 /nfs/dbraw/zinc/13/42/88/556134288.db2.gz JFHCQESUKVGCGC-UHFFFAOYSA-N 0 0 488.565 5.606 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000016293404 556134334 /nfs/dbraw/zinc/13/43/34/556134334.db2.gz MTIJBGYFEIGIGZ-UHFFFAOYSA-N 0 0 465.358 5.120 40 0 JKABRN Cc1ccc(S(=O)(=O)C(=O)Nc2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)cc1 ZINC000016309079 556134361 /nfs/dbraw/zinc/13/43/61/556134361.db2.gz GWCFNGKJJIKVBE-UHFFFAOYSA-N 0 0 482.386 5.505 40 0 JKABRN Cc1ccc(-n2nnnc2-c2cnc(-c3cc(Cl)cc(Cl)c3)nc2-c2cccs2)cc1 ZINC000016311659 556134561 /nfs/dbraw/zinc/13/45/61/556134561.db2.gz NCSZBCCOYGFBLB-UHFFFAOYSA-N 0 0 465.369 6.130 40 0 JKABRN Cc1ccc(-n2nnnc2-c2cnn(-c3cccc(Cl)c3)c2-c2cccc(C(F)(F)F)c2)cc1 ZINC000016311674 556134603 /nfs/dbraw/zinc/13/46/03/556134603.db2.gz FGBGNHUCSIHAFS-UHFFFAOYSA-N 0 0 480.881 6.163 40 0 JKABRN Cc1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc(C)c(Cl)c3)C2)cc1Cl ZINC000016312982 556134941 /nfs/dbraw/zinc/13/49/41/556134941.db2.gz DKEXXOXITNUUNW-QZTJIDSGSA-N 0 0 477.436 6.360 40 0 JKABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2c1 ZINC000016321490 556135092 /nfs/dbraw/zinc/13/50/92/556135092.db2.gz MAQTXCVPIKXFPC-UHFFFAOYSA-N 0 0 470.963 5.295 40 0 JKABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc4c(Br)cccc34)sc2c1 ZINC000016321506 556135194 /nfs/dbraw/zinc/13/51/94/556135194.db2.gz IJHGHJFSBBJRDL-UHFFFAOYSA-N 0 0 499.415 5.297 40 0 JKABRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000016322920 556135427 /nfs/dbraw/zinc/13/54/27/556135427.db2.gz GGPPBSVNQHKOQL-SSDOTTSWSA-N 0 0 463.572 6.259 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)o2)cc1Cl ZINC000016346764 556135664 /nfs/dbraw/zinc/13/56/64/556135664.db2.gz CMWYWRBXTNSEHN-FYWRMAATSA-N 0 0 456.929 6.813 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(I)cc3Cl)o2)cc1Cl ZINC000016346686 556135699 /nfs/dbraw/zinc/13/56/99/556135699.db2.gz ULBYPHKKYLORDY-RMKNXTFCSA-N 0 0 498.147 6.818 40 0 JKABRN CC(C)(C)c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000016323324 556135742 /nfs/dbraw/zinc/13/57/42/556135742.db2.gz FXEBGHJRYNDBII-UHFFFAOYSA-N 0 0 458.875 5.756 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(-c5ccc(Cl)cc5)nc4c3)o2)cc1Cl ZINC000016346707 556135754 /nfs/dbraw/zinc/13/57/54/556135754.db2.gz YOLHKAZCNVYNJW-JLHYYAGUSA-N 0 0 489.358 8.022 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(-c5ccccc5)nc4c3)o2)cc1Cl ZINC000016346724 556135788 /nfs/dbraw/zinc/13/57/88/556135788.db2.gz OFAFLCDBDIYVEG-SDNWHVSQSA-N 0 0 454.913 7.369 40 0 JKABRN O=C(NCCCCCCCCCCCCNC(=O)c1c(F)cccc1F)c1c(F)cccc1F ZINC000016384101 556136584 /nfs/dbraw/zinc/13/65/84/556136584.db2.gz GCZGGRJSMSFFNU-UHFFFAOYSA-N 0 0 480.546 6.304 40 0 JKABRN Cn1c2ccccc2c2cc(/C=C(/NC(=O)c3ccccc3)C(=O)NCc3ccccc3Cl)ccc21 ZINC000016382493 556136659 /nfs/dbraw/zinc/13/66/59/556136659.db2.gz XCWOBBKPFOAJJQ-NLRVBDNBSA-N 0 0 493.994 6.072 40 0 JKABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000016362585 556136663 /nfs/dbraw/zinc/13/66/63/556136663.db2.gz SYILTFCBINARFR-UHFFFAOYSA-N 0 0 477.414 5.626 40 0 JKABRN S=C(Nc1ccc(Cl)cc1Cl)N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000016385094 556136908 /nfs/dbraw/zinc/13/69/08/556136908.db2.gz FXJNJGBBEYLBLS-UHFFFAOYSA-N 0 0 494.300 6.012 40 0 JKABRN O=C(NCCc1cn(C(=O)Nc2ccc(Cl)c(Cl)c2)cn1)Nc1ccc(Cl)c(Cl)c1 ZINC000016385459 556136922 /nfs/dbraw/zinc/13/69/22/556136922.db2.gz MGUXQXXIMDEYNT-UHFFFAOYSA-N 0 0 487.174 5.941 40 0 JKABRN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccc2c(Br)cccc12 ZINC000016399406 556137530 /nfs/dbraw/zinc/13/75/30/556137530.db2.gz VHLQTVIAYOROQE-UHFFFAOYSA-N 0 0 477.745 7.316 40 0 JKABRN O=C(NCc1ccc(Cl)cc1)NC[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(Cl)cc2)C1 ZINC000016401504 556138361 /nfs/dbraw/zinc/13/83/61/556138361.db2.gz SJVPPZPQXUAIHW-BGYRXZFFSA-N 0 0 477.436 5.098 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016401272 556138367 /nfs/dbraw/zinc/13/83/67/556138367.db2.gz GTHPYUPIMHHBSP-UHFFFAOYSA-N 0 0 460.024 5.889 40 0 JKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000016429523 556138837 /nfs/dbraw/zinc/13/88/37/556138837.db2.gz XZUAUZZTNAQBRN-UHFFFAOYSA-N 0 0 492.807 6.099 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000016431629 556139169 /nfs/dbraw/zinc/13/91/69/556139169.db2.gz PYZIMGFTNGAFML-FMIVXFBMSA-N 0 0 476.319 7.109 40 0 JKABRN S=C(/C(=C/N1CCOCC1)c1ccccc1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000016450703 556139778 /nfs/dbraw/zinc/13/97/78/556139778.db2.gz UCYIOQVYUJKKPC-XAYXJRQQSA-N 0 0 450.607 6.679 40 0 JKABRN O=C(Nc1ccc(C(=O)Nc2cccc3c(Br)cccc23)cc1Cl)c1ccccc1 ZINC000016476820 556139804 /nfs/dbraw/zinc/13/98/04/556139804.db2.gz LVHKAUCSEYMTNS-UHFFFAOYSA-N 0 0 479.761 6.760 40 0 JKABRN O=c1/c(=C/c2ccc(Cl)cc2Cl)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000016478256 556140026 /nfs/dbraw/zinc/14/00/26/556140026.db2.gz XJUZZTCJEMSOCN-PNZYDNNZSA-N 0 0 489.427 5.626 40 0 JKABRN O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000016477345 556140042 /nfs/dbraw/zinc/14/00/42/556140042.db2.gz ZAZPTVXVFDSBSG-UHFFFAOYSA-N 0 0 476.620 5.663 40 0 JKABRN Clc1ccccc1[C@@H](c1ccccc1)N1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000016477841 556140049 /nfs/dbraw/zinc/14/00/49/556140049.db2.gz OVJVDTTXDNOGCZ-RUZDIDTESA-N 0 0 475.061 6.135 40 0 JKABRN O=C(Cc1ccccc1)Nc1ccc(OC(=O)Cc2ccccc2)c(-c2nc3ccccc3o2)c1 ZINC000016478635 556140073 /nfs/dbraw/zinc/14/00/73/556140073.db2.gz CUKUBHIIPFAMCS-UHFFFAOYSA-N 0 0 462.505 5.824 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000016479638 556140310 /nfs/dbraw/zinc/14/03/10/556140310.db2.gz CFSCERGWYINWRU-UHFFFAOYSA-N 0 0 486.593 5.095 40 0 JKABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000016479589 556140319 /nfs/dbraw/zinc/14/03/19/556140319.db2.gz LIBCHPRXJXUKGN-UHFFFAOYSA-N 0 0 482.911 5.188 40 0 JKABRN O=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1Br ZINC000016487876 556140605 /nfs/dbraw/zinc/14/06/05/556140605.db2.gz APBTYOLFZCTMHR-UHFFFAOYSA-N 0 0 461.384 6.455 40 0 JKABRN O=C(Nc1ccccc1)Nc1ccc(Sc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000016489628 556140651 /nfs/dbraw/zinc/14/06/51/556140651.db2.gz WMLGYCCPZBFYGE-UHFFFAOYSA-N 0 0 454.555 7.126 40 0 JKABRN S=C(NCCN(C(=S)Nc1ccc(Cl)cc1)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000016487805 556140664 /nfs/dbraw/zinc/14/06/64/556140664.db2.gz UMXRKRPVXFAWSL-UHFFFAOYSA-N 0 0 475.470 6.183 40 0 JKABRN O=C(Nc1ccccc1)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000016489644 556140670 /nfs/dbraw/zinc/14/06/70/556140670.db2.gz BSAXGABSFYQTDS-UHFFFAOYSA-N 0 0 486.553 5.807 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000016492150 556141184 /nfs/dbraw/zinc/14/11/84/556141184.db2.gz PWUGYFOTDWYBRE-UHFFFAOYSA-N 0 0 455.366 7.046 40 0 JKABRN Nc1c(C(=O)c2ccc(Cl)cc2Cl)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000016492638 556141194 /nfs/dbraw/zinc/14/11/94/556141194.db2.gz PQMUGTSUBCVBMF-UHFFFAOYSA-N 0 0 467.299 7.102 40 0 JKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000016491990 556141223 /nfs/dbraw/zinc/14/12/23/556141223.db2.gz NAZGSSYGQWZUCR-UHFFFAOYSA-N 0 0 469.466 7.235 40 0 JKABRN Clc1ccc2ncc(-c3nnnn3-c3ccc(Br)cc3)c(-c3ccccc3)c2c1 ZINC000016492493 556141248 /nfs/dbraw/zinc/14/12/48/556141248.db2.gz GPSWFCIOJWLEBW-UHFFFAOYSA-N 0 0 462.738 5.960 40 0 JKABRN c1ccc(C2=NN(c3cc(N4CCOCC4)nc(-c4ccccc4)n3)[C@@H](c3ccccc3)C2)cc1 ZINC000016493402 556141453 /nfs/dbraw/zinc/14/14/53/556141453.db2.gz CMZMSJBFABMBKH-AREMUKBSSA-N 0 0 461.569 5.336 40 0 JKABRN O=C(Nc1cccc(Cl)c1)Nc1nc(NC(=O)Nc2cccc(Cl)c2)nc(-c2ccccc2)n1 ZINC000016493425 556141481 /nfs/dbraw/zinc/14/14/81/556141481.db2.gz QEPNIFVYELMHSM-UHFFFAOYSA-N 0 0 494.342 6.133 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)Nc1nc(NC(=O)Nc2ccc(Cl)cc2)nc(-c2ccccc2)n1 ZINC000016493423 556141488 /nfs/dbraw/zinc/14/14/88/556141488.db2.gz HTVKEAFFTWWRNI-UHFFFAOYSA-N 0 0 494.342 6.133 40 0 JKABRN O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cc(Br)ccc1Cl ZINC000016493344 556141497 /nfs/dbraw/zinc/14/14/97/556141497.db2.gz XZKINTKBTJSNEO-UHFFFAOYSA-N 0 0 452.786 5.353 40 0 JKABRN O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000016493014 556141525 /nfs/dbraw/zinc/14/15/25/556141525.db2.gz AHZMONCBTMPAIC-UHFFFAOYSA-N 0 0 470.637 8.262 40 0 JKABRN O=C(OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000016492653 556141544 /nfs/dbraw/zinc/14/15/44/556141544.db2.gz HDBRBZSWEYRZQF-UHFFFAOYSA-N 0 0 487.180 7.328 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC000016545513 556143129 /nfs/dbraw/zinc/14/31/29/556143129.db2.gz IXRKVQNHYWDURI-UHFFFAOYSA-N 0 0 474.394 6.103 40 0 JKABRN O=C(Nc1nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2s1)c1ccc2ccccc2c1 ZINC000016545797 556143143 /nfs/dbraw/zinc/14/31/43/556143143.db2.gz FRZREFZYRBNOMB-UHFFFAOYSA-N 0 0 473.557 7.107 40 0 JKABRN CC(C)c1ccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3ccc(C(C)C)cc3)C2)cc1 ZINC000016575920 556144872 /nfs/dbraw/zinc/14/48/72/556144872.db2.gz WOQVJCKHSOARRR-VXKWHMMOSA-N 0 0 464.654 6.683 40 0 JKABRN CC(C)Oc1cccc(C(=O)Nc2nc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3s2)c1 ZINC000016575695 556144982 /nfs/dbraw/zinc/14/49/82/556144982.db2.gz BCXCMRFPZFEJGZ-UHFFFAOYSA-N 0 0 489.597 6.375 40 0 JKABRN CC[C@@H](C)c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc([C@@H](C)CC)cc3)C2)cc1 ZINC000016610506 556146092 /nfs/dbraw/zinc/14/60/92/556146092.db2.gz PSNUTZZEFQNGOL-UEQSERJNSA-N 0 0 492.708 7.463 40 0 JKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2)CC1 ZINC000016609324 556146096 /nfs/dbraw/zinc/14/60/96/556146096.db2.gz NLWKVJXLABITRR-UHFFFAOYSA-N 0 0 488.440 6.617 40 0 JKABRN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 ZINC000016610363 556146128 /nfs/dbraw/zinc/14/61/28/556146128.db2.gz QBNFWSUGGCDBFS-QGZVFWFLSA-N 0 0 489.601 5.042 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5cc4OC)c3)nc2c1 ZINC000016610783 556146644 /nfs/dbraw/zinc/14/66/44/556146644.db2.gz IDYGULJBJTXVBS-SFHVURJKSA-N 0 0 450.538 7.422 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3)nc2c1 ZINC000016610756 556146677 /nfs/dbraw/zinc/14/66/77/556146677.db2.gz NFIAUYNURQDYQX-HNNXBMFYSA-N 0 0 460.986 8.129 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OCc5ccccc5)cc4)c3)nc2c1 ZINC000016610840 556146738 /nfs/dbraw/zinc/14/67/38/556146738.db2.gz PSHGKFDLLMMGIC-OAQYLSRUSA-N 0 0 476.576 7.840 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)c3)nc2c1 ZINC000016610925 556147013 /nfs/dbraw/zinc/14/70/13/556147013.db2.gz KJKRORPADDZHDY-RKCSUWQLSA-N 0 0 490.028 7.188 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)c3)nc2c1 ZINC000016611049 556147220 /nfs/dbraw/zinc/14/72/20/556147220.db2.gz MPEGQPMMZMIWLS-CQSZACIVSA-N 0 0 498.435 7.442 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4C)c3)nc2c1 ZINC000016611019 556147236 /nfs/dbraw/zinc/14/72/36/556147236.db2.gz YCDZOQWRBUUXMO-QGZVFWFLSA-N 0 0 473.598 6.209 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)c3)nc2c1 ZINC000016611087 556147249 /nfs/dbraw/zinc/14/72/49/556147249.db2.gz IZGKHROVCUAUEY-AWEZNQCLSA-N 0 0 498.435 7.442 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4Cl)c3)nc2c1 ZINC000016611024 556147288 /nfs/dbraw/zinc/14/72/88/556147288.db2.gz AVFBWBOHRHOXTQ-MRXNPFEDSA-N 0 0 494.016 6.554 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4Cl)c3)nc2c1 ZINC000016611171 556147707 /nfs/dbraw/zinc/14/77/07/556147707.db2.gz QKAPMRDVVPFRMK-INIZCTEOSA-N 0 0 478.017 7.097 40 0 JKABRN CC[C@H](CCNC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016611315 556147970 /nfs/dbraw/zinc/14/79/70/556147970.db2.gz WSVRQBNGXRYSIO-LLVKDONJSA-N 0 0 478.207 6.412 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000016637080 556148595 /nfs/dbraw/zinc/14/85/95/556148595.db2.gz FUYGNYWPMATEEP-UHFFFAOYSA-N 0 0 462.015 5.268 40 0 JKABRN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2Cl)CC1 ZINC000016681535 556150839 /nfs/dbraw/zinc/15/08/39/556150839.db2.gz WSSZGQYCQQGLID-UHFFFAOYSA-N 0 0 478.807 6.301 40 0 JKABRN CCNc1ccc2c(c1)Oc1cc(NCC)ccc1C21c2ccccc2C(=O)N1c1ccccc1 ZINC000016681929 556151094 /nfs/dbraw/zinc/15/10/94/556151094.db2.gz JVWJKRSEBFSACL-UHFFFAOYSA-N 0 0 461.565 6.608 40 0 JKABRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2cccs2)N1c1ccc(N2CCOCC2)cc1 ZINC000016682607 556151109 /nfs/dbraw/zinc/15/11/09/556151109.db2.gz XOLYFQUPKKLCLR-DEOSSOPVSA-N 0 0 497.020 5.140 40 0 JKABRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2cccs2)N1c1ccc(N2CCOCC2)cc1 ZINC000016682608 556151115 /nfs/dbraw/zinc/15/11/15/556151115.db2.gz XOLYFQUPKKLCLR-XMMPIXPASA-N 0 0 497.020 5.140 40 0 JKABRN CCOC(=O)C1=C(C)N(c2c(C)cccc2C)[P@H](=O)N(c2cccc3ccccc32)C1=S ZINC000016682310 556151155 /nfs/dbraw/zinc/15/11/55/556151155.db2.gz CPFAQYKIKSZQKC-UHFFFAOYSA-N 0 0 464.527 6.337 40 0 JKABRN CCN1c2ccccc2Sc2cc(/C=C/[C@]34NC(=O)CCN3c3ccccc3C4(C)C)ccc21 ZINC000016681652 556151163 /nfs/dbraw/zinc/15/11/63/556151163.db2.gz ARFQBIVYUATVIY-NUKVQWKISA-N 0 0 467.638 6.336 40 0 JKABRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)NN1C ZINC000016682615 556151467 /nfs/dbraw/zinc/15/14/67/556151467.db2.gz JWLCIAGIGZRFMU-QHCPKHFHSA-N 0 0 499.398 5.404 40 0 JKABRN CCOC(=O)c1c2c(sc1Nc1nc3nonc3nc1Nc1ccc(C)cc1C)CCCC2 ZINC000016687733 556151480 /nfs/dbraw/zinc/15/14/80/556151480.db2.gz MKLKWRPOPKZEBJ-UHFFFAOYSA-N 0 0 464.551 5.234 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000016687825 556151737 /nfs/dbraw/zinc/15/17/37/556151737.db2.gz ODXBBLQYOGNNAG-UHFFFAOYSA-N 0 0 488.396 5.287 40 0 JKABRN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000016688147 556151760 /nfs/dbraw/zinc/15/17/60/556151760.db2.gz LMKHPGPJNUGGBW-UHFFFAOYSA-N 0 0 488.371 6.687 40 0 JKABRN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000016687874 556151855 /nfs/dbraw/zinc/15/18/55/556151855.db2.gz LGEGWMORAXPBLS-UHFFFAOYSA-N 0 0 473.348 5.013 40 0 JKABRN CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)cc(Cl)c1OC(C)=O ZINC000016688285 556152039 /nfs/dbraw/zinc/15/20/39/556152039.db2.gz GLQCLZFNNQAESY-APSNUPSMSA-N 0 0 454.693 5.315 40 0 JKABRN CCOc1cc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)cc(OCC)c1OCC ZINC000016688386 556152148 /nfs/dbraw/zinc/15/21/48/556152148.db2.gz WBSVZKSKFRGSPD-UHFFFAOYSA-N 0 0 495.041 5.666 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccc(C)cc4)ccc3o2)cc1 ZINC000016691947 556153007 /nfs/dbraw/zinc/15/30/07/556153007.db2.gz KASVRCSSKLHFMH-UHFFFAOYSA-N 0 0 461.543 5.094 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4cccc(C)c4)ccc3o2)cc1 ZINC000016691963 556153051 /nfs/dbraw/zinc/15/30/51/556153051.db2.gz NVGUSTRPBKLPIQ-UHFFFAOYSA-N 0 0 461.543 5.094 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)cc1 ZINC000016692025 556153412 /nfs/dbraw/zinc/15/34/12/556153412.db2.gz NENBWROIGPENNN-UHFFFAOYSA-N 0 0 493.588 6.687 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(C)c4OC)ccc3o2)cc1 ZINC000016692057 556153471 /nfs/dbraw/zinc/15/34/71/556153471.db2.gz YJSQYXDWJQJPOM-UHFFFAOYSA-N 0 0 461.543 5.337 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)ccc3o2)cc1 ZINC000016692049 556153485 /nfs/dbraw/zinc/15/34/85/556153485.db2.gz XBYMNTFHTWWOQN-UHFFFAOYSA-N 0 0 489.597 6.055 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5cc4OC)ccc3o2)cc1 ZINC000016691987 556153489 /nfs/dbraw/zinc/15/34/89/556153489.db2.gz JAUSXFLQZBMZKC-UHFFFAOYSA-N 0 0 497.576 6.182 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)ccc3o2)cc1 ZINC000016692011 556153499 /nfs/dbraw/zinc/15/34/99/556153499.db2.gz JYFQOUMKTANNHX-UHFFFAOYSA-N 0 0 459.571 6.144 40 0 JKABRN CCOc1ccc(CNc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc1OCC ZINC000016692983 556153664 /nfs/dbraw/zinc/15/36/64/556153664.db2.gz SPXCNIGYMTTYPV-UHFFFAOYSA-N 0 0 481.556 5.226 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1Br ZINC000016692161 556153667 /nfs/dbraw/zinc/15/36/67/556153667.db2.gz TXALDPRHOUHOQN-UHFFFAOYSA-N 0 0 489.728 6.701 40 0 JKABRN CCOc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)sc2c1 ZINC000016693077 556153685 /nfs/dbraw/zinc/15/36/85/556153685.db2.gz VCBKQUKIPBTQAG-XBXARRHUSA-N 0 0 452.388 5.528 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)cc1 ZINC000016692061 556153704 /nfs/dbraw/zinc/15/37/04/556153704.db2.gz UBDRMVUVCPNOMU-UHFFFAOYSA-N 0 0 451.935 5.674 40 0 JKABRN Cc1cc(C)c(/N=c2\scc(-c3ccc(Br)cc3)n2Cc2ccccc2)c(C)c1 ZINC000016711536 556154007 /nfs/dbraw/zinc/15/40/07/556154007.db2.gz FTMLIXBFRFHFRU-RFBIWTDZSA-N 0 0 463.444 7.185 40 0 JKABRN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccc(Cl)c(Cl)c1 ZINC000016713422 556154364 /nfs/dbraw/zinc/15/43/64/556154364.db2.gz LVRHBXPURQLBRI-UHFFFAOYSA-N 0 0 460.346 5.019 40 0 JKABRN O=C(Oc1ccc2ccccc2c1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000016739505 556156234 /nfs/dbraw/zinc/15/62/34/556156234.db2.gz VNHRPJUQZADNAN-UHFFFAOYSA-N 0 0 452.513 7.336 40 0 JKABRN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000016739523 556156467 /nfs/dbraw/zinc/15/64/67/556156467.db2.gz CLNRVZDPUWZHAI-UHFFFAOYSA-N 0 0 496.788 7.238 40 0 JKABRN CCOC(=O)c1c(NC(=O)Cc2c(OC)ccc3cc(Br)ccc32)sc2c1CCC2 ZINC000016756903 556157722 /nfs/dbraw/zinc/15/77/22/556157722.db2.gz AIJNJVQRFIMVDY-UHFFFAOYSA-N 0 0 488.403 5.519 40 0 JKABRN Cc1ccc(C)c(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 ZINC000016757803 556157779 /nfs/dbraw/zinc/15/77/79/556157779.db2.gz IWHYBDYSECLWOB-UHFFFAOYSA-N 0 0 456.014 7.650 40 0 JKABRN CCc1ccc(S(=O)(=O)/N=c2/scc(-c3ccc(OC(=O)c4ccccc4)cc3)n2CC)cc1 ZINC000016754815 556157804 /nfs/dbraw/zinc/15/78/04/556157804.db2.gz WBJFZNMNDWYJDJ-CYYJNZCTSA-N 0 0 492.622 5.308 40 0 JKABRN O=C(CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)c1ccccc1 ZINC000016757823 556157822 /nfs/dbraw/zinc/15/78/22/556157822.db2.gz NFQYRBILAHBGTE-UHFFFAOYSA-N 0 0 455.970 6.716 40 0 JKABRN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000016756279 556157826 /nfs/dbraw/zinc/15/78/26/556157826.db2.gz GXWNMTFPALTGMJ-UHFFFAOYSA-N 0 0 452.539 5.623 40 0 JKABRN CC(C)N(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000016768349 556158454 /nfs/dbraw/zinc/15/84/54/556158454.db2.gz DQLBFOFBSKYWLF-UHFFFAOYSA-N 0 0 486.541 7.521 40 0 JKABRN CN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000016768344 556158458 /nfs/dbraw/zinc/15/84/58/556158458.db2.gz ONWVXZCBCFBLMI-UHFFFAOYSA-N 0 0 458.487 6.743 40 0 JKABRN Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)cc1 ZINC000016758079 556158494 /nfs/dbraw/zinc/15/84/94/556158494.db2.gz GXAZKATXJSLHMR-UHFFFAOYSA-N 0 0 456.014 7.650 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(CCO)Cc2ccccc2)cc1Cl ZINC000016768311 556158530 /nfs/dbraw/zinc/15/85/30/556158530.db2.gz YRMNJMYPATYEJT-UHFFFAOYSA-N 0 0 468.988 6.048 40 0 JKABRN COc1ccc(Cl)cc1CN(C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000016769837 556158716 /nfs/dbraw/zinc/15/87/16/556158716.db2.gz NYMZLAPVXDQNOW-UHFFFAOYSA-N 0 0 460.365 5.559 40 0 JKABRN CCc1cccc(C)c1N(C(=O)Cn1c2ccccc2nc1[C@@H](O)c1ccccc1)[C@H](C)COC ZINC000016776810 556158848 /nfs/dbraw/zinc/15/88/48/556158848.db2.gz JTMGAQXFWYWKDQ-PIKZIKFNSA-N 0 0 471.601 5.057 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 ZINC000016779578 556159101 /nfs/dbraw/zinc/15/91/01/556159101.db2.gz JIWJSIFXTDQCKS-UHFFFAOYSA-N 0 0 466.534 5.364 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(C)c(NS(=O)(=O)c3ccccc3)cc21 ZINC000016779599 556159172 /nfs/dbraw/zinc/15/91/72/556159172.db2.gz CGUCIUUIRIYFHT-UHFFFAOYSA-N 0 0 478.570 5.233 40 0 JKABRN Cc1ccc(S[C@@H]2CSc3nc(=O)c4c5c(sc4n3[C@H]2c2ccccc2)CCCC5)cc1 ZINC000016779170 556159191 /nfs/dbraw/zinc/15/91/91/556159191.db2.gz ZVOVFWJSITYQJN-GGAORHGYSA-N 0 0 476.692 6.501 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788813 556159696 /nfs/dbraw/zinc/15/96/96/556159696.db2.gz JIAOTSSLLCAEDI-UHFFFAOYSA-N 0 0 452.942 5.766 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2-c2ccccc2)cc1 ZINC000016788757 556159728 /nfs/dbraw/zinc/15/97/28/556159728.db2.gz JHQJNYQNXJPEMU-UHFFFAOYSA-N 0 0 492.604 6.766 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000016788718 556159735 /nfs/dbraw/zinc/15/97/35/556159735.db2.gz DLQMKDFWKURHDQ-UHFFFAOYSA-N 0 0 469.397 6.280 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788819 556159743 /nfs/dbraw/zinc/15/97/43/556159743.db2.gz ALYVKFNHMQRTLC-UHFFFAOYSA-N 0 0 469.397 6.280 40 0 JKABRN COc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(OC)c1 ZINC000016788711 556159749 /nfs/dbraw/zinc/15/97/49/556159749.db2.gz WMEXXHCFLHVYKR-UHFFFAOYSA-N 0 0 480.977 5.336 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2-c2ccccc2)cc1 ZINC000016788767 556159758 /nfs/dbraw/zinc/15/97/58/556159758.db2.gz UKOLQJAPQWHXGO-UHFFFAOYSA-N 0 0 469.397 6.280 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccc(C)cc4)n3C)ccc21 ZINC000016788742 556159778 /nfs/dbraw/zinc/15/97/78/556159778.db2.gz TWYXMGGMQHTCEM-UHFFFAOYSA-N 0 0 455.587 5.649 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2-c2ccc(C)cc2)cc1 ZINC000016788801 556159785 /nfs/dbraw/zinc/15/97/85/556159785.db2.gz HPEQGDBAYDVCGX-UHFFFAOYSA-N 0 0 466.969 6.074 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccc(C)cc2)cc1 ZINC000016788846 556159973 /nfs/dbraw/zinc/15/99/73/556159973.db2.gz XAHXSNLFOBOBFY-UHFFFAOYSA-N 0 0 472.614 5.907 40 0 JKABRN Cc1ccc(-n2c(SCc3cccc(Br)c3)nnc2-c2cccc(C)c2)cc1 ZINC000016788951 556160062 /nfs/dbraw/zinc/16/00/62/556160062.db2.gz FLVXLAOWZBRKRZ-UHFFFAOYSA-N 0 0 450.405 6.606 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)c3ccc(OC)cc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000016789061 556160239 /nfs/dbraw/zinc/16/02/39/556160239.db2.gz NRVILVSTUJTURN-UHFFFAOYSA-N 0 0 475.570 5.325 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2cccc(C)c2)cc1 ZINC000016788993 556160277 /nfs/dbraw/zinc/16/02/77/556160277.db2.gz OGNSTAQZMTXOJD-UHFFFAOYSA-N 0 0 476.577 5.820 40 0 JKABRN COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2-c2ccccc2)cc1 ZINC000016789035 556160307 /nfs/dbraw/zinc/16/03/07/556160307.db2.gz AQVHYEBVYORWDP-UHFFFAOYSA-N 0 0 485.396 5.981 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2cccc(Cl)c2)cc1 ZINC000016789223 556160509 /nfs/dbraw/zinc/16/05/09/556160509.db2.gz FLNWSCHWCLYUOA-UHFFFAOYSA-N 0 0 463.006 6.244 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)c3ccccc3Br)nnc2-c2cccc(Cl)c2)cc1 ZINC000016789217 556160515 /nfs/dbraw/zinc/16/05/15/556160515.db2.gz HMKWAMOUAVHUED-UHFFFAOYSA-N 0 0 498.833 6.634 40 0 JKABRN Clc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccccc2Cl)cc1 ZINC000016789158 556160535 /nfs/dbraw/zinc/16/05/35/556160535.db2.gz VPZFWSFWQZIGPB-UHFFFAOYSA-N 0 0 491.241 7.296 40 0 JKABRN O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000016789240 556160539 /nfs/dbraw/zinc/16/05/39/556160539.db2.gz NQMPENCIFAIKLD-UHFFFAOYSA-N 0 0 474.369 5.780 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000016789160 556160562 /nfs/dbraw/zinc/16/05/62/556160562.db2.gz VPEFEVJHNDBZPT-UHFFFAOYSA-N 0 0 490.415 7.369 40 0 JKABRN COc1cc2ccnc([C@@H](OC(=O)c3ccccc3)c3ccc(OC)c(OC)c3OC)c2cc1OC ZINC000012953092 556160768 /nfs/dbraw/zinc/16/07/68/556160768.db2.gz XEEHTFAGYISFAM-VWLOTQADSA-N 0 0 489.524 5.224 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000016789378 556160779 /nfs/dbraw/zinc/16/07/79/556160779.db2.gz FVCNHEFMTHFHNT-UHFFFAOYSA-N 0 0 488.613 5.593 40 0 JKABRN CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 ZINC000016789342 556160791 /nfs/dbraw/zinc/16/07/91/556160791.db2.gz RNDWCTUIEZXAGA-UHFFFAOYSA-N 0 0 458.587 5.448 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3Cl)n2-c2ccccc2)cc1 ZINC000016789352 556160865 /nfs/dbraw/zinc/16/08/65/556160865.db2.gz HODSVBYNIBTEMD-UHFFFAOYSA-N 0 0 493.032 6.156 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000016789407 556161006 /nfs/dbraw/zinc/16/10/06/556161006.db2.gz SUJXCRQIPYRYHM-UHFFFAOYSA-N 0 0 463.990 6.092 40 0 JKABRN CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000016789392 556161051 /nfs/dbraw/zinc/16/10/51/556161051.db2.gz AJHADUUVYJLNOK-UHFFFAOYSA-N 0 0 472.614 5.756 40 0 JKABRN O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)c1ccccc1Br ZINC000016789503 556161058 /nfs/dbraw/zinc/16/10/58/556161058.db2.gz WMOURDQENFXDOH-UHFFFAOYSA-N 0 0 485.794 5.720 40 0 JKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1cccc2ccccc21 ZINC000016805110 556161366 /nfs/dbraw/zinc/16/13/66/556161366.db2.gz VEZBLZJAASACGR-UHFFFAOYSA-N 0 0 461.999 6.896 40 0 JKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000016807618 556162404 /nfs/dbraw/zinc/16/24/04/556162404.db2.gz QGUUNJYMOIXQLQ-UHFFFAOYSA-N 0 0 452.963 5.904 40 0 JKABRN O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016807828 556162445 /nfs/dbraw/zinc/16/24/45/556162445.db2.gz NPSGDHYUBZDVFR-UHFFFAOYSA-N 0 0 493.898 5.384 40 0 JKABRN Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@H](Sc2ccc(C)cc2)CS1 ZINC000016807330 556162474 /nfs/dbraw/zinc/16/24/74/556162474.db2.gz UYCLCWNHDPIKGH-CTNGQTDRSA-N 0 0 450.654 6.239 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccccc1)c(C)c2C ZINC000016807673 556162496 /nfs/dbraw/zinc/16/24/96/556162496.db2.gz YKTWGIDRGIOVOR-UHFFFAOYSA-N 0 0 476.598 5.842 40 0 JKABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 ZINC000016807893 556162649 /nfs/dbraw/zinc/16/26/49/556162649.db2.gz UZQGRQJQZIMMJL-UHFFFAOYSA-N 0 0 458.587 5.545 40 0 JKABRN COc1cccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)n2-c2ccc(Cl)cc2)c1 ZINC000016807925 556162694 /nfs/dbraw/zinc/16/26/94/556162694.db2.gz MGXUWYLIBZAVLB-UHFFFAOYSA-N 0 0 485.996 6.725 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000024971914 556166237 /nfs/dbraw/zinc/16/62/37/556166237.db2.gz ZBXQXWBDQKFPTI-UHFFFAOYSA-N 0 0 479.993 5.421 40 0 JKABRN COc1ccc(OCCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000016902484 556173297 /nfs/dbraw/zinc/17/32/97/556173297.db2.gz XMUWFSVDPBALAN-NRFANRHFSA-N 0 0 485.584 5.433 40 0 JKABRN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CC1=O ZINC000016902573 556173543 /nfs/dbraw/zinc/17/35/43/556173543.db2.gz QJJUKTPKYISTIP-KRWDZBQOSA-N 0 0 450.369 6.220 40 0 JKABRN COc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000016902509 556173565 /nfs/dbraw/zinc/17/35/65/556173565.db2.gz MNNDQKLZBCMSAU-HXUWFJFHSA-N 0 0 471.557 5.043 40 0 JKABRN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CC1=O ZINC000016902575 556173600 /nfs/dbraw/zinc/17/36/00/556173600.db2.gz QJJUKTPKYISTIP-QGZVFWFLSA-N 0 0 450.369 6.220 40 0 JKABRN CN(C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N(C)c1ccccc1)c1ccccc1 ZINC000016925782 556180688 /nfs/dbraw/zinc/18/06/88/556180688.db2.gz HKNKWBFRHSEOPL-QYVRTBTHSA-N 0 0 472.588 5.836 40 0 JKABRN Cc1ccccc1CCN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013024924 556215147 /nfs/dbraw/zinc/21/51/47/556215147.db2.gz MKWUBOIZGNWIMR-VWLOTQADSA-N 0 0 464.993 5.726 40 0 JKABRN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000017083449 556215392 /nfs/dbraw/zinc/21/53/92/556215392.db2.gz ZXSQSHGCAGZCNK-LJAQVGFWSA-N 0 0 467.952 6.014 40 0 JKABRN COc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000013024975 556215444 /nfs/dbraw/zinc/21/54/44/556215444.db2.gz DDJQEQZTZHFLNE-QHCPKHFHSA-N 0 0 452.938 5.389 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)cc1 ZINC000013025473 556216051 /nfs/dbraw/zinc/21/60/51/556216051.db2.gz HEFSNBVCNRIILF-AREMUKBSSA-N 0 0 460.574 5.429 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)cc1 ZINC000013025475 556216067 /nfs/dbraw/zinc/21/60/67/556216067.db2.gz HEFSNBVCNRIILF-SANMLTNESA-N 0 0 460.574 5.429 40 0 JKABRN Cc1ccc(COc2ccccc2[C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 ZINC000017086296 556216324 /nfs/dbraw/zinc/21/63/24/556216324.db2.gz VUEVCUMMANPPTO-SANMLTNESA-N 0 0 465.557 5.402 40 0 JKABRN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000017086284 556216337 /nfs/dbraw/zinc/21/63/37/556216337.db2.gz DKZHDYIOVVGUAH-VWLOTQADSA-N 0 0 485.975 5.747 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(C)ccc2OC)cc1 ZINC000013025533 556216336 /nfs/dbraw/zinc/21/63/36/556216336.db2.gz RRZAXTORBUEQEZ-AREMUKBSSA-N 0 0 476.573 5.442 40 0 JKABRN CC[C@H](C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013025644 556216377 /nfs/dbraw/zinc/21/63/77/556216377.db2.gz YSRCABYLHXVCNG-MHECFPHRSA-N 0 0 450.604 6.302 40 0 JKABRN COc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000017086219 556216380 /nfs/dbraw/zinc/21/63/80/556216380.db2.gz OQGPCGCXVXCEOX-CJLVFECKSA-N 0 0 455.510 5.556 40 0 JKABRN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 ZINC000017086292 556216389 /nfs/dbraw/zinc/21/63/89/556216389.db2.gz QGQOWYMTIJZVNR-VWLOTQADSA-N 0 0 469.520 5.232 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013025756 556216580 /nfs/dbraw/zinc/21/65/80/556216580.db2.gz DPMQWHYBPHAGST-XMMPIXPASA-N 0 0 450.510 5.264 40 0 JKABRN O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)c1ccco1 ZINC000013025684 556216625 /nfs/dbraw/zinc/21/66/25/556216625.db2.gz WWQCMGCAABDQEO-HSZRJFAPSA-N 0 0 454.929 5.515 40 0 JKABRN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2OCc2ccc(Cl)cc2)n2ncnc2N1 ZINC000017086339 556216633 /nfs/dbraw/zinc/21/66/33/556216633.db2.gz YPMPQHTWVXRNFG-RUZDIDTESA-N 0 0 485.975 5.116 40 0 JKABRN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2OCc2ccc(F)cc2)n2ncnc2N1 ZINC000017086326 556216637 /nfs/dbraw/zinc/21/66/37/556216637.db2.gz LLAYWJIBAVTKHJ-DEOSSOPVSA-N 0 0 489.938 5.577 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)c1ccco1 ZINC000013025687 556216673 /nfs/dbraw/zinc/21/66/73/556216673.db2.gz WWQCMGCAABDQEO-QHCPKHFHSA-N 0 0 454.929 5.515 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)c2ccco2)c1 ZINC000013025804 556216966 /nfs/dbraw/zinc/21/69/66/556216966.db2.gz NWOLPMSEXYNKBT-VWLOTQADSA-N 0 0 450.579 5.421 40 0 JKABRN CCOc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013025788 556217019 /nfs/dbraw/zinc/21/70/19/556217019.db2.gz UQOZRULJODXJAJ-XMMPIXPASA-N 0 0 450.510 5.264 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)c1 ZINC000013025854 556217026 /nfs/dbraw/zinc/21/70/26/556217026.db2.gz ITUXMPUFDKGKIA-DEOSSOPVSA-N 0 0 450.510 5.183 40 0 JKABRN CCCCC/C=C/C/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000017110314 556217289 /nfs/dbraw/zinc/21/72/89/556217289.db2.gz GSPPFJJUCULBDC-ARMWGUMGSA-N 0 0 473.745 9.209 40 0 JKABRN CCOC(=O)c1ccc(/N=c2/oc3ccccc3nc2Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000017111382 556217314 /nfs/dbraw/zinc/21/73/14/556217314.db2.gz MCFCZFXPKRONIU-ZZIIXHQDSA-N 0 0 457.486 5.157 40 0 JKABRN CCOc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccc(OC)c1OC ZINC000013026044 556217542 /nfs/dbraw/zinc/21/75/42/556217542.db2.gz VBYYGUIQCOBNIW-VWLOTQADSA-N 0 0 492.572 5.142 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)C)cc2)c1OC ZINC000013026046 556217577 /nfs/dbraw/zinc/21/75/77/556217577.db2.gz MLLFRGORTXECDJ-AREMUKBSSA-N 0 0 490.600 5.867 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)c1OC ZINC000013026084 556217847 /nfs/dbraw/zinc/21/78/47/556217847.db2.gz VRWINSDTHRJLFM-DEOSSOPVSA-N 0 0 462.546 5.052 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2C)c1OC ZINC000013026074 556217875 /nfs/dbraw/zinc/21/78/75/556217875.db2.gz VBZWZOOWLUASNU-RUZDIDTESA-N 0 0 476.573 5.361 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2C)c1OC ZINC000013026080 556217883 /nfs/dbraw/zinc/21/78/83/556217883.db2.gz LFHCSJBXULDCKY-VWLOTQADSA-N 0 0 476.573 5.361 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1OC ZINC000013026288 556218174 /nfs/dbraw/zinc/21/81/74/556218174.db2.gz GEVSUEAKUXPKBA-MHZLTWQESA-N 0 0 490.600 5.090 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2Cl)cc1OC ZINC000013026344 556218451 /nfs/dbraw/zinc/21/84/51/556218451.db2.gz QKKOJMZUAFCIDO-DEOSSOPVSA-N 0 0 482.964 5.397 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2Cl)cc1 ZINC000013026530 556218623 /nfs/dbraw/zinc/21/86/23/556218623.db2.gz JKJKCWRWAHCDAV-HSZRJFAPSA-N 0 0 452.938 5.389 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)C)cc2)cc1OC ZINC000013026458 556218646 /nfs/dbraw/zinc/21/86/46/556218646.db2.gz JNAFSBKAWWLRRA-MHZLTWQESA-N 0 0 490.600 5.867 40 0 JKABRN CCc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026460 556218748 /nfs/dbraw/zinc/21/87/48/556218748.db2.gz GPTRYBQYWDGCKN-AREMUKBSSA-N 0 0 476.573 5.306 40 0 JKABRN CCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026462 556218792 /nfs/dbraw/zinc/21/87/92/556218792.db2.gz GPTRYBQYWDGCKN-SANMLTNESA-N 0 0 476.573 5.306 40 0 JKABRN O=C1CCCCCCCCCC[C@@H]1Cc1cc(O)c(C[C@@H]2CCCCCCCCCCC2=O)cc1O ZINC000017119796 556218912 /nfs/dbraw/zinc/21/89/12/556218912.db2.gz DKLFWDNZZYPQLX-WMPKNSHKSA-N 0 0 498.748 8.383 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)cc1 ZINC000013026546 556218972 /nfs/dbraw/zinc/21/89/72/556218972.db2.gz ITZWWYYQXDNSNF-DEOSSOPVSA-N 0 0 450.510 5.183 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)cc1 ZINC000013026544 556219001 /nfs/dbraw/zinc/21/90/01/556219001.db2.gz ITZWWYYQXDNSNF-XMMPIXPASA-N 0 0 450.510 5.183 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2Cl)cc1 ZINC000013026531 556219016 /nfs/dbraw/zinc/21/90/16/556219016.db2.gz JKJKCWRWAHCDAV-QHCPKHFHSA-N 0 0 452.938 5.389 40 0 JKABRN CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 ZINC000013026737 556219209 /nfs/dbraw/zinc/21/92/09/556219209.db2.gz DVVHKUPOBJDLIZ-HHHXNRCGSA-N 0 0 488.584 5.621 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1 ZINC000013026821 556219511 /nfs/dbraw/zinc/21/95/11/556219511.db2.gz OSPGWFZLCYHSQX-SANMLTNESA-N 0 0 458.558 5.492 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026824 556219553 /nfs/dbraw/zinc/21/95/53/556219553.db2.gz YCAZNAWBMUYKRZ-AREMUKBSSA-N 0 0 476.573 5.306 40 0 JKABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c(OC)c1 ZINC000013026932 556219786 /nfs/dbraw/zinc/21/97/86/556219786.db2.gz WFHKHWVOJFSOQA-VWLOTQADSA-N 0 0 462.546 5.052 40 0 JKABRN CCOC(=O)COc1cc2c(cc1[C@@H](C)c1ccc(OCc3ccccc3)c(OC)c1)OCO2 ZINC000017139466 556224721 /nfs/dbraw/zinc/22/47/21/556224721.db2.gz NCJVOKQUPJADGH-SFHVURJKSA-N 0 0 464.514 5.097 40 0 JKABRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C/C(C)=C\C(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2 ZINC000017142382 556224790 /nfs/dbraw/zinc/22/47/90/556224790.db2.gz CQVUCZWJJURYFZ-FFBHZAPISA-N 0 0 471.685 8.731 40 0 JKABRN Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013030167 556225067 /nfs/dbraw/zinc/22/50/67/556225067.db2.gz PYKLFHQVVJLUBW-MUUNZHRXSA-N 0 0 499.590 5.021 40 0 JKABRN O=C(c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2cnc(-c3ccccc3)cc12)c1ccccc1 ZINC000025584446 556226431 /nfs/dbraw/zinc/22/64/31/556226431.db2.gz STAQKWPQOFPOAY-UHFFFAOYSA-N 0 0 478.551 7.130 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc2ccccc21 ZINC000013032475 556231424 /nfs/dbraw/zinc/23/14/24/556231424.db2.gz LVBMJCUTVAEIKL-HHHXNRCGSA-N 0 0 495.583 5.257 40 0 JKABRN CC(C)(C)[C@@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017221529 556242415 /nfs/dbraw/zinc/24/24/15/556242415.db2.gz ABGJUPJVFXHECK-NPWPFVJVSA-N 0 0 461.005 6.654 40 0 JKABRN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026111016 556242861 /nfs/dbraw/zinc/24/28/61/556242861.db2.gz ZGRLIAQNKWHPCX-UHFFFAOYSA-N 0 0 475.441 5.230 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCCC1 ZINC000026114566 556244984 /nfs/dbraw/zinc/24/49/84/556244984.db2.gz JNUQMQUHENNUJQ-UHFFFAOYSA-N 0 0 468.600 5.238 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCCCC1 ZINC000026116127 556246332 /nfs/dbraw/zinc/24/63/32/556246332.db2.gz MPTIOXOCHSUQDI-UHFFFAOYSA-N 0 0 496.654 5.414 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000026119161 556248276 /nfs/dbraw/zinc/24/82/76/556248276.db2.gz FGESPYQZIVCDKR-UHFFFAOYSA-N 0 0 473.447 5.388 40 0 JKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 ZINC000026118917 556248295 /nfs/dbraw/zinc/24/82/95/556248295.db2.gz ZKBASFHPAMLXGW-UHFFFAOYSA-N 0 0 460.665 5.206 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000026119211 556248315 /nfs/dbraw/zinc/24/83/15/556248315.db2.gz BRAYPEIDKFAQTA-UHFFFAOYSA-N 0 0 480.655 5.748 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026119156 556248327 /nfs/dbraw/zinc/24/83/27/556248327.db2.gz XFTLWENXXPLABZ-UHFFFAOYSA-N 0 0 473.447 5.388 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)N1CCCCCC1 ZINC000026120029 556248792 /nfs/dbraw/zinc/24/87/92/556248792.db2.gz AQTULRWIOPXKHT-UHFFFAOYSA-N 0 0 453.029 5.187 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1C(=O)N1CCCCCC1 ZINC000026120087 556248832 /nfs/dbraw/zinc/24/88/32/556248832.db2.gz YYDDKSSENKLGSB-UHFFFAOYSA-N 0 0 497.480 5.296 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000026120576 556249200 /nfs/dbraw/zinc/24/92/00/556249200.db2.gz YUXIKLUGMHTSBJ-UHFFFAOYSA-N 0 0 473.447 5.532 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1C(=O)N1CCCCCC1 ZINC000026120646 556249212 /nfs/dbraw/zinc/24/92/12/556249212.db2.gz XLGQUAWDNFRRAK-UHFFFAOYSA-N 0 0 462.637 5.013 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000026120631 556249232 /nfs/dbraw/zinc/24/92/32/556249232.db2.gz WTRUZWNJMJIUCR-UHFFFAOYSA-N 0 0 480.655 5.893 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000026124563 556249761 /nfs/dbraw/zinc/24/97/61/556249761.db2.gz KEVONRRWNBAPIX-ACCUITESSA-N 0 0 489.362 6.948 40 0 JKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc2c(Br)cccc12 ZINC000026124188 556249805 /nfs/dbraw/zinc/24/98/05/556249805.db2.gz DRLHSMUKJDEMHW-UHFFFAOYSA-N 0 0 457.331 5.897 40 0 JKABRN Cc1cc(C)c(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c(Cl)c1 ZINC000026124649 556249823 /nfs/dbraw/zinc/24/98/23/556249823.db2.gz JANWYMXNBXBTKX-UHFFFAOYSA-N 0 0 455.345 5.670 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1sc2ccccc2c1Cl ZINC000026124502 556249856 /nfs/dbraw/zinc/24/98/56/556249856.db2.gz OYDZBJFQNSFOPH-UHFFFAOYSA-N 0 0 453.354 6.503 40 0 JKABRN COc1c(Cl)cc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1Cl ZINC000026124352 556249871 /nfs/dbraw/zinc/24/98/71/556249871.db2.gz YJCPNORPGLCGKS-UHFFFAOYSA-N 0 0 461.736 5.950 40 0 JKABRN CCOC(=O)c1c(NC(=O)C23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)sc2c1CCCC2 ZINC000017297486 556253041 /nfs/dbraw/zinc/25/30/41/556253041.db2.gz XMBJXZAQNNQQFD-NAZSJPOASA-N 0 0 466.441 5.476 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000026399201 556253116 /nfs/dbraw/zinc/25/31/16/556253116.db2.gz YJFOYGVIUFDYSD-UHFFFAOYSA-N 0 0 461.798 5.382 40 0 JKABRN CC(C)(C)n1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000026439142 556253753 /nfs/dbraw/zinc/25/37/53/556253753.db2.gz YNHWSBATNPTUPW-JOCHJYFZSA-N 0 0 487.501 5.971 40 0 JKABRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000026506547 556255440 /nfs/dbraw/zinc/25/54/40/556255440.db2.gz BINLELMUDDSUBM-UHFFFAOYSA-N 0 0 456.354 5.423 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N2C(=N1)SC[C@]2(O)N(c1ccccc1)C(C)C ZINC000026570637 556257021 /nfs/dbraw/zinc/25/70/21/556257021.db2.gz AECAFTBYXLTOEZ-UHSQPCAPSA-N 0 0 498.652 5.620 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N=C(SCC(=O)c2ccc(F)cc2F)N1 ZINC000026570645 556257173 /nfs/dbraw/zinc/25/71/73/556257173.db2.gz KVYICKIQVYNMBI-XMMPIXPASA-N 0 0 477.536 5.494 40 0 JKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1C ZINC000026770801 556260562 /nfs/dbraw/zinc/26/05/62/556260562.db2.gz XMPBQBAXJCLYRC-DEOSSOPVSA-N 0 0 480.555 7.838 40 0 JKABRN CC(=O)Nc1ccc(N[C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000026770774 556260605 /nfs/dbraw/zinc/26/06/05/556260605.db2.gz PLLHMWIKNINYOH-SANMLTNESA-N 0 0 469.610 6.777 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN([C@@H](CC)c3nnnn3C3CCCCC3)C3CCCC3)cc2c1 ZINC000013063665 556260695 /nfs/dbraw/zinc/26/06/95/556260695.db2.gz ACSHGXNXWCWNLU-VWLOTQADSA-N 0 0 462.642 5.478 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN([C@@H](CC)c3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000013063694 556260809 /nfs/dbraw/zinc/26/08/09/556260809.db2.gz DMNMZNGVMOIVSS-SANMLTNESA-N 0 0 470.621 5.021 40 0 JKABRN COc1ccc([C@@H](Nc2ccccc2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1OC ZINC000026770867 556260873 /nfs/dbraw/zinc/26/08/73/556260873.db2.gz IXSVFFNOQNRHQC-AREMUKBSSA-N 0 0 472.610 6.836 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063801 556261195 /nfs/dbraw/zinc/26/11/95/556261195.db2.gz XACPBDNVFLNUOG-VWLOTQADSA-N 0 0 472.637 5.164 40 0 JKABRN CCCOP(=O)(OCCC)[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000026780100 556262092 /nfs/dbraw/zinc/26/20/92/556262092.db2.gz HRYOIBAJDKGZJK-LJQANCHMSA-N 0 0 458.417 6.572 40 0 JKABRN CCCOP(=O)(OCCC)[C@H](NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000026779849 556262195 /nfs/dbraw/zinc/26/21/95/556262195.db2.gz RQHNDOWWRNWYLP-FQEVSTJZSA-N 0 0 454.301 5.924 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064648 556262389 /nfs/dbraw/zinc/26/23/89/556262389.db2.gz SRENEUMAFPSUGO-AREMUKBSSA-N 0 0 470.621 5.076 40 0 JKABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064732 556262748 /nfs/dbraw/zinc/26/27/48/556262748.db2.gz TZZAYUZWOQGQRH-HHHXNRCGSA-N 0 0 484.648 5.270 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064849 556262897 /nfs/dbraw/zinc/26/28/97/556262897.db2.gz ZFJWQPXTSHODQF-VWLOTQADSA-N 0 0 462.642 5.533 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065053 556263256 /nfs/dbraw/zinc/26/32/56/556263256.db2.gz OOTLNOFTGHGYMU-DEOSSOPVSA-N 0 0 462.642 5.533 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064950 556263265 /nfs/dbraw/zinc/26/32/65/556263265.db2.gz KUUGSWMBRKWKNL-AREMUKBSSA-N 0 0 488.611 5.215 40 0 JKABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064951 556263411 /nfs/dbraw/zinc/26/34/11/556263411.db2.gz KUUGSWMBRKWKNL-SANMLTNESA-N 0 0 488.611 5.215 40 0 JKABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065069 556263630 /nfs/dbraw/zinc/26/36/30/556263630.db2.gz OGWPLANFLBSNBT-VWLOTQADSA-N 0 0 470.621 5.076 40 0 JKABRN COc1ccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)cc1 ZINC000013065320 556263701 /nfs/dbraw/zinc/26/37/01/556263701.db2.gz QNTJFHGWEJUKMO-KRWDZBQOSA-N 0 0 466.672 6.703 40 0 JKABRN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2C(F)(F)F)n1)CC[C@H](C)C3 ZINC000013065313 556263820 /nfs/dbraw/zinc/26/38/20/556263820.db2.gz WHWXEWBOUOCFLE-NSHDSACASA-N 0 0 451.539 5.874 40 0 JKABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065146 556263856 /nfs/dbraw/zinc/26/38/56/556263856.db2.gz UQMJLWGDKIFMAT-AREMUKBSSA-N 0 0 484.648 5.270 40 0 JKABRN C[C@@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000013065326 556264049 /nfs/dbraw/zinc/26/40/49/556264049.db2.gz QUXZZBGMEDFFCX-NVXWUHKLSA-N 0 0 457.709 6.213 40 0 JKABRN C[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@H](C(C)(C)C)C3 ZINC000013065325 556264058 /nfs/dbraw/zinc/26/40/58/556264058.db2.gz QUXZZBGMEDFFCX-RDJZCZTQSA-N 0 0 457.709 6.213 40 0 JKABRN C[C@H]1CCCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)C1 ZINC000013065331 556264133 /nfs/dbraw/zinc/26/41/33/556264133.db2.gz BGUOSZZVBHJMHD-DOTOQJQBSA-N 0 0 457.709 6.070 40 0 JKABRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c(C(C)C)c1 ZINC000026844273 556264793 /nfs/dbraw/zinc/26/47/93/556264793.db2.gz NIHWDGGIFHDZDD-UHFFFAOYSA-N 0 0 497.532 6.875 40 0 JKABRN CC(C)n1c(/C=C/[C@@H](O)C[C@H](O)CC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)c2ccccc21 ZINC000026892489 556265532 /nfs/dbraw/zinc/26/55/32/556265532.db2.gz USGKHYXJISAYPE-PPXNOBOXSA-N 0 0 467.581 5.885 40 0 JKABRN CC[C@H](C)c1ccc(-n2c3nn(CN(C)Cc4ccc(C)cc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070156 556267393 /nfs/dbraw/zinc/26/73/93/556267393.db2.gz KFZDHMVAOGDTKG-NRFANRHFSA-N 0 0 497.668 6.081 40 0 JKABRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017824289 556267598 /nfs/dbraw/zinc/26/75/98/556267598.db2.gz LWODHHPUMNDSQK-FKBYEOEOSA-N 0 0 453.325 5.353 40 0 JKABRN CC[C@@H](C)c1ccc(-n2c3nn(CN(C)Cc4ccccc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070694 556268026 /nfs/dbraw/zinc/26/80/26/556268026.db2.gz LJXSSDBPTHNSNP-HXUWFJFHSA-N 0 0 483.641 5.772 40 0 JKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5nc6cc(Cl)c(C)cc6s5)(C4)C2)C3)cc1 ZINC000017837580 556268375 /nfs/dbraw/zinc/26/83/75/556268375.db2.gz QIPPEQJELMNTSI-LJQDGHHOSA-N 0 0 451.035 7.043 40 0 JKABRN CCc1ccc(-n2c3nn(CN4CCC[C@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013073421 556273145 /nfs/dbraw/zinc/27/31/45/556273145.db2.gz DLSIUUOBBCUDPG-OFNKIYASSA-N 0 0 473.646 5.344 40 0 JKABRN COc1ccc(CCN2C(=O)CS[C@@H]2c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC ZINC000027061529 556273153 /nfs/dbraw/zinc/27/31/53/556273153.db2.gz XSBSHKSPVPDVRF-HSZRJFAPSA-N 0 0 478.397 6.087 40 0 JKABRN O=C(Nc1s/c(=N\c2ccccc2)n(CCc2ccccc2)c1-c1ccccc1)c1ccco1 ZINC000027061968 556273432 /nfs/dbraw/zinc/27/34/32/556273432.db2.gz QTYMGQLGPFUWFF-ZIADKAODSA-N 0 0 465.578 6.537 40 0 JKABRN Cc1[nH]c2ccccc2c1[C@H]1c2c(O)n(-c3cccc(Cl)c3C)c(O)c2ON1c1ccccc1 ZINC000017970547 556273842 /nfs/dbraw/zinc/27/38/42/556273842.db2.gz XIHVMRAZUQUDDW-SDHOMARFSA-N 0 0 471.944 5.489 40 0 JKABRN Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC[C@H](c5ccccc5)C[C@@H]4C3=O)c2)cc1C ZINC000017988805 556274329 /nfs/dbraw/zinc/27/43/29/556274329.db2.gz KAEGWTLQBQGRIQ-MZBJOSPHSA-N 0 0 453.538 5.596 40 0 JKABRN COc1ccc(OCC(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000027136776 556274366 /nfs/dbraw/zinc/27/43/66/556274366.db2.gz CJBCZOKXNBRTCG-UHFFFAOYSA-N 0 0 467.934 5.049 40 0 JKABRN COc1cc(/C=C2\N=C(C34C[C@H]5C[C@H](CC(Cl)(C5)C3)C4)OC2=O)cc(OC)c1OC(F)F ZINC000017994795 556275014 /nfs/dbraw/zinc/27/50/14/556275014.db2.gz ZMCDPTPIPPSYCW-NMKFTDCDSA-N 0 0 467.896 5.179 40 0 JKABRN O=C(c1cc2sccc2n1Cc1ccccc1)N(Cc1ccc2c(c1)OCO2)C[C@H]1CC=CCC1 ZINC000013083063 556278701 /nfs/dbraw/zinc/27/87/01/556278701.db2.gz PSWHHKPMLWVUSM-NRFANRHFSA-N 0 0 484.621 6.479 40 0 JKABRN COc1ccc(CN(Cc2ccccc2C)C(=O)c2cc3sccc3n2Cc2ccccc2)cc1 ZINC000013083066 556278707 /nfs/dbraw/zinc/27/87/07/556278707.db2.gz BAIUGNKCQNGAAY-UHFFFAOYSA-N 0 0 480.633 6.911 40 0 JKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000013083096 556278739 /nfs/dbraw/zinc/27/87/39/556278739.db2.gz OXOZXVIFDMJFGT-UHFFFAOYSA-N 0 0 452.860 6.815 40 0 JKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3sccc3n2Cc2ccccc2)CC1 ZINC000013083054 556278794 /nfs/dbraw/zinc/27/87/94/556278794.db2.gz NCEKLRLYHHRZGK-UHFFFAOYSA-N 0 0 450.007 5.675 40 0 JKABRN CCCC(CCC)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000018050996 556280642 /nfs/dbraw/zinc/28/06/42/556280642.db2.gz VKZFFKSUTLXZOP-UHFFFAOYSA-N 0 0 456.542 6.434 40 0 JKABRN Cc1cc(C)c(C)c(C(=O)CSc2nnc3n(Cc4ccc(F)cc4)c4ccccc4n23)c1C ZINC000013084113 556281357 /nfs/dbraw/zinc/28/13/57/556281357.db2.gz CGNBYBWZYIZGGN-UHFFFAOYSA-N 0 0 472.589 6.080 40 0 JKABRN O=C(CSc1nnc2n(Cc3c(F)cccc3Cl)c3ccccc3n12)N1CCc2ccccc21 ZINC000013084171 556281665 /nfs/dbraw/zinc/28/16/65/556281665.db2.gz XLGGNCPXBBVJRW-UHFFFAOYSA-N 0 0 491.979 5.206 40 0 JKABRN COc1cccc(C(=O)CSc2nnc3n(Cc4c(F)cccc4Cl)c4ccccc4n23)c1 ZINC000013084186 556281733 /nfs/dbraw/zinc/28/17/33/556281733.db2.gz KFBYEJFAWHSYHQ-UHFFFAOYSA-N 0 0 480.952 5.508 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1sc(C)nc1C)c1ccc(C)cc1 ZINC000013084480 556282021 /nfs/dbraw/zinc/28/20/21/556282021.db2.gz PCWAJVVIRWHTMN-OAQYLSRUSA-N 0 0 450.608 5.156 40 0 JKABRN CC(=O)c1ccc(-c2coc(-c3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC(C)(C)C)cc3)c2)cc1 ZINC000027515764 556282127 /nfs/dbraw/zinc/28/21/27/556282127.db2.gz XDEHZBPYEZKSSO-VWLOTQADSA-N 0 0 472.541 5.786 40 0 JKABRN O=C(CSc1nnc2c3ccccc3nc(C3CCCCC3)n12)Nc1ccc(Cl)cc1 ZINC000013086071 556285554 /nfs/dbraw/zinc/28/55/54/556285554.db2.gz FZXXYUZWBNSAFZ-UHFFFAOYSA-N 0 0 451.983 5.709 40 0 JKABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 ZINC000013086442 556286148 /nfs/dbraw/zinc/28/61/48/556286148.db2.gz UFPDCIMVZSGTSZ-UHFFFAOYSA-N 0 0 494.598 5.105 40 0 JKABRN Cc1cc2nc(-c3ccc(SCC(=O)N4c5ccccc5CCc5ccccc54)nc3)[nH]c2cc1C ZINC000013086542 556286185 /nfs/dbraw/zinc/28/61/85/556286185.db2.gz HIYOOEGJIDKOAE-UHFFFAOYSA-N 0 0 490.632 6.797 40 0 JKABRN CCOC(=O)c1cc(OC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)cc(C(=O)OCC)c1 ZINC000018089466 556286261 /nfs/dbraw/zinc/28/62/61/556286261.db2.gz RALOPXWWFVRHLD-NYRSABAFSA-N 0 0 493.394 5.069 40 0 JKABRN COc1ccc(CN(C(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)c2ccc(F)cc2)cc1 ZINC000013086546 556286509 /nfs/dbraw/zinc/28/65/09/556286509.db2.gz BENYZDAWPKCTIA-UHFFFAOYSA-N 0 0 498.583 6.098 40 0 JKABRN Cc1cccc(C)c1NS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)Nc1c(C)cccc1C ZINC000027529488 556290573 /nfs/dbraw/zinc/29/05/73/556290573.db2.gz OVLOKVKJZPDNOO-UHFFFAOYSA-N 0 0 494.638 5.675 40 0 JKABRN O=[P@](O[C@H](c1ccccc1)C(F)(F)F)(O[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000018127902 556291826 /nfs/dbraw/zinc/29/18/26/556291826.db2.gz KOHHXEABFXHNTG-CPLHUZOFSA-N 0 0 474.337 7.145 40 0 JKABRN COc1cccc(CC(=O)OCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)c1 ZINC000013097027 556292700 /nfs/dbraw/zinc/29/27/00/556292700.db2.gz WGNFHYMJXSCACE-WBIMHIKKSA-N 0 0 494.591 5.604 40 0 JKABRN CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018141421 556293095 /nfs/dbraw/zinc/29/30/95/556293095.db2.gz BTIOOIGGHNJAGI-FSSWDIPSSA-N 0 0 450.947 5.113 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(C)cc3C)C2=O)cc1 ZINC000018142352 556293203 /nfs/dbraw/zinc/29/32/03/556293203.db2.gz YLBGUIGLMBCHGJ-CYXNTTPDSA-N 0 0 456.542 5.143 40 0 JKABRN CCc1ccc(NC(=O)c2ccccc2NC(=O)C23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 ZINC000018155669 556295586 /nfs/dbraw/zinc/29/55/86/556295586.db2.gz ACHWSZYRHIUQLS-GBXBDOIYSA-N 0 0 481.434 6.174 40 0 JKABRN Cc1cc(C)c(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000018188481 556300375 /nfs/dbraw/zinc/30/03/75/556300375.db2.gz JFEJDPZSSDQMOB-NHTMILBNSA-N 0 0 491.385 5.425 40 0 JKABRN Cc1cccc(OCCCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000027789055 556306988 /nfs/dbraw/zinc/30/69/88/556306988.db2.gz BZAOOSYYGFTQAB-DEOSSOPVSA-N 0 0 467.613 6.423 40 0 JKABRN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 ZINC000027792745 556307255 /nfs/dbraw/zinc/30/72/55/556307255.db2.gz NTWJXOYMGOJCNQ-HSZRJFAPSA-N 0 0 453.586 5.869 40 0 JKABRN COc1ccc(N2C(=O)[C@H]3[C@@H](c4[nH]c5c(cccc5C)c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]34)C2=O)cc1 ZINC000018202421 556309338 /nfs/dbraw/zinc/30/93/38/556309338.db2.gz NDBYGEVBXBDENB-UQUNTIQFSA-N 0 0 470.613 6.318 40 0 JKABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)CSc1nc(-c3cccs3)cc(C(F)(F)F)n1)C2 ZINC000018210347 556310809 /nfs/dbraw/zinc/31/08/09/556310809.db2.gz BZRJJPZWAKZLLQ-ZUOKHONESA-N 0 0 455.571 5.743 40 0 JKABRN CCO[P@@](=O)(/C(NC(=O)c1ccccc1)=C(/Cl)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000028120131 556316041 /nfs/dbraw/zinc/31/60/41/556316041.db2.gz NOZZBXWXLAHCBJ-HOQCJHPKSA-N 0 0 492.364 6.868 40 0 JKABRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21 ZINC000028206642 556317281 /nfs/dbraw/zinc/31/72/81/556317281.db2.gz RXIDTOMQNMVWDQ-UHFFFAOYSA-N 0 0 482.605 5.281 40 0 JKABRN C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc2N1C(=O)c1ccccc1 ZINC000028206947 556317720 /nfs/dbraw/zinc/31/77/20/556317720.db2.gz XTSOOJQLYJQHLX-AWEZNQCLSA-N 0 0 461.370 5.386 40 0 JKABRN CCCCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000018269706 556317965 /nfs/dbraw/zinc/31/79/65/556317965.db2.gz ICRGNQKDFKXDEH-SALAOISXSA-N 0 0 451.566 6.042 40 0 JKABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000028208193 556318600 /nfs/dbraw/zinc/31/86/00/556318600.db2.gz WDJAQHDVQQPUKB-UHFFFAOYSA-N 0 0 488.993 5.180 40 0 JKABRN O=C(NCc1ccccc1Cl)NC[C@@H]1CCC[C@H](CNC(=O)NCc2ccccc2Cl)C1 ZINC000018283170 556318634 /nfs/dbraw/zinc/31/86/34/556318634.db2.gz RGVUGXYPCUPQHI-HDICACEKSA-N 0 0 477.436 5.098 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccc(Br)cc1 ZINC000028208732 556319201 /nfs/dbraw/zinc/31/92/01/556319201.db2.gz QYIWXRRDOBDZRU-UHFFFAOYSA-N 0 0 499.430 5.162 40 0 JKABRN Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1Cl ZINC000028208742 556319221 /nfs/dbraw/zinc/31/92/21/556319221.db2.gz NVUHUWVMSCRWMX-UHFFFAOYSA-N 0 0 469.006 5.361 40 0 JKABRN C[C@@H](NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1)c1ccccc1 ZINC000028209049 556319766 /nfs/dbraw/zinc/31/97/66/556319766.db2.gz CAPGLBSGXCNNFY-MRXNPFEDSA-N 0 0 468.575 5.357 40 0 JKABRN CCc1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)cc1 ZINC000028209087 556319777 /nfs/dbraw/zinc/31/97/77/556319777.db2.gz BDHGBESOAGUABD-UHFFFAOYSA-N 0 0 468.575 5.680 40 0 JKABRN Cc1cccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)c1 ZINC000028209067 556319792 /nfs/dbraw/zinc/31/97/92/556319792.db2.gz ZMEKFMFWYMGFAE-UHFFFAOYSA-N 0 0 454.548 5.426 40 0 JKABRN C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209200 556320071 /nfs/dbraw/zinc/32/00/71/556320071.db2.gz PHUQXLYWTIRHHH-GOSISDBHSA-N 0 0 496.629 5.617 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccc(Cl)cc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209295 556320390 /nfs/dbraw/zinc/32/03/90/556320390.db2.gz MKECTNMNGUWZIO-UHFFFAOYSA-N 0 0 499.057 6.721 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3cccc(Cl)c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209294 556320441 /nfs/dbraw/zinc/32/04/41/556320441.db2.gz RGPMKYBDSMISST-UHFFFAOYSA-N 0 0 499.057 6.721 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3cccc(OC)c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209307 556320493 /nfs/dbraw/zinc/32/04/93/556320493.db2.gz VTPYLIRDIGFPIJ-UHFFFAOYSA-N 0 0 494.638 6.076 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3cccc(C)c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209263 556320552 /nfs/dbraw/zinc/32/05/52/556320552.db2.gz LWXOVFWOYTVCLW-UHFFFAOYSA-N 0 0 478.639 6.376 40 0 JKABRN CCCCCNC(=O)c1cc2cc(N(CCC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000028209352 556320684 /nfs/dbraw/zinc/32/06/84/556320684.db2.gz FLUZLVOUEHIJGH-UHFFFAOYSA-N 0 0 458.649 5.735 40 0 JKABRN Cc1nc(-c2cccnc2)sc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000028210385 556321426 /nfs/dbraw/zinc/32/14/26/556321426.db2.gz YAZRCYOZUDKQHW-UHFFFAOYSA-N 0 0 454.599 5.061 40 0 JKABRN CCc1cccc(CC)c1/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCO1 ZINC000013117127 556325504 /nfs/dbraw/zinc/32/55/04/556325504.db2.gz BZMXDTLODVJQAB-ZUSALWDXSA-N 0 0 482.646 5.779 40 0 JKABRN CCCOc1ccc(-c2csc(NC(=O)COc3ccccc3C(C)C)c2C(=O)OC)cc1 ZINC000028284602 556327196 /nfs/dbraw/zinc/32/71/96/556327196.db2.gz GQXKGZSBUGBQBE-UHFFFAOYSA-N 0 0 467.587 6.131 40 0 JKABRN CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCC(C)CC3)no2)cc1 ZINC000028296157 556330639 /nfs/dbraw/zinc/33/06/39/556330639.db2.gz PPBOCDNPBUZFRM-QHCPKHFHSA-N 0 0 451.567 5.172 40 0 JKABRN Clc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000019117358 556331292 /nfs/dbraw/zinc/33/12/92/556331292.db2.gz RYJJBFHNZBDHPB-MHZLTWQESA-N 0 0 453.929 6.456 40 0 JKABRN COc1ccc(-c2cc(C)nc(SC(C(=O)Nc3ccccc3)C(=O)Nc3ccccc3)n2)cc1 ZINC000019141785 556331651 /nfs/dbraw/zinc/33/16/51/556331651.db2.gz NQZXXJRFCGFRRA-UHFFFAOYSA-N 0 0 484.581 5.199 40 0 JKABRN CCN(CC)C(=S)S[C@@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 ZINC000019202396 556333986 /nfs/dbraw/zinc/33/39/86/556333986.db2.gz ZNYNAFPXZUUXLD-RTBURBONSA-N 0 0 450.423 5.494 40 0 JKABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3cccs3)Cc3ccccc3)cc2c1 ZINC000019220718 556334599 /nfs/dbraw/zinc/33/45/99/556334599.db2.gz SBVPGLROYMXKAY-VWLOTQADSA-N 0 0 498.656 5.431 40 0 JKABRN COc1ccc(-c2nc3n(C(=S)Nc4ccccc4)c(-c4ccc(C)cc4)c4n3c2CCCC4)cc1 ZINC000028527574 556334849 /nfs/dbraw/zinc/33/48/49/556334849.db2.gz RDYBVCOGTPGODJ-UHFFFAOYSA-N 0 0 492.648 6.911 40 0 JKABRN Cc1c(Cl)cccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028527596 556334958 /nfs/dbraw/zinc/33/49/58/556334958.db2.gz RPXCKBDZHMOBQR-UHFFFAOYSA-N 0 0 478.811 6.512 40 0 JKABRN COc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1OC ZINC000028535416 556335182 /nfs/dbraw/zinc/33/51/82/556335182.db2.gz QJINNXKCUNEHIY-UHFFFAOYSA-N 0 0 484.339 5.488 40 0 JKABRN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000028540183 556335636 /nfs/dbraw/zinc/33/56/36/556335636.db2.gz 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COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2OC)cc1 ZINC000028941677 556344497 /nfs/dbraw/zinc/34/44/97/556344497.db2.gz AOWWHCHGTSSSSX-SFQUDFHCSA-N 0 0 497.334 5.775 40 0 JKABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N(CC)Cc3ccccc3)cc2c1 ZINC000019522963 556351046 /nfs/dbraw/zinc/35/10/46/556351046.db2.gz FYTROPUAMZBYEV-AREMUKBSSA-N 0 0 470.621 5.194 40 0 JKABRN COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000019690518 556360331 /nfs/dbraw/zinc/36/03/31/556360331.db2.gz RAVQPFZZMHRJCO-UHFFFAOYSA-N 0 0 482.380 6.237 40 0 JKABRN COC(=O)[C@H]1SC(c2ccccc2)=C(c2ccccc2)[C@@H]2C1C(=O)C(=O)N2c1ccc(OC)cc1 ZINC000019691720 556360616 /nfs/dbraw/zinc/36/06/16/556360616.db2.gz ODGADODKEQKLQK-BVAGGSTKSA-N 0 0 485.561 5.079 40 0 JKABRN COC(=O)[C@@H]1SC(c2ccccc2)=C(c2ccccc2)[C@@H]2C1C(=O)C(=O)N2c1ccc(OC)cc1 ZINC000019691718 556360727 /nfs/dbraw/zinc/36/07/27/556360727.db2.gz ODGADODKEQKLQK-ZEQKJWHPSA-N 0 0 485.561 5.079 40 0 JKABRN 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569602299 /nfs/dbraw/zinc/60/22/99/569602299.db2.gz UASHCYSGYQLYPW-UHFFFAOYSA-N 0 0 459.649 5.441 40 0 JKABRN Cc1cc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)ccc1Cl ZINC000057315615 569597106 /nfs/dbraw/zinc/59/71/06/569597106.db2.gz FYYCHGUGWLXNBW-UHFFFAOYSA-N 0 0 465.402 6.062 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc1 ZINC000057315832 569597251 /nfs/dbraw/zinc/59/72/51/569597251.db2.gz KMROHPPGAIEKSX-UHFFFAOYSA-N 0 0 459.011 6.514 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(OC)c1 ZINC000057316015 569597304 /nfs/dbraw/zinc/59/73/04/569597304.db2.gz MLNCNINRFKCAPE-UHFFFAOYSA-N 0 0 467.934 5.292 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=S)NC(=O)C=Cc2ccco2)c1Cl ZINC000057315919 569597321 /nfs/dbraw/zinc/59/73/21/569597321.db2.gz OPPLEFPDLNPDML-MDZDMXLPSA-N 0 0 461.996 5.202 40 0 JKABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)ccc1NC(=O)c1ccccc1 ZINC000057315910 569597328 /nfs/dbraw/zinc/59/73/28/569597328.db2.gz IOOVYFZQMVGALP-SAPNQHFASA-N 0 0 481.577 6.034 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c(OC)c1 ZINC000057315963 569597386 /nfs/dbraw/zinc/59/73/86/569597386.db2.gz ICMFDVDVNMNGPB-UHFFFAOYSA-N 0 0 481.961 5.601 40 0 JKABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nn12 ZINC000057316054 569597448 /nfs/dbraw/zinc/59/74/48/569597448.db2.gz MUKUTYQNVFOKGJ-UHFFFAOYSA-N 0 0 470.341 5.980 40 0 JKABRN CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc5nsnc5c4)c3)nc2c1 ZINC000057316174 569597461 /nfs/dbraw/zinc/59/74/61/569597461.db2.gz MEGDWFATGRZPPR-UHFFFAOYSA-N 0 0 473.583 5.750 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c(OC)c1 ZINC000057316115 569597510 /nfs/dbraw/zinc/59/75/10/569597510.db2.gz CATNOJIDKLJBKL-UHFFFAOYSA-N 0 0 461.543 5.256 40 0 JKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 ZINC000057316213 569597570 /nfs/dbraw/zinc/59/75/70/569597570.db2.gz XGEKHZUXZBOGNV-UHFFFAOYSA-N 0 0 489.999 7.207 40 0 JKABRN Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1 ZINC000057316229 569597580 /nfs/dbraw/zinc/59/75/80/569597580.db2.gz YBXYILKUVSLPDN-UHFFFAOYSA-N 0 0 463.784 5.475 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 ZINC000057316542 569597952 /nfs/dbraw/zinc/59/79/52/569597952.db2.gz GLTJNMGNUCBHLJ-OVCLIPMQSA-N 0 0 492.689 5.031 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3sc4c(c3C(N)=O)CCC4)o2)cc1Cl ZINC000057316637 569598055 /nfs/dbraw/zinc/59/80/55/569598055.db2.gz FIGPGTHWOBJUSZ-CSKARUKUSA-N 0 0 486.018 5.084 40 0 JKABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)c3)nn12 ZINC000057316919 569598122 /nfs/dbraw/zinc/59/81/22/569598122.db2.gz NAAQTVWEDQVFHP-UHFFFAOYSA-N 0 0 484.368 6.234 40 0 JKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1I ZINC000057317050 569598231 /nfs/dbraw/zinc/59/82/31/569598231.db2.gz UFNBAOHZUZAZPA-UHFFFAOYSA-N 0 0 482.115 5.244 40 0 JKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc(I)c1 ZINC000057317010 569598263 /nfs/dbraw/zinc/59/82/63/569598263.db2.gz NSAYSJGIRBGZBC-UHFFFAOYSA-N 0 0 482.115 5.244 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317092 569598349 /nfs/dbraw/zinc/59/83/49/569598349.db2.gz KCDVKAAUUOHDMM-UHFFFAOYSA-N 0 0 493.195 5.945 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NCc3ccc(-c4ccc(Br)cc4)o3)o2)cc1Cl ZINC000057317085 569598362 /nfs/dbraw/zinc/59/83/62/569598362.db2.gz LRMCATNCITYVTC-JLHYYAGUSA-N 0 0 496.788 7.261 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 ZINC000057317114 569598378 /nfs/dbraw/zinc/59/83/78/569598378.db2.gz XVWGXPDFRAZNHS-UHFFFAOYSA-N 0 0 465.981 5.547 40 0 JKABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)CC2)cc1 ZINC000057317183 569598474 /nfs/dbraw/zinc/59/84/74/569598474.db2.gz LDYKGCPAZWRKDE-UHFFFAOYSA-N 0 0 499.998 5.717 40 0 JKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)c1 ZINC000057317224 569598492 /nfs/dbraw/zinc/59/84/92/569598492.db2.gz CCWVJGFJDNGVEA-NRFANRHFSA-N 0 0 487.600 5.087 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317311 569598566 /nfs/dbraw/zinc/59/85/66/569598566.db2.gz NUCNTWIGHOFRHL-DUXPYHPUSA-N 0 0 467.677 5.565 40 0 JKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317328 569598614 /nfs/dbraw/zinc/59/86/14/569598614.db2.gz WJHMKBVFPJUKNI-UHFFFAOYSA-N 0 0 465.274 5.056 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317316 569598624 /nfs/dbraw/zinc/59/86/24/569598624.db2.gz VGXXOTRCLPOGNW-SOFGYWHQSA-N 0 0 499.291 6.172 40 0 JKABRN O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057328365 569598769 /nfs/dbraw/zinc/59/87/69/569598769.db2.gz SOLGBZXQRGAXNI-FYWRMAATSA-N 0 0 480.549 5.354 40 0 JKABRN O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)C(c1ccccc1)c1ccccc1 ZINC000057328006 569598845 /nfs/dbraw/zinc/59/88/45/569598845.db2.gz UTQYRFRJRAHLSC-UHFFFAOYSA-N 0 0 478.577 5.213 40 0 JKABRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057333617 569598960 /nfs/dbraw/zinc/59/89/60/569598960.db2.gz DXTKRHDKYZDSDM-ACCUITESSA-N 0 0 490.346 6.786 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057333635 569598971 /nfs/dbraw/zinc/59/89/71/569598971.db2.gz BPBKJNFSOLLGHA-CMDGGOBGSA-N 0 0 454.313 5.535 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000057335601 569599058 /nfs/dbraw/zinc/59/90/58/569599058.db2.gz DAXHYVJSXOOILH-UHFFFAOYSA-N 0 0 483.341 5.427 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1Cl ZINC000057333678 569599124 /nfs/dbraw/zinc/59/91/24/569599124.db2.gz IUDKASQZGUEBKF-UHFFFAOYSA-N 0 0 490.774 6.162 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)[C@H]4CC(=O)N(C5CCCCC5)C4)ccc3o2)cc1Cl ZINC000057351149 569599139 /nfs/dbraw/zinc/59/91/39/569599139.db2.gz GXQINPMGMDCYRN-KRWDZBQOSA-N 0 0 451.954 5.576 40 0 JKABRN Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 ZINC000059109408 569602335 /nfs/dbraw/zinc/60/23/35/569602335.db2.gz JBFDNLDPDOPFTC-UHFFFAOYSA-N 0 0 453.258 5.404 40 0 JKABRN Cc1cccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)c1C ZINC000059109407 569602336 /nfs/dbraw/zinc/60/23/36/569602336.db2.gz GVCLTVGEGJSSMR-UHFFFAOYSA-N 0 0 453.258 5.404 40 0 JKABRN COc1cc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc(OC)c1OC ZINC000059294162 569602476 /nfs/dbraw/zinc/60/24/76/569602476.db2.gz FTEJNLUXWGNIHP-UHFFFAOYSA-N 0 0 476.982 5.361 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000059294383 569602491 /nfs/dbraw/zinc/60/24/91/569602491.db2.gz ZGONTTYFLLUZIU-NTCAYCPXSA-N 0 0 499.979 6.935 40 0 JKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1Cl ZINC000059294330 569602520 /nfs/dbraw/zinc/60/25/20/569602520.db2.gz QEESIRCUVLEDBK-UHFFFAOYSA-N 0 0 478.357 5.283 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2C)c1 ZINC000059294296 569602536 /nfs/dbraw/zinc/60/25/36/569602536.db2.gz QBYTWSWCFSYVMF-UHFFFAOYSA-N 0 0 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ZINC000059418228 569603063 /nfs/dbraw/zinc/60/30/63/569603063.db2.gz HJKAQNRWMUEFEG-SRZZPIQSSA-N 0 0 474.340 6.952 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000059418229 569603100 /nfs/dbraw/zinc/60/31/00/569603100.db2.gz NHQQRCQLGQXIPA-SRZZPIQSSA-N 0 0 474.340 6.952 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000059418212 569603106 /nfs/dbraw/zinc/60/31/06/569603106.db2.gz JWYAEDGTHRBSLD-YDZHTSKRSA-N 0 0 483.948 6.698 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000059418210 569603110 /nfs/dbraw/zinc/60/31/10/569603110.db2.gz QUYZSJXNMSKIOY-WSDLNYQXSA-N 0 0 469.921 6.308 40 0 JKABRN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Br)c1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418726 569603535 /nfs/dbraw/zinc/60/35/35/569603535.db2.gz ZZUKYHUZOJKSIT-YQORSWRPSA-N 0 0 464.746 5.196 40 0 JKABRN CCOc1ccc(Nc2nc(Nc3ccc(OCC)cc3)nc(Sc3nccn3C)n2)cc1 ZINC000059431854 569603648 /nfs/dbraw/zinc/60/36/48/569603648.db2.gz 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CC(C)c1ccc2oc(-c3ccc(NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3)nc2c1 ZINC000035106925 569674985 /nfs/dbraw/zinc/67/49/85/569674985.db2.gz TYOJGKVJSOLKGW-UHFFFAOYSA-N 0 0 481.404 8.392 40 0 JKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OCc1ccccc1 ZINC000035124878 569675113 /nfs/dbraw/zinc/67/51/13/569675113.db2.gz IWAHJWQUANHDAJ-UHFFFAOYSA-N 0 0 450.749 6.877 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(-c4nc5ccccc5o4)c3C)o2)cc1C ZINC000035128587 569675319 /nfs/dbraw/zinc/67/53/19/569675319.db2.gz FLPSHDMHEHOWGA-UHFFFAOYSA-N 0 0 481.577 6.807 40 0 JKABRN COc1cc([C@@H]2c3c(n[nH]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035147367 569675920 /nfs/dbraw/zinc/67/59/20/569675920.db2.gz AASHPBRMAGGILL-XMMPIXPASA-N 0 0 490.357 5.612 40 0 JKABRN O=C(Nc1ccc(NC(=O)c2ccccc2I)cc1)c1cccc(Cl)c1 ZINC000035264145 569678981 /nfs/dbraw/zinc/67/89/81/569678981.db2.gz BOMRJUXDAUPEBZ-UHFFFAOYSA-N 0 0 476.701 5.449 40 0 JKABRN CCOc1cc(C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000035154940 569676328 /nfs/dbraw/zinc/67/63/28/569676328.db2.gz CNBWAPQISYONDO-UHFFFAOYSA-N 0 0 474.782 6.641 40 0 JKABRN COc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000065734855 569676487 /nfs/dbraw/zinc/67/64/87/569676487.db2.gz SDMSVURKQNRAEU-UHFFFAOYSA-N 0 0 482.708 8.306 40 0 in-vitro JKABRN COC(=O)COc1ccc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C ZINC000065742779 569676557 /nfs/dbraw/zinc/67/65/57/569676557.db2.gz QODOIZHAPCCMJN-UHFFFAOYSA-N 0 0 467.534 6.290 40 0 in-vitro JKABRN Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)c(C)c1 ZINC000035168753 569677191 /nfs/dbraw/zinc/67/71/91/569677191.db2.gz MEPZBRMWRLYXCC-UHFFFAOYSA-N 0 0 452.576 5.047 40 0 JKABRN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000035167824 569677267 /nfs/dbraw/zinc/67/72/67/569677267.db2.gz IGFVALMAAIHJKI-LFVRLGFBSA-N 0 0 460.521 5.579 40 0 JKABRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000035176425 569677371 /nfs/dbraw/zinc/67/73/71/569677371.db2.gz JUVLSFNAXOYZMK-UHFFFAOYSA-N 0 0 485.824 5.876 40 0 JKABRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)c3C)oc2c(C)c1 ZINC000035199407 569678080 /nfs/dbraw/zinc/67/80/80/569678080.db2.gz GXRYRMZPKJKFAE-UHFFFAOYSA-N 0 0 450.538 7.549 40 0 JKABRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1c(F)c(F)c(F)c(F)c1F ZINC000035196428 569678124 /nfs/dbraw/zinc/67/81/24/569678124.db2.gz RKKPOMVVWXFLBL-WOUAJJJCSA-N 0 0 493.431 5.806 40 0 JKABRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000035211265 569678270 /nfs/dbraw/zinc/67/82/70/569678270.db2.gz HTKKRWUDQTYWRP-NDENLUEZSA-N 0 0 455.988 6.800 40 0 JKABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1Cl ZINC000035225817 569678473 /nfs/dbraw/zinc/67/84/73/569678473.db2.gz BJRAXBDNNNJFSB-JAIQZWGSSA-N 0 0 486.908 5.423 40 0 JKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000035225967 569678484 /nfs/dbraw/zinc/67/84/84/569678484.db2.gz XVOJQSJFVGQDKR-OAQYLSRUSA-N 0 0 475.397 6.340 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)Cc2ccc(Cl)cc2)c(C)c1 ZINC000035238537 569678576 /nfs/dbraw/zinc/67/85/76/569678576.db2.gz DNVLQCIHZDDOKH-UHFFFAOYSA-N 0 0 492.975 5.373 40 0 JKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000035263611 569678991 /nfs/dbraw/zinc/67/89/91/569678991.db2.gz OVIVDSJFZHMETH-UHFFFAOYSA-N 0 0 456.885 5.555 40 0 JKABRN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(COc2ccccc2)cc1 ZINC000035264085 569679001 /nfs/dbraw/zinc/67/90/01/569679001.db2.gz QAIQJXDCWBMIFF-UHFFFAOYSA-N 0 0 456.929 6.424 40 0 JKABRN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000035269532 569679179 /nfs/dbraw/zinc/67/91/79/569679179.db2.gz SZSQWISLASTANF-UHFFFAOYSA-N 0 0 485.754 7.411 40 0 JKABRN O=C(Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1)c1cccc(Cl)c1 ZINC000035269845 569679232 /nfs/dbraw/zinc/67/92/32/569679232.db2.gz UAWHGTHOZUHGBA-UHFFFAOYSA-N 0 0 459.958 5.872 40 0 JKABRN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1 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PUJNZHZKECTQRA-NDEPHWFRSA-N 0 0 479.580 5.383 40 0 JKABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000035352126 569681839 /nfs/dbraw/zinc/68/18/39/569681839.db2.gz VRDWQFIIGTZBOE-MOUTVQLLSA-N 0 0 458.355 5.692 40 0 JKABRN COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]13c4c(OC)ccc(OC)c4[C@@H](C[C@H]21)[C@@H](C(C)C)[C@H]3O ZINC000035361510 569682160 /nfs/dbraw/zinc/68/21/60/569682160.db2.gz DLBTTXKMLBYQCR-REASEBQASA-N 0 0 470.650 5.471 40 0 JKABRN Cc1cccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000035363020 569682591 /nfs/dbraw/zinc/68/25/91/569682591.db2.gz GWELXIOLLGZTNX-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035374685 569684180 /nfs/dbraw/zinc/68/41/80/569684180.db2.gz PIDIKGQVSUCSGW-NZCWTCFWSA-N 0 0 460.986 5.159 40 0 JKABRN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccs2)[C@H](c2ccc(Cl)cc2)[C@H]2CSCN21 ZINC000035375590 569684514 /nfs/dbraw/zinc/68/45/14/569684514.db2.gz RGTNNAVPXXMIQX-PTGPVQHPSA-N 0 0 497.041 5.229 40 0 JKABRN C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000035377212 569685125 /nfs/dbraw/zinc/68/51/25/569685125.db2.gz OPPZFKULPSJAAY-NSHDSACASA-N 0 0 455.798 5.559 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)cc(I)c1OC ZINC000035385751 569686712 /nfs/dbraw/zinc/68/67/12/569686712.db2.gz XKRJXHLPZVDXFX-UHFFFAOYSA-N 0 0 466.102 5.258 40 0 JKABRN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000035386526 569686950 /nfs/dbraw/zinc/68/69/50/569686950.db2.gz TXEWROFFHKMWQP-UHFFFAOYSA-N 0 0 466.603 5.464 40 0 JKABRN Cl[C@]1(c2ccccc2)C(=C(c2ccccc2)c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000068603899 569691585 /nfs/dbraw/zinc/69/15/85/569691585.db2.gz WFKDVVPWZJKAFW-DHUJRADRSA-N 0 0 481.038 9.247 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000035419802 569692262 /nfs/dbraw/zinc/69/22/62/569692262.db2.gz HCVNDXUPMXMSQS-UHFFFAOYSA-N 0 0 495.782 5.164 40 0 JKABRN Cc1cc(C(=O)CSC2=N[C@@H]3SC=C(c4ccccc4)[C@@H]3C(=O)N2C)c(C)n1-c1nccs1 ZINC000070503715 569695327 /nfs/dbraw/zinc/69/53/27/569695327.db2.gz WJXWWJWPPAIRFR-LEWJYISDSA-N 0 0 494.667 5.025 40 0 JKABRN Cc1cc(C(=O)CSC2=N[C@H]3SC=C(c4ccccc4)[C@@H]3C(=O)N2C)c(C)n1-c1nccs1 ZINC000070503714 569695387 /nfs/dbraw/zinc/69/53/87/569695387.db2.gz WJXWWJWPPAIRFR-SFTDATJTSA-N 0 0 494.667 5.025 40 0 JKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(Br)cc1 ZINC000070503674 569695398 /nfs/dbraw/zinc/69/53/98/569695398.db2.gz PFKGFJCCRCCVRN-UHFFFAOYSA-N 0 0 490.854 6.841 40 0 JKABRN CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000070680943 569695682 /nfs/dbraw/zinc/69/56/82/569695682.db2.gz DOAJFZJEGHSYOI-PGOIBATFSA-N 0 0 476.742 5.712 40 0 biogenic JKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@H]32)C1 ZINC000070691566 569695696 /nfs/dbraw/zinc/69/56/96/569695696.db2.gz CZCROZIJKBXZDP-RHTJVWADSA-N 0 0 456.667 6.285 40 0 biogenic JKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000070691571 569695699 /nfs/dbraw/zinc/69/56/99/569695699.db2.gz CZCROZIJKBXZDP-LDCFYIPZSA-N 0 0 456.667 6.285 40 0 biogenic JKABRN CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2C[C@@H](O)[C@H]2[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@]23C)O1 ZINC000070691819 569695783 /nfs/dbraw/zinc/69/57/83/569695783.db2.gz VGALEQRDKRZJFD-NLOYTGQUSA-N 0 0 476.742 5.712 40 0 biogenic JKABRN OCCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1Cl)C(=S)Nc1ccccc1 ZINC000071195304 569696005 /nfs/dbraw/zinc/69/60/05/569696005.db2.gz XBWVUYAAZOWDPL-UHFFFAOYSA-N 0 0 463.006 5.384 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N(C(=O)OC(C)(C)C)C(C)C)cc1 ZINC000072214956 569700150 /nfs/dbraw/zinc/70/01/50/569700150.db2.gz RZBVHNYFHLOZRR-JOCHJYFZSA-N 0 0 473.639 5.456 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072215187 569700172 /nfs/dbraw/zinc/70/01/72/569700172.db2.gz QIVKARIPPPQGCR-NFBKMPQASA-N 0 0 487.666 5.846 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072215221 569700192 /nfs/dbraw/zinc/70/01/92/569700192.db2.gz STBLLXQWUSPYDG-DENIHFKCSA-N 0 0 453.583 6.095 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072215222 569700199 /nfs/dbraw/zinc/70/01/99/569700199.db2.gz STBLLXQWUSPYDG-SIKLNZKXSA-N 0 0 453.583 6.095 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215047 569700236 /nfs/dbraw/zinc/70/02/36/569700236.db2.gz XAZPAQDUHUYYTC-QFIPXVFZSA-N 0 0 473.639 5.457 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CCCC3)nc2)cc1 ZINC000072215600 569700256 /nfs/dbraw/zinc/70/02/56/569700256.db2.gz CJORKZPHFPCEDU-XMMPIXPASA-N 0 0 499.677 5.990 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215298 569700271 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/nfs/dbraw/zinc/73/98/81/569739881.db2.gz LUDSVYCNLLQLHH-LHXOBMNPSA-N 0 0 458.510 5.622 40 0 JKABRN Cc1cccc(NC(=O)Cn2c(=O)sc3c2S[C@H]2[C@H]4CC[C@H](C4)[C@H]2[C@H]3c2ccc(Cl)cc2)c1 ZINC000035982634 569742851 /nfs/dbraw/zinc/74/28/51/569742851.db2.gz OIABOPRIYUXOBS-JCMXLGDNSA-N 0 0 497.085 6.163 40 0 JKABRN Cc1ccc(NC(=O)Cn2c(=O)sc3c2S[C@@H]2[C@H]([C@@H]4CC[C@H]2C4)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000035982639 569742863 /nfs/dbraw/zinc/74/28/63/569742863.db2.gz DPTHAGGFFIWJGR-VBRDXMQMSA-N 0 0 497.085 6.163 40 0 JKABRN Cc1ccc(NC(=O)Cn2c(=O)sc3c2S[C@H]2[C@H]4CC[C@H](C4)[C@H]2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000035982637 569742881 /nfs/dbraw/zinc/74/28/81/569742881.db2.gz DPTHAGGFFIWJGR-JCMXLGDNSA-N 0 0 497.085 6.163 40 0 JKABRN CCCCOc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000096791735 569743056 /nfs/dbraw/zinc/74/30/56/569743056.db2.gz MHVHYYNMBVRZLE-QKDODKLFSA-N 0 0 486.568 5.234 40 0 JKABRN O=C(COC(=O)c1ccccc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000097657511 569745719 /nfs/dbraw/zinc/74/57/19/569745719.db2.gz DFJLUHYGEQGBKS-LZSOQCRASA-N 0 0 464.905 5.506 40 0 JKABRN CC(C)(C)OC(=O)Nc1cc(=O)c(OCc2ccccc2)cn1-c1cccc(Br)c1 ZINC000097758602 569745894 /nfs/dbraw/zinc/74/58/94/569745894.db2.gz VRJGYUDCPATVCD-UHFFFAOYSA-N 0 0 471.351 5.526 40 0 JKABRN COc1ccc(NC(=O)OC(C)(C)C)c([C@@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2OC)c1 ZINC000098174910 569750725 /nfs/dbraw/zinc/75/07/25/569750725.db2.gz PJEUXSZHPIATSY-OAQYLSRUSA-N 0 0 474.554 5.480 40 0 JKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@H](C)[C@@H]5[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000100004822 569751158 /nfs/dbraw/zinc/75/11/58/569751158.db2.gz CVKZWRTYHCDWTE-MEQKNSSVSA-N 0 0 472.666 5.544 40 0 JKABRN C[C@@]12C[C@@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]3(C)[C@@H](O)[C@@H]1OC2=O ZINC000100192270 569755090 /nfs/dbraw/zinc/75/50/90/569755090.db2.gz HPCKTSQVFAOGNN-XPCVEMDRSA-N 0 0 470.694 5.655 40 0 JKABRN O=C1C2[C@H](c3ccccc3)N(CN3[C@@H](c4ccccc4)C1[C@H]3c1ccccc1)[C@@H]2c1ccccc1 ZINC000100293705 569756949 /nfs/dbraw/zinc/75/69/49/569756949.db2.gz GQEOESVBSCGECK-ZRBGJJMDSA-N 0 0 456.589 6.355 40 0 JKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2F)cc1 ZINC000036183301 569757019 /nfs/dbraw/zinc/75/70/19/569757019.db2.gz ADSXUJRQLMMZQK-UHFFFAOYSA-N 0 0 462.550 5.127 40 0 JKABRN O=C1[C@@H]2C[C@H](c3ccccc3)CC[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000100394377 569758727 /nfs/dbraw/zinc/75/87/27/569758727.db2.gz YVSVXKPWJPJXJM-VOQZNFBZSA-N 0 0 466.364 6.859 40 0 JKABRN O=C1[C@@H]2C[C@@H](c3ccccc3)CC[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000100394380 569758732 /nfs/dbraw/zinc/75/87/32/569758732.db2.gz YVSVXKPWJPJXJM-BULFRSBZSA-N 0 0 466.364 6.859 40 0 JKABRN O=C(CCCOc1ccccc1F)NC[C@H]1CC[C@H](c2ncc(Cl)cc2-c2ccncc2)CC1 ZINC000100492862 569762253 /nfs/dbraw/zinc/76/22/53/569762253.db2.gz SPDLRBCNGGTADK-TYKWCNGQSA-N 0 0 481.999 6.185 40 0 JKABRN CCOc1ccc(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](c3ncc(Cl)cc3-c3ccncc3)CC2)cc1 ZINC000100492879 569762273 /nfs/dbraw/zinc/76/22/73/569762273.db2.gz ZIMKFRKGNOEGHO-JAXLGGSGSA-N 0 0 494.035 6.053 40 0 JKABRN O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000100562478 569764789 /nfs/dbraw/zinc/76/47/89/569764789.db2.gz LFKSTPLPVXVNTB-ACRUOGEOSA-N 0 0 473.743 5.698 40 0 JKABRN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccc(-c2ccccc2)cc1 ZINC000100688930 569766954 /nfs/dbraw/zinc/76/69/54/569766954.db2.gz DECWPTMALFXWDM-FKWFRFQNSA-N 0 0 497.554 5.115 40 0 JKABRN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccc(-c2ccccc2)cc1 ZINC000100688928 569766994 /nfs/dbraw/zinc/76/69/94/569766994.db2.gz DECWPTMALFXWDM-QUAHOIDUSA-N 0 0 497.554 5.115 40 0 JKABRN CCCCc1cc(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc12 ZINC000100763806 569769124 /nfs/dbraw/zinc/76/91/24/569769124.db2.gz BEZGOCXNVYFNMX-GRGXKFILSA-N 0 0 491.584 5.774 40 0 JKABRN Cc1cc(OC(=O)[C@H]2CC[C@H](CNC(=O)OCc3ccccc3)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000100760063 569769133 /nfs/dbraw/zinc/76/91/33/569769133.db2.gz OXARYHQGHPPYCY-GRGXKFILSA-N 0 0 477.557 5.356 40 0 JKABRN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)c12 ZINC000100762980 569769151 /nfs/dbraw/zinc/76/91/51/569769151.db2.gz QFOJHJABMTUAFT-IQGASKDCSA-N 0 0 477.557 5.302 40 0 JKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)C[C@@H]1CC3 ZINC000036371490 569773472 /nfs/dbraw/zinc/77/34/72/569773472.db2.gz YGRUIHLNVGMTQY-KQBVVSDASA-N 0 0 490.772 9.398 40 0 JKABRN COC(=O)C[C@]1(C)C(C(C)(C)C(=O)OC)=CC[C@@H]2[C@@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 ZINC000036371355 569773483 /nfs/dbraw/zinc/77/34/83/569773483.db2.gz MGWDQABSOUWUTG-MYPIPJIISA-N 0 0 488.753 7.606 40 0 JKABRN COC(=O)C[C@]1(C)C(C(C)(C)C(=O)OC)=CC[C@@H]2[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 ZINC000036371358 569773509 /nfs/dbraw/zinc/77/35/09/569773509.db2.gz MGWDQABSOUWUTG-OOLQXTODSA-N 0 0 488.753 7.606 40 0 JKABRN COC(=O)C[C@]1(C)C(C(C)(C)C(=O)OC)=CC[C@@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 ZINC000036371357 569773515 /nfs/dbraw/zinc/77/35/15/569773515.db2.gz MGWDQABSOUWUTG-SBHYWZPXSA-N 0 0 488.753 7.606 40 0 JKABRN Cc1ccc(NC(=O)c2ccccc2S[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000100879531 569774142 /nfs/dbraw/zinc/77/41/42/569774142.db2.gz DKXOEZQMHCOHHV-NRFANRHFSA-N 0 0 495.398 5.434 40 0 JKABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Br)cc3)C2=O)cc1C ZINC000100893583 569774464 /nfs/dbraw/zinc/77/44/64/569774464.db2.gz VKVKBVQYPQPHFH-ZLNRFVROSA-N 0 0 477.358 5.117 40 0 JKABRN COCc1cc(C)nc2oc([C@@H](c3ccc(C)o3)c3ccccc3)c(NC(=O)c3ccccc3)c21 ZINC000036559021 569776579 /nfs/dbraw/zinc/77/65/79/569776579.db2.gz WGIAUQHWDIFHBY-XMMPIXPASA-N 0 0 466.537 6.617 40 0 JKABRN Cc1ccc(NC(=O)Cn2c(=O)sc3c2S[C@H]2[C@H]4CC[C@H](C4)[C@H]2[C@H]3c2cccs2)cc1 ZINC000036580095 569776943 /nfs/dbraw/zinc/77/69/43/569776943.db2.gz ZJMRIKJITQOFAO-SOCIYPEWSA-N 0 0 468.669 5.571 40 0 JKABRN FC(F)Oc1ccc(-c2nn(Cc3ccncc3)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1 ZINC000036611540 569777671 /nfs/dbraw/zinc/77/76/71/569777671.db2.gz WBEBGTAPIGDSIU-UHFFFAOYSA-N 0 0 477.845 6.517 40 0 JKABRN O=C(N[C@H](CSCc1ccccc1)C(=O)OCc1cnc(-c2ccccc2)o1)c1ccccc1 ZINC000036612819 569777924 /nfs/dbraw/zinc/77/79/24/569777924.db2.gz AHHSIFXOJSVRFP-XMMPIXPASA-N 0 0 472.566 5.117 40 0 JKABRN COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c32)cc1 ZINC000036618922 569778567 /nfs/dbraw/zinc/77/85/67/569778567.db2.gz XJSPANZMDQERRI-UHFFFAOYSA-N 0 0 453.502 5.012 40 0 JKABRN Cc1ccc(S(=O)(=O)/N=c2/scc(-c3ccc(Br)cc3)n2C2CCCCC2)cc1 ZINC000100984916 569778621 /nfs/dbraw/zinc/77/86/21/569778621.db2.gz AEWHHLNDLDUPOG-ZNTNEXAZSA-N 0 0 491.476 6.082 40 0 JKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)cc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000036625088 569778806 /nfs/dbraw/zinc/77/88/06/569778806.db2.gz WEZBTZKNNKXXCV-NYRSABAFSA-N 0 0 493.272 7.539 40 0 JKABRN COc1cccc(C(=O)N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)c1 ZINC000036628169 569778976 /nfs/dbraw/zinc/77/89/76/569778976.db2.gz ZINVQNPFTOAUJS-UHFFFAOYSA-N 0 0 489.579 5.059 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000036628249 569778981 /nfs/dbraw/zinc/77/89/81/569778981.db2.gz JJQJQASZRVRPNQ-SAPNQHFASA-N 0 0 499.618 5.758 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036628185 569779062 /nfs/dbraw/zinc/77/90/62/569779062.db2.gz JYPATCSFWPCDFA-UHFFFAOYSA-N 0 0 491.570 5.497 40 0 JKABRN CCCC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000036628399 569779085 /nfs/dbraw/zinc/77/90/85/569779085.db2.gz RDQDDPLZGHFNLW-UHFFFAOYSA-N 0 0 459.981 5.190 40 0 JKABRN COc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000036628519 569779164 /nfs/dbraw/zinc/77/91/64/569779164.db2.gz CGGXFAXDNGBASZ-UHFFFAOYSA-N 0 0 495.608 5.120 40 0 JKABRN O=c1[nH]c(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(C=Nc2ccc(Cl)cc2)s1 ZINC000036633806 569779456 /nfs/dbraw/zinc/77/94/56/569779456.db2.gz NUDKJYIHTYPWIO-PZLPMSIKSA-N 0 0 493.419 7.363 40 0 JKABRN COc1cc(/C=C2\SC(=O)N=C2N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000036633813 569779515 /nfs/dbraw/zinc/77/95/15/569779515.db2.gz PZNBOSNXFQOUPI-ZJVWCJDDSA-N 0 0 489.984 6.512 40 0 JKABRN O=C1c2cccc3cccc(c32)C(=O)N1CCCCCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000036644144 569779651 /nfs/dbraw/zinc/77/96/51/569779651.db2.gz AKNFJMLMAGQROP-UHFFFAOYSA-N 0 0 490.559 5.836 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3[C@]3(CC)CCC(CC)=CO3)C2=O)cc1 ZINC000101031213 569780130 /nfs/dbraw/zinc/78/01/30/569780130.db2.gz QJZAAVNLNNRBFQ-VZTVMPNDSA-N 0 0 490.600 5.407 40 0 JKABRN Cc1ccccc1-n1c(O)c2c(c1O)[C@@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000101039372 569780278 /nfs/dbraw/zinc/78/02/78/569780278.db2.gz MCHXRCKPXYDWTL-SMIHKQSGSA-N 0 0 469.928 5.248 40 0 JKABRN CCCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101038627 569780327 /nfs/dbraw/zinc/78/03/27/569780327.db2.gz IEDYHFDKIHVILF-ZNZIZOMTSA-N 0 0 456.542 5.307 40 0 JKABRN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101037959 569780348 /nfs/dbraw/zinc/78/03/48/569780348.db2.gz XQOMMHZCPXMMNP-VABKMULXSA-N 0 0 499.350 5.062 40 0 JKABRN CCCOc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cn(C)c4ccccc24)N(c2ccccc2)O3)cc1 ZINC000101054462 569780549 /nfs/dbraw/zinc/78/05/49/569780549.db2.gz DEHFZJUHONNBRJ-PFBJBMPXSA-N 0 0 481.552 5.018 40 0 JKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)cc1 ZINC000036808973 569780870 /nfs/dbraw/zinc/78/08/70/569780870.db2.gz CJSBTKUTJOFRKH-UHFFFAOYSA-N 0 0 458.587 5.296 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccncc2)cc1C ZINC000036858314 569780996 /nfs/dbraw/zinc/78/09/96/569780996.db2.gz LKGDMJLAKKIYIT-UHFFFAOYSA-N 0 0 463.994 5.639 40 0 JKABRN Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000037100528 569781344 /nfs/dbraw/zinc/78/13/44/569781344.db2.gz SKWINKWHSADLLS-AREMUKBSSA-N 0 0 477.530 6.241 40 0 JKABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc(Cl)c2)C1=O ZINC000101081966 569781801 /nfs/dbraw/zinc/78/18/01/569781801.db2.gz DARZNMVGTHKPQI-VSKRKVRLSA-N 0 0 453.325 5.353 40 0 JKABRN CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000101096630 569782457 /nfs/dbraw/zinc/78/24/57/569782457.db2.gz PXSBOFFPANTTHJ-VABKMULXSA-N 0 0 467.352 5.607 40 0 JKABRN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101108272 569783095 /nfs/dbraw/zinc/78/30/95/569783095.db2.gz IBYZXIMWJRVOOK-FUDKSRODSA-N 0 0 499.350 5.062 40 0 JKABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000101126008 569783745 /nfs/dbraw/zinc/78/37/45/569783745.db2.gz YCKZIYVRIPZFNG-VJBWXMMDSA-N 0 0 499.350 5.062 40 0 JKABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)C2=O)c(C)c1 ZINC000101138660 569784255 /nfs/dbraw/zinc/78/42/55/569784255.db2.gz VFGVPJFOWZWFSG-CYXNTTPDSA-N 0 0 454.570 5.652 40 0 JKABRN Cc1ccc(OC(=S)O[C@@H]2C[C@@H]3C=C[C@@H]4C[C@@H](OC(=S)Oc5ccc(C)cc5)C2[C@@H]34)cc1 ZINC000101138893 569784274 /nfs/dbraw/zinc/78/42/74/569784274.db2.gz ZPBXGQBEJXNORK-DIWCYSIOSA-N 0 0 466.624 5.943 40 0 JKABRN COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000101173325 569785971 /nfs/dbraw/zinc/78/59/71/569785971.db2.gz IXBALEIDQQGARE-FKBYEOEOSA-N 0 0 469.324 5.053 40 0 JKABRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000101176079 569786077 /nfs/dbraw/zinc/78/60/77/569786077.db2.gz GWYMEFLNMYFRLW-SDHSZQHLSA-N 0 0 456.542 5.044 40 0 JKABRN CCCOc1ccc([C@H]2c3c(O)n(-c4ccc(CC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000101180618 569786266 /nfs/dbraw/zinc/78/62/66/569786266.db2.gz XYZIWRRLWQCUOS-PVHODMMVSA-N 0 0 486.568 5.098 40 0 JKABRN CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C1=O ZINC000101187953 569786367 /nfs/dbraw/zinc/78/63/67/569786367.db2.gz CICFCRFDQMHNBT-ZRBLBEILSA-N 0 0 498.457 5.035 40 0 JKABRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N[C@H](C)c4ccccc4)c(Cl)c3N2)cc1 ZINC000101192856 569786732 /nfs/dbraw/zinc/78/67/32/569786732.db2.gz YCBPAYVZVHKZLK-ZTFGCOKTSA-N 0 0 462.903 5.996 40 0 JKABRN C[C@@H](OC(=O)c1cccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1)C(=O)c1ccccc1 ZINC000101224625 569787535 /nfs/dbraw/zinc/78/75/35/569787535.db2.gz MOYAGNGTQRBWKQ-IDAKWDCBSA-N 0 0 481.548 5.188 40 0 JKABRN C[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1)C(=O)c1ccccc1 ZINC000101224622 569787548 /nfs/dbraw/zinc/78/75/48/569787548.db2.gz MOYAGNGTQRBWKQ-UBZHHNTMSA-N 0 0 481.548 5.188 40 0 JKABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3c(c1)oc1ccccc13)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101407292 569796907 /nfs/dbraw/zinc/79/69/07/569796907.db2.gz IKVVNVZYSFCTFY-NKHHQPSRSA-N 0 0 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CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000038754703 569806796 /nfs/dbraw/zinc/80/67/96/569806796.db2.gz HIKKKXRPRCRGJU-VWLOTQADSA-N 0 0 466.603 5.517 40 0 JKABRN CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000038754660 569806832 /nfs/dbraw/zinc/80/68/32/569806832.db2.gz MJQZFDQQQRSRPR-QHCPKHFHSA-N 0 0 497.488 5.439 40 0 JKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000038754569 569806869 /nfs/dbraw/zinc/80/68/69/569806869.db2.gz GXUYWICEBKXJGO-HXUWFJFHSA-N 0 0 451.566 6.774 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000038754366 569806873 /nfs/dbraw/zinc/80/68/73/569806873.db2.gz YYRJKLOFBDTTHH-WINIVTDRSA-N 0 0 479.045 6.222 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000038755108 569806955 /nfs/dbraw/zinc/80/69/55/569806955.db2.gz HBQYJKKAYJRIGW-BVRKHOPBSA-N 0 0 492.644 6.289 40 0 JKABRN 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JTSASGCSJFEBHF-GOSISDBHSA-N 0 0 452.982 5.204 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000222853088 569892763 /nfs/dbraw/zinc/89/27/63/569892763.db2.gz IBSJSGHBYWHNBU-JOCHJYFZSA-N 0 0 497.488 5.567 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000222854865 569892848 /nfs/dbraw/zinc/89/28/48/569892848.db2.gz GAACCBZKPKYXPR-INIZCTEOSA-N 0 0 451.007 5.044 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2cccc3ccccc32)cc1)c1ccccc1 ZINC000222856004 569892852 /nfs/dbraw/zinc/89/28/52/569892852.db2.gz MFYWYYAGHMKJLX-NRFANRHFSA-N 0 0 472.610 5.128 40 0 JKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 ZINC000222860872 569892910 /nfs/dbraw/zinc/89/29/10/569892910.db2.gz VIBREVKZDMNISY-IBGZPJMESA-N 0 0 454.035 7.470 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000222861224 569892957 /nfs/dbraw/zinc/89/29/57/569892957.db2.gz XHWACCQHMMMLAM-SFHVURJKSA-N 0 0 459.030 5.348 40 0 JKABRN O=C(NCc1cccc2ccccc21)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000222861268 569892995 /nfs/dbraw/zinc/89/29/95/569892995.db2.gz CJGPNMUNEUZLBA-LJQANCHMSA-N 0 0 491.440 5.005 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000222861288 569892997 /nfs/dbraw/zinc/89/29/97/569892997.db2.gz XHWACCQHMMMLAM-GOSISDBHSA-N 0 0 459.030 5.348 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1Cl ZINC000222865599 569893074 /nfs/dbraw/zinc/89/30/74/569893074.db2.gz ZYBKKHWEIQNCJV-INIZCTEOSA-N 0 0 451.007 5.044 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000222866778 569893081 /nfs/dbraw/zinc/89/30/81/569893081.db2.gz KMPVPGVEEPZQRJ-OAHLLOKOSA-N 0 0 485.452 5.698 40 0 JKABRN CSc1ccc(S(=O)(=O)NCc2cccc3ccccc32)cc1C(=O)N1CCCCCC1 ZINC000222868351 569893114 /nfs/dbraw/zinc/89/31/14/569893114.db2.gz HQMNWHTWWCBBMI-UHFFFAOYSA-N 0 0 468.644 5.056 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222868385 569893150 /nfs/dbraw/zinc/89/31/50/569893150.db2.gz OAXOOJGROKIAQB-NDEPHWFRSA-N 0 0 486.656 5.311 40 0 JKABRN CCOc1ccc(N(CC(=O)NCc2cc(CC)ccc2CC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222877320 569893347 /nfs/dbraw/zinc/89/33/47/569893347.db2.gz OAKJGGXCEPZBGA-UHFFFAOYSA-N 0 0 494.657 5.030 40 0 JKABRN CC[C@H](C(=O)NCc1cccc2ccccc21)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222885333 569893588 /nfs/dbraw/zinc/89/35/88/569893588.db2.gz VAALPJDUKDPVQC-OAQYLSRUSA-N 0 0 465.402 5.008 40 0 JKABRN CS(=O)(=O)N(CCCC(=O)NCc1cccc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000222888250 569893600 /nfs/dbraw/zinc/89/36/00/569893600.db2.gz CSOLVIFSYLUHEB-UHFFFAOYSA-N 0 0 465.402 5.009 40 0 JKABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000222888514 569893670 /nfs/dbraw/zinc/89/36/70/569893670.db2.gz OGEAWJCAKRFXQG-UHFFFAOYSA-N 0 0 472.610 5.353 40 0 JKABRN Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222905435 569894057 /nfs/dbraw/zinc/89/40/57/569894057.db2.gz XUWCXGJQZGDIOD-MRXNPFEDSA-N 0 0 467.462 5.726 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 ZINC000222905293 569894062 /nfs/dbraw/zinc/89/40/62/569894062.db2.gz BOLBDWOOEWSINA-OAHLLOKOSA-N 0 0 453.435 5.418 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 ZINC000222905232 569894066 /nfs/dbraw/zinc/89/40/66/569894066.db2.gz BOLBDWOOEWSINA-HNNXBMFYSA-N 0 0 453.435 5.418 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 ZINC000222906829 569894094 /nfs/dbraw/zinc/89/40/94/569894094.db2.gz GCUCENUANGJELC-INIZCTEOSA-N 0 0 467.462 5.808 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(=O)(=O)c1ccccc1 ZINC000222910201 569894141 /nfs/dbraw/zinc/89/41/41/569894141.db2.gz GWJXHRLNWZXLHN-NRFANRHFSA-N 0 0 476.642 5.201 40 0 JKABRN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccccc2)cc1 ZINC000222911426 569894158 /nfs/dbraw/zinc/89/41/58/569894158.db2.gz WJJTXEQIQIEBJP-NRFANRHFSA-N 0 0 492.641 5.037 40 0 JKABRN Cc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(=O)(=O)c1ccccc1 ZINC000222912573 569894205 /nfs/dbraw/zinc/89/42/05/569894205.db2.gz HTOIJFQRVRLWPG-FQEVSTJZSA-N 0 0 497.060 5.600 40 0 JKABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000222913873 569894213 /nfs/dbraw/zinc/89/42/13/569894213.db2.gz ISYNEMYODSJRMK-MRXNPFEDSA-N 0 0 493.412 5.075 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2cc(C)cc(C)c2)cc1 ZINC000222914718 569894252 /nfs/dbraw/zinc/89/42/52/569894252.db2.gz NAUVRCJPFMTZEE-QHCPKHFHSA-N 0 0 490.669 5.563 40 0 JKABRN C[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222920371 569894369 /nfs/dbraw/zinc/89/43/69/569894369.db2.gz OTRLFSSQOBSVQY-GOSISDBHSA-N 0 0 487.402 5.799 40 0 JKABRN C[C@@H](C(=O)NCc1ccccc1Cl)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222920034 569894395 /nfs/dbraw/zinc/89/43/95/569894395.db2.gz FNVZDCGEGMYHOC-IBGZPJMESA-N 0 0 452.957 5.145 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222920760 569894423 /nfs/dbraw/zinc/89/44/23/569894423.db2.gz VXNPDBUEHWSKQO-HXUWFJFHSA-N 0 0 478.614 5.001 40 0 JKABRN COc1ccccc1N(CCCC(=O)Nc1ccc(CSc2ccccc2)cc1)S(C)(=O)=O ZINC000222926549 569894558 /nfs/dbraw/zinc/89/45/58/569894558.db2.gz UTXSSPCEACNSBI-UHFFFAOYSA-N 0 0 484.643 5.172 40 0 JKABRN C[C@@H](NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222926888 569894596 /nfs/dbraw/zinc/89/45/96/569894596.db2.gz YLZWUIZXNVHIEN-HXUWFJFHSA-N 0 0 462.615 5.023 40 0 JKABRN COc1ccc(OCCCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222929833 569894663 /nfs/dbraw/zinc/89/46/63/569894663.db2.gz KICPLTYMTDCJIX-QGZVFWFLSA-N 0 0 495.447 5.493 40 0 JKABRN C[C@H](NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222929584 569894702 /nfs/dbraw/zinc/89/47/02/569894702.db2.gz KOYUAKFYJARYOK-ZDUSSCGKSA-N 0 0 489.852 5.169 40 0 JKABRN Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000222931615 569894733 /nfs/dbraw/zinc/89/47/33/569894733.db2.gz CJOYLDYMRQOSTB-FQEVSTJZSA-N 0 0 497.060 5.600 40 0 JKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000222931415 569894758 /nfs/dbraw/zinc/89/47/58/569894758.db2.gz CPHRIPXGOKRSMN-SFTDATJTSA-N 0 0 455.425 5.263 40 0 JKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222931820 569894760 /nfs/dbraw/zinc/89/47/60/569894760.db2.gz XLJPQPHHHMAWNV-NHCUHLMSSA-N 0 0 455.425 5.263 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1 ZINC000222933092 569894800 /nfs/dbraw/zinc/89/48/00/569894800.db2.gz OJLMTJBXGNLQKY-HXUWFJFHSA-N 0 0 462.615 5.474 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)cc1 ZINC000222933228 569894814 /nfs/dbraw/zinc/89/48/14/569894814.db2.gz CVZUFRNUENRWQF-HXUWFJFHSA-N 0 0 462.615 5.474 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)cc1C ZINC000222933486 569894830 /nfs/dbraw/zinc/89/48/30/569894830.db2.gz XFKGVLASQPDNAW-NRFANRHFSA-N 0 0 476.642 5.782 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1 ZINC000222933708 569894836 /nfs/dbraw/zinc/89/48/36/569894836.db2.gz FELXCGKODLVGDT-OAQYLSRUSA-N 0 0 476.642 5.782 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2C)c1 ZINC000222935650 569894855 /nfs/dbraw/zinc/89/48/55/569894855.db2.gz NROTWIHZQRAEFH-UHFFFAOYSA-N 0 0 476.649 5.017 40 0 JKABRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000222939568 569894961 /nfs/dbraw/zinc/89/49/61/569894961.db2.gz WUCLWVFJEYIWGL-SFHVURJKSA-N 0 0 475.054 5.275 40 0 JKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222939666 569894965 /nfs/dbraw/zinc/89/49/65/569894965.db2.gz ZIWRRKKPIKJETF-RTWAWAEBSA-N 0 0 474.399 5.872 40 0 JKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222939734 569894978 /nfs/dbraw/zinc/89/49/78/569894978.db2.gz ZIWRRKKPIKJETF-LEWJYISDSA-N 0 0 474.399 5.872 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222940935 569895000 /nfs/dbraw/zinc/89/50/00/569895000.db2.gz IVYZTBPDGKPIOL-KRWDZBQOSA-N 0 0 481.489 5.867 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000222940264 569895021 /nfs/dbraw/zinc/89/50/21/569895021.db2.gz OYJWYGBYKZQZPJ-GOSISDBHSA-N 0 0 485.455 6.411 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000222939908 569895024 /nfs/dbraw/zinc/89/50/24/569895024.db2.gz QXGUDSPHUBJNKB-INIZCTEOSA-N 0 0 493.431 5.029 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1F ZINC000222940566 569895047 /nfs/dbraw/zinc/89/50/47/569895047.db2.gz WLRNDCRXJGTTLQ-OAHLLOKOSA-N 0 0 485.452 5.698 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000222942902 569895050 /nfs/dbraw/zinc/89/50/50/569895050.db2.gz XGSXCIHWABGNMQ-CQSZACIVSA-N 0 0 455.813 5.521 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000222943346 569895058 /nfs/dbraw/zinc/89/50/58/569895058.db2.gz XQRIMUIOTOOPTG-CYBMUJFWSA-N 0 0 473.803 5.660 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000222943289 569895059 /nfs/dbraw/zinc/89/50/59/569895059.db2.gz XQRIMUIOTOOPTG-ZDUSSCGKSA-N 0 0 473.803 5.660 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222942991 569895067 /nfs/dbraw/zinc/89/50/67/569895067.db2.gz ZVMVNJKGHZZPOL-ZDUSSCGKSA-N 0 0 490.258 6.175 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c2C)cc1 ZINC000222943087 569895069 /nfs/dbraw/zinc/89/50/69/569895069.db2.gz IEFQWRCQSMDPMU-HXUWFJFHSA-N 0 0 462.615 5.474 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222943430 569895073 /nfs/dbraw/zinc/89/50/73/569895073.db2.gz YOFRCYIUYNTDQB-JOCHJYFZSA-N 0 0 481.489 5.601 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000222941763 569895083 /nfs/dbraw/zinc/89/50/83/569895083.db2.gz ZGDBGYIAMCUMIQ-KRWDZBQOSA-N 0 0 493.475 6.002 40 0 JKABRN Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C ZINC000222944395 569895138 /nfs/dbraw/zinc/89/51/38/569895138.db2.gz LJASFXFVOMJUOL-MRXNPFEDSA-N 0 0 451.394 5.013 40 0 JKABRN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1Cl ZINC000222944587 569895148 /nfs/dbraw/zinc/89/51/48/569895148.db2.gz MPSZSJDSXFXHLR-UHFFFAOYSA-N 0 0 481.788 5.651 40 0 JKABRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222945356 569895158 /nfs/dbraw/zinc/89/51/58/569895158.db2.gz OLTGEOSMWQKGQD-SFHVURJKSA-N 0 0 475.054 5.275 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccccc1 ZINC000222945271 569895177 /nfs/dbraw/zinc/89/51/77/569895177.db2.gz XMVZDFFGJYWJDZ-OAHLLOKOSA-N 0 0 453.435 5.418 40 0 JKABRN C[C@H](NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222949559 569895241 /nfs/dbraw/zinc/89/52/41/569895241.db2.gz RMOIKGWIVOEKBN-INIZCTEOSA-N 0 0 483.461 5.296 40 0 JKABRN COc1ccc(CSCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222947488 569895249 /nfs/dbraw/zinc/89/52/49/569895249.db2.gz CTYWWYWHCSIWAY-MRXNPFEDSA-N 0 0 497.488 5.567 40 0 JKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222951599 569895280 /nfs/dbraw/zinc/89/52/80/569895280.db2.gz DHEJRKKXABPRAB-RPWUZVMVSA-N 0 0 453.055 6.224 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1c(F)cccc1Cl ZINC000222950880 569895293 /nfs/dbraw/zinc/89/52/93/569895293.db2.gz TUFKWVGKBPZIIZ-KRWDZBQOSA-N 0 0 451.007 5.046 40 0 JKABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)N1CCCCCC1 ZINC000222963205 569895597 /nfs/dbraw/zinc/89/55/97/569895597.db2.gz LSXZUHLHJVBVRZ-LJQANCHMSA-N 0 0 486.703 5.343 40 0 JKABRN C[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222966758 569895685 /nfs/dbraw/zinc/89/56/85/569895685.db2.gz KTWJUWKZRXFNGS-KRWDZBQOSA-N 0 0 469.006 5.511 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222968702 569895746 /nfs/dbraw/zinc/89/57/46/569895746.db2.gz MJDBMAGYXKATIL-SFHVURJKSA-N 0 0 491.503 6.556 40 0 JKABRN COc1ccc(OCCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222970494 569895784 /nfs/dbraw/zinc/89/57/84/569895784.db2.gz QJXBCUGWOIONOX-QGZVFWFLSA-N 0 0 495.447 5.493 40 0 JKABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222969698 569895789 /nfs/dbraw/zinc/89/57/89/569895789.db2.gz VEZGTSCGGDMDRA-QGZVFWFLSA-N 0 0 465.421 5.321 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc2ccccc21 ZINC000222972874 569895806 /nfs/dbraw/zinc/89/58/06/569895806.db2.gz ZIGCTYMEGLYSMX-KRWDZBQOSA-N 0 0 487.427 5.857 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1Cl ZINC000222971932 569895816 /nfs/dbraw/zinc/89/58/16/569895816.db2.gz DZZSMZIXEUGZMK-AWEZNQCLSA-N 0 0 471.812 5.358 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222973618 569895848 /nfs/dbraw/zinc/89/58/48/569895848.db2.gz QFTRHOZQPBDJPO-KRWDZBQOSA-N 0 0 465.421 5.321 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc(C)c1Cl ZINC000222973061 569895862 /nfs/dbraw/zinc/89/58/62/569895862.db2.gz AKIQUVBNPRWIPE-MRXNPFEDSA-N 0 0 499.866 5.974 40 0 JKABRN COc1ccccc1[C@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000222976753 569895930 /nfs/dbraw/zinc/89/59/30/569895930.db2.gz DRZMLEMBEQMZBW-MRDQGFSESA-N 0 0 481.017 5.614 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000222980530 569896003 /nfs/dbraw/zinc/89/60/03/569896003.db2.gz BHFLNYXWFOTDKR-MRXNPFEDSA-N 0 0 493.431 5.029 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000222982010 569896020 /nfs/dbraw/zinc/89/60/20/569896020.db2.gz USQWVXYZDMSSHS-CQSZACIVSA-N 0 0 471.812 5.358 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000222983612 569896068 /nfs/dbraw/zinc/89/60/68/569896068.db2.gz ICJXNIXMFIGDIC-CQSZACIVSA-N 0 0 455.813 5.521 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222983739 569896093 /nfs/dbraw/zinc/89/60/93/569896093.db2.gz QPNTYCTULXLDAA-CYBMUJFWSA-N 0 0 490.258 6.175 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222984552 569896151 /nfs/dbraw/zinc/89/61/51/569896151.db2.gz PSZPJARHQANUHH-LEWJYISDSA-N 0 0 474.399 6.016 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000222984699 569896170 /nfs/dbraw/zinc/89/61/70/569896170.db2.gz PLIMKJRPSCCSSU-VXKWHMMOSA-N 0 0 470.436 6.185 40 0 JKABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000222989019 569896335 /nfs/dbraw/zinc/89/63/35/569896335.db2.gz FSWUNPVLXAOFKL-SFHVURJKSA-N 0 0 485.411 5.278 40 0 JKABRN C[C@@H](NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222989512 569896372 /nfs/dbraw/zinc/89/63/72/569896372.db2.gz FOTGWBVBYTVCHU-QGZVFWFLSA-N 0 0 482.568 5.008 40 0 JKABRN COc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222993983 569896391 /nfs/dbraw/zinc/89/63/91/569896391.db2.gz XWBXFIDUVODKFP-NDEPHWFRSA-N 0 0 472.629 5.040 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222991953 569896401 /nfs/dbraw/zinc/89/64/01/569896401.db2.gz GOOQUPBAYARNDE-KRWDZBQOSA-N 0 0 467.462 5.560 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222991796 569896408 /nfs/dbraw/zinc/89/64/08/569896408.db2.gz NANRTOXOEVUIPH-KRWDZBQOSA-N 0 0 467.462 5.560 40 0 JKABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSCc2ccc(Cl)cc2)cc1 ZINC000222994823 569896440 /nfs/dbraw/zinc/89/64/40/569896440.db2.gz NHOQOXDUEDYTSP-JCMHNJIXSA-N 0 0 454.979 5.062 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1Cl ZINC000222995820 569896465 /nfs/dbraw/zinc/89/64/65/569896465.db2.gz DKAPIGPGANCTLL-QGZVFWFLSA-N 0 0 451.394 5.014 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Br)cc1 ZINC000222999049 569896576 /nfs/dbraw/zinc/89/65/76/569896576.db2.gz IWSKOWNALSQENZ-LJQANCHMSA-N 0 0 491.495 5.324 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223009788 569896727 /nfs/dbraw/zinc/89/67/27/569896727.db2.gz HNJARGVKVDYCRV-KRWDZBQOSA-N 0 0 465.421 5.484 40 0 JKABRN COc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223010570 569896745 /nfs/dbraw/zinc/89/67/45/569896745.db2.gz CEAQJBAAJUOJHZ-HHHXNRCGSA-N 0 0 493.047 5.303 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000223009704 569896754 /nfs/dbraw/zinc/89/67/54/569896754.db2.gz HJGZKJGFROGDJX-QGZVFWFLSA-N 0 0 465.421 5.321 40 0 JKABRN Cc1cc(C)cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223009567 569896755 /nfs/dbraw/zinc/89/67/55/569896755.db2.gz VWQJOHHAVOLLIR-QGZVFWFLSA-N 0 0 465.421 5.321 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc(C)c1Cl ZINC000223012983 569896791 /nfs/dbraw/zinc/89/67/91/569896791.db2.gz MDWDOCXELNWVJU-MRXNPFEDSA-N 0 0 499.866 5.974 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)ccc1Cl ZINC000223013293 569896832 /nfs/dbraw/zinc/89/68/32/569896832.db2.gz XVOYTDKUVPLPBI-OAHLLOKOSA-N 0 0 485.839 5.666 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223013599 569896862 /nfs/dbraw/zinc/89/68/62/569896862.db2.gz BYXJDFNNTIMXOW-QGZVFWFLSA-N 0 0 465.421 5.321 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223020703 569896940 /nfs/dbraw/zinc/89/69/40/569896940.db2.gz DTDBLFGIFFWHKD-GOSISDBHSA-N 0 0 485.455 6.411 40 0 JKABRN CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000223020016 569896952 /nfs/dbraw/zinc/89/69/52/569896952.db2.gz MEHUOVGQMGYPLK-BHBYDHKZSA-N 0 0 484.665 6.221 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223018756 569896957 /nfs/dbraw/zinc/89/69/57/569896957.db2.gz VNQUJEYAZPBEGZ-OAHLLOKOSA-N 0 0 469.840 5.911 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223017873 569896970 /nfs/dbraw/zinc/89/69/70/569896970.db2.gz GDTALGHLTIVGKL-GDLZYMKVSA-N 0 0 486.656 5.267 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223020645 569896972 /nfs/dbraw/zinc/89/69/72/569896972.db2.gz DTDBLFGIFFWHKD-SFHVURJKSA-N 0 0 485.455 6.411 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1F ZINC000223020983 569896996 /nfs/dbraw/zinc/89/69/96/569896996.db2.gz HGCOJUKKAWYUKH-OAHLLOKOSA-N 0 0 485.452 5.698 40 0 JKABRN CC(C)c1ccccc1OCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C ZINC000223022334 569896997 /nfs/dbraw/zinc/89/69/97/569896997.db2.gz JBSAPMSBJUXETK-KRWDZBQOSA-N 0 0 479.448 5.828 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223025034 569897041 /nfs/dbraw/zinc/89/70/41/569897041.db2.gz SFYRMCGATOKMHH-AREMUKBSSA-N 0 0 462.615 5.028 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000223022652 569897083 /nfs/dbraw/zinc/89/70/83/569897083.db2.gz QEHHQOPDYINOJL-KRWDZBQOSA-N 0 0 465.421 5.321 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223026136 569897094 /nfs/dbraw/zinc/89/70/94/569897094.db2.gz PSAWZCNEXIRYCS-NDEPHWFRSA-N 0 0 490.669 5.645 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2)S(=O)(=O)c1ccccc1 ZINC000223026232 569897118 /nfs/dbraw/zinc/89/71/18/569897118.db2.gz JTHDWQJOMMGXOE-MHZLTWQESA-N 0 0 490.669 5.591 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223025086 569897135 /nfs/dbraw/zinc/89/71/35/569897135.db2.gz SFYRMCGATOKMHH-SANMLTNESA-N 0 0 462.615 5.028 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223026894 569897164 /nfs/dbraw/zinc/89/71/64/569897164.db2.gz BLIPQXKBLVEBQL-CABCVRRESA-N 0 0 471.812 5.358 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223028528 569897186 /nfs/dbraw/zinc/89/71/86/569897186.db2.gz JJPXDULGKOJRAF-CVEARBPZSA-N 0 0 453.435 5.418 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223029538 569897205 /nfs/dbraw/zinc/89/72/05/569897205.db2.gz CVBOPBKWRACBEW-VQTJNVASSA-N 0 0 461.071 5.522 40 0 JKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000223029087 569897208 /nfs/dbraw/zinc/89/72/08/569897208.db2.gz ZKOWRDUUBZUQSK-NCJDQSJGSA-N 0 0 464.587 5.112 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223029770 569897215 /nfs/dbraw/zinc/89/72/15/569897215.db2.gz VJEWBEGAXWIXOS-INIZCTEOSA-N 0 0 497.886 5.528 40 0 JKABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000223029713 569897218 /nfs/dbraw/zinc/89/72/18/569897218.db2.gz QBYMBWNSPVVNGV-SFTDATJTSA-N 0 0 472.408 5.031 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223028586 569897229 /nfs/dbraw/zinc/89/72/29/569897229.db2.gz JJPXDULGKOJRAF-HOTGVXAUSA-N 0 0 453.435 5.418 40 0 JKABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000223029841 569897240 /nfs/dbraw/zinc/89/72/40/569897240.db2.gz QBYMBWNSPVVNGV-LEWJYISDSA-N 0 0 472.408 5.031 40 0 JKABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000223029895 569897269 /nfs/dbraw/zinc/89/72/69/569897269.db2.gz QBYMBWNSPVVNGV-NHCUHLMSSA-N 0 0 472.408 5.031 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(Cl)cc1 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CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1 ZINC000223790178 569923463 /nfs/dbraw/zinc/92/34/63/569923463.db2.gz LTGQAHJMMMPDAI-JWQCQUIFSA-N 0 0 493.007 6.241 40 0 JKABRN Cc1cccc(CN(C(=O)COc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223792133 569923494 /nfs/dbraw/zinc/92/34/94/569923494.db2.gz IYDXKJNLYFUZHP-QGZVFWFLSA-N 0 0 463.405 5.157 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000223792424 569923498 /nfs/dbraw/zinc/92/34/98/569923498.db2.gz RPOWIHINGJHTON-QHCPKHFHSA-N 0 0 473.057 5.740 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000223791717 569923499 /nfs/dbraw/zinc/92/34/99/569923499.db2.gz DCKZRLKTVJZLHI-RPBOFIJWSA-N 0 0 455.587 5.152 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000223791637 569923504 /nfs/dbraw/zinc/92/35/04/569923504.db2.gz UPPHDGCPDAHKHA-QHCPKHFHSA-N 0 0 461.071 5.605 40 0 JKABRN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000223793439 569923530 /nfs/dbraw/zinc/92/35/30/569923530.db2.gz LKZDYGPGVLVZSI-UHFFFAOYSA-N 0 0 499.636 5.508 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000223794147 569923540 /nfs/dbraw/zinc/92/35/40/569923540.db2.gz VAWROMYRYLAKLC-NRFANRHFSA-N 0 0 469.840 5.913 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 ZINC000223793928 569923550 /nfs/dbraw/zinc/92/35/50/569923550.db2.gz HCKODKXEIAVOGF-IZZNHLLZSA-N 0 0 460.647 6.191 40 0 JKABRN Cc1cccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223793489 569923567 /nfs/dbraw/zinc/92/35/67/569923567.db2.gz XTGJSNWZOFXURT-QFIPXVFZSA-N 0 0 452.664 5.321 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223795868 569923593 /nfs/dbraw/zinc/92/35/93/569923593.db2.gz PYQJNLLFQBEQRW-NRFANRHFSA-N 0 0 467.462 5.809 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1Cl ZINC000223796329 569923671 /nfs/dbraw/zinc/92/36/71/569923671.db2.gz NZOLVQDIZHFRAL-JOCHJYFZSA-N 0 0 481.489 5.950 40 0 JKABRN CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223804049 569923850 /nfs/dbraw/zinc/92/38/50/569923850.db2.gz UXSJLERKZJAEJW-AVRDEDQJSA-N 0 0 459.428 5.104 40 0 JKABRN Cc1cccc(CN(C(=O)CSCc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223806887 569923917 /nfs/dbraw/zinc/92/39/17/569923917.db2.gz FJQROQLTPNPFOW-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN Cc1cccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807059 569923934 /nfs/dbraw/zinc/92/39/34/569923934.db2.gz HUBLCYMEZRQXBI-NRFANRHFSA-N 0 0 450.623 5.147 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223807793 569923938 /nfs/dbraw/zinc/92/39/38/569923938.db2.gz NHOZZIRGHIAJOW-JOCHJYFZSA-N 0 0 475.029 5.014 40 0 JKABRN Cc1ccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807922 569923957 /nfs/dbraw/zinc/92/39/57/569923957.db2.gz RSVXUNSRCHOQSQ-IBGZPJMESA-N 0 0 459.055 5.358 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223807371 569923959 /nfs/dbraw/zinc/92/39/59/569923959.db2.gz QXPKIAFEMRPLCL-NDEPHWFRSA-N 0 0 491.075 6.586 40 0 JKABRN Cc1ccc(CN(C(=O)CSCc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808143 569923981 /nfs/dbraw/zinc/92/39/81/569923981.db2.gz WKEMFIQAOXGCQJ-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223807679 569923982 /nfs/dbraw/zinc/92/39/82/569923982.db2.gz SDNXIYSYZWUXIW-QFIPXVFZSA-N 0 0 465.034 5.436 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C ZINC000223808885 569923986 /nfs/dbraw/zinc/92/39/86/569923986.db2.gz GWIMSRVOMLHLRG-QHCPKHFHSA-N 0 0 459.030 5.566 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223809104 569923988 /nfs/dbraw/zinc/92/39/88/569923988.db2.gz UWEGJAPQICJFOA-OAQYLSRUSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223808785 569924026 /nfs/dbraw/zinc/92/40/26/569924026.db2.gz OQBCCCQMFFDJBY-NRFANRHFSA-N 0 0 451.394 5.096 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223808858 569924027 /nfs/dbraw/zinc/92/40/27/569924027.db2.gz QCSZPNKEJLKSPV-QHCPKHFHSA-N 0 0 473.057 5.740 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1F ZINC000223808645 569924028 /nfs/dbraw/zinc/92/40/28/569924028.db2.gz VZWGVHKAEWBSOC-QFIPXVFZSA-N 0 0 465.034 5.436 40 0 JKABRN Cc1ccc(CN(C(=O)CSCc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813704 569924092 /nfs/dbraw/zinc/92/40/92/569924092.db2.gz PJICYFPVVQFPSW-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813949 569924110 /nfs/dbraw/zinc/92/41/10/569924110.db2.gz AERARJWZCHCXTG-OAQYLSRUSA-N 0 0 450.623 5.147 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813935 569924116 /nfs/dbraw/zinc/92/41/16/569924116.db2.gz AERARJWZCHCXTG-NRFANRHFSA-N 0 0 450.623 5.147 40 0 JKABRN CCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223814414 569924117 /nfs/dbraw/zinc/92/41/17/569924117.db2.gz KGPNTTVIJTUHEC-GCJKJVERSA-N 0 0 459.428 5.104 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1c(F)cccc1Cl ZINC000223815155 569924144 /nfs/dbraw/zinc/92/41/44/569924144.db2.gz XGEMEDLPNOKMFP-MRXNPFEDSA-N 0 0 497.463 5.842 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814996 569924146 /nfs/dbraw/zinc/92/41/46/569924146.db2.gz HLPIRFZXQKBFGQ-IBGZPJMESA-N 0 0 459.055 5.607 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223815009 569924149 /nfs/dbraw/zinc/92/41/49/569924149.db2.gz HLPIRFZXQKBFGQ-LJQANCHMSA-N 0 0 459.055 5.607 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223814711 569924166 /nfs/dbraw/zinc/92/41/66/569924166.db2.gz XCMRAGPPBTVRKC-VWLOTQADSA-N 0 0 454.630 5.780 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccc(C)cc1 ZINC000223818457 569924213 /nfs/dbraw/zinc/92/42/13/569924213.db2.gz CZZGMSFOGCFJSA-QFIPXVFZSA-N 0 0 481.489 6.118 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223817931 569924214 /nfs/dbraw/zinc/92/42/14/569924214.db2.gz YHVMJFCJLKFTGQ-NRFANRHFSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 ZINC000223818425 569924220 /nfs/dbraw/zinc/92/42/20/569924220.db2.gz JAQNKKDXCLQJQJ-NRFANRHFSA-N 0 0 467.462 5.809 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223817418 569924222 /nfs/dbraw/zinc/92/42/22/569924222.db2.gz CIRYYNWVNAJIMN-JOCHJYFZSA-N 0 0 499.479 6.089 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223817967 569924237 /nfs/dbraw/zinc/92/42/37/569924237.db2.gz UITXCFBRPNRRRG-NRFANRHFSA-N 0 0 453.385 5.399 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223820922 569924241 /nfs/dbraw/zinc/92/42/41/569924241.db2.gz ASHSBHNKGCBYKT-QFIPXVFZSA-N 0 0 489.059 6.338 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223821546 569924246 /nfs/dbraw/zinc/92/42/46/569924246.db2.gz PDFXXNCZDQRPPJ-QGZVFWFLSA-N 0 0 463.018 5.188 40 0 JKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223820742 569924270 /nfs/dbraw/zinc/92/42/70/569924270.db2.gz HGROUYPDHUWTMK-LJQANCHMSA-N 0 0 457.014 5.318 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)ccc1Cl ZINC000223820581 569924272 /nfs/dbraw/zinc/92/42/72/569924272.db2.gz WDCLAQNLVMPJGW-KRWDZBQOSA-N 0 0 463.405 5.157 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223819825 569924279 /nfs/dbraw/zinc/92/42/79/569924279.db2.gz RZWKNOPWCDOHBI-GOSISDBHSA-N 0 0 477.432 5.629 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000223824883 569924366 /nfs/dbraw/zinc/92/43/66/569924366.db2.gz VGSOMLYCVIIQHR-UHFFFAOYSA-N 0 0 470.550 5.805 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1F ZINC000223826233 569924403 /nfs/dbraw/zinc/92/44/03/569924403.db2.gz SQOMUCYZSJEACF-QGZVFWFLSA-N 0 0 463.018 5.188 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000223826698 569924455 /nfs/dbraw/zinc/92/44/55/569924455.db2.gz YJJZSJMJOIEPRO-RRPNLBNLSA-N 0 0 483.641 5.514 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000223827353 569924459 /nfs/dbraw/zinc/92/44/59/569924459.db2.gz VQZOOXJLBYAYGC-DQEYMECFSA-N 0 0 458.562 5.587 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000223827407 569924464 /nfs/dbraw/zinc/92/44/64/569924464.db2.gz VQZOOXJLBYAYGC-RPBOFIJWSA-N 0 0 458.562 5.587 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223826604 569924467 /nfs/dbraw/zinc/92/44/67/569924467.db2.gz LZOHYGDVTUPCAB-IBGZPJMESA-N 0 0 459.055 5.358 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000223826758 569924474 /nfs/dbraw/zinc/92/44/74/569924474.db2.gz YJJZSJMJOIEPRO-KAYWLYCHSA-N 0 0 483.641 5.514 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)c(C)c2)cc1 ZINC000223830735 569924573 /nfs/dbraw/zinc/92/45/73/569924573.db2.gz WXQGRFCMTQFAOW-CLJLJLNGSA-N 0 0 489.044 6.410 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000223830827 569924575 /nfs/dbraw/zinc/92/45/75/569924575.db2.gz KGYQVJOWIWZJGM-ZEQRLZLVSA-N 0 0 476.005 5.497 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)c(C)c2)cc1 ZINC000223830357 569924589 /nfs/dbraw/zinc/92/45/89/569924589.db2.gz YAIKMKJILQPYNW-SXOMAYOGSA-N 0 0 468.626 6.065 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223829516 569924597 /nfs/dbraw/zinc/92/45/97/569924597.db2.gz IDRXZKCNAFWBHV-KRWDZBQOSA-N 0 0 495.845 5.042 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000223830941 569924602 /nfs/dbraw/zinc/92/46/02/569924602.db2.gz KGYQVJOWIWZJGM-BJKOFHAPSA-N 0 0 476.005 5.497 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000223830988 569924603 /nfs/dbraw/zinc/92/46/03/569924603.db2.gz KGYQVJOWIWZJGM-DNQXCXABSA-N 0 0 476.005 5.497 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc3ccccc3c2)cc1 ZINC000223831248 569924623 /nfs/dbraw/zinc/92/46/23/569924623.db2.gz BIMRGJUEGRMVPR-FQLXRVMXSA-N 0 0 490.632 6.601 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223831893 569924630 /nfs/dbraw/zinc/92/46/30/569924630.db2.gz UKQGVKWMCZUDFR-QGZVFWFLSA-N 0 0 479.473 5.703 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3C)o2)cc1 ZINC000223835391 569924715 /nfs/dbraw/zinc/92/47/15/569924715.db2.gz XUKDSOCPXQJPEJ-CLJLJLNGSA-N 0 0 490.028 6.879 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(Cl)cc1 ZINC000223835794 569924736 /nfs/dbraw/zinc/92/47/36/569924736.db2.gz DWBXDZZNYJSTQD-AWEZNQCLSA-N 0 0 473.853 5.433 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223839187 569924760 /nfs/dbraw/zinc/92/47/60/569924760.db2.gz ODVCNCYPSWPTQL-QGZVFWFLSA-N 0 0 467.462 5.809 40 0 JKABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1 ZINC000223840315 569924805 /nfs/dbraw/zinc/92/48/05/569924805.db2.gz MXPVHGNTFOOALT-IURUZKCNSA-N 0 0 486.568 5.402 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)OC)cc2)cc1 ZINC000223841161 569924806 /nfs/dbraw/zinc/92/48/06/569924806.db2.gz RYMMEQGYFJZIMG-CLJLJLNGSA-N 0 0 498.608 5.235 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)OC)cc2)cc1 ZINC000223841103 569924807 /nfs/dbraw/zinc/92/48/07/569924807.db2.gz RYMMEQGYFJZIMG-IZZNHLLZSA-N 0 0 498.608 5.235 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)OC)c2)cc1 ZINC000223840915 569924810 /nfs/dbraw/zinc/92/48/10/569924810.db2.gz JQTBIRHTRLVTQY-CLJLJLNGSA-N 0 0 498.608 5.235 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccccc1 ZINC000223840096 569924847 /nfs/dbraw/zinc/92/48/47/569924847.db2.gz YBCGAXUXYHLSCW-HSZRJFAPSA-N 0 0 479.448 5.876 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223841691 569924865 /nfs/dbraw/zinc/92/48/65/569924865.db2.gz UXBOQZWWPOZFQB-QHCPKHFHSA-N 0 0 463.449 5.876 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)OC)c3)o2)cc1 ZINC000223842040 569924881 /nfs/dbraw/zinc/92/48/81/569924881.db2.gz KHQWUQMVIBLAQC-FTJBHMTQSA-N 0 0 499.592 5.704 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1Cl ZINC000223842140 569924892 /nfs/dbraw/zinc/92/48/92/569924892.db2.gz DHMRNERBSLQPJW-HXUWFJFHSA-N 0 0 485.839 5.749 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223843542 569924893 /nfs/dbraw/zinc/92/48/93/569924893.db2.gz KCFKWJNRZNLCJG-QFIPXVFZSA-N 0 0 499.866 6.058 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223844241 569924924 /nfs/dbraw/zinc/92/49/24/569924924.db2.gz WCAWRYLTLQWRFM-QHCPKHFHSA-N 0 0 493.475 6.021 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223845885 569924940 /nfs/dbraw/zinc/92/49/40/569924940.db2.gz RHVZGZIJXVMPDC-HNNXBMFYSA-N 0 0 471.425 5.309 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223846210 569924998 /nfs/dbraw/zinc/92/49/98/569924998.db2.gz CDUGRNFLFJVKHS-JOCHJYFZSA-N 0 0 499.479 6.089 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223846612 569925009 /nfs/dbraw/zinc/92/50/09/569925009.db2.gz VABPHXXPACYDDU-HSZRJFAPSA-N 0 0 463.449 5.876 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(C)c1 ZINC000223852185 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AZADKXWGCLNSGT-FTJBHMTQSA-N 0 0 454.599 5.431 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccccc1 ZINC000223855024 569925229 /nfs/dbraw/zinc/92/52/29/569925229.db2.gz AZADKXWGCLNSGT-IZZNHLLZSA-N 0 0 454.599 5.431 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc(C)cc1 ZINC000223856206 569925281 /nfs/dbraw/zinc/92/52/81/569925281.db2.gz HUFAITAXIUHIEL-QFIPXVFZSA-N 0 0 481.489 6.118 40 0 JKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c2ccccc2O1 ZINC000223858894 569925345 /nfs/dbraw/zinc/92/53/45/569925345.db2.gz ZNRRIKYQENMZGM-DEOSSOPVSA-N 0 0 492.641 5.917 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223863240 569925498 /nfs/dbraw/zinc/92/54/98/569925498.db2.gz DKKKHYPJMNGJAH-KRWDZBQOSA-N 0 0 451.394 5.014 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000223866654 569925640 /nfs/dbraw/zinc/92/56/40/569925640.db2.gz KYWBULODESSTLS-UHFFFAOYSA-N 0 0 470.550 5.972 40 0 JKABRN 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BRUWBVMDPQIURT-BJKOFHAPSA-N 0 0 461.974 6.186 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223876609 569925948 /nfs/dbraw/zinc/92/59/48/569925948.db2.gz HXJCIJNYGGOFDJ-GFCCVEGCSA-N 0 0 462.204 5.396 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223876740 569925966 /nfs/dbraw/zinc/92/59/66/569925966.db2.gz VRJREYNPXDIZNO-GFCCVEGCSA-N 0 0 462.204 5.396 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223879175 569925981 /nfs/dbraw/zinc/92/59/81/569925981.db2.gz MAFRSJITPUEPFL-MRXNPFEDSA-N 0 0 453.435 5.088 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223879546 569926040 /nfs/dbraw/zinc/92/60/40/569926040.db2.gz ZSCVJPLROYPARE-CQSZACIVSA-N 0 0 473.853 5.433 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1Cl ZINC000223879485 569926065 /nfs/dbraw/zinc/92/60/65/569926065.db2.gz XVKFXJWFXKELDA-AWEZNQCLSA-N 0 0 473.853 5.433 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223880335 569926122 /nfs/dbraw/zinc/92/61/22/569926122.db2.gz OAQOWZXBNJZCST-MRXNPFEDSA-N 0 0 453.435 5.337 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000223881035 569926129 /nfs/dbraw/zinc/92/61/29/569926129.db2.gz NLXJCPVLFAYOBJ-ZDUSSCGKSA-N 0 0 491.843 5.573 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 ZINC000223883752 569926200 /nfs/dbraw/zinc/92/62/00/569926200.db2.gz HOXRIVKMKXTWNV-OALUTQOASA-N 0 0 459.438 5.149 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223884977 569926261 /nfs/dbraw/zinc/92/62/61/569926261.db2.gz CDUOFUPNQWRRBK-HNNXBMFYSA-N 0 0 471.425 5.309 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223884806 569926264 /nfs/dbraw/zinc/92/62/64/569926264.db2.gz VIWGJBCCYMWRGH-OAHLLOKOSA-N 0 0 471.425 5.309 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223884860 569926268 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CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)cc1 ZINC000223942305 569927978 /nfs/dbraw/zinc/92/79/78/569927978.db2.gz SMODGJFVSDUCQB-QFIPXVFZSA-N 0 0 465.421 5.404 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(C)c1C ZINC000223943043 569927981 /nfs/dbraw/zinc/92/79/81/569927981.db2.gz IGEOIESTPJXGFT-JOCHJYFZSA-N 0 0 479.448 5.713 40 0 JKABRN Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223943988 569927988 /nfs/dbraw/zinc/92/79/88/569927988.db2.gz NDMVFLFKYRFPBI-SVBPBHIXSA-N 0 0 499.615 5.025 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223944917 569928024 /nfs/dbraw/zinc/92/80/24/569928024.db2.gz ZJQSAEAFVLNZLB-QHCPKHFHSA-N 0 0 463.449 5.876 40 0 JKABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223944213 569928029 /nfs/dbraw/zinc/92/80/29/569928029.db2.gz ISYIQAHXAZGKGY-SVBPBHIXSA-N 0 0 499.615 5.025 40 0 JKABRN Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223943933 569928030 /nfs/dbraw/zinc/92/80/30/569928030.db2.gz NDMVFLFKYRFPBI-RRPNLBNLSA-N 0 0 499.615 5.025 40 0 JKABRN CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000223947120 569928054 /nfs/dbraw/zinc/92/80/54/569928054.db2.gz IXFFUYGPLCYDOM-UHFFFAOYSA-N 0 0 480.630 5.174 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1Cl ZINC000223947024 569928082 /nfs/dbraw/zinc/92/80/82/569928082.db2.gz VXTZLGOAKJECHI-HSZRJFAPSA-N 0 0 477.070 5.306 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223946880 569928103 /nfs/dbraw/zinc/92/81/03/569928103.db2.gz SWOUYHBQGYDBLF-RUZDIDTESA-N 0 0 470.679 5.269 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)c1C ZINC000223947200 569928111 /nfs/dbraw/zinc/92/81/11/569928111.db2.gz QWZVCLFUVULZLV-UHFFFAOYSA-N 0 0 470.594 5.917 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2C)c1 ZINC000223952843 569928203 /nfs/dbraw/zinc/92/82/03/569928203.db2.gz VLPPRIMPYLIYSI-UHFFFAOYSA-N 0 0 484.577 6.564 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223950868 569928210 /nfs/dbraw/zinc/92/82/10/569928210.db2.gz MYRUVLSWVSOMDZ-KRWDZBQOSA-N 0 0 451.394 5.014 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2C)c1 ZINC000223951089 569928240 /nfs/dbraw/zinc/92/82/40/569928240.db2.gz FMTFOULFBYXKLM-UHFFFAOYSA-N 0 0 485.609 5.651 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSCc1ccccc1 ZINC000223954833 569928278 /nfs/dbraw/zinc/92/82/78/569928278.db2.gz CCEYAHCSOOXDHH-INIZCTEOSA-N 0 0 453.435 5.170 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954540 569928287 /nfs/dbraw/zinc/92/82/87/569928287.db2.gz JMCYPOFVCJIYDM-SVBPBHIXSA-N 0 0 487.673 5.402 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223953941 569928292 /nfs/dbraw/zinc/92/82/92/569928292.db2.gz SACKONGVQSQUEE-INIZCTEOSA-N 0 0 465.421 5.223 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 ZINC000223960200 569928499 /nfs/dbraw/zinc/92/84/99/569928499.db2.gz RHWHCVOVQDZUPW-MOPGFXCFSA-N 0 0 473.421 5.041 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223961507 569928532 /nfs/dbraw/zinc/92/85/32/569928532.db2.gz CLXPHPZVNDLECL-KRWDZBQOSA-N 0 0 457.401 5.633 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1 ZINC000223962914 569928598 /nfs/dbraw/zinc/92/85/98/569928598.db2.gz SOBHXRKCGRHARC-SXOMAYOGSA-N 0 0 496.640 5.079 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1C ZINC000223963312 569928611 /nfs/dbraw/zinc/92/86/11/569928611.db2.gz QINWJBUWHFHMHW-GOSISDBHSA-N 0 0 477.432 5.465 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1 ZINC000223963028 569928657 /nfs/dbraw/zinc/92/86/57/569928657.db2.gz SOBHXRKCGRHARC-KAYWLYCHSA-N 0 0 496.640 5.079 40 0 JKABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223963131 569928661 /nfs/dbraw/zinc/92/86/61/569928661.db2.gz LDKCVJMHCFVGQH-SFHVURJKSA-N 0 0 477.432 5.465 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223964139 569928669 /nfs/dbraw/zinc/92/86/69/569928669.db2.gz OJPIUJXNRJNZMU-GFCCVEGCSA-N 0 0 462.204 5.396 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223964332 569928698 /nfs/dbraw/zinc/92/86/98/569928698.db2.gz ISRKZNADNBCEKV-LBPRGKRZSA-N 0 0 462.204 5.396 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1Cl ZINC000223965277 569928684 /nfs/dbraw/zinc/92/86/84/569928684.db2.gz AGQOSYGPPOCKOT-OAHLLOKOSA-N 0 0 483.823 5.502 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223964187 569928696 /nfs/dbraw/zinc/92/86/96/569928696.db2.gz OJPIUJXNRJNZMU-LBPRGKRZSA-N 0 0 462.204 5.396 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000223964537 569928720 /nfs/dbraw/zinc/92/87/20/569928720.db2.gz BIQOVRSFKVPTNB-GFCCVEGCSA-N 0 0 462.204 5.396 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000223965317 569928723 /nfs/dbraw/zinc/92/87/23/569928723.db2.gz ABICVUBXCASSTJ-UIOOFZCWSA-N 0 0 485.613 5.277 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223966027 569928740 /nfs/dbraw/zinc/92/87/40/569928740.db2.gz YWQGSFRERQBPPC-DQEYMECFSA-N 0 0 488.016 5.661 40 0 JKABRN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NC(C)=O)cc1 ZINC000223965930 569928747 /nfs/dbraw/zinc/92/87/47/569928747.db2.gz JSTQGGDHKVLVJJ-UIOOFZCWSA-N 0 0 483.597 5.016 40 0 JKABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(C)=O)cc1 ZINC000223965757 569928751 /nfs/dbraw/zinc/92/87/51/569928751.db2.gz JSTQGGDHKVLVJJ-CLJLJLNGSA-N 0 0 483.597 5.016 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223967053 569928797 /nfs/dbraw/zinc/92/87/97/569928797.db2.gz SUTKGYXXMXBSHW-QGZVFWFLSA-N 0 0 477.432 5.411 40 0 JKABRN CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c2ccccc2O1 ZINC000223967545 569928836 /nfs/dbraw/zinc/92/88/36/569928836.db2.gz DECDDLXNHXUJCY-QHCPKHFHSA-N 0 0 485.466 5.860 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000223969263 569928894 /nfs/dbraw/zinc/92/88/94/569928894.db2.gz UTJQJMFBRQFFLP-QDPGVEIFSA-N 0 0 472.629 5.183 40 0 JKABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223969265 569928905 /nfs/dbraw/zinc/92/89/05/569928905.db2.gz AZNPDALPENFTNR-MRXNPFEDSA-N 0 0 463.405 5.021 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccccc3)c2C)cc1 ZINC000223971788 569928987 /nfs/dbraw/zinc/92/89/87/569928987.db2.gz FMPSZYYGSPDRIW-VSGBNLITSA-N 0 0 495.652 5.684 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 ZINC000223970665 569928991 /nfs/dbraw/zinc/92/89/91/569928991.db2.gz PLJIEZQHPIJFAG-UIOOFZCWSA-N 0 0 473.646 5.751 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2C)c(C)c1 ZINC000223972460 569928994 /nfs/dbraw/zinc/92/89/94/569928994.db2.gz SVDVMONDHINLIO-UHFFFAOYSA-N 0 0 484.577 6.564 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223973342 569929007 /nfs/dbraw/zinc/92/90/07/569929007.db2.gz UVVGYNJVOBHKRZ-INIZCTEOSA-N 0 0 491.415 5.131 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223973253 569929032 /nfs/dbraw/zinc/92/90/32/569929032.db2.gz SFYBWWJILJVLSF-SANMLTNESA-N 0 0 466.666 5.649 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2C)c(C)c1 ZINC000223973006 569929051 /nfs/dbraw/zinc/92/90/51/569929051.db2.gz OISWWAFWMXXMTB-UHFFFAOYSA-N 0 0 494.657 5.519 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223974803 569929065 /nfs/dbraw/zinc/92/90/65/569929065.db2.gz VBRHPVJXXLBCAM-XMMPIXPASA-N 0 0 475.029 5.231 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223974164 569929101 /nfs/dbraw/zinc/92/91/01/569929101.db2.gz ZNAHHGOFPBGWGL-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223975031 569929109 /nfs/dbraw/zinc/92/91/09/569929109.db2.gz BEAKKOSYHLJDQI-SFHVURJKSA-N 0 0 491.459 5.972 40 0 JKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000223975085 569929141 /nfs/dbraw/zinc/92/91/41/569929141.db2.gz BEAKKOSYHLJDQI-GOSISDBHSA-N 0 0 491.459 5.972 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223976197 569929150 /nfs/dbraw/zinc/92/91/50/569929150.db2.gz XPQMDJHUFQBLEY-CQSZACIVSA-N 0 0 486.237 5.242 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223977788 569929161 /nfs/dbraw/zinc/92/91/61/569929161.db2.gz UUHYCUPZWAPCTH-VWLOTQADSA-N 0 0 468.638 5.095 40 0 JKABRN Cc1ccc(SCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223978278 569929162 /nfs/dbraw/zinc/92/91/62/569929162.db2.gz CXTYWPOYXVYBIX-QGZVFWFLSA-N 0 0 479.473 5.870 40 0 JKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223976887 569929188 /nfs/dbraw/zinc/92/91/88/569929188.db2.gz KODDMNWQLZYSKY-SFHVURJKSA-N 0 0 461.433 5.629 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223976400 569929207 /nfs/dbraw/zinc/92/92/07/569929207.db2.gz CFEJYBPNJNHHSP-AWEZNQCLSA-N 0 0 485.814 5.805 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000223978582 569929234 /nfs/dbraw/zinc/92/92/34/569929234.db2.gz LZWTWKILQOKOHK-SANMLTNESA-N 0 0 460.643 5.086 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223979044 569929236 /nfs/dbraw/zinc/92/92/36/569929236.db2.gz WBUHLXYBTCYJSI-GDLZYMKVSA-N 0 0 486.656 5.941 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccc(Cl)cc1 ZINC000223978413 569929253 /nfs/dbraw/zinc/92/92/53/569929253.db2.gz VUQKEGREVMWEJQ-OAHLLOKOSA-N 0 0 499.891 6.215 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000223978529 569929254 /nfs/dbraw/zinc/92/92/54/569929254.db2.gz LZWTWKILQOKOHK-AREMUKBSSA-N 0 0 460.643 5.086 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCSCc1ccccc1 ZINC000223978664 569929256 /nfs/dbraw/zinc/92/92/56/569929256.db2.gz SCYAPXRPYCGXTG-XMMPIXPASA-N 0 0 456.652 5.042 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223979964 569929263 /nfs/dbraw/zinc/92/92/63/569929263.db2.gz VMSIVHOYKLRAEI-HHHXNRCGSA-N 0 0 474.670 5.644 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223980022 569929295 /nfs/dbraw/zinc/92/92/95/569929295.db2.gz VMSIVHOYKLRAEI-MHZLTWQESA-N 0 0 474.670 5.644 40 0 JKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(N2Cc3ccccc3C2)nc1 ZINC000223979368 569929307 /nfs/dbraw/zinc/92/93/07/569929307.db2.gz MKLDPGVRKYGVMY-UHFFFAOYSA-N 0 0 463.050 6.054 40 0 JKABRN Cc1ccccc1Nc1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000223979912 569929315 /nfs/dbraw/zinc/92/93/15/569929315.db2.gz NXKRCROMRXEMKJ-UHFFFAOYSA-N 0 0 451.039 6.585 40 0 JKABRN Cc1nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c(Cl)cc1Br ZINC000223981050 569929358 /nfs/dbraw/zinc/92/93/58/569929358.db2.gz ZHQKDWJOHQEMBR-UHFFFAOYSA-N 0 0 456.812 5.743 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 ZINC000223983414 569929404 /nfs/dbraw/zinc/92/94/04/569929404.db2.gz HMXKFCBFVACYMP-CLJLJLNGSA-N 0 0 467.598 5.316 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223982840 569929406 /nfs/dbraw/zinc/92/94/06/569929406.db2.gz XVWUHCFULOBYBD-RPBOFIJWSA-N 0 0 459.619 5.524 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223982782 569929415 /nfs/dbraw/zinc/92/94/15/569929415.db2.gz XVWUHCFULOBYBD-DQEYMECFSA-N 0 0 459.619 5.524 40 0 JKABRN Fc1ccc(C2(CNC(=S)Nc3ccc(Nc4ccc5ccccc5c4)nc3)CCCC2)cc1 ZINC000223985063 569929423 /nfs/dbraw/zinc/92/94/23/569929423.db2.gz YEZJTKKBRQQIOF-UHFFFAOYSA-N 0 0 470.617 6.916 40 0 JKABRN Cc1c(Cl)cnc(NC(=S)NCC2(c3ccccc3)CCCCC2)c1Br ZINC000223991463 569929714 /nfs/dbraw/zinc/92/97/14/569929714.db2.gz BLMUEEUMXVVNBA-UHFFFAOYSA-N 0 0 452.849 5.994 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223984853 569929431 /nfs/dbraw/zinc/92/94/31/569929431.db2.gz QKHSZEKFEKDSTL-JWQCQUIFSA-N 0 0 471.561 5.147 40 0 JKABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1 ZINC000223985403 569929490 /nfs/dbraw/zinc/92/94/90/569929490.db2.gz DBUSCZXECOCBJM-CLJLJLNGSA-N 0 0 483.597 5.016 40 0 JKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)cc1 ZINC000223986219 569929507 /nfs/dbraw/zinc/92/95/07/569929507.db2.gz TVELUXWRBOCSAW-RRPNLBNLSA-N 0 0 497.624 5.407 40 0 JKABRN 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UTJZXWGEDHVYJQ-WJOKGBTCSA-N 0 0 496.695 6.189 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000224811137 569958643 /nfs/dbraw/zinc/95/86/43/569958643.db2.gz BPDJFSBDQWWZDM-FQEVSTJZSA-N 0 0 473.082 5.830 40 0 JKABRN CCOc1ccc(C(=O)Nc2cccc3ccccc32)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224811511 569958652 /nfs/dbraw/zinc/95/86/52/569958652.db2.gz YAAYEVGZBJRETP-UHFFFAOYSA-N 0 0 474.582 5.312 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224813199 569958680 /nfs/dbraw/zinc/95/86/80/569958680.db2.gz SDFKHYJVJLUICV-NDEPHWFRSA-N 0 0 472.629 5.101 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c(OC)c1 ZINC000224813950 569958729 /nfs/dbraw/zinc/95/87/29/569958729.db2.gz YDZKISUTVGVQIX-CLJLJLNGSA-N 0 0 470.598 5.375 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)c(OC)c1 ZINC000224813553 569958739 /nfs/dbraw/zinc/95/87/39/569958739.db2.gz ASXHQMYLBJPNEQ-JWQCQUIFSA-N 0 0 462.619 5.583 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)c(OC)c1 ZINC000224814150 569958755 /nfs/dbraw/zinc/95/87/55/569958755.db2.gz NVGRSJQSUYXSKY-CLJLJLNGSA-N 0 0 470.598 5.375 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)c(OC)c1 ZINC000224814067 569958770 /nfs/dbraw/zinc/95/87/70/569958770.db2.gz NVGRSJQSUYXSKY-FTJBHMTQSA-N 0 0 470.598 5.375 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000224814494 569958801 /nfs/dbraw/zinc/95/88/01/569958801.db2.gz YPLZAKRXONHQLK-SFHVURJKSA-N 0 0 461.433 5.792 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000224814543 569958836 /nfs/dbraw/zinc/95/88/36/569958836.db2.gz YPLZAKRXONHQLK-GOSISDBHSA-N 0 0 461.433 5.792 40 0 JKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224815624 569958863 /nfs/dbraw/zinc/95/88/63/569958863.db2.gz YRWQVADQPYVJBB-PMERELPUSA-N 0 0 484.684 6.216 40 0 JKABRN Cc1ccccc1CN(C(=O)COc1cccc(C)c1C)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224815411 569958871 /nfs/dbraw/zinc/95/88/71/569958871.db2.gz GBDBHZBJVDSSCK-GDLZYMKVSA-N 0 0 498.667 5.690 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c(C)c1 ZINC000224815475 569958888 /nfs/dbraw/zinc/95/88/88/569958888.db2.gz MLRWPHBVFOGDJY-LJAQVGFWSA-N 0 0 498.667 5.690 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224815557 569958892 /nfs/dbraw/zinc/95/88/92/569958892.db2.gz DGTDNXAGCQMNBX-GDLZYMKVSA-N 0 0 470.657 5.655 40 0 JKABRN COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)cc1 ZINC000224815822 569958901 /nfs/dbraw/zinc/95/89/01/569958901.db2.gz UBUFXMHQQIJBQY-FTJBHMTQSA-N 0 0 486.597 5.075 40 0 JKABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)cc1 ZINC000224815865 569958912 /nfs/dbraw/zinc/95/89/12/569958912.db2.gz UBUFXMHQQIJBQY-IZZNHLLZSA-N 0 0 486.597 5.075 40 0 JKABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1 ZINC000224815665 569958913 /nfs/dbraw/zinc/95/89/13/569958913.db2.gz FHOGGPBPZUIUIK-IZZNHLLZSA-N 0 0 486.597 5.075 40 0 JKABRN Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224816666 569958944 /nfs/dbraw/zinc/95/89/44/569958944.db2.gz XFJGJUNVLUNUOU-LJAQVGFWSA-N 0 0 468.641 5.545 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224816530 569958948 /nfs/dbraw/zinc/95/89/48/569958948.db2.gz IWBYAMDKJGDPLY-FQEVSTJZSA-N 0 0 473.082 5.748 40 0 JKABRN CCCCc1ccc(NC(=O)c2ccc(OCC)c(CN(C)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224817602 569958963 /nfs/dbraw/zinc/95/89/63/569958963.db2.gz WRHZVZMRQGBQHV-UHFFFAOYSA-N 0 0 480.630 5.501 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)c(C)c1 ZINC000224817482 569958968 /nfs/dbraw/zinc/95/89/68/569958968.db2.gz XIMHLSGJHNHPRF-FQEVSTJZSA-N 0 0 457.014 5.202 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)c(OC)c1 ZINC000224817609 569958976 /nfs/dbraw/zinc/95/89/76/569958976.db2.gz FMCITUUGDYUYJY-BJKOFHAPSA-N 0 0 492.004 5.115 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(Cl)c1 ZINC000224816840 569958986 /nfs/dbraw/zinc/95/89/86/569958986.db2.gz JIDBBBIFHHUKLB-KRWDZBQOSA-N 0 0 463.405 5.238 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)c(C)c2)c(OC)c1 ZINC000224817199 569958997 /nfs/dbraw/zinc/95/89/97/569958997.db2.gz LTMPAHOIMJERRY-SXOMAYOGSA-N 0 0 484.625 5.683 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000224817206 569958998 /nfs/dbraw/zinc/95/89/98/569958998.db2.gz DEXZFHYIPPISFA-HXUWFJFHSA-N 0 0 485.068 5.883 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)c(OC)c1 ZINC000224818204 569959015 /nfs/dbraw/zinc/95/90/15/569959015.db2.gz BLGCOOLWKRQNHG-LOSJGSFVSA-N 0 0 489.622 6.020 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224820033 569959078 /nfs/dbraw/zinc/95/90/78/569959078.db2.gz PWFCGQYHAAGRKZ-SANMLTNESA-N 0 0 497.466 6.009 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224819807 569959085 /nfs/dbraw/zinc/95/90/85/569959085.db2.gz FWHKPKMPFZHMBO-SANMLTNESA-N 0 0 463.021 5.356 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224820642 569959132 /nfs/dbraw/zinc/95/91/32/569959132.db2.gz MTKCYORDZLXSFR-MUUNZHRXSA-N 0 0 456.630 5.319 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224820144 569959166 /nfs/dbraw/zinc/95/91/66/569959166.db2.gz FRGKQEUBDHJKQV-SANMLTNESA-N 0 0 481.011 5.495 40 0 JKABRN Cc1cc(C)cc(CSCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224820332 569959170 /nfs/dbraw/zinc/95/91/70/569959170.db2.gz GPLZSVDLMKROPZ-NRFANRHFSA-N 0 0 470.654 5.542 40 0 JKABRN Cc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224821811 569959217 /nfs/dbraw/zinc/95/92/17/569959217.db2.gz VPNFHBRRSYAAOZ-AREMUKBSSA-N 0 0 495.088 5.905 40 0 JKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224822087 569959219 /nfs/dbraw/zinc/95/92/19/569959219.db2.gz UBYMCLCZTKZJEP-MUUNZHRXSA-N 0 0 488.697 5.701 40 0 JKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224823277 569959242 /nfs/dbraw/zinc/95/92/42/569959242.db2.gz MYMRVNVDBACXFH-UHFFFAOYSA-N 0 0 487.021 5.429 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2c(C)c(C)n(-c3ccccc3)c2C)c(OC)c1 ZINC000224824308 569959268 /nfs/dbraw/zinc/95/92/68/569959268.db2.gz DHZIRXNCNLYVND-NSOVKSMOSA-N 0 0 498.652 5.992 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c(OC)c1 ZINC000224823596 569959273 /nfs/dbraw/zinc/95/92/73/569959273.db2.gz HBQFOXHQTCKYNE-LOSJGSFVSA-N 0 0 456.571 5.067 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c(OC)c1 ZINC000224823312 569959287 /nfs/dbraw/zinc/95/92/87/569959287.db2.gz AXOWXBKSLDJPMD-DQEYMECFSA-N 0 0 462.619 5.583 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2c(C)c(C)n(-c3ccccc3)c2C)c(OC)c1 ZINC000224824396 569959348 /nfs/dbraw/zinc/95/93/48/569959348.db2.gz DHZIRXNCNLYVND-WUFINQPMSA-N 0 0 498.652 5.992 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)c1 ZINC000224827942 569959463 /nfs/dbraw/zinc/95/94/63/569959463.db2.gz MSMWDDLSTCRUEA-RBUKOAKNSA-N 0 0 476.421 5.100 40 0 JKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224828264 569959471 /nfs/dbraw/zinc/95/94/71/569959471.db2.gz KWSCBYMVEIAFQT-UHFFFAOYSA-N 0 0 480.630 5.392 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)c1 ZINC000224830541 569959501 /nfs/dbraw/zinc/95/95/01/569959501.db2.gz KOPNYJYCOYQHDD-RRPNLBNLSA-N 0 0 499.640 5.138 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)c1 ZINC000224830582 569959505 /nfs/dbraw/zinc/95/95/05/569959505.db2.gz KOPNYJYCOYQHDD-KAYWLYCHSA-N 0 0 499.640 5.138 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)c1 ZINC000224830289 569959526 /nfs/dbraw/zinc/95/95/26/569959526.db2.gz HUMRFJDXMWWENE-SXOMAYOGSA-N 0 0 499.640 5.138 40 0 JKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224831059 569959534 /nfs/dbraw/zinc/95/95/34/569959534.db2.gz XXBQYTDXVBGFNX-UHFFFAOYSA-N 0 0 479.042 5.012 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccncc3)c2C)c1 ZINC000224830495 569959542 /nfs/dbraw/zinc/95/95/42/569959542.db2.gz KOPNYJYCOYQHDD-SXOMAYOGSA-N 0 0 499.640 5.138 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224832784 569959580 /nfs/dbraw/zinc/95/95/80/569959580.db2.gz SJRJXUKOKVQBNC-UHFFFAOYSA-N 0 0 487.021 5.374 40 0 JKABRN Cc1cccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224832758 569959581 /nfs/dbraw/zinc/95/95/81/569959581.db2.gz ONNGKHFJMHVRPI-PMERELPUSA-N 0 0 498.667 5.690 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224834362 569959608 /nfs/dbraw/zinc/95/96/08/569959608.db2.gz CCRYKIPCTRBEDU-UHFFFAOYSA-N 0 0 494.947 5.090 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccccc1 ZINC000224833683 569959618 /nfs/dbraw/zinc/95/96/18/569959618.db2.gz DJHADBNQDFUKBS-HSZRJFAPSA-N 0 0 479.448 5.732 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)c1 ZINC000224833298 569959641 /nfs/dbraw/zinc/95/96/41/569959641.db2.gz JESHWEGHGNOUTC-IZZNHLLZSA-N 0 0 470.598 5.375 40 0 JKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224833294 569959648 /nfs/dbraw/zinc/95/96/48/569959648.db2.gz DGHNMAKDAQNSCY-UHFFFAOYSA-N 0 0 493.412 5.465 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)c1 ZINC000224833250 569959656 /nfs/dbraw/zinc/95/96/56/569959656.db2.gz JESHWEGHGNOUTC-FTJBHMTQSA-N 0 0 470.598 5.375 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224835611 569959706 /nfs/dbraw/zinc/95/97/06/569959706.db2.gz LXWAKBAPLPHNLW-PMERELPUSA-N 0 0 498.667 5.635 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224837601 569959732 /nfs/dbraw/zinc/95/97/32/569959732.db2.gz GCENMLITMKFSGL-NDEPHWFRSA-N 0 0 456.630 5.319 40 0 JKABRN Cc1ccc(CN(C(=O)CCCOc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224836722 569959751 /nfs/dbraw/zinc/95/97/51/569959751.db2.gz GATVJYUQCMXDLH-NDEPHWFRSA-N 0 0 472.629 5.319 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(OC)cc1 ZINC000224838787 569959795 /nfs/dbraw/zinc/95/97/95/569959795.db2.gz JBPKVXNQOFJALS-JOCHJYFZSA-N 0 0 465.421 5.124 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224839617 569959824 /nfs/dbraw/zinc/95/98/24/569959824.db2.gz VYNCGEGGTZXINK-LJAQVGFWSA-N 0 0 486.656 5.662 40 0 JKABRN Cc1ccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224839446 569959827 /nfs/dbraw/zinc/95/98/27/569959827.db2.gz GTXTXPIEQRJTKP-HHHXNRCGSA-N 0 0 472.629 5.155 40 0 JKABRN Cc1ccc(CN(C(=O)CSCc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224841010 569959857 /nfs/dbraw/zinc/95/98/57/569959857.db2.gz WSVISBQKONIXQY-HHHXNRCGSA-N 0 0 492.660 5.532 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 ZINC000224840778 569959865 /nfs/dbraw/zinc/95/98/65/569959865.db2.gz IRLXLCQLBPUBFC-FQEVSTJZSA-N 0 0 456.627 5.315 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc21 ZINC000224839814 569959866 /nfs/dbraw/zinc/95/98/66/569959866.db2.gz DZDCLROEADYYAF-FQEVSTJZSA-N 0 0 462.565 5.224 40 0 JKABRN Cc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224841361 569959920 /nfs/dbraw/zinc/95/99/20/569959920.db2.gz CQTUUKJSMCDZMN-MUUNZHRXSA-N 0 0 488.603 5.212 40 0 JKABRN COCc1cccc(NC(=O)c2ccc(CN(c3ccccc3C(C)C)S(C)(=O)=O)cc2)c1 ZINC000224842012 569959936 /nfs/dbraw/zinc/95/99/36/569959936.db2.gz BNYADEASEQRUCB-UHFFFAOYSA-N 0 0 466.603 5.175 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224842185 569959940 /nfs/dbraw/zinc/95/99/40/569959940.db2.gz MDGNNPZOGPZEQD-NDEPHWFRSA-N 0 0 489.059 5.890 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224843048 569959958 /nfs/dbraw/zinc/95/99/58/569959958.db2.gz QLILOCMVYJZUQQ-PMERELPUSA-N 0 0 482.668 5.853 40 0 JKABRN Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224842985 569960015 /nfs/dbraw/zinc/96/00/15/569960015.db2.gz MXDZACOJKDMUEP-GDLZYMKVSA-N 0 0 468.641 5.545 40 0 JKABRN Cc1ccc(CN(C(=O)CSCc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224844423 569960038 /nfs/dbraw/zinc/96/00/38/569960038.db2.gz UVKBXINIUFWBBE-HHHXNRCGSA-N 0 0 492.660 5.532 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(F)cccc1Cl ZINC000224844972 569960076 /nfs/dbraw/zinc/96/00/76/569960076.db2.gz QKCMLKMRFKULAR-OAQYLSRUSA-N 0 0 487.830 5.908 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000224844519 569960081 /nfs/dbraw/zinc/96/00/81/569960081.db2.gz NOFJONIUCMSCOA-KRWDZBQOSA-N 0 0 467.462 5.809 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1F ZINC000224845800 569960100 /nfs/dbraw/zinc/96/01/00/569960100.db2.gz YOVYJEILEUHDRF-GOSISDBHSA-N 0 0 460.590 5.064 40 0 JKABRN Cc1ccc(CN(C(=O)CCc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224845819 569960105 /nfs/dbraw/zinc/96/01/05/569960105.db2.gz SLGBRMVFANGMHU-GDLZYMKVSA-N 0 0 468.641 5.627 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224846273 569960158 /nfs/dbraw/zinc/96/01/58/569960158.db2.gz WDSOGHUEFAATAP-AREMUKBSSA-N 0 0 463.021 5.356 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)c1 ZINC000224846173 569960169 /nfs/dbraw/zinc/96/01/69/569960169.db2.gz LZCNMQXXHSRQAQ-JWQCQUIFSA-N 0 0 462.619 5.583 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000224847681 569960208 /nfs/dbraw/zinc/96/02/08/569960208.db2.gz HIBRSVSBTNQENJ-MRXNPFEDSA-N 0 0 465.396 5.541 40 0 JKABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 ZINC000224847464 569960214 /nfs/dbraw/zinc/96/02/14/569960214.db2.gz IEUZOQUBRAGVPY-QFIPXVFZSA-N 0 0 481.489 6.055 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)c(C)c2)c1 ZINC000224849690 569960272 /nfs/dbraw/zinc/96/02/72/569960272.db2.gz NJHOYZBTFKYVQF-KAYWLYCHSA-N 0 0 484.625 5.683 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000224848592 569960305 /nfs/dbraw/zinc/96/03/05/569960305.db2.gz NBNNQZILEDQTJX-MRXNPFEDSA-N 0 0 497.850 5.892 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)c1 ZINC000224850847 569960374 /nfs/dbraw/zinc/96/03/74/569960374.db2.gz QCWVAIJFOGJYPE-DQEYMECFSA-N 0 0 457.555 5.536 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 ZINC000224855575 569960420 /nfs/dbraw/zinc/96/04/20/569960420.db2.gz LNSZIVUXIOFONP-RPBOFIJWSA-N 0 0 456.571 5.067 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224857770 569960465 /nfs/dbraw/zinc/96/04/65/569960465.db2.gz GZQQJDLRUBTTGT-NDEPHWFRSA-N 0 0 489.059 5.890 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 ZINC000224857702 569960479 /nfs/dbraw/zinc/96/04/79/569960479.db2.gz UDGSZJDMHVJIKT-RUZDIDTESA-N 0 0 494.657 5.392 40 0 JKABRN Cc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224858497 569960493 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ONGIEWLSKJDTKD-RPBOFIJWSA-N 0 0 490.032 5.479 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224861272 569960588 /nfs/dbraw/zinc/96/05/88/569960588.db2.gz FWHBWKSWOSSVSF-SSEXGKCCSA-N 0 0 498.667 5.635 40 0 JKABRN CCc1ccc(CC)c(CNC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224860060 569960605 /nfs/dbraw/zinc/96/06/05/569960605.db2.gz WHKLVSWVPKJUOJ-UHFFFAOYSA-N 0 0 478.658 5.194 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224861223 569960607 /nfs/dbraw/zinc/96/06/07/569960607.db2.gz FWHBWKSWOSSVSF-PMERELPUSA-N 0 0 498.667 5.635 40 0 JKABRN Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224863812 569960705 /nfs/dbraw/zinc/96/07/05/569960705.db2.gz OKEYMPXEYHJSOV-GOTSBHOMSA-N 0 0 481.408 6.062 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224863334 569960676 /nfs/dbraw/zinc/96/06/76/569960676.db2.gz ZRRVORYIPYXSDX-WJOKGBTCSA-N 0 0 496.695 6.189 40 0 JKABRN Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000224863506 569960687 /nfs/dbraw/zinc/96/06/87/569960687.db2.gz GXNVABJEPWCWOS-PKTZIBPZSA-N 0 0 499.398 6.201 40 0 JKABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 ZINC000224864203 569960725 /nfs/dbraw/zinc/96/07/25/569960725.db2.gz IISQDSYKTWVTJI-RPWUZVMVSA-N 0 0 460.990 5.717 40 0 JKABRN Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224863883 569960750 /nfs/dbraw/zinc/96/07/50/569960750.db2.gz OKEYMPXEYHJSOV-XZOQPEGZSA-N 0 0 481.408 6.062 40 0 JKABRN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000224865292 569960763 /nfs/dbraw/zinc/96/07/63/569960763.db2.gz SSSFETXUOYNEPT-INIZCTEOSA-N 0 0 494.491 5.171 40 0 JKABRN Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1C ZINC000224865465 569960792 /nfs/dbraw/zinc/96/07/92/569960792.db2.gz GDMGFSIEXKKOAM-HHHXNRCGSA-N 0 0 477.048 5.664 40 0 JKABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)n1-c1cccnc1 ZINC000224864905 569960814 /nfs/dbraw/zinc/96/08/14/569960814.db2.gz FWSZFVHHXKACQD-PKTZIBPZSA-N 0 0 461.978 5.112 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C1CCCC1 ZINC000224866956 569960834 /nfs/dbraw/zinc/96/08/34/569960834.db2.gz WJLRFKQCISIQNL-BJKOFHAPSA-N 0 0 467.038 6.151 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000224867139 569960851 /nfs/dbraw/zinc/96/08/51/569960851.db2.gz PCXMAUFGMILHJK-HSZRJFAPSA-N 0 0 479.448 5.569 40 0 JKABRN Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000224866112 569960855 /nfs/dbraw/zinc/96/08/55/569960855.db2.gz HLFOQJBNAOACIF-UHFFFAOYSA-N 0 0 478.492 5.112 40 0 JKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 ZINC000224866584 569960863 /nfs/dbraw/zinc/96/08/63/569960863.db2.gz NJENIOLPQQDZST-GOSISDBHSA-N 0 0 484.584 5.618 40 0 JKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C1CCCC1 ZINC000224866878 569960878 /nfs/dbraw/zinc/96/08/78/569960878.db2.gz WJLRFKQCISIQNL-DNQXCXABSA-N 0 0 467.038 6.151 40 0 JKABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000224867286 569960894 /nfs/dbraw/zinc/96/08/94/569960894.db2.gz MBBGRUABGGKJHM-DEOSSOPVSA-N 0 0 493.475 6.040 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1Cc1ccccc1 ZINC000224867642 569960909 /nfs/dbraw/zinc/96/09/09/569960909.db2.gz KSOMKKBKTIHBPH-FTJBHMTQSA-N 0 0 489.044 6.084 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224867987 569960936 /nfs/dbraw/zinc/96/09/36/569960936.db2.gz URRRMXKJWOIJNU-GDLZYMKVSA-N 0 0 468.641 5.545 40 0 JKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224870695 569961038 /nfs/dbraw/zinc/96/10/38/569961038.db2.gz KEGWOXJEVAHCJE-IBGZPJMESA-N 0 0 475.460 6.019 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000224870090 569961050 /nfs/dbraw/zinc/96/10/50/569961050.db2.gz BXNQPQIUDSEBIZ-XMMPIXPASA-N 0 0 493.475 6.075 40 0 JKABRN CCCC[C@@H](CC)CNC(=O)CCCN(c1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O ZINC000224872086 569961109 /nfs/dbraw/zinc/96/11/09/569961109.db2.gz ABXHENYFILLOHW-HXUWFJFHSA-N 0 0 495.085 6.011 40 0 JKABRN COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Sc3ccccc3)o2)c(OC)c1 ZINC000224872068 569961117 /nfs/dbraw/zinc/96/11/17/569961117.db2.gz QBSHKBHUBNCROU-UHFFFAOYSA-N 0 0 460.555 6.081 40 0 JKABRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000224872958 569961162 /nfs/dbraw/zinc/96/11/62/569961162.db2.gz DEJNJVUHVZKRSS-VWLOTQADSA-N 0 0 482.983 5.023 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl ZINC000224873724 569961193 /nfs/dbraw/zinc/96/11/93/569961193.db2.gz ZQNYBTMPAMNKKE-JOCHJYFZSA-N 0 0 483.867 6.159 40 0 JKABRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1 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/nfs/dbraw/zinc/99/03/38/569990338.db2.gz TWTXSZVSQYFRIH-FTJBHMTQSA-N 0 0 489.645 5.532 40 0 JKABRN Cc1ccc(C)c(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000408643675 569990345 /nfs/dbraw/zinc/99/03/45/569990345.db2.gz BIQPRVDKBRFKPZ-UHFFFAOYSA-N 0 0 479.363 6.621 40 0 JKABRN COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000408643577 569990348 /nfs/dbraw/zinc/99/03/48/569990348.db2.gz BVGDVRLVLQOGGT-UHFFFAOYSA-N 0 0 476.529 5.005 40 0 JKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1Cl ZINC000225324363 569990370 /nfs/dbraw/zinc/99/03/70/569990370.db2.gz JRKVJZDMXAYPMC-DEOSSOPVSA-N 0 0 457.014 5.147 40 0 JKABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000225324148 569990392 /nfs/dbraw/zinc/99/03/92/569990392.db2.gz WTDGHSXDRXICHZ-FQEVSTJZSA-N 0 0 455.813 5.523 40 0 JKABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000225325395 569990451 /nfs/dbraw/zinc/99/04/51/569990451.db2.gz AVAKJTRWDIGLID-QHCPKHFHSA-N 0 0 495.447 5.495 40 0 JKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000225324776 569990456 /nfs/dbraw/zinc/99/04/56/569990456.db2.gz RWPMRJQAENGJOC-DEOSSOPVSA-N 0 0 491.459 5.801 40 0 JKABRN Cc1cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc(C)c1Br ZINC000408644021 569990492 /nfs/dbraw/zinc/99/04/92/569990492.db2.gz DFIBXOGUEWKFJZ-UHFFFAOYSA-N 0 0 489.193 5.714 40 0 JKABRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)c1 ZINC000408644037 569990499 /nfs/dbraw/zinc/99/04/99/569990499.db2.gz QPELUQYMTIVSPW-JTHBVZDNSA-N 0 0 456.586 6.459 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)c(C)c1 ZINC000408643954 569990501 /nfs/dbraw/zinc/99/05/01/569990501.db2.gz CXIKOSMZMWPQJM-UHFFFAOYSA-N 0 0 488.584 6.003 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408643868 569990515 /nfs/dbraw/zinc/99/05/15/569990515.db2.gz CNDGZNRACCMMOQ-UHFFFAOYSA-N 0 0 482.920 5.042 40 0 JKABRN COc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408643946 569990529 /nfs/dbraw/zinc/99/05/29/569990529.db2.gz CVXAWZYRWSQSMB-UHFFFAOYSA-N 0 0 496.947 5.350 40 0 JKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c2ccccc2O1 ZINC000225327379 569990558 /nfs/dbraw/zinc/99/05/58/569990558.db2.gz HIQXEHAQSVXYJX-VWLOTQADSA-N 0 0 492.641 5.465 40 0 JKABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000225327112 569990560 /nfs/dbraw/zinc/99/05/60/569990560.db2.gz PBLJBCWIFKUANN-NRFANRHFSA-N 0 0 499.866 5.976 40 0 JKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)ccc1C ZINC000225327407 569990573 /nfs/dbraw/zinc/99/05/73/569990573.db2.gz GXUNHJYBZIOBEQ-OAQYLSRUSA-N 0 0 465.421 5.323 40 0 JKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(CC)cc1 ZINC000225327481 569990579 /nfs/dbraw/zinc/99/05/79/569990579.db2.gz RTFNVTQVXBDVKZ-JOCHJYFZSA-N 0 0 465.421 5.268 40 0 JKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000225327161 569990581 /nfs/dbraw/zinc/99/05/81/569990581.db2.gz VDJVCKXOZHUSDE-HSZRJFAPSA-N 0 0 493.475 6.003 40 0 JKABRN CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1 ZINC000408644199 569990594 /nfs/dbraw/zinc/99/05/94/569990594.db2.gz FCZZCIUYSXDYCR-UHFFFAOYSA-N 0 0 488.584 5.949 40 0 JKABRN CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Oc2c(C)cccc2C)cc1 ZINC000408644100 569990621 /nfs/dbraw/zinc/99/06/21/569990621.db2.gz CZEKAAZPPAJGGI-UHFFFAOYSA-N 0 0 474.557 5.559 40 0 JKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 ZINC000225329610 569990657 /nfs/dbraw/zinc/99/06/57/569990657.db2.gz PNGOYDIXXDCGOH-HSZRJFAPSA-N 0 0 463.449 5.822 40 0 JKABRN O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000225329346 569990659 /nfs/dbraw/zinc/99/06/59/569990659.db2.gz KBUWZOSWUGQEFV-UHFFFAOYSA-N 0 0 455.407 5.129 40 0 JKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000225330648 569990663 /nfs/dbraw/zinc/99/06/63/569990663.db2.gz NAONSCJOAJMOIW-OAQYLSRUSA-N 0 0 469.840 5.913 40 0 JKABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 ZINC000225329648 569990664 /nfs/dbraw/zinc/99/06/64/569990664.db2.gz PNGOYDIXXDCGOH-QHCPKHFHSA-N 0 0 463.449 5.822 40 0 JKABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225329739 569990677 /nfs/dbraw/zinc/99/06/77/569990677.db2.gz APIHJMDZFUSRJA-DEOSSOPVSA-N 0 0 477.476 6.383 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 ZINC000225331168 569990686 /nfs/dbraw/zinc/99/06/86/569990686.db2.gz PWXSNLALCVRZTA-AREMUKBSSA-N 0 0 494.657 5.392 40 0 JKABRN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)cc1 ZINC000408644378 569990689 /nfs/dbraw/zinc/99/06/89/569990689.db2.gz SUIFWJODKYAYKZ-HSZRJFAPSA-N 0 0 450.538 6.186 40 0 JKABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1cccc(C)c1 ZINC000225332423 569990733 /nfs/dbraw/zinc/99/07/33/569990733.db2.gz SPKVMDCZRDSWPQ-QFIPXVFZSA-N 0 0 481.489 5.869 40 0 JKABRN Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)c2)c(C)c1 ZINC000408644291 569990738 /nfs/dbraw/zinc/99/07/38/569990738.db2.gz SIVYFNJFXJFYTR-QFIPXVFZSA-N 0 0 455.558 5.164 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1NC(C)=O ZINC000225331921 569990758 /nfs/dbraw/zinc/99/07/58/569990758.db2.gz RFWMYCYAKXVOTL-DQEYMECFSA-N 0 0 475.618 5.142 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccccc1 ZINC000225332424 569990759 /nfs/dbraw/zinc/99/07/59/569990759.db2.gz GDVNVIONRUYWOG-MSOLQXFVSA-N 0 0 465.421 5.484 40 0 JKABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000225332347 569990765 /nfs/dbraw/zinc/99/07/65/569990765.db2.gz GHVSMZDLNPTIJH-GDLZYMKVSA-N 0 0 486.656 5.547 40 0 JKABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000225331456 569990771 /nfs/dbraw/zinc/99/07/71/569990771.db2.gz AAJHYQDGOZJRFT-HHHXNRCGSA-N 0 0 477.048 5.747 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000225332320 569990779 /nfs/dbraw/zinc/99/07/79/569990779.db2.gz WQCIUPDFXLFMLQ-MSOLQXFVSA-N 0 0 465.421 5.321 40 0 JKABRN Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 ZINC000408644540 569990794 /nfs/dbraw/zinc/99/07/94/569990794.db2.gz GOROMJSIWDJEDI-UHFFFAOYSA-N 0 0 480.948 5.650 40 0 JKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000225333165 569990814 /nfs/dbraw/zinc/99/08/14/569990814.db2.gz RPHQYPATFTUTKZ-HXUWFJFHSA-N 0 0 455.813 5.523 40 0 JKABRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000408644504 569990823 /nfs/dbraw/zinc/99/08/23/569990823.db2.gz GYNIJIYXOLOQIT-KFKAGJAMSA-N 0 0 487.383 5.106 40 0 JKABRN Cc1cc(C)cc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000408644457 569990836 /nfs/dbraw/zinc/99/08/36/569990836.db2.gz FWHDRSLEIAKDPX-UHFFFAOYSA-N 0 0 494.975 6.040 40 0 JKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000225332541 569990873 /nfs/dbraw/zinc/99/08/73/569990873.db2.gz JWTALWIWMCRHGF-HXUWFJFHSA-N 0 0 471.812 5.359 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1Cl ZINC000225333948 569990921 /nfs/dbraw/zinc/99/09/21/569990921.db2.gz KPCMYRJLXLCTJQ-GJZGRUSLSA-N 0 0 471.812 5.358 40 0 JKABRN CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000225334871 569990930 /nfs/dbraw/zinc/99/09/30/569990930.db2.gz NKENIAGZDHJFAK-JOCHJYFZSA-N 0 0 481.489 5.869 40 0 JKABRN CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1 ZINC000225334724 569990938 /nfs/dbraw/zinc/99/09/38/569990938.db2.gz SJIUHHLUAUCMDP-NRFANRHFSA-N 0 0 467.462 5.560 40 0 JKABRN CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000225334035 569990952 /nfs/dbraw/zinc/99/09/52/569990952.db2.gz WWTJCPBWSMPPQG-HXUWFJFHSA-N 0 0 471.812 5.359 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1Cl ZINC000225333875 569990959 /nfs/dbraw/zinc/99/09/59/569990959.db2.gz KPCMYRJLXLCTJQ-LSDHHAIUSA-N 0 0 471.812 5.358 40 0 JKABRN CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 ZINC000225334444 569990963 /nfs/dbraw/zinc/99/09/63/569990963.db2.gz DMTYQKOZBWVYQM-HXUWFJFHSA-N 0 0 453.435 5.419 40 0 JKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000408644753 569990997 /nfs/dbraw/zinc/99/09/97/569990997.db2.gz RQYSEMHGKAXAMN-QGZVFWFLSA-N 0 0 465.347 5.541 40 0 JKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc5ccccc54)C3)cc2)cc1C ZINC000408644776 569991004 /nfs/dbraw/zinc/99/10/04/569991004.db2.gz SYBULXAHRLHWRQ-QFIPXVFZSA-N 0 0 450.538 6.241 40 0 JKABRN COc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccccc3C)cc2)cc1 ZINC000408644783 569991020 /nfs/dbraw/zinc/99/10/20/569991020.db2.gz HKMPKLPLMSTWRN-UHFFFAOYSA-N 0 0 476.529 5.087 40 0 JKABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 ZINC000225335191 569991058 /nfs/dbraw/zinc/99/10/58/569991058.db2.gz WTPWKUBUJVWUSV-UXHICEINSA-N 0 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/nfs/dbraw/zinc/00/37/78/570003778.db2.gz IRHNNKNDPJHNAM-CLJLJLNGSA-N 0 0 473.646 5.390 40 0 JKABRN Cc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000408665297 570003839 /nfs/dbraw/zinc/00/38/39/570003839.db2.gz LFNXRYQHSWHAEC-VAXXYWNWSA-N 0 0 451.563 5.408 40 0 JKABRN COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000408665347 570003842 /nfs/dbraw/zinc/00/38/42/570003842.db2.gz LKJKMPQXRIYFPP-UHFFFAOYSA-N 0 0 482.920 5.042 40 0 JKABRN Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3c(C)cccc3C)cc2)c1 ZINC000408665474 570003939 /nfs/dbraw/zinc/00/39/39/570003939.db2.gz LZIRSPPPKMYOSG-UHFFFAOYSA-N 0 0 474.557 5.695 40 0 JKABRN O=C(COC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000408665689 570004069 /nfs/dbraw/zinc/00/40/69/570004069.db2.gz VUGWQPXZRZEQEQ-UHFFFAOYSA-N 0 0 470.447 5.332 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000225541610 570004084 /nfs/dbraw/zinc/00/40/84/570004084.db2.gz GXGVMTGRKWAQLH-YADHBBJMSA-N 0 0 471.051 5.360 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)s1 ZINC000225541482 570004121 /nfs/dbraw/zinc/00/41/21/570004121.db2.gz GCTARFVFBQHOSU-GOTSBHOMSA-N 0 0 450.633 5.015 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225543530 570004257 /nfs/dbraw/zinc/00/42/57/570004257.db2.gz QPCWYSMPLXLUAZ-NDEPHWFRSA-N 0 0 456.630 5.437 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 ZINC000225542921 570004260 /nfs/dbraw/zinc/00/42/60/570004260.db2.gz FLMFCNPGBBTFHY-LOSJGSFVSA-N 0 0 461.635 5.028 40 0 JKABRN CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000408666071 570004404 /nfs/dbraw/zinc/00/44/04/570004404.db2.gz NOYQKXQAHYGSAV-UHFFFAOYSA-N 0 0 474.557 5.640 40 0 JKABRN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000408666183 570004492 /nfs/dbraw/zinc/00/44/92/570004492.db2.gz GNVCSNAEFGSZNQ-UHFFFAOYSA-N 0 0 484.861 6.370 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000408666247 570004519 /nfs/dbraw/zinc/00/45/19/570004519.db2.gz XSRNCCJXHQBBLA-UHFFFAOYSA-N 0 0 450.922 5.275 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Oc2ccccc2C)cc1 ZINC000408666323 570004618 /nfs/dbraw/zinc/00/46/18/570004618.db2.gz HHXJLEKRWUUYRD-UHFFFAOYSA-N 0 0 496.947 5.350 40 0 JKABRN O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225546789 570004648 /nfs/dbraw/zinc/00/46/48/570004648.db2.gz YKKXLTWSOCPTBQ-IBGZPJMESA-N 0 0 454.979 5.046 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CC)c1C ZINC000225547068 570004654 /nfs/dbraw/zinc/00/46/54/570004654.db2.gz JGRROJAWAKZJCM-IZZNHLLZSA-N 0 0 475.662 5.084 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000225547222 570004660 /nfs/dbraw/zinc/00/46/60/570004660.db2.gz PPDLGQTZZSAVCQ-XMMPIXPASA-N 0 0 469.412 5.230 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000225547967 570004747 /nfs/dbraw/zinc/00/47/47/570004747.db2.gz ZGWZPOKYLSRTRU-QHCPKHFHSA-N 0 0 485.411 5.067 40 0 JKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc(Cl)c1 ZINC000408666657 570004809 /nfs/dbraw/zinc/00/48/09/570004809.db2.gz OKPAZLAZCGRLQU-MONBJTKQSA-N 0 0 471.981 5.753 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000225548825 570004858 /nfs/dbraw/zinc/00/48/58/570004858.db2.gz XUSAGIUWAVYUEV-RUZDIDTESA-N 0 0 481.061 5.268 40 0 JKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1ccccc1Cl ZINC000408666700 570004870 /nfs/dbraw/zinc/00/48/70/570004870.db2.gz OTZDBWYTXPQDTA-IEGUWTFLSA-N 0 0 471.981 5.753 40 0 JKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1ccccc1Cl ZINC000408666703 570004926 /nfs/dbraw/zinc/00/49/26/570004926.db2.gz OTZDBWYTXPQDTA-PNCHPQGNSA-N 0 0 471.981 5.753 40 0 JKABRN COc1ccc(OC)c(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000408666987 570004945 /nfs/dbraw/zinc/00/49/45/570004945.db2.gz INJJOGKTYPIWAS-UHFFFAOYSA-N 0 0 476.916 5.368 40 0 JKABRN O=C(COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1)N1CCCCC1 ZINC000225550450 570004966 /nfs/dbraw/zinc/00/49/66/570004966.db2.gz ICHNZVXZWBXXRX-UHFFFAOYSA-N 0 0 454.998 5.572 40 0 JKABRN COC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000408666993 570005009 /nfs/dbraw/zinc/00/50/09/570005009.db2.gz IOZWRGLMIPHCIS-UHFFFAOYSA-N 0 0 474.900 5.137 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000225549925 570005023 /nfs/dbraw/zinc/00/50/23/570005023.db2.gz WCQNRSKLDRYVHK-BKMJKUGQSA-N 0 0 499.655 5.611 40 0 JKABRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cc(Cl)ccc3C)c2C)cc1 ZINC000408667066 570005036 /nfs/dbraw/zinc/00/50/36/570005036.db2.gz IYVHVXPPXKGQTI-UHFFFAOYSA-N 0 0 458.945 6.276 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000225553080 570005153 /nfs/dbraw/zinc/00/51/53/570005153.db2.gz IDOXFESEQRWXTF-MBSDFSHPSA-N 0 0 495.516 6.257 40 0 JKABRN COc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000408667266 570005144 /nfs/dbraw/zinc/00/51/44/570005144.db2.gz QAGKEZFKDHIJBY-AXHZCLLHSA-N 0 0 467.562 5.108 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000225552804 570005176 /nfs/dbraw/zinc/00/51/76/570005176.db2.gz DZOVSDPNHKEQAY-RDPSFJRHSA-N 0 0 475.098 6.243 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C)c1 ZINC000408667302 570005237 /nfs/dbraw/zinc/00/52/37/570005237.db2.gz QDJDUYWKHQUXRR-DZRGJMJISA-N 0 0 465.590 5.717 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)c1 ZINC000408667306 570005245 /nfs/dbraw/zinc/00/52/45/570005245.db2.gz QDJDUYWKHQUXRR-FZOAFFARSA-N 0 0 465.590 5.717 40 0 JKABRN COc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000408667274 570005247 /nfs/dbraw/zinc/00/52/47/570005247.db2.gz QAGKEZFKDHIJBY-YDIMBITNSA-N 0 0 467.562 5.108 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)c1 ZINC000408667309 570005259 /nfs/dbraw/zinc/00/52/59/570005259.db2.gz QDJDUYWKHQUXRR-PIBDYAPNSA-N 0 0 465.590 5.717 40 0 JKABRN COc1cccc(CCCNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000225554359 570005276 /nfs/dbraw/zinc/00/52/76/570005276.db2.gz PLFCAZHYLYFLNP-UHFFFAOYSA-N 0 0 460.643 6.143 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C(C)C ZINC000225554239 570005290 /nfs/dbraw/zinc/00/52/90/570005290.db2.gz SGOLUMITOAUCRJ-JWQCQUIFSA-N 0 0 461.635 5.028 40 0 JKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)N[C@@H](C)c1ccccc1 ZINC000408667355 570005289 /nfs/dbraw/zinc/00/52/89/570005289.db2.gz QKXQNPAOKWHESX-GFMPLVLUSA-N 0 0 465.590 5.338 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000408667429 570005372 /nfs/dbraw/zinc/00/53/72/570005372.db2.gz QQXJUHCNGIXUDE-WPSZSDGUSA-N 0 0 486.008 6.062 40 0 JKABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1Cl ZINC000225556035 570005382 /nfs/dbraw/zinc/00/53/82/570005382.db2.gz YCBQMDJSCQBYEP-INIZCTEOSA-N 0 0 453.435 5.169 40 0 JKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000225556029 570005399 /nfs/dbraw/zinc/00/53/99/570005399.db2.gz HHCBUUHEQDUCGX-UHFFFAOYSA-N 0 0 454.397 7.413 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000225556473 570005458 /nfs/dbraw/zinc/00/54/58/570005458.db2.gz MRPFSRHHHCPEFC-LAUBAEHRSA-N 0 0 465.421 5.403 40 0 JKABRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408667806 570005522 /nfs/dbraw/zinc/00/55/22/570005522.db2.gz RGMMYSIRFKNNTF-UHFFFAOYSA-N 0 0 478.159 5.591 40 0 JKABRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1Cl ZINC000225557912 570005563 /nfs/dbraw/zinc/00/55/63/570005563.db2.gz WQTUFBHVGDGATQ-OAHLLOKOSA-N 0 0 470.824 6.901 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000225557649 570005587 /nfs/dbraw/zinc/00/55/87/570005587.db2.gz ZVUNXRDPOMZCKK-RCZVLFRGSA-N 0 0 454.680 5.567 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000225558048 570005592 /nfs/dbraw/zinc/00/55/92/570005592.db2.gz LXVKGLAZLBLALW-AUSIDOKSSA-N 0 0 461.071 5.604 40 0 JKABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2)S(C)(=O)=O)c1 ZINC000225562614 570005849 /nfs/dbraw/zinc/00/58/49/570005849.db2.gz SFJHBMJCGLKTEG-QFIPXVFZSA-N 0 0 492.685 6.058 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000225563665 570005853 /nfs/dbraw/zinc/00/58/53/570005853.db2.gz LFHVRRGOIXVDNZ-MUUNZHRXSA-N 0 0 470.657 5.611 40 0 JKABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 ZINC000225563701 570005873 /nfs/dbraw/zinc/00/58/73/570005873.db2.gz YKGGTPSIYCIRDS-RTWAWAEBSA-N 0 0 457.024 5.106 40 0 JKABRN 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ZINC000408992472 570094504 /nfs/dbraw/zinc/09/45/04/570094504.db2.gz SVPQLZHFLMTTKX-UHFFFAOYSA-N 0 0 492.597 5.938 40 0 JKABRN Cc1cc(C)c(CSC2=N[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)c(C)c1 ZINC000408992530 570094533 /nfs/dbraw/zinc/09/45/33/570094533.db2.gz TXHWYLNFXCRYBA-AREMUKBSSA-N 0 0 455.627 6.458 40 0 JKABRN CC(=O)O[C@@H]1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C ZINC000252693338 570094572 /nfs/dbraw/zinc/09/45/72/570094572.db2.gz CQQNBMVDVWGBMD-BMKVUZHKSA-N 0 0 468.766 8.740 40 0 biogenic JKABRN CCOC(=O)C1=C(C)NC(SCc2cccc3ccccc32)=N[C@H]1c1ccc(OC)cc1OC ZINC000408993240 570094706 /nfs/dbraw/zinc/09/47/06/570094706.db2.gz VWGCGWTXSYAITC-VWLOTQADSA-N 0 0 476.598 5.628 40 0 JKABRN CCOC(=O)C1=C(C)NC(SCc2cccc3ccccc32)=N[C@@H]1c1cccc(Cl)c1Cl ZINC000408993716 570094846 /nfs/dbraw/zinc/09/48/46/570094846.db2.gz XFAKHLLKIPUARN-HSZRJFAPSA-N 0 0 485.436 6.917 40 0 JKABRN CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408994333 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COc1ccc(Cl)cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 ZINC000409001270 570096355 /nfs/dbraw/zinc/09/63/55/570096355.db2.gz HJQNQYDUEOIIHI-QFIPXVFZSA-N 0 0 463.921 5.168 40 0 JKABRN O=C(Nc1ccc(Cl)c(Br)c1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000409001829 570096504 /nfs/dbraw/zinc/09/65/04/570096504.db2.gz KXMNJRKQOGCQAN-QFIPXVFZSA-N 0 0 499.792 5.805 40 0 JKABRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000409002089 570096590 /nfs/dbraw/zinc/09/65/90/570096590.db2.gz MCNQNNFXGQVPKN-FNZWTVRRSA-N 0 0 465.590 5.801 40 0 JKABRN CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000409002090 570096646 /nfs/dbraw/zinc/09/66/46/570096646.db2.gz MCNQNNFXGQVPKN-FQRUVTKNSA-N 0 0 465.590 5.801 40 0 JKABRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)O1 ZINC000409002891 570096722 /nfs/dbraw/zinc/09/67/22/570096722.db2.gz CCHRHXLXEWCYAH-MTJSOVHGSA-N 0 0 454.309 5.926 40 0 JKABRN CCCCOc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1 ZINC000409002800 570096755 /nfs/dbraw/zinc/09/67/55/570096755.db2.gz ATGNNUFVKNQOOC-ULJHMMPZSA-N 0 0 457.526 5.798 40 0 JKABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000409003195 570096833 /nfs/dbraw/zinc/09/68/33/570096833.db2.gz FGAFRNHOSQTIFX-UHFFFAOYSA-N 0 0 497.060 5.012 40 0 JKABRN Cc1ccc(CN(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000409003420 570096960 /nfs/dbraw/zinc/09/69/60/570096960.db2.gz FWZXCKPMBMDMFS-UHFFFAOYSA-N 0 0 463.386 5.131 40 0 JKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000409003651 570097136 /nfs/dbraw/zinc/09/71/36/570097136.db2.gz TZXFYRFAJWQJCX-AREMUKBSSA-N 0 0 476.532 6.288 40 0 JKABRN CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(C)cc4)cc3)C(=O)O2)cc1 ZINC000409003764 570097142 /nfs/dbraw/zinc/09/71/42/570097142.db2.gz KWJPTPNWOOWONN-BWAHOGKJSA-N 0 0 455.510 5.738 40 0 JKABRN Cc1cc(Br)c(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)cc1C ZINC000409003974 570097168 /nfs/dbraw/zinc/09/71/68/570097168.db2.gz 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O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1 ZINC000409004119 570097320 /nfs/dbraw/zinc/09/73/20/570097320.db2.gz AQPAJRQFCQWGOQ-UHFFFAOYSA-N 0 0 499.435 5.330 40 0 JKABRN Cc1ccc(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409004178 570097344 /nfs/dbraw/zinc/09/73/44/570097344.db2.gz ONALWEXULOBCSB-UHFFFAOYSA-N 0 0 497.831 5.785 40 0 JKABRN CCCCOc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4)c(OCC)c3)C(=O)O2)cc1 ZINC000409004244 570097358 /nfs/dbraw/zinc/09/73/58/570097358.db2.gz OUXXMBZFXAFCLD-MOHJPFBDSA-N 0 0 485.536 5.828 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(Br)cc1OC ZINC000409004356 570097441 /nfs/dbraw/zinc/09/74/41/570097441.db2.gz AQQRNUSDSNDQTC-UNOMPAQXSA-N 0 0 462.365 5.135 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(Cl)cc3Cl)o2)c(C)c1 ZINC000409004387 570097467 /nfs/dbraw/zinc/09/74/67/570097467.db2.gz AWSKZDGWOSNAEH-ZDUSSCGKSA-N 0 0 452.363 5.864 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2c(Cl)cccc2Cl)cc1 ZINC000409004835 570097556 /nfs/dbraw/zinc/09/75/56/570097556.db2.gz FEFHDFPJSAURET-UHFFFAOYSA-N 0 0 495.472 5.499 40 0 JKABRN O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 ZINC000409004723 570097571 /nfs/dbraw/zinc/09/75/71/570097571.db2.gz QEMTUDUBPZGPOU-UHFFFAOYSA-N 0 0 483.804 5.476 40 0 JKABRN CC(C)c1cc(I)ccc1NC(=O)CSc1cccc2cccnc21 ZINC000409004969 570097633 /nfs/dbraw/zinc/09/76/33/570097633.db2.gz CNUBQWDRHAYWON-UHFFFAOYSA-N 0 0 462.356 5.694 40 0 JKABRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)O1 ZINC000409005252 570097678 /nfs/dbraw/zinc/09/76/78/570097678.db2.gz TWTKOWYGSLGZHG-NDENLUEZSA-N 0 0 468.292 5.566 40 0 JKABRN C[C@@H](NC(=O)CSc1nnc([C@H](C)Oc2ccc(Cl)cc2Cl)o1)c1ccccc1 ZINC000409005111 570097722 /nfs/dbraw/zinc/09/77/22/570097722.db2.gz DKDYKMKPIMFITF-OLZOCXBDSA-N 0 0 452.363 5.486 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)o1 ZINC000409005113 570097737 /nfs/dbraw/zinc/09/77/37/570097737.db2.gz DKDYKMKPIMFITF-QWHCGFSZSA-N 0 0 452.363 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570139778 /nfs/dbraw/zinc/13/97/78/570139778.db2.gz IHUWIKHCHPZCLB-UHFFFAOYSA-N 0 0 486.593 5.505 40 0 JKABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC ZINC000409130576 570139906 /nfs/dbraw/zinc/13/99/06/570139906.db2.gz WLHQZMSQXVMAKC-GXPOEHQZSA-N 0 0 459.995 6.195 40 0 JKABRN COc1cccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1OCC(=O)Nc1ccccc1 ZINC000409130468 570139929 /nfs/dbraw/zinc/13/99/29/570139929.db2.gz HZGFGBXGEPVXOT-PXLXIMEGSA-N 0 0 480.586 5.329 40 0 JKABRN COCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000409130796 570140029 /nfs/dbraw/zinc/14/00/29/570140029.db2.gz UWCXQEQFLDGGJD-HYARGMPZSA-N 0 0 483.973 5.764 40 0 JKABRN Cc1ccc(Oc2cc(C)nc([C@@H]3CCCCN3C(=O)c3cccc(Cn4ccnc4)c3)n2)cc1 ZINC000257305734 570140082 /nfs/dbraw/zinc/14/00/82/570140082.db2.gz SRHGGHJPYTUTEB-VWLOTQADSA-N 0 0 467.573 5.498 40 0 JKABRN CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cn(Cc3ccc(F)cc3)c21 ZINC000409131064 570140097 /nfs/dbraw/zinc/14/00/97/570140097.db2.gz 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CC(C)CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000257307862 570140680 /nfs/dbraw/zinc/14/06/80/570140680.db2.gz TUKQGLPSIDOMAY-DEOSSOPVSA-N 0 0 473.592 5.096 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1cccc(F)c1 ZINC000409132515 570140728 /nfs/dbraw/zinc/14/07/28/570140728.db2.gz JXKUOHORLUYUTR-OEAKJJBVSA-N 0 0 455.551 6.030 40 0 JKABRN O=C(c1ccnc(Cc2ccccc2)c1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257308321 570140884 /nfs/dbraw/zinc/14/08/84/570140884.db2.gz TWHVNDOHQPYYNF-HSZRJFAPSA-N 0 0 471.988 5.924 40 0 JKABRN CCN1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)C1=O ZINC000409132688 570140913 /nfs/dbraw/zinc/14/09/13/570140913.db2.gz KMZHGQMAPIDSOK-UWVJOHFNSA-N 0 0 493.785 6.301 40 0 JKABRN Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2C)c1 ZINC000409133107 570141042 /nfs/dbraw/zinc/14/10/42/570141042.db2.gz ZNIAOCWMVWOXLI-HXUWFJFHSA-N 0 0 497.709 5.201 40 0 JKABRN O=C(COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409133281 570141115 /nfs/dbraw/zinc/14/11/15/570141115.db2.gz PVFLEUOKCLWLJV-HYARGMPZSA-N 0 0 485.005 5.974 40 0 JKABRN CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000409134028 570141351 /nfs/dbraw/zinc/14/13/51/570141351.db2.gz RNVOQOJTIDXGIB-UHFFFAOYSA-N 0 0 450.564 5.433 40 0 JKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1CCCc1ccccc1 ZINC000409134036 570141372 /nfs/dbraw/zinc/14/13/72/570141372.db2.gz OMGJGWQQLRDJLB-JJIBRWJFSA-N 0 0 463.986 6.588 40 0 JKABRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N1CC1CCCCC1 ZINC000409134001 570141400 /nfs/dbraw/zinc/14/14/00/570141400.db2.gz RHLCDEZWAFLMPD-LPYMAVHISA-N 0 0 476.425 7.189 40 0 JKABRN O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257310126 570141437 /nfs/dbraw/zinc/14/14/37/570141437.db2.gz UDUAOSFMNQOWQN-IBGZPJMESA-N 0 0 471.870 5.669 40 0 JKABRN CC(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257309807 570141449 /nfs/dbraw/zinc/14/14/49/570141449.db2.gz 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TVGFDDKDRAJZKA-UQQQWYQISA-N 0 0 488.996 7.005 40 0 JKABRN Cc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409134905 570141885 /nfs/dbraw/zinc/14/18/85/570141885.db2.gz OTKMFPVYOCJUKG-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409135213 570142043 /nfs/dbraw/zinc/14/20/43/570142043.db2.gz VQYXRDVJQLJKHC-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 ZINC000409135848 570142219 /nfs/dbraw/zinc/14/22/19/570142219.db2.gz RGZMSKUNEWNTTG-SMNNTEATSA-N 0 0 491.588 5.418 40 0 JKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409135972 570142342 /nfs/dbraw/zinc/14/23/42/570142342.db2.gz WYBZHARIJCAHMU-NDENLUEZSA-N 0 0 469.404 6.071 40 0 JKABRN Cc1c(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)sc2[nH]cnc(=O)c12 ZINC000257313684 570142524 /nfs/dbraw/zinc/14/25/24/570142524.db2.gz UTQMEZQRYWSYKO-KRWDZBQOSA-N 0 0 468.966 5.305 40 0 JKABRN O=C(c1ccc(Cc2ccccc2F)nc1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257313772 570142609 /nfs/dbraw/zinc/14/26/09/570142609.db2.gz UUBKZNNKULWGAG-QFIPXVFZSA-N 0 0 473.523 5.549 40 0 JKABRN CCc1cccc(CC)c1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000409136616 570142623 /nfs/dbraw/zinc/14/26/23/570142623.db2.gz SBIFZALTDHYFOY-UHFFFAOYSA-N 0 0 491.440 5.952 40 0 JKABRN CCN1C(=O)S/C(=C\c2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)C1=O ZINC000409136628 570142659 /nfs/dbraw/zinc/14/26/59/570142659.db2.gz SEWSDRWBIZPCND-MTJSOVHGSA-N 0 0 485.403 5.847 40 0 JKABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@]2(CO[C@@H](c3ccc(F)cc3)[C@H](C(C)C)C2)C1 ZINC000257314143 570142674 /nfs/dbraw/zinc/14/26/74/570142674.db2.gz UVMSMIXGEUDKDM-MXSCXNJPSA-N 0 0 463.597 5.367 40 0 JKABRN Cc1ccc(C(=O)N2CCC[C@H](Cc3ccc4ccnn4c3)CC2)cc1NCc1ccccn1 ZINC000257314206 570142711 /nfs/dbraw/zinc/14/27/11/570142711.db2.gz UVTMOQBWRJXRAD-QFIPXVFZSA-N 0 0 453.590 5.135 40 0 JKABRN O=C(c1ccnc(Cc2ccccc2F)c1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257313777 570142731 /nfs/dbraw/zinc/14/27/31/570142731.db2.gz UUCRHQGMMSTMCQ-HSZRJFAPSA-N 0 0 455.533 5.410 40 0 JKABRN O=C(Nc1ccccc1-c1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409137491 570142911 /nfs/dbraw/zinc/14/29/11/570142911.db2.gz WTGGYESYKCMTCR-LJAQVGFWSA-N 0 0 464.590 6.380 40 0 JKABRN Cc1nn(C)c2ccc(C(=O)N3CCC[C@H](c4cccc(-c5cccc(C(F)(F)F)c5)n4)C3)cc12 ZINC000257315128 570142959 /nfs/dbraw/zinc/14/29/59/570142959.db2.gz UZZYNXGONTWKRL-FQEVSTJZSA-N 0 0 478.518 5.982 40 0 JKABRN O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257314855 570142961 /nfs/dbraw/zinc/14/29/61/570142961.db2.gz UYURREVROSJCNH-DGPALRBDSA-N 0 0 486.612 5.044 40 0 JKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(C)C)C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409137745 570143128 /nfs/dbraw/zinc/14/31/28/570143128.db2.gz XKKXEULJBURLRK-YVNNLAQVSA-N 0 0 487.452 7.251 40 0 JKABRN CC(C)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000409137774 570143136 /nfs/dbraw/zinc/14/31/36/570143136.db2.gz XTPNSRHIIXUXRE-UHFFFAOYSA-N 0 0 477.413 5.951 40 0 JKABRN CCCCNC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409137809 570143139 /nfs/dbraw/zinc/14/31/39/570143139.db2.gz YCBSYETZSXYIGW-UHFFFAOYSA-N 0 0 471.022 5.574 40 0 JKABRN COc1ccc(C(=O)N2CCC[C@H](Cc3cccc4n[nH]cc43)CC2)cc1OCc1ccccn1 ZINC000257316076 570143306 /nfs/dbraw/zinc/14/33/06/570143306.db2.gz VDZYPPBTKVVCHK-FQEVSTJZSA-N 0 0 470.573 5.031 40 0 JKABRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)c(C)c1 ZINC000409138490 570143331 /nfs/dbraw/zinc/14/33/31/570143331.db2.gz CPNDKHCGDIVQDY-XQNSMLJCSA-N 0 0 461.539 5.711 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409138388 570143348 /nfs/dbraw/zinc/14/33/48/570143348.db2.gz AZARJJIXTCKTEU-NLRVBDNBSA-N 0 0 473.594 6.252 40 0 JKABRN O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1CCCc1ccccc1 ZINC000409138759 570143475 /nfs/dbraw/zinc/14/34/75/570143475.db2.gz HRSABCLDOKHQJL-HMMYKYKNSA-N 0 0 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CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O ZINC000409172936 570155657 /nfs/dbraw/zinc/15/56/57/570155657.db2.gz GSWJIIHVPGALTN-JLPGSUDCSA-N 0 0 474.582 6.002 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000409173447 570155840 /nfs/dbraw/zinc/15/58/40/570155840.db2.gz NJQRTISBLBWEPJ-UHFFFAOYSA-N 0 0 463.577 7.183 40 0 JKABRN Cc1ccc(OCc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)cc2)cc1 ZINC000409173471 570155869 /nfs/dbraw/zinc/15/58/69/570155869.db2.gz NSPKDDKFGZHRCD-MUUNZHRXSA-N 0 0 470.952 7.008 40 0 JKABRN Cc1ccc(-c2ccc(OC(=O)c3ccc(CS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000409173923 570155970 /nfs/dbraw/zinc/15/59/70/570155970.db2.gz PLKBXTWMMCUAFN-UHFFFAOYSA-N 0 0 456.563 6.164 40 0 JKABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000409173780 570155985 /nfs/dbraw/zinc/15/59/85/570155985.db2.gz KAOKKFKHMUHVDG-HMAPJEAMSA-N 0 0 468.575 5.166 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3c(Cl)cccc3Cl)cc2)c1 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/nfs/dbraw/zinc/17/84/26/570178426.db2.gz CFWJHCWWTGCXKA-WOJGMQOQSA-N 0 0 470.349 5.784 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccccc1 ZINC000409233025 570178621 /nfs/dbraw/zinc/17/86/21/570178621.db2.gz UFFZFWUAFNZUOM-INIZCTEOSA-N 0 0 460.958 5.090 40 0 JKABRN O=C(CN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O)Nc1cccc(F)c1 ZINC000409233552 570178771 /nfs/dbraw/zinc/17/87/71/570178771.db2.gz SVIRTWXLSDGUAE-MTJSOVHGSA-N 0 0 498.988 6.305 40 0 JKABRN Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1 ZINC000409233694 570178805 /nfs/dbraw/zinc/17/88/05/570178805.db2.gz WCPGKIWVHIBQIM-ZVHZXABRSA-N 0 0 455.945 5.744 40 0 JKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1C ZINC000409233609 570178816 /nfs/dbraw/zinc/17/88/16/570178816.db2.gz TVGHZOKHCKFDOT-FYJGNVAPSA-N 0 0 465.962 5.423 40 0 JKABRN Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)c(C)c1 ZINC000409233829 570178936 /nfs/dbraw/zinc/17/89/36/570178936.db2.gz HWYKWESCOXUGRQ-OAQYLSRUSA-N 0 0 450.604 5.223 40 0 JKABRN Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)c(C)c1 ZINC000409233828 570178944 /nfs/dbraw/zinc/17/89/44/570178944.db2.gz HWYKWESCOXUGRQ-NRFANRHFSA-N 0 0 450.604 5.223 40 0 JKABRN Cc1cccc(COc2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1 ZINC000409233845 570178951 /nfs/dbraw/zinc/17/89/51/570178951.db2.gz UCHLKKAZYGPZJJ-FYJGNVAPSA-N 0 0 497.776 6.087 40 0 JKABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O ZINC000409234425 570179017 /nfs/dbraw/zinc/17/90/17/570179017.db2.gz WNKCQAZPNFSAFX-ZHZULCJRSA-N 0 0 493.972 5.031 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409234219 570179052 /nfs/dbraw/zinc/17/90/52/570179052.db2.gz JEGGHCOGERZBLP-WOJGMQOQSA-N 0 0 486.804 6.299 40 0 JKABRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)cc2)cc1 ZINC000409234429 570179080 /nfs/dbraw/zinc/17/90/80/570179080.db2.gz WNQDKOROYSVRNO-HAHDFKILSA-N 0 0 488.634 6.438 40 0 JKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc(C)c4)c(Br)c3)C2=O)cc1 ZINC000409234504 570179193 /nfs/dbraw/zinc/17/91/93/570179193.db2.gz LECJDTOYVJQLCF-OEAKJJBVSA-N 0 0 491.385 5.738 40 0 JKABRN O=C1N/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1 ZINC000409234568 570179200 /nfs/dbraw/zinc/17/92/00/570179200.db2.gz LQJGVCDDEDVTNH-WOJGMQOQSA-N 0 0 489.778 5.940 40 0 JKABRN CCNc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328956962 570179232 /nfs/dbraw/zinc/17/92/32/570179232.db2.gz AHMXCZCQRMDBCY-UHFFFAOYSA-N 0 0 472.389 5.089 40 0 JKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c(C(F)(F)F)c1 ZINC000328957884 570179323 /nfs/dbraw/zinc/17/93/23/570179323.db2.gz ALZJGMRARPLHOK-UHFFFAOYSA-N 0 0 481.444 5.908 40 0 JKABRN Cc1cc(Br)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000328957638 570179327 /nfs/dbraw/zinc/17/93/27/570179327.db2.gz AKGPPTYCYMYKPW-UHFFFAOYSA-N 0 0 479.300 6.431 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cccc(C(F)(F)F)c3)nc(NC3CC3)n2)c1 ZINC000328957911 570179334 /nfs/dbraw/zinc/17/93/34/570179334.db2.gz AMDCXNUDXAMDDF-UHFFFAOYSA-N 0 0 454.374 5.223 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O)Nc1cccc(F)c1 ZINC000409235205 570179404 /nfs/dbraw/zinc/17/94/04/570179404.db2.gz BKSQLMHYMIHSDP-LPYMAVHISA-N 0 0 462.502 5.080 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328963760 570179504 /nfs/dbraw/zinc/17/95/04/570179504.db2.gz BQNSTSKBMBXQFA-CYBMUJFWSA-N 0 0 465.317 5.723 40 0 JKABRN CC(C)(C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328959358 570179457 /nfs/dbraw/zinc/17/94/57/570179457.db2.gz ATNHYHBLKWQBNZ-UHFFFAOYSA-N 0 0 452.427 6.143 40 0 JKABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1Br ZINC000409235392 570179503 /nfs/dbraw/zinc/17/95/03/570179503.db2.gz PBGPOZKTCZCQPN-LICLKQGHSA-N 0 0 495.782 5.176 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O)Nc1cccc(F)c1 ZINC000409235514 570179509 /nfs/dbraw/zinc/17/95/09/570179509.db2.gz BSERQQYPKVXDQC-ZMOGYAJESA-N 0 0 485.540 5.504 40 0 JKABRN CC(C)Nc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328963479 570179580 /nfs/dbraw/zinc/17/95/80/570179580.db2.gz BORGKMVNTUFTRE-UHFFFAOYSA-N 0 0 481.316 5.081 40 0 JKABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1 ZINC000409235796 570179618 /nfs/dbraw/zinc/17/96/18/570179618.db2.gz BQHBSRFDIPDCHJ-KGENOOAVSA-N 0 0 496.629 5.671 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)c(Br)c1 ZINC000328966312 570179683 /nfs/dbraw/zinc/17/96/83/570179683.db2.gz CLHWZBZBVRIVNH-UHFFFAOYSA-N 0 0 481.316 5.521 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328965240 570179715 /nfs/dbraw/zinc/17/97/15/570179715.db2.gz CBLMARAWDVARAC-IBGZPJMESA-N 0 0 450.892 5.988 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409236130 570179750 /nfs/dbraw/zinc/17/97/50/570179750.db2.gz RGBVHOCFPXGHHS-OEAKJJBVSA-N 0 0 460.505 5.205 40 0 JKABRN Fc1cccc(Cl)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000328968423 570179838 /nfs/dbraw/zinc/17/98/38/570179838.db2.gz CYXCUMPIIKNTIW-UHFFFAOYSA-N 0 0 480.893 6.167 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(I)cc2Cl)cc(C(F)(F)F)n1 ZINC000328968069 570179845 /nfs/dbraw/zinc/17/98/45/570179845.db2.gz CXHSIDZHSFVUQW-UHFFFAOYSA-N 0 0 470.664 5.707 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(NCc3ccc(Cl)cc3)nc(NC3CCCCC3)n2)c1 ZINC000328970783 570179937 /nfs/dbraw/zinc/17/99/37/570179937.db2.gz DMLOVOBPRBVXTL-UHFFFAOYSA-N 0 0 476.930 5.896 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccn2)n1 ZINC000328971240 570179959 /nfs/dbraw/zinc/17/99/59/570179959.db2.gz DOJGVEBNKRLFPB-UHFFFAOYSA-N 0 0 466.305 6.274 40 0 JKABRN CCCC1CCC(c2ccc(C(=O)OC3CCC([C@H]4CC[C@H](CCC)CC4)CC3)cc2)CC1 ZINC000328969950 570179974 /nfs/dbraw/zinc/17/99/74/570179974.db2.gz DHCXQHKQRVGHAQ-IGEICVHISA-N 0 0 452.723 9.083 40 0 JKABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c2ccccc12 ZINC000409236679 570180040 /nfs/dbraw/zinc/18/00/40/570180040.db2.gz GEIOYJSODDKYEB-CIAFOILYSA-N 0 0 450.491 5.053 40 0 JKABRN Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409236900 570180087 /nfs/dbraw/zinc/18/00/87/570180087.db2.gz HWSCAZYYDHDLAD-OEAKJJBVSA-N 0 0 492.984 5.902 40 0 JKABRN CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328973178 570180149 /nfs/dbraw/zinc/18/01/49/570180149.db2.gz DZZPTEMQKIQSBK-UHFFFAOYSA-N 0 0 490.835 6.122 40 0 JKABRN FC(F)(F)c1cc(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)ccc1Br ZINC000328973165 570180179 /nfs/dbraw/zinc/18/01/79/570180179.db2.gz DZPHEKAKVZPDIL-UHFFFAOYSA-N 0 0 477.328 5.867 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(Cl)cc1Cl ZINC000409237188 570180234 /nfs/dbraw/zinc/18/02/34/570180234.db2.gz IBFOHHBJBOUHNQ-UHFFFAOYSA-N 0 0 477.413 5.086 40 0 JKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)n1 ZINC000328977365 570180263 /nfs/dbraw/zinc/18/02/63/570180263.db2.gz FTNJPIJBMDHKBW-LJQANCHMSA-N 0 0 495.343 6.097 40 0 JKABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000328977397 570180298 /nfs/dbraw/zinc/18/02/98/570180298.db2.gz FUBKIANUGVOCOT-UHFFFAOYSA-N 0 0 493.327 5.583 40 0 JKABRN CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)C1=O ZINC000409237369 570180343 /nfs/dbraw/zinc/18/03/43/570180343.db2.gz WFDIOYXNTOMBGF-DEDYPNTBSA-N 0 0 451.320 5.094 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2c(Cl)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328980353 570180421 /nfs/dbraw/zinc/18/04/21/570180421.db2.gz GLHLKRBKOUPFBP-GFCCVEGCSA-N 0 0 471.310 6.147 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2c(Cl)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328980354 570180427 /nfs/dbraw/zinc/18/04/27/570180427.db2.gz GLHLKRBKOUPFBP-LBPRGKRZSA-N 0 0 471.310 6.147 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328978424 570180428 /nfs/dbraw/zinc/18/04/28/570180428.db2.gz FZIZSUUHMCJMMJ-CYBMUJFWSA-N 0 0 481.316 5.603 40 0 JKABRN CCNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328981171 570180439 /nfs/dbraw/zinc/18/04/39/570180439.db2.gz GRTIPVXJJRSTJS-UHFFFAOYSA-N 0 0 472.389 6.425 40 0 JKABRN C[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328978836 570180443 /nfs/dbraw/zinc/18/04/43/570180443.db2.gz GCOAALINGVSYFA-HNNXBMFYSA-N 0 0 460.500 5.876 40 0 JKABRN CCOc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)cc1 ZINC000328982492 570180531 /nfs/dbraw/zinc/18/05/31/570180531.db2.gz HAQSYHYDUQSCEY-NRFANRHFSA-N 0 0 476.499 5.613 40 0 JKABRN Cc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)c1C ZINC000328984068 570180557 /nfs/dbraw/zinc/18/05/57/570180557.db2.gz HKIYHTHNDXOQEM-NRFANRHFSA-N 0 0 460.500 5.831 40 0 JKABRN Fc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)c(Br)c1 ZINC000328984003 570180580 /nfs/dbraw/zinc/18/05/80/570180580.db2.gz HJWZIESLJGIEOX-UHFFFAOYSA-N 0 0 483.263 5.106 40 0 JKABRN FC(F)(F)c1cc(Nc2ccc(Br)c(C(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000328985775 570180641 /nfs/dbraw/zinc/18/06/41/570180641.db2.gz 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CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)C1=O ZINC000409238567 570180868 /nfs/dbraw/zinc/18/08/68/570180868.db2.gz DYMYTZXEQSIWQR-CPNJWEJPSA-N 0 0 476.392 5.873 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Br)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328993762 570180948 /nfs/dbraw/zinc/18/09/48/570180948.db2.gz JBEKPJDBZKRVCO-GFCCVEGCSA-N 0 0 499.306 5.742 40 0 JKABRN CC(C)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328996586 570180970 /nfs/dbraw/zinc/18/09/70/570180970.db2.gz JKJXKIGOHYBPDC-UHFFFAOYSA-N 0 0 457.283 5.757 40 0 JKABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c(OC)c1 ZINC000328994457 570180976 /nfs/dbraw/zinc/18/09/76/570180976.db2.gz JEANADSFUGPBBZ-UHFFFAOYSA-N 0 0 474.483 5.001 40 0 JKABRN Cc1nc2cc(Nc3cc(-c4cccc(OC(F)(F)F)c4)nc(NC(C)(C)C)n3)ccc2s1 ZINC000328995833 570180979 /nfs/dbraw/zinc/18/09/79/570180979.db2.gz JINWQYVLWMOTGW-UHFFFAOYSA-N 0 0 473.524 6.914 40 0 JKABRN COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409239009 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570181947 /nfs/dbraw/zinc/18/19/47/570181947.db2.gz NSAMLXWITGNPSW-GFCCVEGCSA-N 0 0 452.864 5.199 40 0 JKABRN COc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cc(OC)c1 ZINC000329018403 570181955 /nfs/dbraw/zinc/18/19/55/570181955.db2.gz NRSSVGQDNKVLIU-UHFFFAOYSA-N 0 0 462.472 6.013 40 0 JKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000409241152 570181984 /nfs/dbraw/zinc/18/19/84/570181984.db2.gz RPESQUXFWPITSK-HAHDFKILSA-N 0 0 474.607 6.130 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329021702 570182077 /nfs/dbraw/zinc/18/20/77/570182077.db2.gz OHKVRYIMLQXEQN-CQSZACIVSA-N 0 0 450.892 5.802 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409241595 570182101 /nfs/dbraw/zinc/18/21/01/570182101.db2.gz KCHQIHOBPBRPQU-XDHOZWIPSA-N 0 0 474.966 5.121 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3c(Cl)cccc3Cl)nc(NC3CC3)n2)c1 ZINC000329024460 570182158 /nfs/dbraw/zinc/18/21/58/570182158.db2.gz 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O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000408559566 570199894 /nfs/dbraw/zinc/19/98/94/570199894.db2.gz WASKTCBKQLOXTE-UHFFFAOYSA-N 0 0 497.773 5.076 40 0 JKABRN O=C1CS[C@H](c2ccc(OCc3cccc4ccccc43)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408559582 570199908 /nfs/dbraw/zinc/19/99/08/570199908.db2.gz WEIOBWNPNVBBSA-AREMUKBSSA-N 0 0 480.416 7.504 40 0 JKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000408559563 570199918 /nfs/dbraw/zinc/19/99/18/570199918.db2.gz MMQCQRDRJLRJJF-UHFFFAOYSA-N 0 0 496.938 5.551 40 0 JKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000408559705 570199948 /nfs/dbraw/zinc/19/99/48/570199948.db2.gz BITUVYYLAWUTTD-LVWGJNHUSA-N 0 0 459.453 5.951 40 0 JKABRN CCCc1s/c(=N\C(=O)c2cccc3ccccc32)n(CC)c1-c1ccc(Br)cc1 ZINC000408559709 570199963 /nfs/dbraw/zinc/19/99/63/570199963.db2.gz BJJGJAQIBKOMNK-RFBIWTDZSA-N 0 0 479.443 6.846 40 0 JKABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl ZINC000409314657 570199979 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CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Sc3ccccc3)C2)cc1 ZINC000408560471 570200432 /nfs/dbraw/zinc/20/04/32/570200432.db2.gz PDAFDXYRMGVAOQ-HXUWFJFHSA-N 0 0 496.654 5.276 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409317623 570200542 /nfs/dbraw/zinc/20/05/42/570200542.db2.gz QSKCDGFVUWEEOP-UHFFFAOYSA-N 0 0 492.519 5.247 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2cccc(C)c2)cc1 ZINC000409319224 570200754 /nfs/dbraw/zinc/20/07/54/570200754.db2.gz CFOUTWXHOKHLIJ-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000408561089 570200761 /nfs/dbraw/zinc/20/07/61/570200761.db2.gz GNKDYSYZTRGEPH-UHFFFAOYSA-N 0 0 452.583 5.926 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000408561119 570200800 /nfs/dbraw/zinc/20/08/00/570200800.db2.gz QTEVDROWWIXVJH-UHFFFAOYSA-N 0 0 495.384 5.454 40 0 JKABRN CCCCc1ccc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409319678 570200859 /nfs/dbraw/zinc/20/08/59/570200859.db2.gz KBRJHJUTYBRMPN-UHFFFAOYSA-N 0 0 464.631 5.476 40 0 JKABRN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccccc1I ZINC000408561314 570200896 /nfs/dbraw/zinc/20/08/96/570200896.db2.gz HRABOOSFGCIGNJ-UHFFFAOYSA-N 0 0 474.245 5.686 40 0 JKABRN O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)Nc1cc(Cl)ccc1Cl ZINC000408561331 570200926 /nfs/dbraw/zinc/20/09/26/570200926.db2.gz HWRZJQKQHLOWNY-UHFFFAOYSA-N 0 0 488.154 5.841 40 0 JKABRN Cc1cc(C)cc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)c1 ZINC000409320287 570200978 /nfs/dbraw/zinc/20/09/78/570200978.db2.gz PULMFXRBMYPJDT-UHFFFAOYSA-N 0 0 458.967 5.154 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408561418 570201026 /nfs/dbraw/zinc/20/10/26/570201026.db2.gz SFSILLLRYYEFDB-UHFFFAOYSA-N 0 0 464.465 5.076 40 0 JKABRN CCCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561390 570201038 /nfs/dbraw/zinc/20/10/38/570201038.db2.gz IRQWQYCFDZVQAH-DAFNUICNSA-N 0 0 498.273 6.999 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/nfs/dbraw/zinc/20/21/26/570202126.db2.gz UPYFIMFZEAFJSC-FLFQWRMESA-N 0 0 463.828 6.346 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)Nc1ccc(Cl)cc1 ZINC000408563396 570202196 /nfs/dbraw/zinc/20/21/96/570202196.db2.gz VPZFZQHEIHVACL-UHFFFAOYSA-N 0 0 491.396 5.152 40 0 JKABRN CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000408563339 570202211 /nfs/dbraw/zinc/20/22/11/570202211.db2.gz LFQNKCWNSNFOAZ-XMMPIXPASA-N 0 0 471.395 5.329 40 0 JKABRN CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000408563333 570202236 /nfs/dbraw/zinc/20/22/36/570202236.db2.gz LFQNKCWNSNFOAZ-DEOSSOPVSA-N 0 0 471.395 5.329 40 0 JKABRN O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccc3c4c(cccc42)CC3)N1c1ccccc1 ZINC000409326604 570202274 /nfs/dbraw/zinc/20/22/74/570202274.db2.gz CMNKILYWBPKWDY-YTTGMZPUSA-N 0 0 466.584 7.304 40 0 JKABRN O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)Nc1ccccc1Cl ZINC000408563652 570202346 /nfs/dbraw/zinc/20/23/46/570202346.db2.gz WBJUDZUOVGCJAN-UHFFFAOYSA-N 0 0 453.709 5.187 40 0 JKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408564507 570202583 /nfs/dbraw/zinc/20/25/83/570202583.db2.gz YZWLEJCIKPDUPT-LVWGJNHUSA-N 0 0 481.401 5.619 40 0 JKABRN CCCc1s/c(=N\C(=O)c2ccc(OC)c(Br)c2)n(CC)c1-c1ccccc1 ZINC000408564515 570202651 /nfs/dbraw/zinc/20/26/51/570202651.db2.gz ZAWIOFBOEWHLTC-GYHWCHFESA-N 0 0 459.409 5.701 40 0 JKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1I ZINC000408564604 570202780 /nfs/dbraw/zinc/20/27/80/570202780.db2.gz YEQMDDGAGGOBDM-UHFFFAOYSA-N 0 0 457.355 6.011 40 0 JKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)cc1 ZINC000408564600 570202805 /nfs/dbraw/zinc/20/28/05/570202805.db2.gz YDASZBFFBUELSS-UHFFFAOYSA-N 0 0 458.627 6.556 40 0 JKABRN C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000409328674 570203142 /nfs/dbraw/zinc/20/31/42/570203142.db2.gz ZSVGXNXBGWRWEN-NSHDSACASA-N 0 0 455.798 5.559 40 0 JKABRN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000409329519 570203476 /nfs/dbraw/zinc/20/34/76/570203476.db2.gz FBJYAKYHVJPNKE-RQZCQDPDSA-N 0 0 495.782 5.176 40 0 JKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408565819 570203495 /nfs/dbraw/zinc/20/34/95/570203495.db2.gz AUXKTUXJNSQLRJ-UHFFFAOYSA-N 0 0 461.581 6.296 40 0 JKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)c1 ZINC000409329797 570203640 /nfs/dbraw/zinc/20/36/40/570203640.db2.gz INEUWZCEAKYZQU-UHFFFAOYSA-N 0 0 452.624 5.680 40 0 JKABRN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409330284 570203819 /nfs/dbraw/zinc/20/38/19/570203819.db2.gz KOKPQCOZTYNPHX-UHFFFAOYSA-N 0 0 456.955 5.412 40 0 JKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(I)c1 ZINC000408567037 570203885 /nfs/dbraw/zinc/20/38/85/570203885.db2.gz KJYZDCJYGRYTMI-UHFFFAOYSA-N 0 0 474.136 5.485 40 0 JKABRN COc1ccccc1Oc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cn1 ZINC000408567299 570203986 /nfs/dbraw/zinc/20/39/86/570203986.db2.gz CVQSZUIJSUQSJV-UHFFFAOYSA-N 0 0 454.573 5.379 40 0 JKABRN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1C ZINC000409330655 570204097 /nfs/dbraw/zinc/20/40/97/570204097.db2.gz LLZMZICDTFGITJ-UHFFFAOYSA-N 0 0 452.624 5.162 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc(Cl)c1OC ZINC000409330870 570204231 /nfs/dbraw/zinc/20/42/31/570204231.db2.gz MJFCMKWUMLNMOW-ODLFYWEKSA-N 0 0 474.966 5.156 40 0 JKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1I ZINC000408568904 570204232 /nfs/dbraw/zinc/20/42/32/570204232.db2.gz XJWPXJPXZBZDIE-UHFFFAOYSA-N 0 0 474.136 5.485 40 0 JKABRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000409331228 570204309 /nfs/dbraw/zinc/20/43/09/570204309.db2.gz DKEUTXLBUQQGRA-KMRPREKFSA-N 0 0 469.924 5.170 40 0 JKABRN COc1cc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)ccc1NC(=O)c1ccco1 ZINC000408571480 570204741 /nfs/dbraw/zinc/20/47/41/570204741.db2.gz CIMZYEZPIQTTQW-SDNWHVSQSA-N 0 0 487.537 5.327 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000408571438 570204748 /nfs/dbraw/zinc/20/47/48/570204748.db2.gz BBLASSYTZREXPH-BMRADRMJSA-N 0 0 470.532 6.794 40 0 JKABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(-c3ccccc3)o2)CC1 ZINC000408571817 570204853 /nfs/dbraw/zinc/20/48/53/570204853.db2.gz GDDHEKNYJIVBLQ-JLHYYAGUSA-N 0 0 463.965 5.311 40 0 JKABRN FC(F)(F)c1cc(-c2ccc(Br)cc2)nc(SCc2ccc(Cl)cc2Cl)n1 ZINC000408583012 570207178 /nfs/dbraw/zinc/20/71/78/570207178.db2.gz QWSFAWFWHNXGBS-UHFFFAOYSA-N 0 0 494.163 7.524 40 0 JKABRN Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cccc1-c1nc2ncccc2o1 ZINC000408572575 570204998 /nfs/dbraw/zinc/20/49/98/570204998.db2.gz KJGXXUFUTDLOEX-FYWRMAATSA-N 0 0 480.549 5.985 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000408572887 570205054 /nfs/dbraw/zinc/20/50/54/570205054.db2.gz AJECTNHKGXUTEQ-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccc(C)cc2)cc1 ZINC000408572907 570205064 /nfs/dbraw/zinc/20/50/64/570205064.db2.gz ALUZQCVHQGSCRR-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000408573243 570205142 /nfs/dbraw/zinc/20/51/42/570205142.db2.gz NBWLTQSLTHCWDR-WYMLVPIESA-N 0 0 497.555 5.654 40 0 JKABRN COC(=O)c1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)sc2c1CCC2 ZINC000408573315 570205156 /nfs/dbraw/zinc/20/51/56/570205156.db2.gz AXSHWSUFKWFKAY-VWLOTQADSA-N 0 0 492.622 5.050 40 0 JKABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408573398 570205171 /nfs/dbraw/zinc/20/51/71/570205171.db2.gz BDSOPBSPRXGQPE-GOSISDBHSA-N 0 0 496.394 5.223 40 0 JKABRN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408573349 570205176 /nfs/dbraw/zinc/20/51/76/570205176.db2.gz CCORVYHOWCRDRN-UHFFFAOYSA-N 0 0 488.012 6.210 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2cccc(Cl)c2Cl)cc1 ZINC000408573348 570205190 /nfs/dbraw/zinc/20/51/90/570205190.db2.gz CAUAGEMTTZWKJL-UHFFFAOYSA-N 0 0 483.461 5.726 40 0 JKABRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000408573869 570205270 /nfs/dbraw/zinc/20/52/70/570205270.db2.gz PJUDXRZFEJKXJH-DTQAZKPQSA-N 0 0 462.505 6.905 40 0 JKABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000408573894 570205275 /nfs/dbraw/zinc/20/52/75/570205275.db2.gz QBEYRVMACJFWDS-DHZHZOJOSA-N 0 0 454.964 5.440 40 0 JKABRN COC(=O)c1c2c(sc1NC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)CCC2 ZINC000408573987 570205309 /nfs/dbraw/zinc/20/53/09/570205309.db2.gz GQPDWBQXGFUZOC-UHFFFAOYSA-N 0 0 458.004 6.221 40 0 JKABRN Cc1cccc(C)c1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408574169 570205357 /nfs/dbraw/zinc/20/53/57/570205357.db2.gz CRZKOVQFKAOVDA-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN Cc1cccc(C)c1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)Nc1ccccc1Cl ZINC000408574114 570205368 /nfs/dbraw/zinc/20/53/68/570205368.db2.gz CFYITSBFNHQFBR-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000408574504 570205400 /nfs/dbraw/zinc/20/54/00/570205400.db2.gz RKNXCZSEQCAMGU-WYMLVPIESA-N 0 0 457.511 5.318 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000408574334 570205424 /nfs/dbraw/zinc/20/54/24/570205424.db2.gz HDMBRRNYEGMYKO-HHHXNRCGSA-N 0 0 488.609 5.670 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccc(C)cc2C)cc1 ZINC000408574681 570205438 /nfs/dbraw/zinc/20/54/38/570205438.db2.gz CZMGWXBSEPTIKL-UHFFFAOYSA-N 0 0 477.413 5.753 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408574541 570205464 /nfs/dbraw/zinc/20/54/64/570205464.db2.gz RURTVQVBXFKFPU-VQHVLOKHSA-N 0 0 451.762 6.433 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000408574827 570205523 /nfs/dbraw/zinc/20/55/23/570205523.db2.gz DVRBGVNHKQSKNK-UHFFFAOYSA-N 0 0 480.564 5.596 40 0 JKABRN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408574787 570205538 /nfs/dbraw/zinc/20/55/38/570205538.db2.gz LEGVEDWUSZJXDF-KYCFSCSMSA-N 0 0 460.961 5.428 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc(Br)cc3)ccc21 ZINC000408574970 570205578 /nfs/dbraw/zinc/20/55/78/570205578.db2.gz HFYOCNTYZJNHGK-UHFFFAOYSA-N 0 0 453.405 6.449 40 0 JKABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000408575314 570205605 /nfs/dbraw/zinc/20/56/05/570205605.db2.gz UEYQAHJMENKDGS-UHFFFAOYSA-N 0 0 457.378 5.042 40 0 JKABRN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)ccc3o2)c1 ZINC000408575244 570205620 /nfs/dbraw/zinc/20/56/20/570205620.db2.gz TYBLOOZPWKHVIK-NTCAYCPXSA-N 0 0 479.561 6.590 40 0 JKABRN O=C(Nc1cccc(Cl)c1)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Cl)ccc21 ZINC000408575617 570205737 /nfs/dbraw/zinc/20/57/37/570205737.db2.gz FDULOVGEWMNOHE-UHFFFAOYSA-N 0 0 485.302 5.048 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000408576313 570205882 /nfs/dbraw/zinc/20/58/82/570205882.db2.gz GKSUDAIBYFYEED-UHFFFAOYSA-N 0 0 479.385 5.226 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC ZINC000408576484 570205947 /nfs/dbraw/zinc/20/59/47/570205947.db2.gz WCBTXJRCSQQERZ-KRWDZBQOSA-N 0 0 499.032 5.449 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000408576905 570206020 /nfs/dbraw/zinc/20/60/20/570206020.db2.gz YTCOHHYMAOKBGP-NTCAYCPXSA-N 0 0 499.979 6.935 40 0 JKABRN Cc1ccc(C)c(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)cc3)cc3cc(Cl)ccc32)c1 ZINC000408576928 570206030 /nfs/dbraw/zinc/20/60/30/570206030.db2.gz HJNPJWKDXLYXHN-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2Cl)c1 ZINC000408577056 570206069 /nfs/dbraw/zinc/20/60/69/570206069.db2.gz IDMCICKHAQMKLB-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(OC)c1OC ZINC000408577142 570206071 /nfs/dbraw/zinc/20/60/71/570206071.db2.gz WVNCKYKQRWERDQ-GXDHUFHOSA-N 0 0 451.906 5.249 40 0 JKABRN COC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CCN(C)C2 ZINC000408577348 570206143 /nfs/dbraw/zinc/20/61/43/570206143.db2.gz ZRKTWZIXRMBSSC-UHFFFAOYSA-N 0 0 452.601 5.067 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000408578317 570206277 /nfs/dbraw/zinc/20/62/77/570206277.db2.gz KSGBTCHXZHFIGR-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)c(C)c3)cc3cc(Cl)ccc32)c(C)c1 ZINC000408578631 570206334 /nfs/dbraw/zinc/20/63/34/570206334.db2.gz LDHFDBCBMKTOSZ-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccc(F)cc2)cc1 ZINC000408579411 570206450 /nfs/dbraw/zinc/20/64/50/570206450.db2.gz HBYRHIJYOLMSKW-UHFFFAOYSA-N 0 0 497.375 5.365 40 0 JKABRN O=C(Nc1ccc(F)cc1)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408579128 570206469 /nfs/dbraw/zinc/20/64/69/570206469.db2.gz MWTKEVFLNXDXTD-UHFFFAOYSA-N 0 0 485.302 5.048 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1OC ZINC000408579379 570206470 /nfs/dbraw/zinc/20/64/70/570206470.db2.gz GOJHJNLXNOTJRY-UHFFFAOYSA-N 0 0 495.384 5.088 40 0 JKABRN C[C@H](NC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21)c1ccccc1 ZINC000408579775 570206534 /nfs/dbraw/zinc/20/65/34/570206534.db2.gz OWWDPICHRDCOHW-HNNXBMFYSA-N 0 0 495.366 5.148 40 0 JKABRN CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000408580486 570206554 /nfs/dbraw/zinc/20/65/54/570206554.db2.gz QXUZRWAYJQNJFL-UHFFFAOYSA-N 0 0 488.975 5.435 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000408580548 570206644 /nfs/dbraw/zinc/20/66/44/570206644.db2.gz RFNYMBKYHLVEPD-UHFFFAOYSA-N 0 0 475.703 5.070 40 0 JKABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000408580911 570206699 /nfs/dbraw/zinc/20/66/99/570206699.db2.gz RVMQWGLIIOZJFQ-GOSISDBHSA-N 0 0 496.394 5.223 40 0 JKABRN CCc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)cc3)cc3cc(Cl)ccc32)cc1 ZINC000408580968 570206739 /nfs/dbraw/zinc/20/67/39/570206739.db2.gz SBPVOLGFLXNINR-UHFFFAOYSA-N 0 0 495.366 5.472 40 0 JKABRN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000408581400 570206742 /nfs/dbraw/zinc/20/67/42/570206742.db2.gz SWJOPZIKWCEUTA-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN COc1cccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408581384 570206768 /nfs/dbraw/zinc/20/67/68/570206768.db2.gz SRRBQVVPYVFKNH-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)NC1CCCCC1 ZINC000408581686 570206769 /nfs/dbraw/zinc/20/67/69/570206769.db2.gz ADKQZSHCTBWWOL-UHFFFAOYSA-N 0 0 462.615 5.125 40 0 JKABRN Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)c1 ZINC000408581616 570206795 /nfs/dbraw/zinc/20/67/95/570206795.db2.gz JQONKCVMEMURSB-UHFFFAOYSA-N 0 0 496.352 6.273 40 0 JKABRN CCOC(=O)c1sc(NC(=O)CSc2nc3ccccc3[nH]2)c(C(=O)Nc2ccccc2)c1C ZINC000408581946 570206851 /nfs/dbraw/zinc/20/68/51/570206851.db2.gz JWQKIKPHISAXSA-UHFFFAOYSA-N 0 0 494.598 5.093 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NC1CCCCCCC1 ZINC000408581765 570206853 /nfs/dbraw/zinc/20/68/53/570206853.db2.gz AJWYFKRFXWUVSJ-UHFFFAOYSA-N 0 0 485.433 5.402 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1C ZINC000408582223 570206904 /nfs/dbraw/zinc/20/69/04/570206904.db2.gz VZAFHBVCNJXIIF-GOSISDBHSA-N 0 0 488.975 5.111 40 0 JKABRN Cc1cccc(C)c1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)N[C@@H](C)c1ccccc1 ZINC000408582205 570206912 /nfs/dbraw/zinc/20/69/12/570206912.db2.gz VWGFQGWPDTVHHS-SFHVURJKSA-N 0 0 488.975 5.111 40 0 JKABRN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cccc(Cl)c2)c1 ZINC000408582312 570206924 /nfs/dbraw/zinc/20/69/24/570206924.db2.gz WJWIKQLZXFZMDW-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccc(C(C)C)cc2)cc1 ZINC000408582476 570206972 /nfs/dbraw/zinc/20/69/72/570206972.db2.gz WRYRUFOBEPHFBJ-UHFFFAOYSA-N 0 0 491.440 6.259 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1)N1CCCCCC1 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/nfs/dbraw/zinc/18/49/64/195184964.db2.gz KTDWHAPLMQCGFK-UHFFFAOYSA-N 0 0 474.923 6.596 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4Br)cc3n2)cc1 ZINC000020611311 195185105 /nfs/dbraw/zinc/18/51/05/195185105.db2.gz YJABLBFYAJAHEY-UHFFFAOYSA-N 0 0 495.377 5.134 40 0 JKABRN CCc1nc(SCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)n[nH]1 ZINC000020611434 195185325 /nfs/dbraw/zinc/18/53/25/195185325.db2.gz LGSZUIYCVDYAES-UHFFFAOYSA-N 0 0 473.385 6.479 40 0 JKABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020611613 195185653 /nfs/dbraw/zinc/18/56/53/195185653.db2.gz UYQUASOHXRQAEL-UHFFFAOYSA-N 0 0 479.733 5.591 40 0 JKABRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4cccc5ccccc54)nn3cc21 ZINC000020632548 195191017 /nfs/dbraw/zinc/19/10/17/195191017.db2.gz JEFGYIHKFPLJMP-IBGZPJMESA-N 0 0 470.985 6.136 40 0 JKABRN Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(Br)cc5)nc4nc3C2)cc1 ZINC000020632481 195191144 /nfs/dbraw/zinc/19/11/44/195191144.db2.gz BBHDHLRMTPNEOV-QGZVFWFLSA-N 0 0 479.403 5.400 40 0 JKABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000020634761 195191443 /nfs/dbraw/zinc/19/14/43/195191443.db2.gz QMKFSUXIMKEVHY-DEOSSOPVSA-N 0 0 470.525 5.308 40 0 JKABRN CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(C)nn2c1CSc1ccc(C)cc1 ZINC000020633617 195191447 /nfs/dbraw/zinc/19/14/47/195191447.db2.gz NZGSEYQMPNLOMU-UHFFFAOYSA-N 0 0 497.418 5.640 40 0 JKABRN CCCCOc1ccc([C@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)cc1OC ZINC000020633489 195191457 /nfs/dbraw/zinc/19/14/57/195191457.db2.gz BYTPORTVRPAZJO-VWLOTQADSA-N 0 0 463.578 5.856 40 0 JKABRN CCCOc1ccc([C@@H]2C(C(=O)OCC)C(c3ccccc3)=Nc3nc4ccccc4n32)cc1OC ZINC000020633427 195191471 /nfs/dbraw/zinc/19/14/71/195191471.db2.gz ZLDCBCAHNUATDR-HHHXNRCGSA-N 0 0 483.568 5.823 40 0 JKABRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)c(OCC)c1 ZINC000020633504 195191505 /nfs/dbraw/zinc/19/15/05/195191505.db2.gz CFWATBRLNWKIRE-RUZDIDTESA-N 0 0 463.578 5.712 40 0 JKABRN CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1CSc1ccc(Cl)cc1 ZINC000020633638 195191535 /nfs/dbraw/zinc/19/15/35/195191535.db2.gz LTVIAHSEIONINW-UHFFFAOYSA-N 0 0 473.385 5.876 40 0 JKABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(OCCC(C)C)c(OC)c2)C1C(=O)OCC ZINC000020633310 195191553 /nfs/dbraw/zinc/19/15/53/195191553.db2.gz VLRJAOJMLQVLJW-SANMLTNESA-N 0 0 477.605 6.102 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1-c1ccc(Cl)cc1 ZINC000020633829 195191559 /nfs/dbraw/zinc/19/15/59/195191559.db2.gz GNXCEAOTEBPCRT-UHFFFAOYSA-N 0 0 483.959 6.360 40 0 JKABRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 ZINC000020632605 195191577 /nfs/dbraw/zinc/19/15/77/195191577.db2.gz PMGQMEKFFGCOHI-HNNXBMFYSA-N 0 0 455.370 5.636 40 0 JKABRN CCOC(=O)c1nnc2c(-c3cccc4ccccc43)c(C)nn2c1CSc1ccc(C)cc1 ZINC000020633629 195191583 /nfs/dbraw/zinc/19/15/83/195191583.db2.gz GITKEVXLTKDNGJ-UHFFFAOYSA-N 0 0 468.582 6.030 40 0 JKABRN O=c1cc(-c2ccccc2Cl)nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[nH]1 ZINC000020634935 195191686 /nfs/dbraw/zinc/19/16/86/195191686.db2.gz KNNTYMXCMSQMTM-UHFFFAOYSA-N 0 0 460.324 6.098 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3cc(C)ccc3OC)c2C)c1-c1cccc2ccccc21 ZINC000020672820 195199014 /nfs/dbraw/zinc/19/90/14/195199014.db2.gz NQLCBAFCUOULBX-UHFFFAOYSA-N 0 0 451.530 5.385 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(Cl)c(C)c3)c2C)c1-c1ccc(Br)cc1 ZINC000020672872 195199125 /nfs/dbraw/zinc/19/91/25/195199125.db2.gz QINJTIUPFXJEPM-UHFFFAOYSA-N 0 0 484.785 5.639 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)OCC)C1=O ZINC000020675279 195200067 /nfs/dbraw/zinc/20/00/67/195200067.db2.gz IZKVHZRNHCVIBQ-VQTJNVASSA-N 0 0 460.361 5.259 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(OCCC(C)C)cc2)[C@H](C(=O)OCC)C1=O ZINC000020675864 195200376 /nfs/dbraw/zinc/20/03/76/195200376.db2.gz SLULCXVOLZJUKL-UIOOFZCWSA-N 0 0 491.632 5.767 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(OCCC)cc2)[C@H](C(=O)OCC)C1=O ZINC000020675847 195200407 /nfs/dbraw/zinc/20/04/07/195200407.db2.gz YSEISVKWHOMFSO-BJKOFHAPSA-N 0 0 463.578 5.131 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(SC)cc2)[C@H](C(=O)OCC)C1=O ZINC000020675686 195200448 /nfs/dbraw/zinc/20/04/48/195200448.db2.gz ZQGGTJAAZMKLRP-FCHUYYIVSA-N 0 0 451.592 5.064 40 0 JKABRN O=C1C[C@@H](c2ccc(F)cc2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000020671492 195198480 /nfs/dbraw/zinc/19/84/80/195198480.db2.gz KKUVZADMXJWKKN-HNNXBMFYSA-N 0 0 483.366 5.231 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2C)c1-c1cccc2ccccc21 ZINC000020672799 195198672 /nfs/dbraw/zinc/19/86/72/195198672.db2.gz HPPQOQRCIFWKDL-UHFFFAOYSA-N 0 0 475.474 6.086 40 0 JKABRN CCCCOc1cccc([C@@H]2C(C(=O)OCC)C(c3ccccc3)=Nc3nc4ccccc4n32)c1 ZINC000020672424 195198770 /nfs/dbraw/zinc/19/87/70/195198770.db2.gz NWOFOYAVJAGHPV-HHHXNRCGSA-N 0 0 467.569 6.205 40 0 JKABRN CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5Cl)nc4nc3C2)cc1 ZINC000020671724 195198810 /nfs/dbraw/zinc/19/88/10/195198810.db2.gz HOAHNMRLXLTIDE-LJQANCHMSA-N 0 0 463.006 6.106 40 0 JKABRN CCCOc1ccc([C@@H]2C(C(=O)OCC)C(c3ccccc3)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672284 195198822 /nfs/dbraw/zinc/19/88/22/195198822.db2.gz DEICAPLQSAWEQT-MUUNZHRXSA-N 0 0 497.595 6.213 40 0 JKABRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1Cl ZINC000020750646 195215625 /nfs/dbraw/zinc/21/56/25/195215625.db2.gz NETFEFZDGQFQMX-UHFFFAOYSA-N 0 0 462.962 5.598 40 0 JKABRN CC(C)OC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000020759871 195217335 /nfs/dbraw/zinc/21/73/35/195217335.db2.gz SAJPKFDZXGFENH-UHFFFAOYSA-N 0 0 466.346 5.339 40 0 JKABRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000020765710 195221061 /nfs/dbraw/zinc/22/10/61/195221061.db2.gz UPIQBRNOLJHDFR-UHFFFAOYSA-N 0 0 460.477 5.099 40 0 JKABRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21 ZINC000020765781 195221080 /nfs/dbraw/zinc/22/10/80/195221080.db2.gz WJYAPQSFJDYUNH-UHFFFAOYSA-N 0 0 496.632 5.671 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Oc5ccccc5)cc4)ccc32)cc1 ZINC000020766108 195221256 /nfs/dbraw/zinc/22/12/56/195221256.db2.gz WJEFEFWXUUQOEI-UHFFFAOYSA-N 0 0 498.604 6.181 40 0 JKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766449 195221567 /nfs/dbraw/zinc/22/15/67/195221567.db2.gz ULRRBUSHDHVFSQ-UHFFFAOYSA-N 0 0 475.397 5.696 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000020766378 195221583 /nfs/dbraw/zinc/22/15/83/195221583.db2.gz LOWQKSDRXHTIIV-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc21 ZINC000020766461 195221665 /nfs/dbraw/zinc/22/16/65/195221665.db2.gz CLNJDYYKGKUTJC-UHFFFAOYSA-N 0 0 495.815 6.041 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000020766382 195221726 /nfs/dbraw/zinc/22/17/26/195221726.db2.gz KRAZYIDNGGHMIZ-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 ZINC000020766424 195221819 /nfs/dbraw/zinc/22/18/19/195221819.db2.gz FFJGRAFFYYQWMD-UHFFFAOYSA-N 0 0 461.370 5.387 40 0 JKABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766816 195222228 /nfs/dbraw/zinc/22/22/28/195222228.db2.gz VXDLEUSYQPFRRK-UHFFFAOYSA-N 0 0 458.942 5.181 40 0 JKABRN CCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767149 195222426 /nfs/dbraw/zinc/22/24/26/195222426.db2.gz JMTRDBMVXSMJJZ-UHFFFAOYSA-N 0 0 454.979 5.296 40 0 JKABRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000020767204 195222578 /nfs/dbraw/zinc/22/25/78/195222578.db2.gz PJZQOLFBZOQBPE-UHFFFAOYSA-N 0 0 495.815 6.041 40 0 JKABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21 ZINC000020766913 195222592 /nfs/dbraw/zinc/22/25/92/195222592.db2.gz LZKVQSGTRLZBIY-UHFFFAOYSA-N 0 0 492.616 5.062 40 0 JKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2c(C)cccc2CC)cc1 ZINC000020794332 195225843 /nfs/dbraw/zinc/22/58/43/195225843.db2.gz RUYOAVWQWGANAB-UHFFFAOYSA-N 0 0 486.641 5.858 40 0 JKABRN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C(C)C)cc2)n2c3ccccc3nc2N1 ZINC000020797399 195225995 /nfs/dbraw/zinc/22/59/95/195225995.db2.gz KQVSMCYCYBTZSA-VWLOTQADSA-N 0 0 456.977 6.741 40 0 JKABRN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 ZINC000020797473 195226016 /nfs/dbraw/zinc/22/60/16/195226016.db2.gz YOGAAMJJXVRUAK-JOCHJYFZSA-N 0 0 493.792 6.380 40 0 JKABRN COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)c(OC)c1 ZINC000020797544 195226025 /nfs/dbraw/zinc/22/60/25/195226025.db2.gz SLRBYJOOXZXTHT-DEOSSOPVSA-N 0 0 474.948 5.635 40 0 JKABRN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797427 195226122 /nfs/dbraw/zinc/22/61/22/195226122.db2.gz PXNUGISTQCRCJS-DEOSSOPVSA-N 0 0 458.949 6.016 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1Br ZINC000020969635 195257494 /nfs/dbraw/zinc/25/74/94/195257494.db2.gz MYWHCVHBFQBUTD-UHFFFAOYSA-N 0 0 457.711 6.172 40 0 JKABRN CSc1ccc([C@@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970414 195257622 /nfs/dbraw/zinc/25/76/22/195257622.db2.gz YNNOBZPJVYRKNK-HSZRJFAPSA-N 0 0 460.990 6.339 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020970217 195257738 /nfs/dbraw/zinc/25/77/38/195257738.db2.gz SRFFTFBLSHASIN-AREMUKBSSA-N 0 0 468.557 5.544 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000020970228 195257800 /nfs/dbraw/zinc/25/78/00/195257800.db2.gz BIZMYHZASSIXMU-VWLOTQADSA-N 0 0 454.530 5.241 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl ZINC000021005583 195265660 /nfs/dbraw/zinc/26/56/60/195265660.db2.gz LMZROWGBPSWERX-QHCPKHFHSA-N 0 0 464.352 6.332 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(C(C)C)cc2)n2c3ccccc3nc2N1 ZINC000021005504 195265730 /nfs/dbraw/zinc/26/57/30/195265730.db2.gz JTHRSXOLMDNQTO-VWLOTQADSA-N 0 0 456.977 6.741 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1OC ZINC000021005602 195265757 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ALKQJOJIGXTBSK-SFHVURJKSA-N 0 0 483.033 6.075 40 0 JKABRN CCOC(=O)c1cc(NC(=O)COc2ccc(C(C)C)cc2Br)ccc1Cl ZINC000022525904 521438641 /nfs/dbraw/zinc/43/86/41/521438641.db2.gz FFQKYJMARVPUTC-UHFFFAOYSA-N 0 0 454.748 5.420 40 0 JKABRN CCOC(=O)c1ccc(CC(=O)N[C@H](CC(C)C)c2ccccc2N2CCCCC2)cc1OCC ZINC000034135601 521471890 /nfs/dbraw/zinc/47/18/90/521471890.db2.gz FTCMVLQJMIXDSI-RUZDIDTESA-N 0 0 480.649 5.698 40 0 JKABRN CCOc1ccccc1CNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020494920 521490494 /nfs/dbraw/zinc/49/04/94/521490494.db2.gz JREUUFGQOWMHID-UHFFFAOYSA-N 0 0 480.630 5.029 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Cl ZINC000044842102 521496255 /nfs/dbraw/zinc/49/62/55/521496255.db2.gz UQBZFFKKQHTQCP-UHFFFAOYSA-N 0 0 468.775 5.594 40 0 JKABRN CCOc1ccccc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020486496 521512442 /nfs/dbraw/zinc/51/24/42/521512442.db2.gz JZNJLSUXNUSRLD-HSZRJFAPSA-N 0 0 499.032 5.128 40 0 JKABRN CCOc1ccccc1NC(=O)Cn1nc(COc2ccccc2)n(-c2ccc(C)cc2)c1=S ZINC000016769112 521535290 /nfs/dbraw/zinc/53/52/90/521535290.db2.gz UETGCERKJKFLMF-UHFFFAOYSA-N 0 0 474.586 5.328 40 0 JKABRN CCOc1ccccc1[C@@H]1N(c2ccc(Cl)cc2)N=C(C(C)=O)N1c1ccc(Br)cc1 ZINC000016693433 521580435 /nfs/dbraw/zinc/58/04/35/521580435.db2.gz FJWQSKWVTBBWCT-DEOSSOPVSA-N 0 0 498.808 6.429 40 0 JKABRN CCCn1c2nnc(SCc3ccc(C)cc3)n2c2cc(C(=O)NC3CCCCC3)ccc2c1=O ZINC000033256645 521642189 /nfs/dbraw/zinc/64/21/89/521642189.db2.gz IKBCFLCWQNDOOK-UHFFFAOYSA-N 0 0 489.645 5.117 40 0 JKABRN COC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc(C)c1-c1cccc(Cl)c1 ZINC000028284478 521766579 /nfs/dbraw/zinc/76/65/79/521766579.db2.gz MSJHKFJFGIXQCJ-UHFFFAOYSA-N 0 0 457.979 6.304 40 0 JKABRN CCSc1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020482313 521774149 /nfs/dbraw/zinc/77/41/49/521774149.db2.gz QGWMMDNALORUOY-UHFFFAOYSA-N 0 0 475.035 5.594 40 0 JKABRN CCSc1ccccc1NC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 ZINC000020489352 521774547 /nfs/dbraw/zinc/77/45/47/521774547.db2.gz MYQMEJILHXPJFV-UHFFFAOYSA-N 0 0 468.644 5.503 40 0 JKABRN CCSc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020461045 521778183 /nfs/dbraw/zinc/77/81/83/521778183.db2.gz WFHHKKLVEPRFLJ-UHFFFAOYSA-N 0 0 461.008 5.814 40 0 JKABRN CCSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020454374 521778315 /nfs/dbraw/zinc/77/83/15/521778315.db2.gz UMFMSJINHKJOKN-SANMLTNESA-N 0 0 462.640 5.868 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000022818629 521840669 /nfs/dbraw/zinc/84/06/69/521840669.db2.gz GPGCNKNSYKCZBZ-UHFFFAOYSA-N 0 0 498.410 5.525 40 0 JKABRN COC(=O)c1cc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)ccc1Cl ZINC000020459344 521889362 /nfs/dbraw/zinc/88/93/62/521889362.db2.gz HSWQYAFRMATLJR-UHFFFAOYSA-N 0 0 493.368 5.142 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4c(OC)cccc4OC)c3)nc2c1 ZINC000022747721 522043342 /nfs/dbraw/zinc/04/33/42/522043342.db2.gz VTOBAMVQHXDBJF-INIZCTEOSA-N 0 0 489.597 6.152 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 ZINC000022754197 522044395 /nfs/dbraw/zinc/04/43/95/522044395.db2.gz RKPPOYZRQLLUST-JTQLQIEISA-N 0 0 494.847 7.610 40 0 JKABRN COC(=O)c1ccc(Cn2nc(-c3ccc(OC)cc3)c(Cl)c2-c2ccc(OC)cc2)cc1 ZINC000022571485 522064822 /nfs/dbraw/zinc/06/48/22/522064822.db2.gz AJTSFGXDVDQFRD-UHFFFAOYSA-N 0 0 462.933 5.723 40 0 JKABRN COC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)o1 ZINC000022748422 522065549 /nfs/dbraw/zinc/06/55/49/522065549.db2.gz KUFTZPKKABMSIP-UHFFFAOYSA-N 0 0 490.409 5.848 40 0 JKABRN COC(=O)c1ccccc1CCC(=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 ZINC000071605763 522260372 /nfs/dbraw/zinc/26/03/72/522260372.db2.gz INXATVZSQVIIHJ-ZROIWOOFSA-N 0 0 455.941 6.661 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022428292 522382676 /nfs/dbraw/zinc/38/26/76/522382676.db2.gz UYUNFAGEGBMUGY-VWLOTQADSA-N 0 0 450.604 5.273 40 0 JKABRN CC[C@H](NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000022429397 522382962 /nfs/dbraw/zinc/38/29/62/522382962.db2.gz DOZSZFGDHOZIMO-QHCPKHFHSA-N 0 0 471.022 5.420 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000022429459 522383829 /nfs/dbraw/zinc/38/38/29/522383829.db2.gz FFBXMAACKBYONL-QHCPKHFHSA-N 0 0 471.022 5.420 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000022429986 522383940 /nfs/dbraw/zinc/38/39/40/522383940.db2.gz TWUMCWLWSORPTG-NRFANRHFSA-N 0 0 491.440 5.765 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000020494763 522384169 /nfs/dbraw/zinc/38/41/69/522384169.db2.gz PBLXZBQTMSKLBZ-QHCPKHFHSA-N 0 0 490.547 5.477 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000022430228 522384261 /nfs/dbraw/zinc/38/42/61/522384261.db2.gz VKUDALSIZPLSCQ-VWLOTQADSA-N 0 0 450.604 5.075 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000044903430 522384455 /nfs/dbraw/zinc/38/44/55/522384455.db2.gz IMPGGKMXKVCUEH-QHCPKHFHSA-N 0 0 456.995 5.111 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000020483791 522384513 /nfs/dbraw/zinc/38/45/13/522384513.db2.gz CACWDVCOVUILKT-VWLOTQADSA-N 0 0 464.631 5.383 40 0 JKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccc(OC)cc1 ZINC000044949980 522530864 /nfs/dbraw/zinc/53/08/64/522530864.db2.gz RVZTYTHSXWNDOP-QHCPKHFHSA-N 0 0 466.603 5.302 40 0 JKABRN CC[C@H](NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000020460829 522531095 /nfs/dbraw/zinc/53/10/95/522531095.db2.gz YABPXYWQEHMASY-VWLOTQADSA-N 0 0 450.604 5.151 40 0 JKABRN CC[C@H](NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000020492764 522533403 /nfs/dbraw/zinc/53/34/03/522533403.db2.gz LFAISJMAWXVDAG-DEOSSOPVSA-N 0 0 471.022 5.496 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000022431813 522682924 /nfs/dbraw/zinc/68/29/24/522682924.db2.gz IKMJVGKKJHRPSJ-XMMPIXPASA-N 0 0 485.049 5.728 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000022430293 522683803 /nfs/dbraw/zinc/68/38/03/522683803.db2.gz FPHZVSUMWGWPHB-RUZDIDTESA-N 0 0 450.604 5.075 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000020483789 522684729 /nfs/dbraw/zinc/68/47/29/522684729.db2.gz CACWDVCOVUILKT-RUZDIDTESA-N 0 0 464.631 5.383 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000020494759 522685729 /nfs/dbraw/zinc/68/57/29/522685729.db2.gz PBLXZBQTMSKLBZ-HSZRJFAPSA-N 0 0 490.547 5.477 40 0 JKABRN CCc1nn2c(ncc3c(=O)n(CCc4c[nH]c5ccc(OC)cc45)ccc32)c1-c1ccc(F)cc1 ZINC000040396810 522711249 /nfs/dbraw/zinc/71/12/49/522711249.db2.gz ZEIRUPXHTSZMBM-UHFFFAOYSA-N 0 0 481.531 5.145 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000022514671 522786174 /nfs/dbraw/zinc/78/61/74/522786174.db2.gz SLVAYVGJDQBOHP-RUZDIDTESA-N 0 0 450.604 5.151 40 0 JKABRN CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000044900582 522786679 /nfs/dbraw/zinc/78/66/79/522786679.db2.gz HRHXOHNJOIWZPO-BVAGGSTKSA-N 0 0 465.018 5.995 40 0 JKABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1 ZINC000032127931 522849110 /nfs/dbraw/zinc/84/91/10/522849110.db2.gz UAFFQSXFEIORKI-UHFFFAOYSA-N 0 0 483.549 5.792 40 0 JKABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000022716261 522849456 /nfs/dbraw/zinc/84/94/56/522849456.db2.gz QNIXLENWEUNFDM-UHFFFAOYSA-N 0 0 479.583 5.121 40 0 JKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000022521747 522867767 /nfs/dbraw/zinc/86/77/67/522867767.db2.gz CTIKOQPLWMQJLU-QHCPKHFHSA-N 0 0 466.603 5.517 40 0 JKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000044903670 522867975 /nfs/dbraw/zinc/86/79/75/522867975.db2.gz BSAHYTWIWHBEGY-QHCPKHFHSA-N 0 0 487.021 5.862 40 0 JKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000020458151 522871149 /nfs/dbraw/zinc/87/11/49/522871149.db2.gz QFCLOQUVJPFNOJ-DEOSSOPVSA-N 0 0 487.021 5.862 40 0 JKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000022520695 522871634 /nfs/dbraw/zinc/87/16/34/522871634.db2.gz RESXCLOFSJDDNS-VWLOTQADSA-N 0 0 490.600 5.089 40 0 JKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000044839656 522872808 /nfs/dbraw/zinc/87/28/08/522872808.db2.gz RJBZRNYPTFKXPV-VWLOTQADSA-N 0 0 466.603 5.517 40 0 JKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020489915 522874566 /nfs/dbraw/zinc/87/45/66/522874566.db2.gz HHPCMUAAFWMRBD-VWLOTQADSA-N 0 0 460.574 6.041 40 0 JKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000020450727 522874890 /nfs/dbraw/zinc/87/48/90/522874890.db2.gz MBECAYMRMUVFBD-QHCPKHFHSA-N 0 0 456.539 5.039 40 0 JKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000020460012 522875054 /nfs/dbraw/zinc/87/50/54/522875054.db2.gz SBLNLVDHTTWMIS-QFIPXVFZSA-N 0 0 476.957 5.384 40 0 JKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000020494438 522875110 /nfs/dbraw/zinc/87/51/10/522875110.db2.gz NUXLSJANMCRONF-NRFANRHFSA-N 0 0 496.482 5.441 40 0 JKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000044900869 522878926 /nfs/dbraw/zinc/87/89/26/522878926.db2.gz BYZZHXSOZCHOFY-VWLOTQADSA-N 0 0 466.603 5.201 40 0 JKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000044841793 522879036 /nfs/dbraw/zinc/87/90/36/522879036.db2.gz XKWBCBVVYKYFIV-MHZLTWQESA-N 0 0 488.609 6.054 40 0 JKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000020456540 522883051 /nfs/dbraw/zinc/88/30/51/522883051.db2.gz AQJSSMBCQXOAQQ-QFIPXVFZSA-N 0 0 493.412 5.899 40 0 JKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000044850500 522883458 /nfs/dbraw/zinc/88/34/58/522883458.db2.gz MAGMYQXCJANAQF-VWLOTQADSA-N 0 0 458.602 6.649 40 0 JKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000022515208 522883527 /nfs/dbraw/zinc/88/35/27/522883527.db2.gz KZYCUVHVFKYSFI-QHCPKHFHSA-N 0 0 452.576 5.209 40 0 JKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000044945955 522883684 /nfs/dbraw/zinc/88/36/84/522883684.db2.gz AUFLYWFFLBXOCA-NRFANRHFSA-N 0 0 479.385 5.590 40 0 JKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000020492509 522884935 /nfs/dbraw/zinc/88/49/35/522884935.db2.gz PFNKZYKNIIMKBI-QFIPXVFZSA-N 0 0 472.994 5.554 40 0 JKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000022529921 522884990 /nfs/dbraw/zinc/88/49/90/522884990.db2.gz IRFNULXJYJUCHA-DEOSSOPVSA-N 0 0 466.603 5.517 40 0 JKABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000022531344 522893681 /nfs/dbraw/zinc/89/36/81/522893681.db2.gz AMADAFZMCZHXTH-QFIPXVFZSA-N 0 0 472.994 5.554 40 0 JKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000020486491 522896992 /nfs/dbraw/zinc/89/69/92/522896992.db2.gz YTKDRHLUBFZHPZ-NRFANRHFSA-N 0 0 493.412 5.899 40 0 JKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000020459849 522897742 /nfs/dbraw/zinc/89/77/42/522897742.db2.gz DZSPNHRCIWFLBT-QFIPXVFZSA-N 0 0 472.994 5.554 40 0 JKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000020460538 522897757 /nfs/dbraw/zinc/89/77/57/522897757.db2.gz DRCBCDBJLFAWEE-FQEVSTJZSA-N 0 0 462.930 5.076 40 0 JKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000020460199 522897913 /nfs/dbraw/zinc/89/79/13/522897913.db2.gz SEGYAKYJUPEHLP-QFIPXVFZSA-N 0 0 496.991 5.126 40 0 JKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000044903612 522918612 /nfs/dbraw/zinc/91/86/12/522918612.db2.gz HQNNSWMRKSVWKN-NRFANRHFSA-N 0 0 495.453 6.304 40 0 JKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000020451403 522919444 /nfs/dbraw/zinc/91/94/44/522919444.db2.gz AYGUQEXBFYARHD-HXOBKFHXSA-N 0 0 453.007 6.340 40 0 JKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020483545 522919939 /nfs/dbraw/zinc/91/99/39/522919939.db2.gz IFSDBKALRIPXTM-DEOSSOPVSA-N 0 0 466.046 7.378 40 0 JKABRN COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)ccc1OCc1ccccc1 ZINC000017086256 522951654 /nfs/dbraw/zinc/95/16/54/522951654.db2.gz VINKIQXGPGDROV-MHZLTWQESA-N 0 0 495.583 5.410 40 0 JKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000022521742 523038691 /nfs/dbraw/zinc/03/86/91/523038691.db2.gz CTIKOQPLWMQJLU-HSZRJFAPSA-N 0 0 466.603 5.517 40 0 JKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000044900871 523046521 /nfs/dbraw/zinc/04/65/21/523046521.db2.gz BYZZHXSOZCHOFY-RUZDIDTESA-N 0 0 466.603 5.201 40 0 JKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000020450582 523046795 /nfs/dbraw/zinc/04/67/95/523046795.db2.gz LBJGEVYMXPAWHL-AREMUKBSSA-N 0 0 490.581 5.445 40 0 JKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000022534056 523046818 /nfs/dbraw/zinc/04/68/18/523046818.db2.gz BZWYSPMLUBKMGW-AREMUKBSSA-N 0 0 488.609 6.054 40 0 JKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000022524598 523046878 /nfs/dbraw/zinc/04/68/78/523046878.db2.gz VSTOQAQWEANQRN-HHHXNRCGSA-N 0 0 452.554 5.608 40 0 JKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000020492508 523050981 /nfs/dbraw/zinc/05/09/81/523050981.db2.gz PFNKZYKNIIMKBI-JOCHJYFZSA-N 0 0 472.994 5.554 40 0 JKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000022529916 523051271 /nfs/dbraw/zinc/05/12/71/523051271.db2.gz IRFNULXJYJUCHA-XMMPIXPASA-N 0 0 466.603 5.517 40 0 JKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000022518426 523052557 /nfs/dbraw/zinc/05/25/57/523052557.db2.gz JGSRSTBUORBVCZ-HSZRJFAPSA-N 0 0 472.994 5.554 40 0 JKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000020456539 523053191 /nfs/dbraw/zinc/05/31/91/523053191.db2.gz AQJSSMBCQXOAQQ-JOCHJYFZSA-N 0 0 493.412 5.899 40 0 JKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000020454816 523053537 /nfs/dbraw/zinc/05/35/37/523053537.db2.gz NKCCLIDCPGKPTD-OAQYLSRUSA-N 0 0 479.385 5.590 40 0 JKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000020452073 523055128 /nfs/dbraw/zinc/05/51/28/523055128.db2.gz HXUOKLPVUZOQKF-RUZDIDTESA-N 0 0 474.582 5.745 40 0 JKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000022524715 523058826 /nfs/dbraw/zinc/05/88/26/523058826.db2.gz UVPBAFJCURVYQS-OAQYLSRUSA-N 0 0 458.967 5.245 40 0 JKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020454449 523082539 /nfs/dbraw/zinc/08/25/39/523082539.db2.gz CMFMGAGSJDFMLG-XMMPIXPASA-N 0 0 481.061 7.399 40 0 JKABRN CCn1c(=O)c(Nc2cccc(Cl)c2C)nnc1SCc1ccc(Br)cc1 ZINC000028537225 523104470 /nfs/dbraw/zinc/10/44/70/523104470.db2.gz QTBHBLZGTWBONZ-UHFFFAOYSA-N 0 0 465.804 5.418 40 0 JKABRN COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)c(C)c3-c3ccc(C)cc3)n2)cc1 ZINC000022532543 523158352 /nfs/dbraw/zinc/15/83/52/523158352.db2.gz QPXVMOPLCRHFER-UHFFFAOYSA-N 0 0 451.595 7.264 40 0 JKABRN COc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3-c3ccc(Cl)cc3)n2)cc1 ZINC000022714287 523160433 /nfs/dbraw/zinc/16/04/33/523160433.db2.gz NBQLPXXLDDQLTR-UHFFFAOYSA-N 0 0 478.404 7.645 40 0 JKABRN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016789267 523198800 /nfs/dbraw/zinc/19/88/00/523198800.db2.gz HEOJXFBGCKTROY-UHFFFAOYSA-N 0 0 471.797 5.568 40 0 JKABRN COc1ccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000022535650 523244598 /nfs/dbraw/zinc/24/45/98/523244598.db2.gz GPUMBHVBZONGFP-UHFFFAOYSA-N 0 0 453.567 6.655 40 0 JKABRN COCc1nn2c(nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1-c1ccc(F)cc1 ZINC000039963919 523247676 /nfs/dbraw/zinc/24/76/76/523247676.db2.gz KXCPVQZGEIWYQK-UHFFFAOYSA-N 0 0 483.503 5.430 40 0 JKABRN COc1ccc(-n2c(CNc3ccc(C)cc3)nn(CC(=O)c3ccc(Cl)cc3)c2=S)cc1 ZINC000016769301 523316877 /nfs/dbraw/zinc/31/68/77/523316877.db2.gz IEFRLZMRXOSXFY-UHFFFAOYSA-N 0 0 479.005 5.869 40 0 JKABRN COC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1Cl ZINC000041127458 523364204 /nfs/dbraw/zinc/36/42/04/523364204.db2.gz PSQMUPBJIXDQGX-UHFFFAOYSA-N 0 0 456.723 6.293 40 0 JKABRN COc1ccc(C=Cc2nc3ccccc3nc2OCC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000036092273 523409060 /nfs/dbraw/zinc/40/90/60/523409060.db2.gz BATDESGGSQUOGX-SFQUDFHCSA-N 0 0 450.538 5.949 40 0 JKABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000045890523 523679375 /nfs/dbraw/zinc/67/93/75/523679375.db2.gz BRUIPPMFHSAASE-UHFFFAOYSA-N 0 0 488.223 6.584 40 0 JKABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1cccc(Br)c1 ZINC000045891017 523679682 /nfs/dbraw/zinc/67/96/82/523679682.db2.gz AIEAPYHDOVLUKB-UHFFFAOYSA-N 0 0 491.021 5.679 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1Cl ZINC000022535886 523680893 /nfs/dbraw/zinc/68/08/93/523680893.db2.gz NCFNLSKZLWBOND-UHFFFAOYSA-N 0 0 453.976 5.752 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc43)cs2)cc1Br ZINC000032111839 523682201 /nfs/dbraw/zinc/68/22/01/523682201.db2.gz CJJMBXVSRVNXIU-UHFFFAOYSA-N 0 0 498.427 5.861 40 0 JKABRN CCc1c2oc(-c3ccc(C(C)(C)C)cc3)nc2c(Br)c(N)c1Br ZINC000073642710 523730887 /nfs/dbraw/zinc/73/08/87/523730887.db2.gz OGDKYBOROWCWMJ-UHFFFAOYSA-N 0 0 452.190 6.462 40 0 JKABRN COc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1OC ZINC000041124322 523760721 /nfs/dbraw/zinc/76/07/21/523760721.db2.gz JEIYCSIWNMUQTB-UHFFFAOYSA-N 0 0 454.939 5.227 40 0 JKABRN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccn32)cc1 ZINC000022760761 523780266 /nfs/dbraw/zinc/78/02/66/523780266.db2.gz INLKLWGUVMXJHE-UHFFFAOYSA-N 0 0 454.313 5.320 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)c1ccccc1 ZINC000022536190 523847122 /nfs/dbraw/zinc/84/71/22/523847122.db2.gz IAYPBCWZCXAWGK-JOCHJYFZSA-N 0 0 480.630 5.002 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccccc3C)cc2c1 ZINC000020448258 523847445 /nfs/dbraw/zinc/84/74/45/523847445.db2.gz FDZUFBYPANPUIR-UHFFFAOYSA-N 0 0 480.611 5.604 40 0 JKABRN COc1ccc(C2=NO[C@H]([C@@](C)(O)CC[C@H]3[C@](C)(O)CC[C@@H]4C(C)(C)CCC[C@@]34C)C2)cc1 ZINC000012402426 523881003 /nfs/dbraw/zinc/88/10/03/523881003.db2.gz GCMAYKSXNKXCQZ-KHELSYEXSA-N 0 0 457.655 5.713 40 0 JKABRN COc1ccc(C2=NO[C@H]([C@@](C)(O)CC[C@H]3[C@](C)(O)CC[C@@H]4C(C)(C)CCC[C@]34C)C2)cc1 ZINC000012402427 523881260 /nfs/dbraw/zinc/88/12/60/523881260.db2.gz GCMAYKSXNKXCQZ-VXKWWYLSSA-N 0 0 457.655 5.713 40 0 JKABRN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000044885948 523909501 /nfs/dbraw/zinc/90/95/01/523909501.db2.gz HTBAJJNUVAJFBG-UHFFFAOYSA-N 0 0 498.910 5.349 40 0 JKABRN COc1ccc(CCC(=O)Nc2cnc(C)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000041124299 523928190 /nfs/dbraw/zinc/92/81/90/523928190.db2.gz AJQYFKHJCJLLEY-UHFFFAOYSA-N 0 0 452.967 5.538 40 0 JKABRN CCc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022508563 523958950 /nfs/dbraw/zinc/95/89/50/523958950.db2.gz FPARBIBUFYLUCF-PMERELPUSA-N 0 0 498.648 5.659 40 0 JKABRN CCc1ccc(NC(=O)Cn2nc(COc3ccccc3)n(-c3ccc(CC)cc3)c2=S)cc1 ZINC000016769089 523977482 /nfs/dbraw/zinc/97/74/82/523977482.db2.gz GVWFARXLCVCJRC-UHFFFAOYSA-N 0 0 472.614 5.746 40 0 JKABRN COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)COc1ccc(C)cc1 ZINC000002889749 524023693 /nfs/dbraw/zinc/02/36/93/524023693.db2.gz OOISMWFKRHKCET-UHFFFAOYSA-N 0 0 460.349 5.290 40 0 JKABRN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2ccc(Cl)cc2)[C@H]2CSCN21 ZINC000035374544 524059379 /nfs/dbraw/zinc/05/93/79/524059379.db2.gz RJGKIQRTYIVUHE-ANNHOSHMSA-N 0 0 490.028 5.116 40 0 JKABRN CCc1cccc(C(C)(C)C)c1NC(=S)N/C=C(/c1ccccc1)[S@@](=O)Cc1ccccc1 ZINC000033382978 524062155 /nfs/dbraw/zinc/06/21/55/524062155.db2.gz FAQVSTDZNOROOV-FNTRMAGGSA-N 0 0 476.711 6.780 40 0 JKABRN Cc1ccc(C)c(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000022428066 524118097 /nfs/dbraw/zinc/11/80/97/524118097.db2.gz QTMQHDHHXCOLFJ-SSEXGKCCSA-N 0 0 498.648 5.713 40 0 JKABRN Cc1cccc(-c2nnc(SCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)n2-c2ccc(Cl)cc2)c1 ZINC000036266925 524126646 /nfs/dbraw/zinc/12/66/46/524126646.db2.gz VUTDNRWHMUDTCZ-SPEDKVCISA-N 0 0 469.054 5.929 40 0 JKABRN Cc1cccc(-n2c(-c3ccc(Cl)cc3Cl)nn(CC(=O)Nc3c(C)cccc3C)c2=S)c1 ZINC000016769613 524135888 /nfs/dbraw/zinc/13/58/88/524135888.db2.gz KRMUSSPRPRWJBH-UHFFFAOYSA-N 0 0 497.451 6.941 40 0 JKABRN Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020448482 524158901 /nfs/dbraw/zinc/15/89/01/524158901.db2.gz WCHCSJMPYXMRKX-QGZVFWFLSA-N 0 0 454.979 5.349 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)c1 ZINC000044947943 524160043 /nfs/dbraw/zinc/16/00/43/524160043.db2.gz PXKUSSZQNJAWEH-LJAQVGFWSA-N 0 0 498.648 6.240 40 0 JKABRN Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3n2Cc2ccccc2F)c1 ZINC000035167754 524204756 /nfs/dbraw/zinc/20/47/56/524204756.db2.gz LTHDGDBVXHBYBW-MHZLTWQESA-N 0 0 463.556 6.246 40 0 JKABRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020455925 524214871 /nfs/dbraw/zinc/21/48/71/524214871.db2.gz PCTAWIQCMBELDF-IBGZPJMESA-N 0 0 487.021 5.038 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448617 524242236 /nfs/dbraw/zinc/24/22/36/524242236.db2.gz YQVSZCVTVJEJDU-AWEZNQCLSA-N 0 0 491.396 5.394 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448619 524242681 /nfs/dbraw/zinc/24/26/81/524242681.db2.gz YQVSZCVTVJEJDU-CQSZACIVSA-N 0 0 491.396 5.394 40 0 JKABRN COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)C[C@H]3CCCCO3)nc2C)cs1 ZINC000040556452 524245724 /nfs/dbraw/zinc/24/57/24/524245724.db2.gz XWFICPWXKWHMEY-CQSZACIVSA-N 0 0 479.027 5.878 40 0 JKABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448790 524247565 /nfs/dbraw/zinc/24/75/65/524247565.db2.gz NNUFAAZDEJQTJN-MOPGFXCFSA-N 0 0 483.033 5.231 40 0 JKABRN COc1ccccc1-n1c(-c2ccc(Cl)cc2Cl)nn(CC(=O)Nc2cccc(C)c2)c1=S ZINC000016769609 524298572 /nfs/dbraw/zinc/29/85/72/524298572.db2.gz YTQAXPRUSVMBAX-UHFFFAOYSA-N 0 0 499.423 6.333 40 0 JKABRN Cc1cccc(C)c1NCc1nn(CC(=O)Nc2cccc(Cl)c2C)c(=S)n1-c1ccccc1 ZINC000016769467 524304496 /nfs/dbraw/zinc/30/44/96/524304496.db2.gz CKHGCQDOVBBEPD-UHFFFAOYSA-N 0 0 492.048 6.233 40 0 JKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000044883813 524304598 /nfs/dbraw/zinc/30/45/98/524304598.db2.gz OPHDDCDBCLGCJV-KRWDZBQOSA-N 0 0 458.967 5.164 40 0 JKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000022606189 524329630 /nfs/dbraw/zinc/32/96/30/524329630.db2.gz FPJVCHZAXFLBAN-WOJBJXKFSA-N 0 0 480.605 5.382 40 0 JKABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1C ZINC000022540010 524333639 /nfs/dbraw/zinc/33/36/39/524333639.db2.gz HXVLXONZCQXRNW-ZWKOTPCHSA-N 0 0 483.461 5.197 40 0 JKABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022431988 524362756 /nfs/dbraw/zinc/36/27/56/524362756.db2.gz QOOZZEZWTMNVBN-LJQANCHMSA-N 0 0 487.021 5.038 40 0 JKABRN COc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020493395 524362974 /nfs/dbraw/zinc/36/29/74/524362974.db2.gz JACUPYAHWPKXBD-DEOSSOPVSA-N 0 0 499.032 5.046 40 0 JKABRN Cc1ccc(CN(C)C(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020452619 524364026 /nfs/dbraw/zinc/36/40/26/524364026.db2.gz PFJOHSSINOTGMQ-UHFFFAOYSA-N 0 0 477.413 5.156 40 0 JKABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020482852 524365967 /nfs/dbraw/zinc/36/59/67/524365967.db2.gz OQYMMGWPUKLLSH-UHFFFAOYSA-N 0 0 471.022 5.119 40 0 JKABRN Cc1ccc(CN(C)C(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 ZINC000044948300 524380632 /nfs/dbraw/zinc/38/06/32/524380632.db2.gz PUDHENRLTNTHSI-UHFFFAOYSA-N 0 0 491.440 5.540 40 0 JKABRN Cc1ccc(CN(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022535728 524403196 /nfs/dbraw/zinc/40/31/96/524403196.db2.gz MKERJXTTYWDVLT-XMMPIXPASA-N 0 0 478.658 5.297 40 0 JKABRN Cc1cccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000022427867 524523939 /nfs/dbraw/zinc/52/39/39/524523939.db2.gz RVMZBMCOZVHYGV-VWLOTQADSA-N 0 0 450.604 5.094 40 0 JKABRN Cc1cccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000022427865 524524038 /nfs/dbraw/zinc/52/40/38/524524038.db2.gz 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525601050 /nfs/dbraw/zinc/60/10/50/525601050.db2.gz GCCDEXZUKFLLFC-UHFFFAOYSA-N 0 0 489.062 5.421 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3cccc(OC(C)C)c3)c2)cc1 ZINC000044946921 525602274 /nfs/dbraw/zinc/60/22/74/525602274.db2.gz KTLMMECWTCYLLU-UHFFFAOYSA-N 0 0 472.994 5.166 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@H](C)c3ccc(C)cc3C)c2)cc1 ZINC000022532077 525602489 /nfs/dbraw/zinc/60/24/89/525602489.db2.gz RARGZJNSICQQKO-GOSISDBHSA-N 0 0 456.995 5.557 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc4ccccc43)c2)cc1 ZINC000044899976 525602697 /nfs/dbraw/zinc/60/26/97/525602697.db2.gz ZLIWRHRKKSFDTF-UHFFFAOYSA-N 0 0 450.947 5.855 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(OC(C)C)cc3)c2)cc1 ZINC000044884667 525603046 /nfs/dbraw/zinc/60/30/46/525603046.db2.gz IDBLQCGXMDMXMF-UHFFFAOYSA-N 0 0 458.967 5.489 40 0 JKABRN Cc1ccc(SCCNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000022516950 525659009 /nfs/dbraw/zinc/65/90/09/525659009.db2.gz DGTCLYOTCCBZMC-UHFFFAOYSA-N 0 0 475.035 5.280 40 0 JKABRN Cc1ccc(SCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020452541 525660222 /nfs/dbraw/zinc/66/02/22/525660222.db2.gz KMWQGHRXSCSDLJ-UHFFFAOYSA-N 0 0 475.035 5.280 40 0 JKABRN Cc1cc2nc(-c3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3Cl)oc2c(C)c1 ZINC000022578262 525665502 /nfs/dbraw/zinc/66/55/02/525665502.db2.gz XAZZWTKUJIJUCR-UHFFFAOYSA-N 0 0 466.793 6.713 40 0 JKABRN Cc1cc2nc(-c3cc(I)ccc3Cl)oc2c(Br)c1C ZINC000020156813 525666627 /nfs/dbraw/zinc/66/66/27/525666627.db2.gz GSPHDNVXTFTYMN-UHFFFAOYSA-N 0 0 462.512 6.132 40 0 JKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000026124201 525688554 /nfs/dbraw/zinc/68/85/54/525688554.db2.gz QQIYQSKEEULHQI-WYMLVPIESA-N 0 0 454.917 6.294 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431306 525695726 /nfs/dbraw/zinc/69/57/26/525695726.db2.gz ISISERVCXYPWLO-LJQANCHMSA-N 0 0 490.547 5.395 40 0 JKABRN 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Cc1ccc2c(c1)[C@@]1(c3ccc(Cl)cc3)Oc3ccc(C)cc3[C@@](c3ccc(Cl)cc3)(O2)O1 ZINC000001690905 553982962 /nfs/dbraw/zinc/98/29/62/553982962.db2.gz VLRDVELJUOGRJA-NSOVKSMOSA-N 0 0 475.371 7.514 40 0 JKABRN O=c1c(SCc2ccc(F)cc2)c(SCc2ccc(F)cc2)cnn1-c1ccccc1 ZINC000001693199 553983210 /nfs/dbraw/zinc/98/32/10/553983210.db2.gz ACBLMAQGOOZVGH-UHFFFAOYSA-N 0 0 452.551 6.095 40 0 JKABRN CC(=O)Nc1c(Br)cc2c(c1Br)C(=O)c1cc(Br)ccc1-2 ZINC000001697048 553983341 /nfs/dbraw/zinc/98/33/41/553983341.db2.gz FGSSLRVFBWXBBB-UHFFFAOYSA-N 0 0 473.946 5.144 40 0 JKABRN Clc1ccc(OCc2sc3ccc(Br)cc3c2CN2CCc3ccccc3C2)cc1 ZINC000001702294 553983563 /nfs/dbraw/zinc/98/35/63/553983563.db2.gz BRORNRRBXHQWBL-UHFFFAOYSA-N 0 0 498.873 7.455 40 0 JKABRN OC(c1ccccc1)(c1ccccc1)[C@@H]1C(=C(c2ccccc2)c2ccccc2)[C@H]1c1ccccc1 ZINC000001707170 553983898 /nfs/dbraw/zinc/98/38/98/553983898.db2.gz YGIYAGKALZVPEZ-CWTKIQHKSA-N 0 0 464.608 7.838 40 0 JKABRN OC(c1ccccc1)(c1ccccc1)[C@H]1C(=C(c2ccccc2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000001707169 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COc1ccc(C(=O)CSc2nc(-c3ccc(OC)cc3)nc3sc4c(c32)CCCC4)cc1 ZINC000007060394 554563567 /nfs/dbraw/zinc/56/35/67/554563567.db2.gz XRNOHYHUKOEAED-UHFFFAOYSA-N 0 0 476.623 6.229 40 0 JKABRN COc1ccc(-c2nc3sc4c(c3c(SCC(=O)Nc3ccccc3)n2)CCCC4)cc1 ZINC000007060385 554563637 /nfs/dbraw/zinc/56/36/37/554563637.db2.gz LWERGOJDMZRFHJ-UHFFFAOYSA-N 0 0 461.612 5.977 40 0 JKABRN CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000008214710 554564180 /nfs/dbraw/zinc/56/41/80/554564180.db2.gz OXXNTXVXBWLYQE-PVHICTMWSA-N 0 0 456.711 7.961 40 0 in-man JKABRN CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)NCc1ccc(OC)cc1 ZINC000008295780 554564826 /nfs/dbraw/zinc/56/48/26/554564826.db2.gz YWEHZYOVYFWZKM-OALUTQOASA-N 0 0 477.527 5.301 40 0 biogenic,in-vitro JKABRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3CC(=O)[C@@]2(O)C1 ZINC000008382300 554565870 /nfs/dbraw/zinc/56/58/70/554565870.db2.gz QEDZDAWIPDLZAN-YXEBWYKLSA-N 0 0 460.699 6.333 40 0 biogenic,in-vitro JKABRN COC(=O)c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C(C)(C)C)C5)o2)cc1 ZINC000008442234 554591884 /nfs/dbraw/zinc/59/18/84/554591884.db2.gz ZEVPIYAYTPUAKV-MRXNPFEDSA-N 0 0 462.571 5.849 40 0 JKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000008740045 554641863 /nfs/dbraw/zinc/64/18/63/554641863.db2.gz PBWOIPCULUXTNY-IJDJAVTPSA-N 0 0 456.755 8.596 40 0 biogenic JKABRN CC(C)(C)C(=O)[C@H]1[C@H](C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000008744462 554647822 /nfs/dbraw/zinc/64/78/22/554647822.db2.gz MJIMMXRDPQQIMF-RWJVBYDYSA-N 0 0 482.605 5.337 40 0 JKABRN Cc1ccc(OCCCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 ZINC000008754732 554656338 /nfs/dbraw/zinc/65/63/38/554656338.db2.gz GZTCOXYYDDGBFN-VWLOTQADSA-N 0 0 467.613 6.028 40 0 JKABRN Cc1ccc(OCCCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1C ZINC000008754751 554656397 /nfs/dbraw/zinc/65/63/97/554656397.db2.gz DNOLGSLJVHBKEA-VWLOTQADSA-N 0 0 467.613 6.028 40 0 JKABRN O=C(Nc1ccccc1)[C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008758967 554660955 /nfs/dbraw/zinc/66/09/55/554660955.db2.gz LOCAEGARXDLUHN-LJQANCHMSA-N 0 0 457.961 5.704 40 0 JKABRN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008762471 554662190 /nfs/dbraw/zinc/66/21/90/554662190.db2.gz AKGZGYCPEILHJF-HJRDJTPPSA-N 0 0 473.742 6.847 40 0 JKABRN C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008766651 554667078 /nfs/dbraw/zinc/66/70/78/554667078.db2.gz UQGKCNRMJZFWHR-UYAOXDASSA-N 0 0 464.009 5.466 40 0 JKABRN CCC(C)(C)c1ccc(OCCCCNC(=O)C(c2ccccc2)c2ccccc2)c(C(C)(C)CC)c1 ZINC000008767960 554668453 /nfs/dbraw/zinc/66/84/53/554668453.db2.gz SAVIUCNHUDWCSC-UHFFFAOYSA-N 0 0 499.739 8.169 40 0 JKABRN O=C(CCc1ccccc1)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000008772897 554672531 /nfs/dbraw/zinc/67/25/31/554672531.db2.gz FKRCPAFWQIZGCB-MRXNPFEDSA-N 0 0 465.233 5.072 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000008772700 554672542 /nfs/dbraw/zinc/67/25/42/554672542.db2.gz SSOOSECFKIBWPH-AREMUKBSSA-N 0 0 498.587 5.120 40 0 JKABRN O=C(CCCC(=O)OCC(Cl)=C(Cl)Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000008781097 554677970 /nfs/dbraw/zinc/67/79/70/554677970.db2.gz KLTCFMFFJCRRAL-UHFFFAOYSA-N 0 0 489.182 6.109 40 0 JKABRN Oc1ccc(NCN2c3c(Cl)cc(Cl)cc3Sc3cc(Cl)cc(Cl)c32)cc1 ZINC000008781205 554678212 /nfs/dbraw/zinc/67/82/12/554678212.db2.gz FCQWLCIQOUPUKW-UHFFFAOYSA-N 0 0 458.197 7.678 40 0 JKABRN O=C(C[C@@]1(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21)c1ccc2ccccc2c1 ZINC000008782962 554679827 /nfs/dbraw/zinc/67/98/27/554679827.db2.gz VKDZZHFSHYXXRF-MHZLTWQESA-N 0 0 475.466 5.866 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1Cl ZINC000008810067 554689151 /nfs/dbraw/zinc/68/91/51/554689151.db2.gz YSNAWHWFDFJLPL-UHFFFAOYSA-N 0 0 453.322 5.494 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1F)c1ccc(Cl)cc1 ZINC000008810071 554689191 /nfs/dbraw/zinc/68/91/91/554689191.db2.gz YYVIBVWSXRMJLT-UHFFFAOYSA-N 0 0 473.740 5.839 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1F)c1ccc(Cl)cc1 ZINC000008810072 554689196 /nfs/dbraw/zinc/68/91/96/554689196.db2.gz KKOPDZDERMZFMP-UHFFFAOYSA-N 0 0 473.740 5.839 40 0 JKABRN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810144 554689418 /nfs/dbraw/zinc/68/94/18/554689418.db2.gz DYTMOCFSWUCGII-UHFFFAOYSA-N 0 0 460.958 5.964 40 0 JKABRN CSc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c1 ZINC000008810099 554689515 /nfs/dbraw/zinc/68/95/15/554689515.db2.gz FJLSGJVLSNOKGQ-UHFFFAOYSA-N 0 0 450.944 5.254 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1F)c1cccc(Cl)c1 ZINC000008810240 554689580 /nfs/dbraw/zinc/68/95/80/554689580.db2.gz JWMGFCJBIDKEIS-UHFFFAOYSA-N 0 0 472.847 5.551 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1F)c1cccc(Cl)c1 ZINC000008810221 554689706 /nfs/dbraw/zinc/68/97/06/554689706.db2.gz LDFDEASMNJGQJV-UHFFFAOYSA-N 0 0 483.746 5.295 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1F)c1cccc(Cl)c1 ZINC000008810232 554689711 /nfs/dbraw/zinc/68/97/11/554689711.db2.gz JIXPCASOSMPWKT-UHFFFAOYSA-N 0 0 473.740 5.839 40 0 JKABRN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810303 554689966 /nfs/dbraw/zinc/68/99/66/554689966.db2.gz QRUDVPWQKQGKBW-UHFFFAOYSA-N 0 0 460.958 5.964 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1F)c1ccccc1Cl ZINC000008810380 554689980 /nfs/dbraw/zinc/68/99/80/554689980.db2.gz WLKCTFIAPHWFAF-UHFFFAOYSA-N 0 0 483.746 5.295 40 0 JKABRN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810311 554690049 /nfs/dbraw/zinc/69/00/49/554690049.db2.gz WZQVGOLPLZFFQE-INIZCTEOSA-N 0 0 460.958 5.031 40 0 JKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810384 554690157 /nfs/dbraw/zinc/69/01/57/554690157.db2.gz USNYYPDWXGLAEM-UHFFFAOYSA-N 0 0 453.322 5.494 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1F)c1ccccc1Cl ZINC000008810390 554690164 /nfs/dbraw/zinc/69/01/64/554690164.db2.gz SNHOPUIAXNAVIC-UHFFFAOYSA-N 0 0 473.740 5.839 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1F)c1ccccc1Cl ZINC000008810399 554690192 /nfs/dbraw/zinc/69/01/92/554690192.db2.gz GMJAKOLVKBSYAR-UHFFFAOYSA-N 0 0 472.847 5.551 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1F)c1ccccc1Cl ZINC000008810389 554690202 /nfs/dbraw/zinc/69/02/02/554690202.db2.gz IXQCLHGAPLLNOX-UHFFFAOYSA-N 0 0 473.740 5.839 40 0 JKABRN CSc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1 ZINC000008810417 554690225 /nfs/dbraw/zinc/69/02/25/554690225.db2.gz WHEIEDBPLRCSFU-UHFFFAOYSA-N 0 0 450.944 5.254 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1F)c1ccccc1Cl ZINC000008810408 554690247 /nfs/dbraw/zinc/69/02/47/554690247.db2.gz YVNFMIPGTIUXCT-UHFFFAOYSA-N 0 0 496.947 6.325 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1 ZINC000008810517 554690420 /nfs/dbraw/zinc/69/04/20/554690420.db2.gz KKXNLBISTXZTGA-UHFFFAOYSA-N 0 0 453.322 5.494 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810548 554690756 /nfs/dbraw/zinc/69/07/56/554690756.db2.gz QXLOTISNTDZHKW-UHFFFAOYSA-N 0 0 491.730 5.978 40 0 JKABRN CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810527 554690791 /nfs/dbraw/zinc/69/07/91/554690791.db2.gz RHUKVHXUJFICNN-UHFFFAOYSA-N 0 0 467.349 5.748 40 0 JKABRN CC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1 ZINC000008810570 554691023 /nfs/dbraw/zinc/69/10/23/554691023.db2.gz XDGSZLAIPHLMKC-UHFFFAOYSA-N 0 0 481.332 5.388 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1F)c1ccccc1F ZINC000008810698 554691171 /nfs/dbraw/zinc/69/11/71/554691171.db2.gz KTIIBSWRQCXILM-UHFFFAOYSA-N 0 0 494.519 5.597 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1F)c1ccccc1F ZINC000008810679 554691241 /nfs/dbraw/zinc/69/12/41/554691241.db2.gz BBEVJQMUBYWUKS-UHFFFAOYSA-N 0 0 457.285 5.325 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1F)c1ccccc1F ZINC000008810680 554691264 /nfs/dbraw/zinc/69/12/64/554691264.db2.gz XNDPKJAKCRPKDW-UHFFFAOYSA-N 0 0 457.285 5.325 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1F)c1ccccc1F ZINC000008810683 554691277 /nfs/dbraw/zinc/69/12/77/554691277.db2.gz CDLSJXUTBVRQON-UHFFFAOYSA-N 0 0 491.730 5.978 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1F)c1ccc(F)cc1 ZINC000008810843 554691490 /nfs/dbraw/zinc/69/14/90/554691490.db2.gz LOBZXLAARYMNQF-UHFFFAOYSA-N 0 0 457.285 5.325 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1F)c1ccc(F)cc1 ZINC000008810855 554691555 /nfs/dbraw/zinc/69/15/55/554691555.db2.gz LLMVEPSWIFHIEL-UHFFFAOYSA-N 0 0 456.392 5.037 40 0 JKABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3I)o2)cc1 ZINC000008812515 554693926 /nfs/dbraw/zinc/69/39/26/554693926.db2.gz YIKSHEFSECNUON-UHFFFAOYSA-N 0 0 493.370 5.370 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1Br ZINC000008812531 554693972 /nfs/dbraw/zinc/69/39/72/554693972.db2.gz MUZKOQGAYITSLL-UHFFFAOYSA-N 0 0 460.397 5.836 40 0 JKABRN O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3[nH]2)cc1)c1ccc(F)cc1 ZINC000008813670 554695988 /nfs/dbraw/zinc/69/59/88/554695988.db2.gz COWRTLSUUAUGCQ-UHFFFAOYSA-N 0 0 468.463 6.013 40 0 JKABRN CCOc1ccc(-c2nnc(SCc3cccc(Cl)c3Cl)n2-c2ccccc2)cc1 ZINC000008815613 554697040 /nfs/dbraw/zinc/69/70/40/554697040.db2.gz DXXJNRCETDXMCZ-UHFFFAOYSA-N 0 0 456.398 6.932 40 0 JKABRN COC(=O)C1C(CSc2cc(Cl)ccc2Cl)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815956 554697532 /nfs/dbraw/zinc/69/75/32/554697532.db2.gz APELXDULSQFKMC-IBGZPJMESA-N 0 0 451.375 5.184 40 0 JKABRN Cc1ccc([C@@H](CC(=O)NCC[C@@H](c2ccccc2)[C@@H]2CCOCC2(C)C)c2ccco2)cc1 ZINC000008817218 554699871 /nfs/dbraw/zinc/69/98/71/554699871.db2.gz IDEHHRZVIAGJIY-VJGNERBWSA-N 0 0 459.630 6.463 40 0 JKABRN Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000008818833 554702629 /nfs/dbraw/zinc/70/26/29/554702629.db2.gz HQGNUJOYILFBGE-SPMKTWQFSA-N 0 0 499.394 5.628 40 0 JKABRN COc1ccccc1OCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Cl)c(C)c2)C1 ZINC000008828283 554718545 /nfs/dbraw/zinc/71/85/45/554718545.db2.gz YKDHGEHTMKAWQE-HXUWFJFHSA-N 0 0 490.003 5.996 40 0 JKABRN COc1cc2cc(CN(Cc3cccs3)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1OC ZINC000008829024 554719516 /nfs/dbraw/zinc/71/95/16/554719516.db2.gz WVOHQVDYFOZYTQ-UHFFFAOYSA-N 0 0 465.600 5.006 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccc(C)c(C)c2)cc1 ZINC000008829271 554719670 /nfs/dbraw/zinc/71/96/70/554719670.db2.gz JAQYNVVDJBNMGX-SANMLTNESA-N 0 0 460.574 5.660 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cccs2)c2ccc3c(c2)OCO3)c1 ZINC000008829194 554719675 /nfs/dbraw/zinc/71/96/75/554719675.db2.gz PZFZUIIRPRVKNF-VWLOTQADSA-N 0 0 492.597 5.322 40 0 JKABRN COc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)cc3)nc2c1 ZINC000008830983 554720731 /nfs/dbraw/zinc/72/07/31/554720731.db2.gz GZPWMPJEHPRVIY-GIDUJCDVSA-N 0 0 471.582 6.153 40 0 JKABRN 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555394181 /nfs/dbraw/zinc/39/41/81/555394181.db2.gz OBFSALNQFTZPCM-UHFFFAOYSA-N 0 0 480.439 5.506 40 0 JKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)c1cccc(Cl)c1 ZINC000013388550 555394200 /nfs/dbraw/zinc/39/42/00/555394200.db2.gz DLWCZELANMZJEM-UHFFFAOYSA-N 0 0 456.951 5.618 40 0 JKABRN O=C(CSc1nc(-c2ccc(Br)cc2)nc2ccc(F)cc21)Nc1ccccc1 ZINC000013400473 555395786 /nfs/dbraw/zinc/39/57/86/555395786.db2.gz PAGHDGBJKDEDTO-UHFFFAOYSA-N 0 0 468.351 5.929 40 0 JKABRN CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C[C@]12O ZINC000013407568 555396590 /nfs/dbraw/zinc/39/65/90/555396590.db2.gz PXFRNYUNPMSUHK-BMIFZFHVSA-N 0 0 460.699 6.333 40 0 JKABRN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@@]21C ZINC000013409073 555396896 /nfs/dbraw/zinc/39/68/96/555396896.db2.gz RHWCHIRIOBZLHF-INHLKYCLSA-N 0 0 488.665 5.484 40 0 JKABRN CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000013407586 555396925 /nfs/dbraw/zinc/39/69/25/555396925.db2.gz ZAEXAXAPTAFPCD-BSMCXZHXSA-N 0 0 462.715 6.125 40 0 JKABRN Cc1ccc(O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@H]43)C2)cc1 ZINC000013407878 555396931 /nfs/dbraw/zinc/39/69/31/555396931.db2.gz SBTHHXGXXIXSNQ-LNHYXEBCSA-N 0 0 476.789 9.784 40 0 JKABRN Cn1c(CNc2cc(Cl)ccc2Cl)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000013423948 555397545 /nfs/dbraw/zinc/39/75/45/555397545.db2.gz UZJWGDPAFWBEKQ-UHFFFAOYSA-N 0 0 472.401 5.618 40 0 JKABRN Clc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000013424536 555398612 /nfs/dbraw/zinc/39/86/12/555398612.db2.gz NIVJQHBEZLAEAY-OAQYLSRUSA-N 0 0 490.626 7.221 40 0 JKABRN Clc1ccc(C2=NN(c3ccc(Br)cc3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000013424537 555398718 /nfs/dbraw/zinc/39/87/18/555398718.db2.gz NIVJQHBEZLAEAY-NRFANRHFSA-N 0 0 490.626 7.221 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 ZINC000013425227 555399342 /nfs/dbraw/zinc/39/93/42/555399342.db2.gz XKHRKNGTHFKQBB-UHFFFAOYSA-N 0 0 471.026 5.767 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)CSc1cc(C)nc(SCc2ccc(Cl)cc2)n1 ZINC000013426430 555399685 /nfs/dbraw/zinc/39/96/85/555399685.db2.gz LUMHLSZVAINEAT-UHFFFAOYSA-N 0 0 480.442 6.124 40 0 JKABRN CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)[C@H]1CCc3ccccc3[C@@H]1N2 ZINC000013426385 555399710 /nfs/dbraw/zinc/39/97/10/555399710.db2.gz FASRXHSNBOROJZ-JHVJFLLYSA-N 0 0 458.509 5.690 40 0 JKABRN O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1nnc(-c2ccccc2)s1 ZINC000013426571 555399968 /nfs/dbraw/zinc/39/99/68/555399968.db2.gz TZNQQPRROREHOH-UHFFFAOYSA-N 0 0 477.619 5.095 40 0 JKABRN C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(Oc5ccccc5)cc4)c32)C1 ZINC000013454333 555401325 /nfs/dbraw/zinc/40/13/25/555401325.db2.gz IVWNIMQWHCEOTQ-INIZCTEOSA-N 0 0 461.612 6.339 40 0 JKABRN CCOc1cc(NC(=S)Nc2ccccc2OC)c(OCC)cc1NC(=O)c1ccccc1C ZINC000013477611 555403170 /nfs/dbraw/zinc/40/31/70/555403170.db2.gz GJWWTIGSTCUHQU-UHFFFAOYSA-N 0 0 479.602 5.862 40 0 aggregator JKABRN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494448 555404534 /nfs/dbraw/zinc/40/45/34/555404534.db2.gz JZALZUQVMBFTGZ-HSZRJFAPSA-N 0 0 476.600 5.179 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1Cl)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494436 555404588 /nfs/dbraw/zinc/40/45/88/555404588.db2.gz BEQRBXIARBKFHD-HSZRJFAPSA-N 0 0 493.055 5.693 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494423 555404647 /nfs/dbraw/zinc/40/46/47/555404647.db2.gz NRNXSLFMCFSRMB-QHCPKHFHSA-N 0 0 458.610 5.040 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)C)N(CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494559 555404962 /nfs/dbraw/zinc/40/49/62/555404962.db2.gz XKUJTQSPFIHHND-DEOSSOPVSA-N 0 0 472.637 5.082 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494636 555405357 /nfs/dbraw/zinc/40/53/57/555405357.db2.gz IWVBALSNIPPWSQ-SANMLTNESA-N 0 0 470.621 5.482 40 0 JKABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494643 555405366 /nfs/dbraw/zinc/40/53/66/555405366.db2.gz CAMFPXJTPISHOR-MHZLTWQESA-N 0 0 496.590 5.164 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)C)N(CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494564 555405392 /nfs/dbraw/zinc/40/53/92/555405392.db2.gz PREAFWDVEBUQHR-RUZDIDTESA-N 0 0 486.664 5.391 40 0 JKABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494658 555405436 /nfs/dbraw/zinc/40/54/36/555405436.db2.gz YUKRICCZYUEHCE-MHZLTWQESA-N 0 0 492.627 5.219 40 0 JKABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494946 555406733 /nfs/dbraw/zinc/40/67/33/555406733.db2.gz JECPVYSDZFBVRQ-XMMPIXPASA-N 0 0 474.584 5.231 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494944 555406867 /nfs/dbraw/zinc/40/68/67/555406867.db2.gz FAVVMJYDKFYBCW-QHCPKHFHSA-N 0 0 476.600 5.261 40 0 JKABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495020 555407167 /nfs/dbraw/zinc/40/71/67/555407167.db2.gz JQQXCSPDDMTTJI-RUZDIDTESA-N 0 0 488.611 5.539 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495136 555407184 /nfs/dbraw/zinc/40/71/84/555407184.db2.gz JAVXMZIAHKRAPY-SANMLTNESA-N 0 0 486.620 5.100 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495018 555407253 /nfs/dbraw/zinc/40/72/53/555407253.db2.gz UVFRTAQAPYKATI-DEOSSOPVSA-N 0 0 490.627 5.569 40 0 JKABRN CCC(CC)NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000009592547 555407453 /nfs/dbraw/zinc/40/74/53/555407453.db2.gz UZVRBLFUWYUOOZ-HSZRJFAPSA-N 0 0 465.985 5.104 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495602 555408469 /nfs/dbraw/zinc/40/84/69/555408469.db2.gz MLVBUSJDVDXAQC-XMMPIXPASA-N 0 0 460.582 5.075 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495637 555408501 /nfs/dbraw/zinc/40/85/01/555408501.db2.gz TVONTGAGBYBBMT-QFIPXVFZSA-N 0 0 462.598 5.023 40 0 JKABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495751 555409153 /nfs/dbraw/zinc/40/91/53/555409153.db2.gz VYZTYJAMFRWBRE-VWLOTQADSA-N 0 0 498.656 5.281 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495758 555409194 /nfs/dbraw/zinc/40/91/94/555409194.db2.gz AZJJSWAXMZTCCM-RUZDIDTESA-N 0 0 484.629 5.086 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495757 555409205 /nfs/dbraw/zinc/40/92/05/555409205.db2.gz NVNNCWIUNJTJGC-DEOSSOPVSA-N 0 0 476.650 5.543 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495804 555409666 /nfs/dbraw/zinc/40/96/66/555409666.db2.gz IMUXJKBHOHLQRV-AREMUKBSSA-N 0 0 484.648 5.524 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495836 555409715 /nfs/dbraw/zinc/40/97/15/555409715.db2.gz DVHLVSRPHAIJDX-RUZDIDTESA-N 0 0 486.664 5.473 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495871 555409835 /nfs/dbraw/zinc/40/98/35/555409835.db2.gz HUNNHHXZPQRUQV-VWLOTQADSA-N 0 0 486.664 5.473 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495888 555409861 /nfs/dbraw/zinc/40/98/61/555409861.db2.gz GGAFQLPXWNDASZ-AREMUKBSSA-N 0 0 486.664 5.473 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495934 555410036 /nfs/dbraw/zinc/41/00/36/555410036.db2.gz UYGBZQXFJNIVID-AREMUKBSSA-N 0 0 486.664 5.473 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495924 555410147 /nfs/dbraw/zinc/41/01/47/555410147.db2.gz XKPOCFSNVNDKJF-HHHXNRCGSA-N 0 0 498.675 5.833 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000013496561 555411981 /nfs/dbraw/zinc/41/19/81/555411981.db2.gz WOCUBUDCCVEALA-LJAQVGFWSA-N 0 0 498.648 5.694 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000013496602 555411991 /nfs/dbraw/zinc/41/19/91/555411991.db2.gz GCMCXFHLQIKSCZ-MHZLTWQESA-N 0 0 488.584 5.529 40 0 JKABRN CCCc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1ccc(-c2cccc(OC)c2)cc1 ZINC000013496513 555411994 /nfs/dbraw/zinc/41/19/94/555411994.db2.gz FHDYPDSYBGXBAD-UHFFFAOYSA-N 0 0 483.612 6.058 40 0 JKABRN COc1cccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013496694 555412218 /nfs/dbraw/zinc/41/22/18/555412218.db2.gz JQUSCHDGRJOTTF-LJAQVGFWSA-N 0 0 499.586 5.691 40 0 JKABRN COc1cccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013496693 555412235 /nfs/dbraw/zinc/41/22/35/555412235.db2.gz JQUSCHDGRJOTTF-GDLZYMKVSA-N 0 0 499.586 5.691 40 0 JKABRN COc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013496690 555412268 /nfs/dbraw/zinc/41/22/68/555412268.db2.gz KCOBLMTURCNGPX-GDLZYMKVSA-N 0 0 499.586 5.691 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(Cc1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013496645 555412311 /nfs/dbraw/zinc/41/23/11/555412311.db2.gz WCNVSOFPGUWUDE-HHHXNRCGSA-N 0 0 473.548 5.271 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2cccs2)c1 ZINC000013497212 555412821 /nfs/dbraw/zinc/41/28/21/555412821.db2.gz ANTHXQBEDQMSMP-SANMLTNESA-N 0 0 476.642 5.632 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)c2cccs2)o1 ZINC000013497336 555413153 /nfs/dbraw/zinc/41/31/53/555413153.db2.gz XATZELYPXIFEQP-HSZRJFAPSA-N 0 0 471.022 6.136 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)c2cccs2)cc1 ZINC000013497381 555413404 /nfs/dbraw/zinc/41/34/04/555413404.db2.gz DBHYRQDFSVNYKH-AREMUKBSSA-N 0 0 492.641 5.598 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 ZINC000013497350 555413439 /nfs/dbraw/zinc/41/34/39/555413439.db2.gz LKUWYRHSHRLYEW-DEOSSOPVSA-N 0 0 466.603 5.491 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)c2cccs2)cc1 ZINC000013497379 555413517 /nfs/dbraw/zinc/41/35/17/555413517.db2.gz YJDCIPNKUVHCBM-SANMLTNESA-N 0 0 492.641 5.598 40 0 JKABRN COc1ccccc1CN(C(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000013497432 555413687 /nfs/dbraw/zinc/41/36/87/555413687.db2.gz XMWCFKVYYCNMEE-SANMLTNESA-N 0 0 476.642 5.898 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1cccs1 ZINC000013497452 555413695 /nfs/dbraw/zinc/41/36/95/555413695.db2.gz MINYYUZAXGKDOV-XMMPIXPASA-N 0 0 450.579 5.720 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cccs1 ZINC000013497447 555413724 /nfs/dbraw/zinc/41/37/24/555413724.db2.gz WHIREYNCCQYZCW-VWLOTQADSA-N 0 0 476.598 5.309 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1 ZINC000013497609 555414005 /nfs/dbraw/zinc/41/40/05/555414005.db2.gz ZJPFWFYNJIDKEZ-RUZDIDTESA-N 0 0 482.602 5.043 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1 ZINC000013497613 555414020 /nfs/dbraw/zinc/41/40/20/555414020.db2.gz RWBSVGVKUCTIED-XMMPIXPASA-N 0 0 452.576 5.034 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)Cc2cccs2)o1 ZINC000013497536 555414053 /nfs/dbraw/zinc/41/40/53/555414053.db2.gz HWSRLHQBOZGYLC-DEOSSOPVSA-N 0 0 471.022 5.674 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(C)o1 ZINC000013497540 555414076 /nfs/dbraw/zinc/41/40/76/555414076.db2.gz HINFRSWQSXCEBF-VWLOTQADSA-N 0 0 466.603 5.030 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)Cc2cccs2)o1 ZINC000013497522 555414084 /nfs/dbraw/zinc/41/40/84/555414084.db2.gz FHKFTDRCJRZMPG-VWLOTQADSA-N 0 0 450.604 5.063 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1 ZINC000013497589 555414093 /nfs/dbraw/zinc/41/40/93/555414093.db2.gz YTHGAXWSUCCKIX-VWLOTQADSA-N 0 0 464.587 5.228 40 0 JKABRN CCOC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497662 555414214 /nfs/dbraw/zinc/41/42/14/555414214.db2.gz OUOASWXFIZRPRF-DEOSSOPVSA-N 0 0 496.654 5.362 40 0 JKABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(C)o1 ZINC000013497634 555414231 /nfs/dbraw/zinc/41/42/31/555414231.db2.gz ZEXQYDSMFJZBDX-VWLOTQADSA-N 0 0 466.603 5.424 40 0 JKABRN CCOC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013497665 555414245 /nfs/dbraw/zinc/41/42/45/555414245.db2.gz LQRRKICMNFJLMI-XMMPIXPASA-N 0 0 496.654 5.362 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013497671 555414614 /nfs/dbraw/zinc/41/46/14/555414614.db2.gz PDNQWXRZSKROKA-XMMPIXPASA-N 0 0 466.628 5.388 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000013497719 555414850 /nfs/dbraw/zinc/41/48/50/555414850.db2.gz XBZQVNFRQHRAPU-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2Cl)c1 ZINC000013497734 555414864 /nfs/dbraw/zinc/41/48/64/555414864.db2.gz PQOHDWFVPOBAME-SANMLTNESA-N 0 0 497.060 5.782 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013497711 555414882 /nfs/dbraw/zinc/41/48/82/555414882.db2.gz MUQNHYCKLKXJEQ-AREMUKBSSA-N 0 0 495.044 5.980 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497716 555414885 /nfs/dbraw/zinc/41/48/85/555414885.db2.gz COFZUCGFZMNVMR-SANMLTNESA-N 0 0 495.044 5.980 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2Cl)cc1 ZINC000013497741 555415090 /nfs/dbraw/zinc/41/50/90/555415090.db2.gz UYXFKUDYMLUFJG-AREMUKBSSA-N 0 0 495.044 5.980 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497753 555415124 /nfs/dbraw/zinc/41/51/24/555415124.db2.gz CEAWMRJSKJYGCA-XMMPIXPASA-N 0 0 453.007 5.777 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2Cl)cc1 ZINC000013497742 555415128 /nfs/dbraw/zinc/41/51/28/555415128.db2.gz UYXFKUDYMLUFJG-SANMLTNESA-N 0 0 495.044 5.980 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497740 555415151 /nfs/dbraw/zinc/41/51/51/555415151.db2.gz WXZMAFNCVVPPAR-DEOSSOPVSA-N 0 0 470.997 5.916 40 0 JKABRN CC(C)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000013497794 555415334 /nfs/dbraw/zinc/41/53/34/555415334.db2.gz BIASDOQSJXUUEG-SANMLTNESA-N 0 0 461.631 5.642 40 0 JKABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)c1 ZINC000013497825 555415400 /nfs/dbraw/zinc/41/54/00/555415400.db2.gz IDPDLEFUBUFOJQ-HHHXNRCGSA-N 0 0 492.641 5.137 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)c(OC)c1 ZINC000013497860 555415640 /nfs/dbraw/zinc/41/56/40/555415640.db2.gz XJOPHIGGWCJFKN-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)c(OC)c1 ZINC000013497848 555415697 /nfs/dbraw/zinc/41/56/97/555415697.db2.gz PAPDQUQJHRNNSZ-VWLOTQADSA-N 0 0 498.670 5.198 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1OC ZINC000013497896 555415947 /nfs/dbraw/zinc/41/59/47/555415947.db2.gz OPRIIYGKBKJXJI-VWLOTQADSA-N 0 0 498.670 5.198 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000013497880 555415954 /nfs/dbraw/zinc/41/59/54/555415954.db2.gz XPNAEFBSUVSKFF-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1OC ZINC000013497895 555415955 /nfs/dbraw/zinc/41/59/55/555415955.db2.gz OPRIIYGKBKJXJI-RUZDIDTESA-N 0 0 498.670 5.198 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)cc1OC ZINC000013497915 555416253 /nfs/dbraw/zinc/41/62/53/555416253.db2.gz MROZTZNOYMHWPL-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000013497926 555416258 /nfs/dbraw/zinc/41/62/58/555416258.db2.gz RDKZMTVNAZEMNN-MHZLTWQESA-N 0 0 476.642 5.518 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2)cc1OC ZINC000013497911 555416275 /nfs/dbraw/zinc/41/62/75/555416275.db2.gz FDGWIAGEZWMLAY-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1OC ZINC000013497901 555416280 /nfs/dbraw/zinc/41/62/80/555416280.db2.gz FXMVLFJBZMDYMX-HHHXNRCGSA-N 0 0 492.641 5.137 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000013497922 555416282 /nfs/dbraw/zinc/41/62/82/555416282.db2.gz VVKPOGQEZLMZAR-VWLOTQADSA-N 0 0 466.603 5.111 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)Cc2cccs2)c1 ZINC000013497931 555416286 /nfs/dbraw/zinc/41/62/86/555416286.db2.gz HLCWUDADJGEWHA-HHHXNRCGSA-N 0 0 476.642 5.171 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)Cc2cccs2)c1 ZINC000013497932 555416297 /nfs/dbraw/zinc/41/62/97/555416297.db2.gz HLCWUDADJGEWHA-MHZLTWQESA-N 0 0 476.642 5.171 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000013497921 555416309 /nfs/dbraw/zinc/41/63/09/555416309.db2.gz VVKPOGQEZLMZAR-RUZDIDTESA-N 0 0 466.603 5.111 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C(C)=O)cc2)c1 ZINC000013497953 555416613 /nfs/dbraw/zinc/41/66/13/555416613.db2.gz BWOIJKKURJNSAN-HHHXNRCGSA-N 0 0 490.625 5.335 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(Cl)cc2)c1 ZINC000013497964 555416662 /nfs/dbraw/zinc/41/66/62/555416662.db2.gz ZOBBFRKXTCZFCE-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cc(C)ccc2OC)c1 ZINC000013497982 555416918 /nfs/dbraw/zinc/41/69/18/555416918.db2.gz DOONFHBQCSXAKI-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)c1 ZINC000013497980 555416930 /nfs/dbraw/zinc/41/69/30/555416930.db2.gz MXMBONPIORQNTA-MHZLTWQESA-N 0 0 492.641 5.531 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)c1 ZINC000013497988 555416933 /nfs/dbraw/zinc/41/69/33/555416933.db2.gz FXEHTNVXLGSHQF-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000013497974 555416945 /nfs/dbraw/zinc/41/69/45/555416945.db2.gz JBLZXQLFWUHCGE-SANMLTNESA-N 0 0 478.614 5.141 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)c1 ZINC000013497970 555416973 /nfs/dbraw/zinc/41/69/73/555416973.db2.gz IFWNAUHZEVFWLN-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)Cc2cccs2)cc1 ZINC000013498023 555417190 /nfs/dbraw/zinc/41/71/90/555417190.db2.gz LASMIDRGPUZTKO-HHHXNRCGSA-N 0 0 476.642 5.437 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)Cc2cccs2)cc1 ZINC000013498014 555417216 /nfs/dbraw/zinc/41/72/16/555417216.db2.gz CROSDEFSQIQREX-SANMLTNESA-N 0 0 497.060 5.782 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)cc1 ZINC000013498020 555417217 /nfs/dbraw/zinc/41/72/17/555417217.db2.gz ZSXGUKJKMYMDRH-SANMLTNESA-N 0 0 480.605 5.267 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)Cc2cccs2)cc1 ZINC000013498024 555417219 /nfs/dbraw/zinc/41/72/19/555417219.db2.gz LASMIDRGPUZTKO-MHZLTWQESA-N 0 0 476.642 5.437 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000013498010 555417226 /nfs/dbraw/zinc/41/72/26/555417226.db2.gz JKALQTOHIZRZQX-MHZLTWQESA-N 0 0 476.642 5.171 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccc(OC)c2)C(=O)Cc2cccs2)cc1 ZINC000013498017 555417230 /nfs/dbraw/zinc/41/72/30/555417230.db2.gz MWXIBAYAVNNAAM-HHHXNRCGSA-N 0 0 492.641 5.137 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1 ZINC000013498041 555417488 /nfs/dbraw/zinc/41/74/88/555417488.db2.gz CBKHVKSRAGTEJG-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C(C)=O)c2)cc1 ZINC000013498035 555417511 /nfs/dbraw/zinc/41/75/11/555417511.db2.gz RXYJNPQRNIRUFO-HHHXNRCGSA-N 0 0 490.625 5.335 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)c(F)c2)cc1 ZINC000013498040 555417549 /nfs/dbraw/zinc/41/75/49/555417549.db2.gz SUCDJBBLQMBNFZ-SANMLTNESA-N 0 0 480.605 5.580 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(OC)c2)cc1 ZINC000013498048 555417556 /nfs/dbraw/zinc/41/75/56/555417556.db2.gz OTTWNLOYAOHKAD-SANMLTNESA-N 0 0 478.614 5.141 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498075 555417758 /nfs/dbraw/zinc/41/77/58/555417758.db2.gz VLWNRMPZLFVNRE-AREMUKBSSA-N 0 0 480.605 5.267 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498081 555417802 /nfs/dbraw/zinc/41/78/02/555417802.db2.gz LPZIBJURRKIWEY-RUZDIDTESA-N 0 0 450.579 5.259 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498107 555418137 /nfs/dbraw/zinc/41/81/37/555418137.db2.gz GTNREWACZYPMAN-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498105 555418143 /nfs/dbraw/zinc/41/81/43/555418143.db2.gz ZSUCWJARVHLPKY-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(Cl)cc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498148 555418339 /nfs/dbraw/zinc/41/83/39/555418339.db2.gz RZFVSKBKOYDPRR-DEOSSOPVSA-N 0 0 470.997 5.916 40 0 JKABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498126 555418356 /nfs/dbraw/zinc/41/83/56/555418356.db2.gz PJJFERYHQCBQHT-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1Cl)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498145 555418367 /nfs/dbraw/zinc/41/83/67/555418367.db2.gz WGBKVUHSCOJTGW-XMMPIXPASA-N 0 0 470.997 5.916 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498177 555418676 /nfs/dbraw/zinc/41/86/76/555418676.db2.gz ZQFVCYJAVLOHTP-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498171 555418690 /nfs/dbraw/zinc/41/86/90/555418690.db2.gz SGLJSTTWQVJIBP-XMMPIXPASA-N 0 0 454.542 5.402 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498164 555418692 /nfs/dbraw/zinc/41/86/92/555418692.db2.gz OSJBFEYLZJXGNZ-SANMLTNESA-N 0 0 493.604 5.221 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498195 555418883 /nfs/dbraw/zinc/41/88/83/555418883.db2.gz YVHBDIQQNPSHNT-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN Cc1cccc(C)c1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498199 555418888 /nfs/dbraw/zinc/41/88/88/555418888.db2.gz JGEGNWLEOFJRTK-AREMUKBSSA-N 0 0 464.606 5.880 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1 ZINC000013498189 555418902 /nfs/dbraw/zinc/41/89/02/555418902.db2.gz UAQXDOMWEZROQU-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498201 555418933 /nfs/dbraw/zinc/41/89/33/555418933.db2.gz SYBIFDBWOBCPRT-AREMUKBSSA-N 0 0 464.606 5.880 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013498237 555419189 /nfs/dbraw/zinc/41/91/89/555419189.db2.gz LHHYDETZSWCVGH-HHHXNRCGSA-N 0 0 474.626 5.635 40 0 JKABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498231 555419193 /nfs/dbraw/zinc/41/91/93/555419193.db2.gz YDNZCICMISXBNK-AREMUKBSSA-N 0 0 490.625 5.219 40 0 JKABRN CCOCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(C(C)C)cc1 ZINC000013498268 555419485 /nfs/dbraw/zinc/41/94/85/555419485.db2.gz KNXYGOXGSYMKLZ-SANMLTNESA-N 0 0 470.679 5.469 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1 ZINC000013498280 555419551 /nfs/dbraw/zinc/41/95/51/555419551.db2.gz YTASEVYXCKQHBD-DEOSSOPVSA-N 0 0 452.645 5.489 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498320 555419728 /nfs/dbraw/zinc/41/97/28/555419728.db2.gz WMDZMEJWYXRSCN-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013498305 555419733 /nfs/dbraw/zinc/41/97/33/555419733.db2.gz AYDOTTSWKKPUMC-HHHXNRCGSA-N 0 0 474.626 5.635 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1 ZINC000013498313 555419808 /nfs/dbraw/zinc/41/98/08/555419808.db2.gz YSXCAWLYFOFCKB-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498326 555419810 /nfs/dbraw/zinc/41/98/10/555419810.db2.gz JWFCOQYKMJJXFN-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498325 555419820 /nfs/dbraw/zinc/41/98/20/555419820.db2.gz JWFCOQYKMJJXFN-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498362 555420030 /nfs/dbraw/zinc/42/00/30/555420030.db2.gz MRFPQCRQOKVHGQ-SANMLTNESA-N 0 0 460.599 5.327 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498345 555420069 /nfs/dbraw/zinc/42/00/69/555420069.db2.gz OXQFDFYVKNRQMV-AREMUKBSSA-N 0 0 462.615 5.128 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1Cl)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498357 555420079 /nfs/dbraw/zinc/42/00/79/555420079.db2.gz KDSHZFRTMKSNOR-XMMPIXPASA-N 0 0 453.007 5.777 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498364 555420133 /nfs/dbraw/zinc/42/01/33/555420133.db2.gz LLZVBEAOQOZOKR-SANMLTNESA-N 0 0 460.599 5.327 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498342 555420153 /nfs/dbraw/zinc/42/01/53/555420153.db2.gz GJQIYLJBFLZENA-VWLOTQADSA-N 0 0 450.579 5.259 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498381 555420161 /nfs/dbraw/zinc/42/01/61/555420161.db2.gz DCXXHOJWGYMKHU-AREMUKBSSA-N 0 0 462.615 5.523 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498423 555420275 /nfs/dbraw/zinc/42/02/75/555420275.db2.gz XSBKORGXMRJRGS-VWLOTQADSA-N 0 0 490.627 5.371 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498440 555420713 /nfs/dbraw/zinc/42/07/13/555420713.db2.gz GOMZEEIELXCYQS-NDEPHWFRSA-N 0 0 498.675 5.634 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498437 555420815 /nfs/dbraw/zinc/42/08/15/555420815.db2.gz KVCCGRPVXFMELY-RUZDIDTESA-N 0 0 490.677 5.653 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498446 555420842 /nfs/dbraw/zinc/42/08/42/555420842.db2.gz WTZVMPRVQDFWNX-SANMLTNESA-N 0 0 488.636 5.575 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498498 555421023 /nfs/dbraw/zinc/42/10/23/555421023.db2.gz AZOCJJDMZSZYJA-RUZDIDTESA-N 0 0 490.627 5.507 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498505 555421067 /nfs/dbraw/zinc/42/10/67/555421067.db2.gz AZYLCAOPRWBYBX-SANMLTNESA-N 0 0 470.621 5.338 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccc(F)cc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498506 555421199 /nfs/dbraw/zinc/42/11/99/555421199.db2.gz DTTQYPDXNLVUGI-AREMUKBSSA-N 0 0 488.611 5.477 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498484 555421218 /nfs/dbraw/zinc/42/12/18/555421218.db2.gz RWUQBXPHHLSZQU-XMMPIXPASA-N 0 0 476.600 5.117 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498497 555421269 /nfs/dbraw/zinc/42/12/69/555421269.db2.gz WXAKYLNYSPPWBI-VWLOTQADSA-N 0 0 472.637 5.368 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498583 555422477 /nfs/dbraw/zinc/42/24/77/555422477.db2.gz QNDKTOBWODQTBJ-HHHXNRCGSA-N 0 0 496.615 5.058 40 0 JKABRN Cc1cc2cc(CN(C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498888 555425979 /nfs/dbraw/zinc/42/59/79/555425979.db2.gz AROSIMDYIAPRSY-AZGAKELHSA-N 0 0 492.668 5.015 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498996 555426695 /nfs/dbraw/zinc/42/66/95/555426695.db2.gz MSXQLJCLOAXOPN-RUZDIDTESA-N 0 0 490.627 5.425 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498997 555426846 /nfs/dbraw/zinc/42/68/46/555426846.db2.gz MSXQLJCLOAXOPN-VWLOTQADSA-N 0 0 490.627 5.425 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499027 555427165 /nfs/dbraw/zinc/42/71/65/555427165.db2.gz CUKMLLIUJAHVFM-VWLOTQADSA-N 0 0 490.677 5.708 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499026 555427277 /nfs/dbraw/zinc/42/72/77/555427277.db2.gz CUKMLLIUJAHVFM-RUZDIDTESA-N 0 0 490.677 5.708 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499019 555427335 /nfs/dbraw/zinc/42/73/35/555427335.db2.gz LPUVHGRNHZCZGI-MHZLTWQESA-N 0 0 484.648 5.646 40 0 JKABRN Cc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499070 555427506 /nfs/dbraw/zinc/42/75/06/555427506.db2.gz RPLGFWUBSNRALH-MUUNZHRXSA-N 0 0 498.675 5.954 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499040 555427698 /nfs/dbraw/zinc/42/76/98/555427698.db2.gz GZFLLGZWOXXAIM-AREMUKBSSA-N 0 0 488.636 5.629 40 0 JKABRN Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499038 555427736 /nfs/dbraw/zinc/42/77/36/555427736.db2.gz KAJRDQYTUXNHJB-JYFHCDHNSA-N 0 0 492.668 5.015 40 0 JKABRN Cc1cc(C)c2cc(CN(CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499032 555427748 /nfs/dbraw/zinc/42/77/48/555427748.db2.gz UHXJEEPXCZMYDH-MUUNZHRXSA-N 0 0 498.675 5.689 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499086 555428069 /nfs/dbraw/zinc/42/80/69/555428069.db2.gz WYDJBEZFESBTHS-HHHXNRCGSA-N 0 0 496.615 5.172 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499119 555428476 /nfs/dbraw/zinc/42/84/76/555428476.db2.gz MGIYYMAYEVWTCU-SANMLTNESA-N 0 0 486.664 5.676 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc12 ZINC000013499173 555428787 /nfs/dbraw/zinc/42/87/87/555428787.db2.gz TUBWJDJSIWWKJE-VWLOTQADSA-N 0 0 490.677 5.708 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc12 ZINC000013499183 555428808 /nfs/dbraw/zinc/42/88/08/555428808.db2.gz ISWZPHNIJDJHPY-MHZLTWQESA-N 0 0 496.615 5.172 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499166 555428933 /nfs/dbraw/zinc/42/89/33/555428933.db2.gz WNVSYDFQMAJPJJ-RUZDIDTESA-N 0 0 490.627 5.425 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499276 555429884 /nfs/dbraw/zinc/42/98/84/555429884.db2.gz COMUCACHZMNUJY-VWLOTQADSA-N 0 0 472.637 5.512 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499292 555429899 /nfs/dbraw/zinc/42/98/99/555429899.db2.gz BFXIZWXIIAFEMK-MHZLTWQESA-N 0 0 484.648 5.524 40 0 JKABRN CCC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499312 555430379 /nfs/dbraw/zinc/43/03/79/555430379.db2.gz PURMLDJEBBXDJR-SANMLTNESA-N 0 0 498.656 5.476 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499311 555430406 /nfs/dbraw/zinc/43/04/06/555430406.db2.gz PURMLDJEBBXDJR-AREMUKBSSA-N 0 0 498.656 5.476 40 0 JKABRN CCC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499310 555430412 /nfs/dbraw/zinc/43/04/12/555430412.db2.gz MAMJCXFAKRTQHS-SANMLTNESA-N 0 0 482.588 5.008 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499365 555430885 /nfs/dbraw/zinc/43/08/85/555430885.db2.gz YYLJWRRVQISCJQ-RUZDIDTESA-N 0 0 488.636 5.212 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499427 555431213 /nfs/dbraw/zinc/43/12/13/555431213.db2.gz WAXWTBVPOUZSNB-RUZDIDTESA-N 0 0 472.637 5.430 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499438 555431290 /nfs/dbraw/zinc/43/12/90/555431290.db2.gz RABRPDHSRVXDGO-QHCPKHFHSA-N 0 0 478.666 5.492 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499435 555431385 /nfs/dbraw/zinc/43/13/85/555431385.db2.gz IFZUMOFBZAKNKJ-HSZRJFAPSA-N 0 0 462.598 5.023 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499460 555431679 /nfs/dbraw/zinc/43/16/79/555431679.db2.gz VBPWSCUBQQLCEL-MHZLTWQESA-N 0 0 484.648 5.790 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499454 555431719 /nfs/dbraw/zinc/43/17/19/555431719.db2.gz PUPUPLTVXFKAHS-DEOSSOPVSA-N 0 0 492.693 5.882 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499635 555433832 /nfs/dbraw/zinc/43/38/32/555433832.db2.gz NPMRYXVAWOUVAS-RUZDIDTESA-N 0 0 488.636 5.773 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499632 555433838 /nfs/dbraw/zinc/43/38/38/555433838.db2.gz AFFAUBLRSIOQKS-MHZLTWQESA-N 0 0 498.675 6.180 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499627 555433850 /nfs/dbraw/zinc/43/38/50/555433850.db2.gz OEMZEAJWMYPGNX-HSZRJFAPSA-N 0 0 476.625 5.413 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499634 555433942 /nfs/dbraw/zinc/43/39/42/555433942.db2.gz XORUSSZGAMGYAE-DQEYMECFSA-N 0 0 492.668 5.159 40 0 JKABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4C(F)(F)F)n21)CC[C@H](C)C3 ZINC000013499686 555434311 /nfs/dbraw/zinc/43/43/11/555434311.db2.gz FKPSIACIYLSXJP-NSHDSACASA-N 0 0 491.564 5.522 40 0 JKABRN Cc1ccc(C)c(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)C[C@H](C)CC5)c1 ZINC000013499683 555434396 /nfs/dbraw/zinc/43/43/96/555434396.db2.gz QLUBUKNUYUULJK-CYBMUJFWSA-N 0 0 451.621 5.120 40 0 JKABRN CCc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)C[C@H](C)CC4 ZINC000013499681 555434410 /nfs/dbraw/zinc/43/44/10/555434410.db2.gz XPYDCLNTVSAGNS-CYBMUJFWSA-N 0 0 451.621 5.065 40 0 JKABRN CCc1nc2sc3c(c2c2nnc(SCc4nnc(-c5ccc(C)cc5)o4)n21)CC[C@H](C)C3 ZINC000013499743 555434727 /nfs/dbraw/zinc/43/47/27/555434727.db2.gz PDRGFPYAZOMRSG-AWEZNQCLSA-N 0 0 476.631 5.677 40 0 JKABRN CCc1nc2sc3c(c2c2nnc(SCc4nnc(-c5ccc(C)cc5)o4)n21)CC[C@@H](C)C3 ZINC000013499744 555434750 /nfs/dbraw/zinc/43/47/50/555434750.db2.gz PDRGFPYAZOMRSG-CQSZACIVSA-N 0 0 476.631 5.677 40 0 JKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4c(C)cc(C)cc4C)n21)CCCC3 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ZINC000013502081 555452753 /nfs/dbraw/zinc/45/27/53/555452753.db2.gz SAIHIBURVJRUTL-HSZRJFAPSA-N 0 0 451.954 5.161 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccn1 ZINC000013502101 555452764 /nfs/dbraw/zinc/45/27/64/555452764.db2.gz DHRZHQUAZFKOOV-HHHXNRCGSA-N 0 0 471.601 5.313 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 ZINC000013502151 555452957 /nfs/dbraw/zinc/45/29/57/555452957.db2.gz YZJYGEFBKADWHD-AREMUKBSSA-N 0 0 475.564 5.456 40 0 JKABRN COc1ccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 ZINC000013502127 555453026 /nfs/dbraw/zinc/45/30/26/555453026.db2.gz HASCGSFAGHFQFA-AREMUKBSSA-N 0 0 475.564 5.062 40 0 JKABRN Cc1ccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 ZINC000013502131 555453065 /nfs/dbraw/zinc/45/30/65/555453065.db2.gz LNSNWVUWSJTDAY-AREMUKBSSA-N 0 0 459.565 5.362 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 ZINC000013502149 555453101 /nfs/dbraw/zinc/45/31/01/555453101.db2.gz HRMIWEBUTZXXHP-AREMUKBSSA-N 0 0 475.564 5.456 40 0 JKABRN COc1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)c1 ZINC000013502185 555453303 /nfs/dbraw/zinc/45/33/03/555453303.db2.gz DPYNIYTXSNNFNB-AREMUKBSSA-N 0 0 457.574 5.236 40 0 JKABRN COC(=O)c1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)c1 ZINC000013502177 555453321 /nfs/dbraw/zinc/45/33/21/555453321.db2.gz OENRYQGTBOAQMM-AREMUKBSSA-N 0 0 485.584 5.014 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(C)c2)c(OC)c1 ZINC000013502217 555453512 /nfs/dbraw/zinc/45/35/12/555453512.db2.gz GTPJLCKODKBKPZ-HHHXNRCGSA-N 0 0 487.600 5.244 40 0 JKABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(C)c2)c1 ZINC000013502200 555453544 /nfs/dbraw/zinc/45/35/44/555453544.db2.gz YGMNEISEZWTXPB-MHZLTWQESA-N 0 0 487.600 5.244 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)c2ccccn2)c1 ZINC000013502244 555453767 /nfs/dbraw/zinc/45/37/67/555453767.db2.gz JTTPGRIKLVXEBR-SANMLTNESA-N 0 0 492.019 5.576 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)cc1OC ZINC000013502230 555453853 /nfs/dbraw/zinc/45/38/53/555453853.db2.gz SIIIARSSGLXKGT-SANMLTNESA-N 0 0 491.563 5.075 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccccn2)c1 ZINC000013502250 555453867 /nfs/dbraw/zinc/45/38/67/555453867.db2.gz BAYDICZUFIKPRE-MHZLTWQESA-N 0 0 471.601 5.231 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C)cc2)c1 ZINC000013502271 555454102 /nfs/dbraw/zinc/45/41/02/555454102.db2.gz DVCNWZNGYCRLEY-AREMUKBSSA-N 0 0 457.574 5.236 40 0 JKABRN COc1cccc(CN(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1 ZINC000013502284 555454121 /nfs/dbraw/zinc/45/41/21/555454121.db2.gz ZYTKBUCZEXFKOP-SANMLTNESA-N 0 0 492.019 5.576 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)c1ccccn1 ZINC000013502286 555454176 /nfs/dbraw/zinc/45/41/76/555454176.db2.gz OPAKYSAIBPPXIW-VWLOTQADSA-N 0 0 461.993 5.568 40 0 JKABRN CC(=O)c1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502304 555454186 /nfs/dbraw/zinc/45/41/86/555454186.db2.gz XWXDIKOBGYYDKN-AREMUKBSSA-N 0 0 473.548 5.260 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502310 555454320 /nfs/dbraw/zinc/45/43/20/555454320.db2.gz RHLGWIHQULMSNQ-AREMUKBSSA-N 0 0 475.564 5.456 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccccn2)cc1 ZINC000013502328 555454403 /nfs/dbraw/zinc/45/44/03/555454403.db2.gz CDKACERFRZGVNC-AREMUKBSSA-N 0 0 475.564 5.062 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)cc1 ZINC000013502334 555454407 /nfs/dbraw/zinc/45/44/07/555454407.db2.gz SHSCLXLIEOJQRQ-RUZDIDTESA-N 0 0 461.537 5.066 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013502318 555454434 /nfs/dbraw/zinc/45/44/34/555454434.db2.gz QNNMJGLODZHDFA-AREMUKBSSA-N 0 0 475.564 5.456 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)c1 ZINC000013502350 555454534 /nfs/dbraw/zinc/45/45/34/555454534.db2.gz VUNAHBICFSQKBM-HHHXNRCGSA-N 0 0 487.600 5.326 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C)cc2)cc1 ZINC000013502352 555454565 /nfs/dbraw/zinc/45/45/65/555454565.db2.gz NUPNBBMJLCBQPV-AREMUKBSSA-N 0 0 457.574 5.236 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C(C)=O)cc2)cc1 ZINC000013502341 555454574 /nfs/dbraw/zinc/45/45/74/555454574.db2.gz POCUNPPGILDDBK-MHZLTWQESA-N 0 0 485.584 5.130 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C(C)=O)cc2)cc1 ZINC000013502368 555454613 /nfs/dbraw/zinc/45/46/13/555454613.db2.gz PIBPXVFEGDDYCV-MUUNZHRXSA-N 0 0 499.611 5.520 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000013502346 555454666 /nfs/dbraw/zinc/45/46/66/555454666.db2.gz JQIVKQFKMMDCST-HHHXNRCGSA-N 0 0 487.600 5.326 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C(C)=O)cc2)cc1 ZINC000013502385 555454839 /nfs/dbraw/zinc/45/48/39/555454839.db2.gz ZFNKOKNKHRHZGO-NDEPHWFRSA-N 0 0 483.612 5.684 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(OC)cc2)cc1 ZINC000013502372 555454852 /nfs/dbraw/zinc/45/48/52/555454852.db2.gz XLKPUZNWSRJWHG-HHHXNRCGSA-N 0 0 487.600 5.326 40 0 JKABRN CC(=O)c1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000013502400 555454860 /nfs/dbraw/zinc/45/48/60/555454860.db2.gz VBRBBYUMNLKZLW-HHHXNRCGSA-N 0 0 469.585 5.430 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)cc1 ZINC000013502376 555454907 /nfs/dbraw/zinc/45/49/07/555454907.db2.gz QSCVLYOIIQEIEL-AREMUKBSSA-N 0 0 457.574 5.317 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccccn2)cc1 ZINC000013502388 555454924 /nfs/dbraw/zinc/45/49/24/555454924.db2.gz PDOMIPOTMSSHNA-HHHXNRCGSA-N 0 0 455.602 5.265 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)c3ccc(F)cc3)cc12 ZINC000013502617 555456080 /nfs/dbraw/zinc/45/60/80/555456080.db2.gz TUKSKCPLPIGFNQ-UHFFFAOYSA-N 0 0 464.566 5.096 40 0 JKABRN Cc1nc(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)C[C@@H](C)CC5)sc1C ZINC000013502591 555456085 /nfs/dbraw/zinc/45/60/85/555456085.db2.gz XDNMMMCIVRCKSR-JTQLQIEISA-N 0 0 484.676 5.145 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccccc3Cl)cc12 ZINC000013502624 555456104 /nfs/dbraw/zinc/45/61/04/555456104.db2.gz RKLUMVKDKLRXBU-UHFFFAOYSA-N 0 0 495.048 5.606 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccccc3)[C@H](C)C(=O)NC(C)(C)C)cc12 ZINC000013502644 555456507 /nfs/dbraw/zinc/45/65/07/555456507.db2.gz AMZPHJOCNSULRI-LJQANCHMSA-N 0 0 474.630 5.341 40 0 JKABRN O=C(CSc1nc2ccccc2cc1Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000013502679 555456572 /nfs/dbraw/zinc/45/65/72/555456572.db2.gz BGNHDCWGYRJOJC-UHFFFAOYSA-N 0 0 452.501 6.575 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccc(F)cc3)cc12 ZINC000013502625 555456598 /nfs/dbraw/zinc/45/65/98/555456598.db2.gz WKHILJUEKVHYHP-UHFFFAOYSA-N 0 0 478.593 5.092 40 0 JKABRN O=C(CSc1nc(COc2ccccc2)nc2sc3c(c21)CCCC3)Nc1nccs1 ZINC000013502666 555456618 /nfs/dbraw/zinc/45/66/18/555456618.db2.gz DXISPFNVLVLICP-UHFFFAOYSA-N 0 0 468.629 5.336 40 0 JKABRN CCOc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(OCC)cc1NC(=O)c1ccco1 ZINC000013502707 555456990 /nfs/dbraw/zinc/45/69/90/555456990.db2.gz OWKLHPAVIGXPJL-UHFFFAOYSA-N 0 0 452.551 5.484 40 0 JKABRN Cc1occc1C(=O)N(c1cccc(C)c1)[C@@H](C(=O)NCCc1ccccc1)c1ccc(F)cc1 ZINC000013503529 555460907 /nfs/dbraw/zinc/46/09/07/555460907.db2.gz BGUZAAJRRDEYFF-HHHXNRCGSA-N 0 0 470.544 5.783 40 0 JKABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2c(C)cc(C)cc2cc1CC ZINC000013503589 555461289 /nfs/dbraw/zinc/46/12/89/555461289.db2.gz UDOZAAIMOLRVGZ-UHFFFAOYSA-N 0 0 456.633 6.000 40 0 JKABRN Cc1csc(NC(=O)CCC(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccccc2)n1 ZINC000013505635 555467613 /nfs/dbraw/zinc/46/76/13/555467613.db2.gz MXNJKSZOJSRLFV-VWLOTQADSA-N 0 0 490.629 5.004 40 0 JKABRN COc1ccc(CNC(=O)[C@H](c2ccco2)N(CCc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000013505921 555468798 /nfs/dbraw/zinc/46/87/98/555468798.db2.gz VPNKMHWOQLCMLK-MHZLTWQESA-N 0 0 488.609 5.021 40 0 JKABRN COc1ccc(CNC(=O)[C@H](c2ccccc2F)N(C(=O)Cc2cccs2)c2ccccc2)cc1 ZINC000013505968 555468809 /nfs/dbraw/zinc/46/88/09/555468809.db2.gz PRLFFDPFGDACPZ-MHZLTWQESA-N 0 0 488.584 5.529 40 0 JKABRN CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1ccc(OC)cc1 ZINC000013509676 555481457 /nfs/dbraw/zinc/48/14/57/555481457.db2.gz XLMYVWDJAVAJKF-UHFFFAOYSA-N 0 0 477.996 6.437 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1Cl ZINC000013509696 555481524 /nfs/dbraw/zinc/48/15/24/555481524.db2.gz UJNNBMFFOJQWRY-UHFFFAOYSA-N 0 0 467.400 6.690 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)c3ccccc3Cl)c2C)n1Cc1cccc(Cl)c1 ZINC000013509812 555481804 /nfs/dbraw/zinc/48/18/04/555481804.db2.gz MMYGATZAKZOPBZ-UHFFFAOYSA-N 0 0 467.400 6.690 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)c3ccccc3Cl)c2C)n1Cc1ccc(Cl)cc1 ZINC000013509790 555481831 /nfs/dbraw/zinc/48/18/31/555481831.db2.gz VSXXHIVAAHRFQS-UHFFFAOYSA-N 0 0 467.400 6.690 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)c3ccc(Cl)cc3)c2C)n1Cc1ccc(Cl)cc1 ZINC000013509795 555481833 /nfs/dbraw/zinc/48/18/33/555481833.db2.gz LVQXOFBHRWPPPY-UHFFFAOYSA-N 0 0 467.400 6.690 40 0 JKABRN COCCN(C(=O)CCc1ccccc1OC)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000013510050 555482010 /nfs/dbraw/zinc/48/20/10/555482010.db2.gz IQZJQQDUMVIVKU-UHFFFAOYSA-N 0 0 453.608 5.123 40 0 JKABRN Cc1sc2nc(COc3ccccc3)nc(NCCNC(=O)C34CC5CC(CC(C5)C3)C4)c2c1C ZINC000013510254 555482251 /nfs/dbraw/zinc/48/22/51/555482251.db2.gz BUTKPAVCGZGHPA-UHFFFAOYSA-N 0 0 490.673 5.632 40 0 JKABRN O=C(CSc1nc(C2CCCCC2)nc2sc3c(c21)CCCC3)Nc1ccccc1F ZINC000013510530 555482588 /nfs/dbraw/zinc/48/25/88/555482588.db2.gz LPQZHAZJUAUCSG-UHFFFAOYSA-N 0 0 455.624 6.488 40 0 JKABRN Cc1cc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)nc3sc(C)c(C)c32)no1 ZINC000013510525 555482604 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ZINC000019856350 555515120 /nfs/dbraw/zinc/51/51/20/555515120.db2.gz IYPJEEDMHKPJKG-UHFFFAOYSA-N 0 0 464.921 5.069 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O ZINC000019856352 555515126 /nfs/dbraw/zinc/51/51/26/555515126.db2.gz IZSYCGULKVLOBM-UHFFFAOYSA-N 0 0 479.385 5.499 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019856318 555515177 /nfs/dbraw/zinc/51/51/77/555515177.db2.gz RIGLATYEKIFERW-UHFFFAOYSA-N 0 0 480.630 5.660 40 0 JKABRN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000019856408 555515408 /nfs/dbraw/zinc/51/54/08/555515408.db2.gz GKDGDVIJHWUDNU-UHFFFAOYSA-N 0 0 495.384 5.199 40 0 JKABRN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCC(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000019856454 555515699 /nfs/dbraw/zinc/51/56/99/555515699.db2.gz ZQCJMBNVTJZNBD-UHFFFAOYSA-N 0 0 485.049 5.820 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2cc(Cl)ccc2C)cc1 ZINC000019856511 555515948 /nfs/dbraw/zinc/51/59/48/555515948.db2.gz KAIUCSOGSLELEM-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019856547 555516272 /nfs/dbraw/zinc/51/62/72/555516272.db2.gz FBJRYPIDJDXZFJ-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000019856790 555517423 /nfs/dbraw/zinc/51/74/23/555517423.db2.gz WOYWQYGGULNEJK-UHFFFAOYSA-N 0 0 482.671 5.894 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000019856772 555517426 /nfs/dbraw/zinc/51/74/26/555517426.db2.gz ZWZDNVOKDMSVPG-UHFFFAOYSA-N 0 0 491.440 6.170 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)cc1 ZINC000019856776 555517447 /nfs/dbraw/zinc/51/74/47/555517447.db2.gz QRWQPMWCNPDOMS-UHFFFAOYSA-N 0 0 499.803 5.489 40 0 JKABRN CSc1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000019856850 555517639 /nfs/dbraw/zinc/51/76/39/555517639.db2.gz GTNYFCJJYNTNLK-UHFFFAOYSA-N 0 0 475.035 5.513 40 0 JKABRN CSc1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000019856858 555517649 /nfs/dbraw/zinc/51/76/49/555517649.db2.gz RWDLESWFHKQYOY-UHFFFAOYSA-N 0 0 454.617 5.168 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000019856844 555517676 /nfs/dbraw/zinc/51/76/76/555517676.db2.gz QLWGPVABNCOGHY-UHFFFAOYSA-N 0 0 490.547 5.971 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2cccc(Cl)c2)cc1 ZINC000019856852 555517707 /nfs/dbraw/zinc/51/77/07/555517707.db2.gz GRTOOEISMHVTOX-UHFFFAOYSA-N 0 0 499.803 5.489 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000019856983 555518620 /nfs/dbraw/zinc/51/86/20/555518620.db2.gz YOXASROOUHERAP-UHFFFAOYSA-N 0 0 482.911 5.745 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)NCCC4=CCCCC4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584113 555521321 /nfs/dbraw/zinc/52/13/21/555521321.db2.gz PYLMOWLFBWFSSB-UHFFFAOYSA-N 0 0 482.671 5.796 40 0 JKABRN COc1ccc(NC(=O)c2cc3cc(N(Cc4ccc(C)cc4)S(C)(=O)=O)ccc3s2)cc1 ZINC000013584215 555521608 /nfs/dbraw/zinc/52/16/08/555521608.db2.gz PRCCJMZDPIXZHG-UHFFFAOYSA-N 0 0 480.611 5.437 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)Nc4ccc(C(C)C)cc4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584172 555521637 /nfs/dbraw/zinc/52/16/37/555521637.db2.gz DUJPSCGHLWMXIM-UHFFFAOYSA-N 0 0 492.666 6.552 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)Nc4cc(Cl)ccc4C)cc3c2)S(C)(=O)=O)cc1 ZINC000013584191 555521680 /nfs/dbraw/zinc/52/16/80/555521680.db2.gz DYYYIIKDVUNYKI-UHFFFAOYSA-N 0 0 499.057 6.390 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(=O)NCc3ccccc3)cc2c1 ZINC000013584338 555521864 /nfs/dbraw/zinc/52/18/64/555521864.db2.gz JDPZSDCDWRPNCW-UHFFFAOYSA-N 0 0 485.030 5.451 40 0 JKABRN C[C@H](NC(=O)c1cc2cc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)ccc2s1)c1ccccc1 ZINC000013584344 555521934 /nfs/dbraw/zinc/52/19/34/555521934.db2.gz OHOBTPPUHGFZBL-KRWDZBQOSA-N 0 0 499.057 6.012 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)ccc3s2)c(C)c1 ZINC000013584373 555522116 /nfs/dbraw/zinc/52/21/16/555522116.db2.gz ZRECZKJDGFBUHB-UHFFFAOYSA-N 0 0 499.057 6.390 40 0 JKABRN CCc1ccccc1NC(=O)c1cc2cc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584386 555522176 /nfs/dbraw/zinc/52/21/76/555522176.db2.gz HQRDAXHGHRKKLV-UHFFFAOYSA-N 0 0 499.057 6.336 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(=O)N3CCCCCC3)cc2c1 ZINC000013584448 555522196 /nfs/dbraw/zinc/52/21/96/555522196.db2.gz VBHOHEICSXTORK-UHFFFAOYSA-N 0 0 477.051 5.537 40 0 JKABRN CC[C@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584498 555522406 /nfs/dbraw/zinc/52/24/06/555522406.db2.gz SZGVFMIHRQBGHR-ZDUSSCGKSA-N 0 0 481.437 5.017 40 0 JKABRN CCCCc1ccc(NC(=O)COc2ccc(N(CC)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000013585041 555522944 /nfs/dbraw/zinc/52/29/44/555522944.db2.gz CIIJDEXMSGRLSJ-UHFFFAOYSA-N 0 0 466.603 5.262 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585301 555523413 /nfs/dbraw/zinc/52/34/13/555523413.db2.gz QRHNYQGMLJNSNT-UHFFFAOYSA-N 0 0 474.582 5.381 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585328 555523452 /nfs/dbraw/zinc/52/34/52/555523452.db2.gz BKMRWBCCKOQMIS-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)N3CCCCCC3)cc2)cc1 ZINC000013585536 555523946 /nfs/dbraw/zinc/52/39/46/555523946.db2.gz ALHKLIGUDVLTON-UHFFFAOYSA-N 0 0 492.641 5.172 40 0 JKABRN O=C(Nc1cccc(Br)c1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013590184 555524560 /nfs/dbraw/zinc/52/45/60/555524560.db2.gz XGPVKVSJDNQZHA-XKZIYDEJSA-N 0 0 460.331 5.340 40 0 JKABRN COC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000013596180 555529094 /nfs/dbraw/zinc/52/90/94/555529094.db2.gz WSNUUGWFDMGKIM-DEOSSOPVSA-N 0 0 480.973 5.153 40 0 JKABRN CCOc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2Cl)ccc1O ZINC000013607449 555531574 /nfs/dbraw/zinc/53/15/74/555531574.db2.gz ZKTHAUVEDZILFI-RIEVBORMSA-N 0 0 493.431 5.405 40 0 JKABRN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3Cl)nc2c1 ZINC000019894093 555531910 /nfs/dbraw/zinc/53/19/10/555531910.db2.gz KUKVPOLQURPBQS-UHFFFAOYSA-N 0 0 456.354 6.237 40 0 JKABRN CSc1ccccc1N[C@@H](O)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000013609629 555533177 /nfs/dbraw/zinc/53/31/77/555533177.db2.gz SKPIWQGEXLPDRI-HQRMLTQVSA-N 0 0 452.477 5.507 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(SC)c2)cc1Cl ZINC000013609619 555533210 /nfs/dbraw/zinc/53/32/10/555533210.db2.gz NRGPDXZWOLQMTL-UHFFFAOYSA-N 0 0 450.947 5.812 40 0 JKABRN CN(c1ccc2sc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2c1)S(C)(=O)=O ZINC000013609769 555533412 /nfs/dbraw/zinc/53/34/12/555533412.db2.gz XILCUJOMQLKYIE-UHFFFAOYSA-N 0 0 466.584 5.128 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3cc(C)cc(C)c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609951 555533780 /nfs/dbraw/zinc/53/37/80/555533780.db2.gz YICZGKAMLSSGID-UHFFFAOYSA-N 0 0 478.639 6.294 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3ccc(C)cc3C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609941 555533838 /nfs/dbraw/zinc/53/38/38/555533838.db2.gz LYTVOQSTMWGWOE-UHFFFAOYSA-N 0 0 478.639 6.294 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3cc(C)ccc3OC)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609994 555534017 /nfs/dbraw/zinc/53/40/17/555534017.db2.gz GEYKWMUGMUWAAO-UHFFFAOYSA-N 0 0 494.638 5.994 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000013613528 555535391 /nfs/dbraw/zinc/53/53/91/555535391.db2.gz CQMORLQEOMBXES-FQEVSTJZSA-N 0 0 464.631 5.893 40 0 JKABRN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c(Cl)c1 ZINC000013616289 555536605 /nfs/dbraw/zinc/53/66/05/555536605.db2.gz OMDOPFWCNBJSMI-GOTSBHOMSA-N 0 0 481.770 6.451 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 ZINC000013628096 555539938 /nfs/dbraw/zinc/53/99/38/555539938.db2.gz VKLWMOANTRJLQZ-UHFFFAOYSA-N 0 0 471.384 6.561 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc(Br)cc3)c2)cc1 ZINC000013628157 555540193 /nfs/dbraw/zinc/54/01/93/555540193.db2.gz IEYRHRDYDCQUGH-UHFFFAOYSA-N 0 0 481.390 6.016 40 0 JKABRN Cc1cc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1Br ZINC000013628168 555540285 /nfs/dbraw/zinc/54/02/85/555540285.db2.gz KOKMXYYDAHECER-UHFFFAOYSA-N 0 0 495.417 6.325 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628277 555540288 /nfs/dbraw/zinc/54/02/88/555540288.db2.gz KLNVDEVSFIQPRI-KRWDZBQOSA-N 0 0 450.966 6.296 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000013628775 555540503 /nfs/dbraw/zinc/54/05/03/555540503.db2.gz JGTSOWPKYORLLQ-UHFFFAOYSA-N 0 0 466.006 6.017 40 0 JKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628890 555540526 /nfs/dbraw/zinc/54/05/26/555540526.db2.gz OCPAFYUOYDDIFP-UHFFFAOYSA-N 0 0 473.642 6.487 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)c2)cc1 ZINC000013628905 555540574 /nfs/dbraw/zinc/54/05/74/555540574.db2.gz PZJDGYGUKJGVHD-CXUHLZMHSA-N 0 0 492.044 6.416 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013632063 555541854 /nfs/dbraw/zinc/54/18/54/555541854.db2.gz XIBGVVPWGFOQLL-UHFFFAOYSA-N 0 0 477.413 5.122 40 0 JKABRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000019927925 555542888 /nfs/dbraw/zinc/54/28/88/555542888.db2.gz AEVRFWMLBUQHMV-UHFFFAOYSA-N 0 0 491.720 5.637 40 0 JKABRN Cc1cc(NC(=O)CSc2n[nH]c(-c3ccc(Br)cc3)n2)ccc1Br ZINC000019927895 555542916 /nfs/dbraw/zinc/54/29/16/555542916.db2.gz AYNYXANTSXMDKD-UHFFFAOYSA-N 0 0 482.201 5.036 40 0 JKABRN Cc1ccc(OCc2nnc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)cc1C ZINC000019928063 555543367 /nfs/dbraw/zinc/54/33/67/555543367.db2.gz ZUJXSNROJLZZDL-UHFFFAOYSA-N 0 0 450.564 5.905 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)nnc1-c1ccccc1Cl ZINC000019928297 555543599 /nfs/dbraw/zinc/54/35/99/555543599.db2.gz OWKXAWHABOCJAJ-UHFFFAOYSA-N 0 0 453.999 6.258 40 0 JKABRN Cc1cc(C)cc(OCc2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)c1 ZINC000019928370 555543902 /nfs/dbraw/zinc/54/39/02/555543902.db2.gz POHMVIIHHJYEAD-UHFFFAOYSA-N 0 0 463.346 5.915 40 0 JKABRN O=C1C[C@H](c2ccccc2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000013634249 555543962 /nfs/dbraw/zinc/54/39/62/555543962.db2.gz NUGHAIWLTUPSPG-MRXNPFEDSA-N 0 0 465.376 5.092 40 0 JKABRN COc1ccccc1OCc1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)o1 ZINC000019928542 555544354 /nfs/dbraw/zinc/54/43/54/555544354.db2.gz NDJHOIHLISGDCE-UHFFFAOYSA-N 0 0 465.318 5.306 40 0 JKABRN CC(C)N1c2ccccc2[C@@]2(c3[nH]c4ccccc4c3CCN2C(=O)NC2CCCCC2)C1=O ZINC000013635353 555544676 /nfs/dbraw/zinc/54/46/76/555544676.db2.gz QFOCMVDHSJSCDT-MUUNZHRXSA-N 0 0 456.590 5.067 40 0 JKABRN CCCCN1c2ccccc2[C@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(=O)NC1CCCCC1 ZINC000013635399 555544729 /nfs/dbraw/zinc/54/47/29/555544729.db2.gz KNHGZAGQJFKZGN-GDLZYMKVSA-N 0 0 470.617 5.459 40 0 JKABRN Cc1nn2c(nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1-c1ccc(Cl)cc1 ZINC000013635599 555544973 /nfs/dbraw/zinc/54/49/73/555544973.db2.gz HBEXKUOJGPXUOI-UHFFFAOYSA-N 0 0 469.932 6.106 40 0 JKABRN Cc1nn2c(nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C)c1-c1ccc(Br)cc1 ZINC000013635808 555545298 /nfs/dbraw/zinc/54/52/98/555545298.db2.gz XRNXSQOFHQGNME-UHFFFAOYSA-N 0 0 490.283 5.442 40 0 JKABRN CC(C)(C)c1ccc(-c2nnc(CSc3nnc(COc4ccc(Cl)cc4)o3)o2)cc1 ZINC000019929109 555545369 /nfs/dbraw/zinc/54/53/69/555545369.db2.gz MDWQKPNKAKMTBX-UHFFFAOYSA-N 0 0 456.955 5.942 40 0 JKABRN Clc1ccc(OCc2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)cc1 ZINC000019929116 555545426 /nfs/dbraw/zinc/54/54/26/555545426.db2.gz YOHRJJCCZSGKAJ-UHFFFAOYSA-N 0 0 469.737 5.951 40 0 JKABRN COc1ccc(-c2c(C)nn3c2nnc(C(=O)Nc2ccc(Oc4ccccc4)cc2)c3C)cc1 ZINC000013635836 555545427 /nfs/dbraw/zinc/54/54/27/555545427.db2.gz ASHMRWXZZJNDFV-UHFFFAOYSA-N 0 0 465.513 5.461 40 0 JKABRN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000009846205 555545646 /nfs/dbraw/zinc/54/56/46/555545646.db2.gz PTMRXLSRQQWKED-UHFFFAOYSA-N 0 0 482.150 7.126 40 0 JKABRN COCc1nn2c(ncc3c2C[C@H](c2ccccc2)CC3=O)c1-c1ccc(Br)cc1 ZINC000013638388 555545785 /nfs/dbraw/zinc/54/57/85/555545785.db2.gz DNEIXGDRMMKLMM-KRWDZBQOSA-N 0 0 462.347 5.218 40 0 JKABRN Cc1cc(Cl)ccc1OCc1nnc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)o1 ZINC000019929304 555546072 /nfs/dbraw/zinc/54/60/72/555546072.db2.gz PPAPMGFSLYTYBT-UHFFFAOYSA-N 0 0 470.982 6.250 40 0 JKABRN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccc(NC(C)=O)c1 ZINC000019929467 555546409 /nfs/dbraw/zinc/54/64/09/555546409.db2.gz ZYONIRXPGRRFKC-UHFFFAOYSA-N 0 0 471.586 5.380 40 0 JKABRN CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cc(Cl)ccc1OC ZINC000019929378 555546490 /nfs/dbraw/zinc/54/64/90/555546490.db2.gz UMGFFRGGWBILOU-UHFFFAOYSA-N 0 0 481.803 5.120 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)nnc1-c1cc(Cl)ccc1OC ZINC000019929390 555546555 /nfs/dbraw/zinc/54/65/55/555546555.db2.gz IAIWPRWAQBPGOO-UHFFFAOYSA-N 0 0 484.025 6.267 40 0 JKABRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000019931610 555549208 /nfs/dbraw/zinc/54/92/08/555549208.db2.gz PBAXKQVDQBVDID-UHFFFAOYSA-N 0 0 496.938 5.213 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000019931801 555549456 /nfs/dbraw/zinc/54/94/56/555549456.db2.gz XEPXRIQWUOSIBZ-UHFFFAOYSA-N 0 0 468.541 5.000 40 0 JKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000019932488 555549798 /nfs/dbraw/zinc/54/97/98/555549798.db2.gz ZQVXISPHPJQDSH-SFHVURJKSA-N 0 0 472.994 5.472 40 0 JKABRN COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(OC)c1OC ZINC000019932618 555550056 /nfs/dbraw/zinc/55/00/56/555550056.db2.gz WXSCHDRRDICOMD-GHRIWEEISA-N 0 0 488.584 5.914 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)cc1Cl ZINC000019933425 555550538 /nfs/dbraw/zinc/55/05/38/555550538.db2.gz ZAJFKHPKOIFQCB-UHFFFAOYSA-N 0 0 478.998 5.460 40 0 JKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1C ZINC000013646306 555550781 /nfs/dbraw/zinc/55/07/81/555550781.db2.gz KPQWOJAGPYZADC-UHFFFAOYSA-N 0 0 480.586 5.150 40 0 JKABRN 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PBQATWBSZXMSPS-UHFFFAOYSA-N 0 0 486.634 5.215 40 0 JKABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000013671814 555563598 /nfs/dbraw/zinc/56/35/98/555563598.db2.gz RMKDSJYUWONYTR-UHFFFAOYSA-N 0 0 454.350 5.331 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2cc(C)cc(C)c2)cc1 ZINC000019947596 555563760 /nfs/dbraw/zinc/56/37/60/555563760.db2.gz UTROLYRFOZOIJE-UHFFFAOYSA-N 0 0 476.520 5.465 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013672083 555563830 /nfs/dbraw/zinc/56/38/30/555563830.db2.gz JVGPBHJIBJMIGW-LJQANCHMSA-N 0 0 468.594 5.196 40 0 JKABRN Cc1cc(C)cc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 ZINC000019947418 555563836 /nfs/dbraw/zinc/56/38/36/555563836.db2.gz NRYWZUMCYWMBOG-UHFFFAOYSA-N 0 0 462.493 5.156 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccc(C(C)C)cc2)cc1 ZINC000013672104 555563921 /nfs/dbraw/zinc/56/39/21/555563921.db2.gz MSMWZOUYWZDWSJ-UHFFFAOYSA-N 0 0 478.658 5.371 40 0 JKABRN 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Cc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000013674280 555565681 /nfs/dbraw/zinc/56/56/81/555565681.db2.gz JWWTZHIFZBTHBP-FQEVSTJZSA-N 0 0 499.076 6.019 40 0 JKABRN CN(C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013675048 555566380 /nfs/dbraw/zinc/56/63/80/555566380.db2.gz DPYMKKHKPBRUMD-UHFFFAOYSA-N 0 0 482.911 5.217 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000013674973 555566397 /nfs/dbraw/zinc/56/63/97/555566397.db2.gz RQNFLMIYNCYHHB-LJQANCHMSA-N 0 0 498.620 5.205 40 0 JKABRN Cc1cccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000013675298 555566450 /nfs/dbraw/zinc/56/64/50/555566450.db2.gz YERANVCGGFLYAC-VWLOTQADSA-N 0 0 450.991 5.353 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013677473 555568391 /nfs/dbraw/zinc/56/83/91/555568391.db2.gz RWPUIGLHBAUWQO-HXUWFJFHSA-N 0 0 497.787 5.242 40 0 JKABRN 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555571309 /nfs/dbraw/zinc/57/13/09/555571309.db2.gz SPMBERQBYMHNCX-UHFFFAOYSA-N 0 0 453.567 5.556 40 0 JKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000013679790 555571665 /nfs/dbraw/zinc/57/16/65/555571665.db2.gz YFIVXLRAMKEQPX-UHFFFAOYSA-N 0 0 491.613 5.064 40 0 JKABRN CN(c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1)S(=O)(=O)c1cccs1 ZINC000013680173 555572268 /nfs/dbraw/zinc/57/22/68/555572268.db2.gz YYDBIABXTKQGKD-UHFFFAOYSA-N 0 0 474.913 5.498 40 0 JKABRN CCOC(=O)C(=C(C)Nc1ccccc1)c1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 ZINC000019958651 555572352 /nfs/dbraw/zinc/57/23/52/555572352.db2.gz FLTWXTGEJMNPPP-SDXDJHTJSA-N 0 0 477.007 5.344 40 0 JKABRN O=C(C[C@@H]1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019962074 555573385 /nfs/dbraw/zinc/57/33/85/555573385.db2.gz JASTXFMOHTVHOS-JOCHJYFZSA-N 0 0 450.489 5.122 40 0 JKABRN O=C(C[C@@H]1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019962070 555573451 /nfs/dbraw/zinc/57/34/51/555573451.db2.gz IQGGXIHAHHOARO-JOCHJYFZSA-N 0 0 482.506 5.862 40 0 JKABRN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000013680799 555573518 /nfs/dbraw/zinc/57/35/18/555573518.db2.gz WYFJJKWAJMJFAA-KRWDZBQOSA-N 0 0 469.434 5.297 40 0 JKABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000009973222 555573770 /nfs/dbraw/zinc/57/37/70/555573770.db2.gz YYRSJGUBTOGALF-QTPLJXKRSA-N 0 0 483.779 5.926 40 0 JKABRN CC(C)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013681396 555574338 /nfs/dbraw/zinc/57/43/38/555574338.db2.gz UZJGUJFADDPOOC-QHCPKHFHSA-N 0 0 470.978 5.058 40 0 JKABRN CCOC(=O)c1c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)sc2c1CCCC2 ZINC000013681689 555575062 /nfs/dbraw/zinc/57/50/62/555575062.db2.gz AVHCXQUUJNPSTI-UHFFFAOYSA-N 0 0 498.626 5.165 40 0 JKABRN Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N(Cc3ccco3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019973088 555575296 /nfs/dbraw/zinc/57/52/96/555575296.db2.gz OLSIPHBJWOGHLB-MHZLTWQESA-N 0 0 494.599 5.323 40 0 JKABRN O=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013682785 555576280 /nfs/dbraw/zinc/57/62/80/555576280.db2.gz DLJBYWRXXUQANR-UHFFFAOYSA-N 0 0 495.350 5.193 40 0 JKABRN Cc1ccc(NC(SCc2ccc(Cl)c(Cl)c2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C ZINC000009973970 555576474 /nfs/dbraw/zinc/57/64/74/555576474.db2.gz CSXAHUFUCKJLHE-UHFFFAOYSA-N 0 0 478.401 5.218 40 0 JKABRN Cc1ccc(NC(SCc2ccc3ccccc3c2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C ZINC000009974030 555576739 /nfs/dbraw/zinc/57/67/39/555576739.db2.gz PAPSQIKQCGXJTJ-UHFFFAOYSA-N 0 0 459.571 5.064 40 0 JKABRN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013683538 555577293 /nfs/dbraw/zinc/57/72/93/555577293.db2.gz PAOJOVYKJUBAJV-GOSISDBHSA-N 0 0 477.413 5.327 40 0 JKABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C ZINC000013683433 555577339 /nfs/dbraw/zinc/57/73/39/555577339.db2.gz GZTPDOWYXTUSOT-UHFFFAOYSA-N 0 0 462.493 5.304 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1Br ZINC000013683650 555577539 /nfs/dbraw/zinc/57/75/39/555577539.db2.gz VOUKWHRTEZILLQ-QGZVFWFLSA-N 0 0 467.363 5.266 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc(C)c1Br ZINC000013683713 555577568 /nfs/dbraw/zinc/57/75/68/555577568.db2.gz UDRTXWUPIIHDIX-GOSISDBHSA-N 0 0 481.390 5.574 40 0 JKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013683775 555577597 /nfs/dbraw/zinc/57/75/97/555577597.db2.gz YYGNNLTVDJTSOR-UHFFFAOYSA-N 0 0 473.754 5.050 40 0 JKABRN CCc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020004416 555577677 /nfs/dbraw/zinc/57/76/77/555577677.db2.gz JFCHPQHBOVGHCI-DEOSSOPVSA-N 0 0 464.631 5.011 40 0 JKABRN CC(C)CNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000013683963 555577970 /nfs/dbraw/zinc/57/79/70/555577970.db2.gz SXPBXBKIAWYZPI-UHFFFAOYSA-N 0 0 461.400 5.150 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000020004555 555578022 /nfs/dbraw/zinc/57/80/22/555578022.db2.gz CBLJTTUVYYXGKN-JOCHJYFZSA-N 0 0 491.440 5.447 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000020004526 555578028 /nfs/dbraw/zinc/57/80/28/555578028.db2.gz BEZMNRJHXIMQLU-HSZRJFAPSA-N 0 0 471.022 5.102 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 ZINC000020004529 555578102 /nfs/dbraw/zinc/57/81/02/555578102.db2.gz SCOKGLKIUDSBES-NRFANRHFSA-N 0 0 491.440 5.447 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C)c(C)c1 ZINC000020004516 555578114 /nfs/dbraw/zinc/57/81/14/555578114.db2.gz ZMCPHDVAUMPWIH-HSZRJFAPSA-N 0 0 471.022 5.102 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(Cl)cccc2Cl)c(C)c1 ZINC000020004550 555578121 /nfs/dbraw/zinc/57/81/21/555578121.db2.gz VYDBPBRMARHJMR-OAQYLSRUSA-N 0 0 491.440 5.447 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2C)c(C)c1 ZINC000020004508 555578126 /nfs/dbraw/zinc/57/81/26/555578126.db2.gz ATHSHFXXZAMCQR-QHCPKHFHSA-N 0 0 471.022 5.102 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000020004587 555578279 /nfs/dbraw/zinc/57/82/79/555578279.db2.gz QNEHFILGLMIPBV-QFIPXVFZSA-N 0 0 490.547 5.159 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000020004598 555578315 /nfs/dbraw/zinc/57/83/15/555578315.db2.gz KJNDQJCQYHODDN-QFIPXVFZSA-N 0 0 490.547 5.159 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000020004592 555578340 /nfs/dbraw/zinc/57/83/40/555578340.db2.gz SAYMVHDNEBDZNH-QFIPXVFZSA-N 0 0 490.547 5.159 40 0 JKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 ZINC000013684817 555578604 /nfs/dbraw/zinc/57/86/04/555578604.db2.gz AZMZCLXAWRGECW-HXUWFJFHSA-N 0 0 484.983 6.662 40 0 JKABRN C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000013684640 555578627 /nfs/dbraw/zinc/57/86/27/555578627.db2.gz NEEREUAKYIAEQV-NRFANRHFSA-N 0 0 450.538 6.009 40 0 JKABRN CSc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020004972 555578934 /nfs/dbraw/zinc/57/89/34/555578934.db2.gz WRONYUJHVNLNSN-SQJMNOBHSA-N 0 0 496.698 5.101 40 0 JKABRN O=C(NCc1cccnc1)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686806 555580229 /nfs/dbraw/zinc/58/02/29/555580229.db2.gz DQQYPKFLFXNWRV-UHFFFAOYSA-N 0 0 452.539 5.846 40 0 JKABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3ccccc32)cc1Cl ZINC000020006150 555580737 /nfs/dbraw/zinc/58/07/37/555580737.db2.gz MXKGIJJIFGIJNO-XMMPIXPASA-N 0 0 495.000 5.030 40 0 JKABRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687631 555580773 /nfs/dbraw/zinc/58/07/73/555580773.db2.gz VYAIGMZZTFRZAA-UHFFFAOYSA-N 0 0 480.844 6.889 40 0 JKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007994 555582534 /nfs/dbraw/zinc/58/25/34/555582534.db2.gz AWYDCLQQTTWRPO-SANMLTNESA-N 0 0 490.556 5.146 40 0 JKABRN CSc1ccc([C@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020011502 555587509 /nfs/dbraw/zinc/58/75/09/555587509.db2.gz YISXQANBFQYMFL-NRFANRHFSA-N 0 0 482.671 5.094 40 0 JKABRN Cc1ccc(F)cc1NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020011611 555587591 /nfs/dbraw/zinc/58/75/91/555587591.db2.gz ZTWVIVFEDBHYNQ-UHFFFAOYSA-N 0 0 481.376 5.271 40 0 JKABRN Cc1cccc(CN(CC(=O)N[C@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020011826 555587832 /nfs/dbraw/zinc/58/78/32/555587832.db2.gz NOBIKUSOXLISCR-GOSISDBHSA-N 0 0 491.440 5.370 40 0 JKABRN O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 ZINC000020012524 555588656 /nfs/dbraw/zinc/58/86/56/555588656.db2.gz AKIKSJBFJIMVJI-UHFFFAOYSA-N 0 0 485.339 5.101 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)Cc2ccccc2Cl)cc1 ZINC000020012530 555588671 /nfs/dbraw/zinc/58/86/71/555588671.db2.gz XNVALLDEBHICRQ-GOSISDBHSA-N 0 0 491.440 5.370 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)Cc2cccc(C)c2)cc1 ZINC000020012586 555588872 /nfs/dbraw/zinc/58/88/72/555588872.db2.gz VHYPLOWXGIFLEG-HXUWFJFHSA-N 0 0 471.022 5.025 40 0 JKABRN Cc1ccccc1CN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020012688 555588885 /nfs/dbraw/zinc/58/88/85/555588885.db2.gz XGJBMTDNJQGRBH-VWLOTQADSA-N 0 0 483.033 5.033 40 0 JKABRN CC[C@H](C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711414 555588925 /nfs/dbraw/zinc/58/89/25/555588925.db2.gz JVAXDUXGIHEPIQ-XTOQWRRBSA-N 0 0 466.647 5.338 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 ZINC000020013359 555589300 /nfs/dbraw/zinc/58/93/00/555589300.db2.gz KAQZWDJFYZDEQR-MHZLTWQESA-N 0 0 490.669 5.039 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)Cc2ccc(Cl)cc2)c(C)c1 ZINC000020013593 555589724 /nfs/dbraw/zinc/58/97/24/555589724.db2.gz APPMXUVXOUNYKH-UHFFFAOYSA-N 0 0 492.975 5.373 40 0 JKABRN C[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000010000242 555589843 /nfs/dbraw/zinc/58/98/43/555589843.db2.gz PMODQHHAYZYZTK-JWMKGCOUSA-N 0 0 493.651 5.722 40 0 JKABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712619 555589947 /nfs/dbraw/zinc/58/99/47/555589947.db2.gz LHPNGEDVXZJURX-OAQYLSRUSA-N 0 0 493.412 5.969 40 0 JKABRN CCOc1cc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc(OCC)c1OCC ZINC000010003000 555590648 /nfs/dbraw/zinc/59/06/48/555590648.db2.gz XSYJSUBZHPXSBJ-UHFFFAOYSA-N 0 0 479.356 6.807 40 0 JKABRN CC[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712856 555590618 /nfs/dbraw/zinc/59/06/18/555590618.db2.gz AXXTUMTVEIHALH-MRXNPFEDSA-N 0 0 470.205 5.484 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3O)nc2c1 ZINC000010003604 555590655 /nfs/dbraw/zinc/59/06/55/555590655.db2.gz CRIKZKUHXVDGRG-CQSZACIVSA-N 0 0 489.553 5.569 40 0 JKABRN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1 ZINC000010003914 555590828 /nfs/dbraw/zinc/59/08/28/555590828.db2.gz 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Cc1ccccc1[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000020049370 555619105 /nfs/dbraw/zinc/61/91/05/555619105.db2.gz INERPRKOEFOEDI-AREMUKBSSA-N 0 0 497.060 5.096 40 0 JKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020049608 555619152 /nfs/dbraw/zinc/61/91/52/555619152.db2.gz FYTZGEUVJOZVDL-FQEVSTJZSA-N 0 0 451.566 6.774 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000020049712 555619155 /nfs/dbraw/zinc/61/91/55/555619155.db2.gz CBNBZTDZFVYUCF-XMMPIXPASA-N 0 0 485.049 5.728 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000020049612 555619159 /nfs/dbraw/zinc/61/91/59/555619159.db2.gz MPFLVBDFYLYGBI-UHFFFAOYSA-N 0 0 495.453 5.975 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000020050046 555619292 /nfs/dbraw/zinc/61/92/92/555619292.db2.gz JYTVCHCIAMAXJD-AREMUKBSSA-N 0 0 480.630 5.281 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2cccc(Cl)c2)cc1 ZINC000020049866 555619327 /nfs/dbraw/zinc/61/93/27/555619327.db2.gz JYSOPHVNECEPGW-LJQANCHMSA-N 0 0 487.021 5.038 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)cc2)cc1 ZINC000020050296 555619368 /nfs/dbraw/zinc/61/93/68/555619368.db2.gz VGWSNPZTFXYTHS-MHZLTWQESA-N 0 0 470.594 5.624 40 0 JKABRN Cc1ccc(CN(C)C(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020050378 555619713 /nfs/dbraw/zinc/61/97/13/555619713.db2.gz VJCMEICKSCKJCY-UHFFFAOYSA-N 0 0 498.648 5.971 40 0 JKABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000020050818 555620037 /nfs/dbraw/zinc/62/00/37/555620037.db2.gz VUZWZGHMBCFROI-HNNXBMFYSA-N 0 0 479.385 5.509 40 0 JKABRN Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000010110513 555620568 /nfs/dbraw/zinc/62/05/68/555620568.db2.gz TVNMDNWVMDSCNZ-UHFFFAOYSA-N 0 0 450.604 5.084 40 0 JKABRN Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000010110519 555620586 /nfs/dbraw/zinc/62/05/86/555620586.db2.gz ZSEVFBRLEIIBTE-UHFFFAOYSA-N 0 0 450.604 5.084 40 0 JKABRN CCN(c1ccc(C(=O)NCCCc2cccc(C)c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000010110818 555621195 /nfs/dbraw/zinc/62/11/95/555621195.db2.gz BDKKRINUVLAGRO-UHFFFAOYSA-N 0 0 482.671 5.295 40 0 JKABRN Cc1c(Cl)cccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000010111827 555623148 /nfs/dbraw/zinc/62/31/48/555623148.db2.gz ZKJVEPQTCPYUTE-FQEVSTJZSA-N 0 0 499.076 6.019 40 0 JKABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010111816 555623175 /nfs/dbraw/zinc/62/31/75/555623175.db2.gz XGSUXSJGTQCNAH-OAQYLSRUSA-N 0 0 494.657 5.456 40 0 JKABRN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010111815 555623190 /nfs/dbraw/zinc/62/31/90/555623190.db2.gz XGSUXSJGTQCNAH-NRFANRHFSA-N 0 0 494.657 5.456 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000010111840 555623542 /nfs/dbraw/zinc/62/35/42/555623542.db2.gz VSVIYKOYSIXNLH-OAQYLSRUSA-N 0 0 464.631 5.365 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000010111954 555623839 /nfs/dbraw/zinc/62/38/39/555623839.db2.gz SLAWMHIHOCYATA-HXUWFJFHSA-N 0 0 464.631 5.609 40 0 JKABRN C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111945 555623844 /nfs/dbraw/zinc/62/38/44/555623844.db2.gz BMBYDQCIVXWKTQ-LGGPFLRQSA-N 0 0 486.681 6.292 40 0 JKABRN C[C@@H](NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010111936 555623845 /nfs/dbraw/zinc/62/38/45/555623845.db2.gz OUBMWYDHDSLTIT-HXUWFJFHSA-N 0 0 464.631 5.441 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000010111977 555623848 /nfs/dbraw/zinc/62/38/48/555623848.db2.gz AIEZBWNLAPWAGL-IBGZPJMESA-N 0 0 450.604 5.584 40 0 JKABRN CCc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010111920 555623855 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KRNRUNRNRLWAKC-UHFFFAOYSA-N 0 0 453.325 6.052 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1Cl ZINC000010119266 555630135 /nfs/dbraw/zinc/63/01/35/555630135.db2.gz ITDKVSUEGPWWTG-GOSISDBHSA-N 0 0 460.961 5.589 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)oc2c(Br)c1 ZINC000010119708 555631022 /nfs/dbraw/zinc/63/10/22/555631022.db2.gz XPBDFFIEGXESBE-UHFFFAOYSA-N 0 0 455.739 6.725 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)o4)cc3)oc2c(Br)c1 ZINC000010119789 555631268 /nfs/dbraw/zinc/63/12/68/555631268.db2.gz YPFLHLBYAKBNKJ-UHFFFAOYSA-N 0 0 487.353 7.332 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3)oc2c(Br)c1 ZINC000010119786 555631288 /nfs/dbraw/zinc/63/12/88/555631288.db2.gz BYIMUUWJJRHHDK-VGOFMYFVSA-N 0 0 489.413 7.595 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4cccc(O[C@H](C)CC)c4)cc3)oc2c(Br)c1 ZINC000010119792 555631458 /nfs/dbraw/zinc/63/14/58/555631458.db2.gz KFRUHEJLWRLVKI-MRXNPFEDSA-N 0 0 493.401 7.249 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)oc2c(Br)c1 ZINC000010119810 555631477 /nfs/dbraw/zinc/63/14/77/555631477.db2.gz XIKNAHSDRQOISJ-UHFFFAOYSA-N 0 0 485.765 6.491 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)COc4ccccc4)cc3)oc2c(Br)c1 ZINC000010119796 555631480 /nfs/dbraw/zinc/63/14/80/555631480.db2.gz VICJQABYXJRVIJ-UHFFFAOYSA-N 0 0 451.320 5.837 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4cccc(O[C@@H](C)CC)c4)cc3)oc2c(Br)c1 ZINC000010119791 555631489 /nfs/dbraw/zinc/63/14/89/555631489.db2.gz KFRUHEJLWRLVKI-INIZCTEOSA-N 0 0 493.401 7.249 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)oc2c(Br)c1 ZINC000010119801 555631555 /nfs/dbraw/zinc/63/15/55/555631555.db2.gz RTQYJYGJVRYZAL-UHFFFAOYSA-N 0 0 493.401 6.961 40 0 JKABRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)cc1 ZINC000013842394 555631756 /nfs/dbraw/zinc/63/17/56/555631756.db2.gz MXILMAZHMPVNGS-UHFFFAOYSA-N 0 0 479.631 5.372 40 0 JKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000013842655 555631771 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CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120129 555632351 /nfs/dbraw/zinc/63/23/51/555632351.db2.gz ZSFLJIOJRINJDI-UHFFFAOYSA-N 0 0 465.347 5.977 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc(OC)c1OC ZINC000010120157 555632355 /nfs/dbraw/zinc/63/23/55/555632355.db2.gz FWFPTONBDZHPRB-UHFFFAOYSA-N 0 0 460.530 6.070 40 0 JKABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)c1 ZINC000010120185 555632361 /nfs/dbraw/zinc/63/23/61/555632361.db2.gz LOKZIFXKUFFRDT-UHFFFAOYSA-N 0 0 492.528 5.570 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1Cl ZINC000010120187 555632392 /nfs/dbraw/zinc/63/23/92/555632392.db2.gz DNJYJKNXKACLMB-UHFFFAOYSA-N 0 0 482.920 5.825 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc(OC)c1OC ZINC000010120250 555632619 /nfs/dbraw/zinc/63/26/19/555632619.db2.gz OUKVHBLWIOZHQI-SDNWHVSQSA-N 0 0 496.519 6.433 40 0 JKABRN COc1c(C)cc(Br)cc1C(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000010120349 555632861 /nfs/dbraw/zinc/63/28/61/555632861.db2.gz HPTLNKZHQXAJFP-UHFFFAOYSA-N 0 0 479.374 6.121 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3o2)cc(OC)c1OC ZINC000010120278 555632909 /nfs/dbraw/zinc/63/29/09/555632909.db2.gz MAQKUPTZKMIDOP-UHFFFAOYSA-N 0 0 482.920 5.500 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccccc4I)cc3)oc2cc1C ZINC000010120306 555632912 /nfs/dbraw/zinc/63/29/12/555632912.db2.gz CRIJOIAOWTUDSD-UHFFFAOYSA-N 0 0 482.321 5.646 40 0 JKABRN COc1c(Cl)cc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1Cl ZINC000010120324 555632921 /nfs/dbraw/zinc/63/29/21/555632921.db2.gz WETXEQDXGWYGPU-UHFFFAOYSA-N 0 0 455.341 6.357 40 0 JKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)n2C)c1 ZINC000013844263 555632922 /nfs/dbraw/zinc/63/29/22/555632922.db2.gz CRIQBMJOYITGMW-UHFFFAOYSA-N 0 0 451.379 5.049 40 0 JKABRN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1 ZINC000010120267 555632948 /nfs/dbraw/zinc/63/29/48/555632948.db2.gz CQYWUUBQHBWMPY-UHFFFAOYSA-N 0 0 462.502 5.101 40 0 JKABRN Cc1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)n2C)c1C ZINC000013844258 555632946 /nfs/dbraw/zinc/63/29/46/555632946.db2.gz IUEZYZHHVYJISC-UHFFFAOYSA-N 0 0 451.379 5.049 40 0 JKABRN Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)n2C)c1 ZINC000013844265 555632957 /nfs/dbraw/zinc/63/29/57/555632957.db2.gz DOERVQPBYNXEAV-UHFFFAOYSA-N 0 0 451.379 5.049 40 0 JKABRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000013844241 555632971 /nfs/dbraw/zinc/63/29/71/555632971.db2.gz ZCFZJRRUIOTAPR-UHFFFAOYSA-N 0 0 492.215 5.739 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)n2C)c(C)c1 ZINC000013844261 555632987 /nfs/dbraw/zinc/63/29/87/555632987.db2.gz SAXHECLBXMQATI-UHFFFAOYSA-N 0 0 451.379 5.049 40 0 JKABRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000013844249 555633010 /nfs/dbraw/zinc/63/30/10/555633010.db2.gz KNQJXJZHYBQQLH-UHFFFAOYSA-N 0 0 492.215 5.739 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5Cl)o4)cc3)oc2cc1C ZINC000010120418 555633072 /nfs/dbraw/zinc/63/30/72/555633072.db2.gz JTLHIEIQXNVVHY-UHFFFAOYSA-N 0 0 456.929 6.955 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3)oc2cc1C ZINC000010120376 555633103 /nfs/dbraw/zinc/63/31/03/555633103.db2.gz SOEIWESMWFHTRO-UHFFFAOYSA-N 0 0 481.404 7.563 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4cccc5c(Br)cccc45)cc3)oc2cc1C ZINC000010120389 555633198 /nfs/dbraw/zinc/63/31/98/555633198.db2.gz HSZSHUABJIQZGW-UHFFFAOYSA-N 0 0 485.381 6.957 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3)oc2cc1C ZINC000010120419 555633203 /nfs/dbraw/zinc/63/32/03/555633203.db2.gz AUIAIRIGSPMAHC-UHFFFAOYSA-N 0 0 456.929 6.955 40 0 JKABRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000013844313 555633222 /nfs/dbraw/zinc/63/32/22/555633222.db2.gz OSQJBDUBTJDOSU-UHFFFAOYSA-N 0 0 473.385 5.585 40 0 JKABRN Cc1cc(C)c(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(Br)c1 ZINC000010120460 555633374 /nfs/dbraw/zinc/63/33/74/555633374.db2.gz UIEYLVNHYJVZIQ-UHFFFAOYSA-N 0 0 493.401 6.186 40 0 JKABRN Clc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2cccs2)Cc2ccccc2)cc1 ZINC000020098739 555633396 /nfs/dbraw/zinc/63/33/96/555633396.db2.gz RQBLOCWUHIMPPL-XMMPIXPASA-N 0 0 464.038 6.295 40 0 JKABRN CC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N(Cc1cccs1)Cc1ccccc1 ZINC000020098737 555633464 /nfs/dbraw/zinc/63/34/64/555633464.db2.gz JDMUUJCZFGDJFY-JOCHJYFZSA-N 0 0 452.027 5.935 40 0 JKABRN COc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2C)cc1 ZINC000013845121 555633721 /nfs/dbraw/zinc/63/37/21/555633721.db2.gz OJJAERMFISBPSP-UHFFFAOYSA-N 0 0 487.796 5.094 40 0 JKABRN CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1[C@H](C)Oc1ccccc1 ZINC000013850213 555634220 /nfs/dbraw/zinc/63/42/20/555634220.db2.gz LEGXNSVZXQPNKX-LBPRGKRZSA-N 0 0 485.824 6.129 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850067 555634273 /nfs/dbraw/zinc/63/42/73/555634273.db2.gz SGWNOCVSBAPVHH-CYBMUJFWSA-N 0 0 451.379 5.476 40 0 JKABRN CCCCc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010128764 555634389 /nfs/dbraw/zinc/63/43/89/555634389.db2.gz AHFMVSCNNZDUNM-DEOSSOPVSA-N 0 0 471.022 5.211 40 0 JKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128705 555634406 /nfs/dbraw/zinc/63/44/06/555634406.db2.gz QKUAGHKCDSBJIF-FQEVSTJZSA-N 0 0 483.804 5.175 40 0 JKABRN Cc1ccccc1-n1c2nnc(S[C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)n2c2ccccc2c1=O ZINC000010144804 555636676 /nfs/dbraw/zinc/63/66/76/555636676.db2.gz UNBJOEDKAVNINZ-IBGZPJMESA-N 0 0 497.624 5.585 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000020104515 555636753 /nfs/dbraw/zinc/63/67/53/555636753.db2.gz LRDSTFJPHFGCRB-FQEVSTJZSA-N 0 0 471.022 5.338 40 0 JKABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000010146561 555636987 /nfs/dbraw/zinc/63/69/87/555636987.db2.gz BEEPFKUIERHHNG-SANMLTNESA-N 0 0 486.593 5.316 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2Cl)n1C ZINC000013870599 555637010 /nfs/dbraw/zinc/63/70/10/555637010.db2.gz ZCOXZKMKQSXVQN-ZDUSSCGKSA-N 0 0 451.379 5.301 40 0 JKABRN C[C@@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2cccc3ccccc32)n1C ZINC000013870642 555637014 /nfs/dbraw/zinc/63/70/14/555637014.db2.gz CORJDQJPOLWGKV-OAHLLOKOSA-N 0 0 452.967 5.493 40 0 JKABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000010146554 555637013 /nfs/dbraw/zinc/63/70/13/555637013.db2.gz TZWMTSGOHKZPLR-HHHXNRCGSA-N 0 0 486.593 5.316 40 0 JKABRN C[C@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1C ZINC000013870565 555637047 /nfs/dbraw/zinc/63/70/47/555637047.db2.gz PHQXAFPNVDUGJI-NSHDSACASA-N 0 0 471.797 5.646 40 0 JKABRN C[C@@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1C ZINC000013870568 555637065 /nfs/dbraw/zinc/63/70/65/555637065.db2.gz DUBRTWNXWNZTSL-LLVKDONJSA-N 0 0 471.797 5.646 40 0 JKABRN C[C@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1C ZINC000013870569 555637069 /nfs/dbraw/zinc/63/70/69/555637069.db2.gz DUBRTWNXWNZTSL-NSHDSACASA-N 0 0 471.797 5.646 40 0 JKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2C)cc1 ZINC000013871283 555637321 /nfs/dbraw/zinc/63/73/21/555637321.db2.gz NJDAICKURGNZQH-CYBMUJFWSA-N 0 0 465.406 5.555 40 0 JKABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870893 555637375 /nfs/dbraw/zinc/63/73/75/555637375.db2.gz ZERMKGMWDMZVCL-AWEZNQCLSA-N 0 0 465.406 5.784 40 0 JKABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870892 555637408 /nfs/dbraw/zinc/63/74/08/555637408.db2.gz ZERMKGMWDMZVCL-CQSZACIVSA-N 0 0 465.406 5.784 40 0 JKABRN CCCC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000010153251 555637674 /nfs/dbraw/zinc/63/76/74/555637674.db2.gz GSRPUJVLDWRPKE-DFBJGRDBSA-N 0 0 483.033 6.202 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(CC)cc3)n2CC)cc1 ZINC000013871581 555637643 /nfs/dbraw/zinc/63/76/43/555637643.db2.gz SKCXQALJSDONEJ-KRWDZBQOSA-N 0 0 454.596 5.130 40 0 JKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2CC)cc1 ZINC000013871558 555637672 /nfs/dbraw/zinc/63/76/72/555637672.db2.gz PISFJBLBRPZHGC-INIZCTEOSA-N 0 0 459.015 5.693 40 0 JKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2CC)cc1 ZINC000013871559 555637685 /nfs/dbraw/zinc/63/76/85/555637685.db2.gz PISFJBLBRPZHGC-MRXNPFEDSA-N 0 0 459.015 5.693 40 0 JKABRN C[C@H]1C[C@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000010153315 555637836 /nfs/dbraw/zinc/63/78/36/555637836.db2.gz CKYKYQSZDSIEFH-SBUREZEXSA-N 0 0 454.979 5.286 40 0 JKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2CC)cc1 ZINC000013871601 555637850 /nfs/dbraw/zinc/63/78/50/555637850.db2.gz CBASKSZWBDSUOO-OAHLLOKOSA-N 0 0 475.014 5.393 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000020105045 555638037 /nfs/dbraw/zinc/63/80/37/555638037.db2.gz SNPTXRRWHUZFNC-VWLOTQADSA-N 0 0 480.630 5.179 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000020105057 555638063 /nfs/dbraw/zinc/63/80/63/555638063.db2.gz UMSFURPYSCBHKP-SFHVURJKSA-N 0 0 491.440 5.683 40 0 JKABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000013879576 555638299 /nfs/dbraw/zinc/63/82/99/555638299.db2.gz BTCONGKHHZWQHY-UHFFFAOYSA-N 0 0 465.406 5.531 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccc(C)cc2C)cc1 ZINC000020105518 555639022 /nfs/dbraw/zinc/63/90/22/555639022.db2.gz ZEXPNIQIYQWMBS-SANMLTNESA-N 0 0 478.658 5.711 40 0 JKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000020105627 555639351 /nfs/dbraw/zinc/63/93/51/555639351.db2.gz QVFVCSRONBPBLG-JOCHJYFZSA-N 0 0 493.412 5.899 40 0 JKABRN Cc1ccc(CCCNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020105879 555639564 /nfs/dbraw/zinc/63/95/64/555639564.db2.gz OFJQVNNTBRHPSC-UHFFFAOYSA-N 0 0 456.995 5.120 40 0 JKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000020106238 555639951 /nfs/dbraw/zinc/63/99/51/555639951.db2.gz VVKXCBGTEOCGGC-PIIWDFAUSA-N 0 0 474.626 5.393 40 0 JKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000020106333 555640030 /nfs/dbraw/zinc/64/00/30/555640030.db2.gz CWCDIKRLFQBTIC-VWLOTQADSA-N 0 0 490.581 5.445 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccc(C)c(C)c2)cc1 ZINC000020106319 555640041 /nfs/dbraw/zinc/64/00/41/555640041.db2.gz WEZGTTVWYLNRSC-MHZLTWQESA-N 0 0 478.658 5.711 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 ZINC000020106470 555640319 /nfs/dbraw/zinc/64/03/19/555640319.db2.gz BXNGQTHXGZIYQI-VWLOTQADSA-N 0 0 466.419 6.340 40 0 JKABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1)c1ccccc1 ZINC000020107716 555641920 /nfs/dbraw/zinc/64/19/20/555641920.db2.gz BRWLBQXDJOBADT-QHCPKHFHSA-N 0 0 454.617 5.115 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020107949 555642195 /nfs/dbraw/zinc/64/21/95/555642195.db2.gz WELKEZAOODKSNK-UHFFFAOYSA-N 0 0 466.968 6.386 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1)c1ccc(C)cc1 ZINC000020107973 555642504 /nfs/dbraw/zinc/64/25/04/555642504.db2.gz MJSLUPZVVMVFDG-VWLOTQADSA-N 0 0 482.671 5.488 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1)c1ccc(C)cc1 ZINC000020107972 555642554 /nfs/dbraw/zinc/64/25/54/555642554.db2.gz MJSLUPZVVMVFDG-RUZDIDTESA-N 0 0 482.671 5.488 40 0 JKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020107993 555642580 /nfs/dbraw/zinc/64/25/80/555642580.db2.gz DZTSDFGZLBPSBE-UHFFFAOYSA-N 0 0 478.957 6.185 40 0 JKABRN Cc1ccc(CN(C)C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020108576 555643410 /nfs/dbraw/zinc/64/34/10/555643410.db2.gz DIDKBYZYJQCHGO-UHFFFAOYSA-N 0 0 490.547 5.176 40 0 JKABRN Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3cc(Br)cc(C)c3n2)cc1 ZINC000013896947 555644146 /nfs/dbraw/zinc/64/41/46/555644146.db2.gz LTERGQUUDLGCFA-SFHVURJKSA-N 0 0 459.387 6.772 40 0 JKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000020108922 555644347 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CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 ZINC000014273687 555774252 /nfs/dbraw/zinc/77/42/52/555774252.db2.gz PLYPXYYYONGHQK-DHZHZOJOSA-N 0 0 455.385 7.142 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000014273685 555774271 /nfs/dbraw/zinc/77/42/71/555774271.db2.gz IFFZFZRVTUSUOT-FPYGCLRLSA-N 0 0 463.803 5.999 40 0 JKABRN CCN1CCN(c2ccc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)cc2Cl)CC1 ZINC000014273669 555774297 /nfs/dbraw/zinc/77/42/97/555774297.db2.gz JSHRZAVIDFGYON-QPJJXVBHSA-N 0 0 468.812 5.449 40 0 JKABRN Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1Cl ZINC000014273798 555774555 /nfs/dbraw/zinc/77/45/55/555774555.db2.gz HAUSXBSMIBSMOA-UHFFFAOYSA-N 0 0 478.017 6.385 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1Cl ZINC000014273866 555774808 /nfs/dbraw/zinc/77/48/08/555774808.db2.gz JQNTVBZRYQNOKT-UHFFFAOYSA-N 0 0 478.957 5.557 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1Cl ZINC000014273875 555774814 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FXQPOSJOKKLAIR-UHFFFAOYSA-N 0 0 470.266 5.360 40 0 JKABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000021579705 555852197 /nfs/dbraw/zinc/85/21/97/555852197.db2.gz FPEJKTAQZLYTBC-UHFFFAOYSA-N 0 0 484.383 5.217 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000021580664 555852466 /nfs/dbraw/zinc/85/24/66/555852466.db2.gz RNZVUHJZQCZBFV-UHFFFAOYSA-N 0 0 478.335 7.058 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000021580687 555852539 /nfs/dbraw/zinc/85/25/39/555852539.db2.gz ZAIYKKRVAIBXLJ-UHFFFAOYSA-N 0 0 461.880 6.543 40 0 JKABRN O=C1S/C(=C/c2ccc(O)c(I)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000015008941 555852924 /nfs/dbraw/zinc/85/29/24/555852924.db2.gz SEZVNAWHTKLZLZ-GIDUJCDVSA-N 0 0 489.693 5.026 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000021595613 555853203 /nfs/dbraw/zinc/85/32/03/555853203.db2.gz CLASFFDEOTXECV-FYWRMAATSA-N 0 0 457.511 5.318 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c(OC)c1 ZINC000021595353 555853212 /nfs/dbraw/zinc/85/32/12/555853212.db2.gz UXWUVGQQQJZLCB-UHFFFAOYSA-N 0 0 494.956 5.257 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c(OC)c1 ZINC000021595437 555853271 /nfs/dbraw/zinc/85/32/71/555853271.db2.gz GFWRBKJXGMUECX-UHFFFAOYSA-N 0 0 475.570 5.762 40 0 JKABRN O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc2nsnc2c1 ZINC000021595351 555853282 /nfs/dbraw/zinc/85/32/82/555853282.db2.gz USASCTZSEJWNNM-UHFFFAOYSA-N 0 0 451.305 5.514 40 0 JKABRN O=C(NC(=S)Nc1c2nsnc2ccc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000021595439 555853344 /nfs/dbraw/zinc/85/33/44/555853344.db2.gz QZBNKCLYBGTNBM-UHFFFAOYSA-N 0 0 454.964 5.051 40 0 JKABRN CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(C)c(I)c(C)c2)c1 ZINC000021595708 555853521 /nfs/dbraw/zinc/85/35/21/555853521.db2.gz SORURXWGPDTIRL-CQSZACIVSA-N 0 0 482.387 5.212 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(NC(=O)c4ccco4)ccc3C)o2)cc1Cl ZINC000021595701 555853543 /nfs/dbraw/zinc/85/35/43/555853543.db2.gz ABGZZXWHXHSCNO-ZRDIBKRKSA-N 0 0 460.917 6.714 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000021595684 555853556 /nfs/dbraw/zinc/85/35/56/555853556.db2.gz CFMKXEQTSXDKTF-UHFFFAOYSA-N 0 0 486.753 6.102 40 0 JKABRN CCC(=O)Nc1nc2ccc(NC(=O)c3cc(I)ccc3Cl)cc2s1 ZINC000021595636 555853618 /nfs/dbraw/zinc/85/36/18/555853618.db2.gz RYEJMPBISSOZRE-UHFFFAOYSA-N 0 0 485.734 5.155 40 0 JKABRN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(C)c1I ZINC000021595646 555853621 /nfs/dbraw/zinc/85/36/21/555853621.db2.gz UFZATPSIQKIKRQ-NSHDSACASA-N 0 0 464.130 5.621 40 0 JKABRN COc1cc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)ccc1NC(=O)C(C)C ZINC000021595719 555853628 /nfs/dbraw/zinc/85/36/28/555853628.db2.gz KMVGFTKLHCXLHP-SDNWHVSQSA-N 0 0 463.559 5.076 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc2nsnc2c1 ZINC000021595821 555853873 /nfs/dbraw/zinc/85/38/73/555853873.db2.gz UBQUNEMESKIKGK-UHFFFAOYSA-N 0 0 482.015 5.748 40 0 JKABRN 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/nfs/dbraw/zinc/85/68/47/555856847.db2.gz KAPYHPIPKPGEHX-NRFANRHFSA-N 0 0 483.380 6.346 40 0 JKABRN COc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1 ZINC000015015998 555856894 /nfs/dbraw/zinc/85/68/94/555856894.db2.gz PCNRWBULKHTPSF-QFIPXVFZSA-N 0 0 462.962 5.996 40 0 JKABRN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc(O)c(Cl)c2)Nc2ccccc2-3)cc1 ZINC000015016011 555856899 /nfs/dbraw/zinc/85/68/99/555856899.db2.gz WLEOTTRTGKLUDB-QFIPXVFZSA-N 0 0 462.962 6.001 40 0 JKABRN COc1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)ccc1O ZINC000015016038 555857064 /nfs/dbraw/zinc/85/70/64/555857064.db2.gz HSFOFYMFDPIKIR-QFIPXVFZSA-N 0 0 478.961 5.702 40 0 JKABRN COc1cc(Br)cc(/C=C/c2cc(OC(C)=O)c3ccccc3n2)c1OC(C)=O ZINC000015016841 555858020 /nfs/dbraw/zinc/85/80/20/555858020.db2.gz BYELLAJZKKIGOC-CMDGGOBGSA-N 0 0 456.292 5.027 40 0 JKABRN CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)c2ccccc21 ZINC000021989048 555859911 /nfs/dbraw/zinc/85/99/11/555859911.db2.gz USGKHYXJISAYPE-UQECUQMJSA-N 0 0 467.581 5.885 40 0 in-vitro JKABRN COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(Br)c(C(C)C)cc3-c3[nH]c4ccc(F)cc4c3[C@@H]12 ZINC000015021817 555863608 /nfs/dbraw/zinc/86/36/08/555863608.db2.gz IISBECMZSNLIHV-IEUSDUHPSA-N 0 0 498.436 7.578 40 0 JKABRN COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(Br)c(C(C)C)cc3-c3[nH]c4ccccc4c3[C@@H]12 ZINC000015021830 555863635 /nfs/dbraw/zinc/86/36/35/555863635.db2.gz GEBHRPDLIGCDSK-IEUSDUHPSA-N 0 0 480.446 7.439 40 0 JKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)c1 ZINC000015022040 555863649 /nfs/dbraw/zinc/86/36/49/555863649.db2.gz IAOFMEDDZWXJKT-UHFFFAOYSA-N 0 0 469.397 6.280 40 0 JKABRN Clc1ccc(-c2nnc3sc(-c4ccccc4-c4nc5ccccc5s4)nn32)c(Cl)c1 ZINC000015024088 555864744 /nfs/dbraw/zinc/86/47/44/555864744.db2.gz MHYYIVOFKMLNNE-UHFFFAOYSA-N 0 0 480.405 7.103 40 0 JKABRN CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)N(CCc4ccc(CC)cn4)C3=O)cc2)nc1 ZINC000022059143 555867610 /nfs/dbraw/zinc/86/76/10/555867610.db2.gz UICSFXCWECATJX-SANMLTNESA-N 0 0 489.641 5.072 40 0 in-vitro JKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2cccc(Br)c2)cc1OCC ZINC000022072603 555869996 /nfs/dbraw/zinc/86/99/96/555869996.db2.gz SJHDWJIPNNLZHP-UHFFFAOYSA-N 0 0 484.394 5.548 40 0 JKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccccc2Br)cc1OCC ZINC000022072658 555870008 /nfs/dbraw/zinc/87/00/08/555870008.db2.gz IWMCLFLSOHIMLN-UHFFFAOYSA-N 0 0 484.394 5.548 40 0 JKABRN CCOc1cc(CNCc2ccco2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022076339 555871606 /nfs/dbraw/zinc/87/16/06/555871606.db2.gz FWLLXDCTLWOSNH-UHFFFAOYSA-N 0 0 485.205 6.616 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000015084334 555874205 /nfs/dbraw/zinc/87/42/05/555874205.db2.gz BGBZNKDSDIKUPA-UHFFFAOYSA-N 0 0 481.323 5.052 40 0 JKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N1CCCCCC1 ZINC000015084440 555874458 /nfs/dbraw/zinc/87/44/58/555874458.db2.gz PTUOKUCUMGBYNF-UHFFFAOYSA-N 0 0 490.931 5.184 40 0 JKABRN CCCc1n[nH]c(=S)n1NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022109738 555876475 /nfs/dbraw/zinc/87/64/75/555876475.db2.gz FCBMARNOEMVPBW-UHFFFAOYSA-N 0 0 497.846 5.640 40 0 JKABRN CCCc1n[nH]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000022109820 555876508 /nfs/dbraw/zinc/87/65/08/555876508.db2.gz OGWVOOWZJMQPDA-UHFFFAOYSA-N 0 0 451.365 5.117 40 0 JKABRN CCCCn1nnnc1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022109589 555876515 /nfs/dbraw/zinc/87/65/15/555876515.db2.gz IPAHAIHNNRATPY-UHFFFAOYSA-N 0 0 450.768 5.080 40 0 JKABRN CCCc1n[nH]c(=S)n1NCc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 ZINC000022109837 555876519 /nfs/dbraw/zinc/87/65/19/555876519.db2.gz YBDAKPZXVFDPRM-UHFFFAOYSA-N 0 0 495.418 5.516 40 0 JKABRN CCCCn1nnnc1NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000022109601 555876557 /nfs/dbraw/zinc/87/65/57/555876557.db2.gz SKUMUJGNYBBBOV-UHFFFAOYSA-N 0 0 450.768 5.080 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022109994 555876847 /nfs/dbraw/zinc/87/68/47/555876847.db2.gz PKGWGXZRQIPUDD-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022110000 555876859 /nfs/dbraw/zinc/87/68/59/555876859.db2.gz LMUBTCAJHMHZBI-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN COc1cccc(CNn2c(=S)[nH]nc2-c2ccccc2)c1OCc1ccccc1Cl ZINC000022110021 555876873 /nfs/dbraw/zinc/87/68/73/555876873.db2.gz JYCLGGIEFPSBMV-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN Fc1ccc(COc2ccc(Br)cc2CNn2c(=S)[nH]nc2-c2ccccc2)cc1 ZINC000022110126 555876938 /nfs/dbraw/zinc/87/69/38/555876938.db2.gz UYLDEWYPOCMUOL-UHFFFAOYSA-N 0 0 485.382 5.832 40 0 JKABRN CCCc1n[nH]c(=S)n1NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022109937 555876945 /nfs/dbraw/zinc/87/69/45/555876945.db2.gz VNZGXYMVJGFIGD-UHFFFAOYSA-N 0 0 453.395 5.531 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022110157 555877188 /nfs/dbraw/zinc/87/71/88/555877188.db2.gz RPKKJCTWPXHFGE-UHFFFAOYSA-N 0 0 466.994 5.982 40 0 JKABRN CCc1n[nH]c(=S)n1NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022110364 555877216 /nfs/dbraw/zinc/87/72/16/555877216.db2.gz YCAJPJQMXFBTIX-UHFFFAOYSA-N 0 0 483.819 5.250 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022110212 555877236 /nfs/dbraw/zinc/87/72/36/555877236.db2.gz UDZKWJKPBYLJCP-UHFFFAOYSA-N 0 0 470.957 5.731 40 0 JKABRN Fc1ccccc1COc1ccc2ccccc2c1CNn1c(=S)[nH]nc1-c1ccccc1 ZINC000022110247 555877326 /nfs/dbraw/zinc/87/73/26/555877326.db2.gz GWDKFYXKENDWCE-UHFFFAOYSA-N 0 0 456.546 6.223 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2CC)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022110419 555877569 /nfs/dbraw/zinc/87/75/69/555877569.db2.gz JFOFTMUHLVLOLK-UHFFFAOYSA-N 0 0 497.846 5.640 40 0 JKABRN S=c1[nH]nc(-c2ccncc2)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022110555 555877578 /nfs/dbraw/zinc/87/75/78/555877578.db2.gz YOUTVWKMJRTDFO-UHFFFAOYSA-N 0 0 458.374 5.632 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022110609 555877589 /nfs/dbraw/zinc/87/75/89/555877589.db2.gz TUABUNPRYWFUAZ-UHFFFAOYSA-N 0 0 488.400 5.641 40 0 JKABRN CCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022110501 555877640 /nfs/dbraw/zinc/87/76/40/555877640.db2.gz FXJGYYAOOFXEES-UHFFFAOYSA-N 0 0 473.813 5.795 40 0 JKABRN S=c1[nH]nc(-c2ccncc2)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022110686 555877969 /nfs/dbraw/zinc/87/79/69/555877969.db2.gz FECYDLWCMHMQOA-UHFFFAOYSA-N 0 0 473.989 6.132 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)cc(Cl)c1OCc1ccccc1 ZINC000022110936 555878176 /nfs/dbraw/zinc/87/81/76/555878176.db2.gz OLMGSUNFRSSYIU-UHFFFAOYSA-N 0 0 467.982 5.377 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022111056 555878217 /nfs/dbraw/zinc/87/82/17/555878217.db2.gz KYWJNPMHLWVJMR-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN CCOc1cc(CNn2c(-c3ccncc3)n[nH]c2=S)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022110966 555878238 /nfs/dbraw/zinc/87/82/38/555878238.db2.gz VUPOCNLHDWTOPU-UHFFFAOYSA-N 0 0 485.972 5.517 40 0 JKABRN S=c1[nH]nc(-c2ccncc2)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022111081 555878270 /nfs/dbraw/zinc/87/82/70/555878270.db2.gz MEAOBRYMHFWYKF-UHFFFAOYSA-N 0 0 492.819 6.286 40 0 JKABRN COc1cc(CNn2c(-c3ccncc3)n[nH]c2=S)cc(Cl)c1OCc1ccccc1F ZINC000022111044 555878308 /nfs/dbraw/zinc/87/83/08/555878308.db2.gz BFYMHDRHHFDGBJ-UHFFFAOYSA-N 0 0 471.945 5.126 40 0 JKABRN CCOc1cccc(CNn2c(=S)[nH]nc2-c2ccccc2OC)c1OCc1ccccc1 ZINC000022111467 555878692 /nfs/dbraw/zinc/87/86/92/555878692.db2.gz PMPXECMUXAMLDH-UHFFFAOYSA-N 0 0 462.575 5.338 40 0 JKABRN CCCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000022111847 555878835 /nfs/dbraw/zinc/87/88/35/555878835.db2.gz AWIYDZWAIOQFHF-UHFFFAOYSA-N 0 0 470.788 5.633 40 0 JKABRN CCCn1nnnc1NCc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000022111678 555878872 /nfs/dbraw/zinc/87/88/72/555878872.db2.gz VMQKSALCNXQWEM-UHFFFAOYSA-N 0 0 480.794 5.089 40 0 JKABRN CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Br)c1OCc1ccccc1Cl ZINC000022112355 555879176 /nfs/dbraw/zinc/87/91/76/555879176.db2.gz JTZJRUXLFAFBQD-UHFFFAOYSA-N 0 0 483.819 5.386 40 0 JKABRN O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@@H]21)c1ccc(Br)cc1 ZINC000015134446 555879787 /nfs/dbraw/zinc/87/97/87/555879787.db2.gz PQKUDYPBYPMZIW-IDPBPBMLSA-N 0 0 451.408 6.302 40 0 JKABRN COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)Nc2cccc(Br)c2)c1 ZINC000015188713 555883540 /nfs/dbraw/zinc/88/35/40/555883540.db2.gz MXHBPDOGJCSNQG-QFIPXVFZSA-N 0 0 452.348 5.411 40 0 JKABRN CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@]21/C=C/c1ccc(Cl)cc1Cl ZINC000015222448 555885553 /nfs/dbraw/zinc/88/55/53/555885553.db2.gz ZVXCYRYXXOSURT-RTHBMQBDSA-N 0 0 463.408 6.543 40 0 JKABRN C=C(NC(=O)c1ccc(-c2ccccc2)cc1)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000015225538 555886686 /nfs/dbraw/zinc/88/66/86/555886686.db2.gz GCGJZKNTUGZAKH-UHFFFAOYSA-N 0 0 465.940 7.128 40 0 JKABRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000015225614 555886714 /nfs/dbraw/zinc/88/67/14/555886714.db2.gz YVXOEBAAVPTXKZ-UHFFFAOYSA-N 0 0 456.354 5.423 40 0 JKABRN CSc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000015229284 555888714 /nfs/dbraw/zinc/88/87/14/555888714.db2.gz OLZSZUASJXFCSX-MUUNZHRXSA-N 0 0 450.607 7.083 40 0 JKABRN CSc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000015229285 555888720 /nfs/dbraw/zinc/88/87/20/555888720.db2.gz OLZSZUASJXFCSX-NDEPHWFRSA-N 0 0 450.607 7.083 40 0 JKABRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1)c1cccc2ccccc21 ZINC000015231414 555889729 /nfs/dbraw/zinc/88/97/29/555889729.db2.gz WEJINFVPDRUHLT-UHFFFAOYSA-N 0 0 483.489 8.570 40 0 JKABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)S(C)(=O)=O)cc1 ZINC000022231655 555890561 /nfs/dbraw/zinc/89/05/61/555890561.db2.gz PIRCEMIMHKIWTG-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)S(C)(=O)=O)cc1 ZINC000022231652 555890582 /nfs/dbraw/zinc/89/05/82/555890582.db2.gz ZPXLUZYDOOJXBZ-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN CCCCc1ccc(NC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022231854 555890881 /nfs/dbraw/zinc/89/08/81/555890881.db2.gz GHRWEHMCVNWTBZ-UHFFFAOYSA-N 0 0 480.630 5.321 40 0 JKABRN CCc1cccc(C)c1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232108 555891438 /nfs/dbraw/zinc/89/14/38/555891438.db2.gz BUEWYDAGYYSDJH-UHFFFAOYSA-N 0 0 487.021 5.195 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232147 555891447 /nfs/dbraw/zinc/89/14/47/555891447.db2.gz ZZKAFUAUSYDHRQ-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000022232625 555892132 /nfs/dbraw/zinc/89/21/32/555892132.db2.gz MZUFVPVXPUKSMV-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN CCn1c2ccccc2c2cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccc(C)cc3)ccc21 ZINC000015276653 555892222 /nfs/dbraw/zinc/89/22/22/555892222.db2.gz HXSNMZBLZFYFES-XDJHFCHBSA-N 0 0 455.561 6.992 40 0 JKABRN Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000015277037 555892556 /nfs/dbraw/zinc/89/25/56/555892556.db2.gz STLYZPBMMIYFSG-UHFFFAOYSA-N 0 0 499.423 6.192 40 0 JKABRN FC(F)Oc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCN2CCOCC2)cc1 ZINC000015277266 555892911 /nfs/dbraw/zinc/89/29/11/555892911.db2.gz BIPUCHTTXIKAKZ-ROMGYVFFSA-N 0 0 465.953 5.036 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022233765 555894209 /nfs/dbraw/zinc/89/42/09/555894209.db2.gz IIFMRHNRZHQUBM-UHFFFAOYSA-N 0 0 484.593 5.241 40 0 JKABRN CCn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236832 555894386 /nfs/dbraw/zinc/89/43/86/555894386.db2.gz PNTYPMHYQXPUOI-UHFFFAOYSA-N 0 0 452.432 6.085 40 0 JKABRN CCn1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236974 555894394 /nfs/dbraw/zinc/89/43/94/555894394.db2.gz RIGYPUXHMPEXIU-UHFFFAOYSA-N 0 0 462.777 5.965 40 0 JKABRN CCn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2cc(OC)ccc21 ZINC000022236096 555894405 /nfs/dbraw/zinc/89/44/05/555894405.db2.gz IWJIHMGJVGDUJR-UHFFFAOYSA-N 0 0 458.358 5.320 40 0 JKABRN CCn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(=O)c2cc(OC)ccc21 ZINC000022236000 555894459 /nfs/dbraw/zinc/89/44/59/555894459.db2.gz AAVOVZYSTYDVGX-UHFFFAOYSA-N 0 0 460.917 5.167 40 0 JKABRN COc1ccc(/N=c2\sc(C(=O)Nc3ccccc3Cl)cc(=O)n2-c2ccc(OC)cc2)cc1 ZINC000015307192 555895736 /nfs/dbraw/zinc/89/57/36/555895736.db2.gz DDERLYIFSQXDBC-RFBIWTDZSA-N 0 0 493.972 5.054 40 0 JKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022245561 555896074 /nfs/dbraw/zinc/89/60/74/555896074.db2.gz HAJJXQOWTCFNAK-UHFFFAOYSA-N 0 0 460.525 5.201 40 0 JKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022245976 555896089 /nfs/dbraw/zinc/89/60/89/555896089.db2.gz QLQZEOHRZDLBEY-UHFFFAOYSA-N 0 0 486.616 5.882 40 0 JKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000022246043 555896170 /nfs/dbraw/zinc/89/61/70/555896170.db2.gz FAOBGXRVWBOVGR-UHFFFAOYSA-N 0 0 453.926 7.032 40 0 JKABRN CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)NC1CCCCC1 ZINC000015318940 555897326 /nfs/dbraw/zinc/89/73/26/555897326.db2.gz LBTBSRAMPLSCLN-MZBJOSPHSA-N 0 0 451.950 5.071 40 0 JKABRN CC[C@H](C(=O)c1ccc(Br)cc1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC)C(=O)OC ZINC000015320969 555898163 /nfs/dbraw/zinc/89/81/63/555898163.db2.gz ACMUTRQCLIARHL-ZWKOTPCHSA-N 0 0 481.770 5.057 40 0 JKABRN O=C(N(CCc1ccc(Cl)cc1)C(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000015321313 555898484 /nfs/dbraw/zinc/89/84/84/555898484.db2.gz YNJFQHJKVYWGKK-UHFFFAOYSA-N 0 0 480.092 6.671 40 0 JKABRN Cc1cccc(-c2noc(CN(CC(C)C)C(=O)c3cccc(OCc4ccccc4Cl)c3)n2)c1 ZINC000022255392 555903470 /nfs/dbraw/zinc/90/34/70/555903470.db2.gz RGNCWNPGBFKMDS-UHFFFAOYSA-N 0 0 490.003 6.576 40 0 JKABRN CC[C@@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255396 555903526 /nfs/dbraw/zinc/90/35/26/555903526.db2.gz APMUEAJLHPSRJH-HXUWFJFHSA-N 0 0 490.003 6.718 40 0 JKABRN Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C(C)C)C2)cc1 ZINC000022255906 555904121 /nfs/dbraw/zinc/90/41/21/555904121.db2.gz DJQXKZFEJGNTRR-FQEVSTJZSA-N 0 0 452.986 5.352 40 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GZKKBASFSQUKIU-UHFFFAOYSA-N 0 0 494.613 5.129 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccc(C(C)C)cc2)cc1 ZINC000022275720 555912744 /nfs/dbraw/zinc/91/27/44/555912744.db2.gz QBDSYMPUZBVLPB-UHFFFAOYSA-N 0 0 450.604 5.569 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275621 555912765 /nfs/dbraw/zinc/91/27/65/555912765.db2.gz VGLYINBOYJQHLN-UHFFFAOYSA-N 0 0 477.413 5.698 40 0 JKABRN CCOc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022275781 555912783 /nfs/dbraw/zinc/91/27/83/555912783.db2.gz SCRWUPQJMXDIHH-UHFFFAOYSA-N 0 0 466.603 5.351 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2ccccc2Cl)cc1 ZINC000022275847 555913063 /nfs/dbraw/zinc/91/30/63/555913063.db2.gz AUHWANRWMLOGEY-UHFFFAOYSA-N 0 0 464.974 5.636 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2cccc(Cl)c2)cc1 ZINC000022276032 555913101 /nfs/dbraw/zinc/91/31/01/555913101.db2.gz LJCWWFMGWYJWJY-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccc(Cl)cc2)cc1 ZINC000022276125 555913382 /nfs/dbraw/zinc/91/33/82/555913382.db2.gz JIAPFGYPPNTSLC-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(Br)c2)cc1 ZINC000022276268 555913432 /nfs/dbraw/zinc/91/34/32/555913432.db2.gz RCFBHECZONHECX-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccc(Br)cc2)cc1 ZINC000022276430 555913712 /nfs/dbraw/zinc/91/37/12/555913712.db2.gz IFGAMFMEFQYXOM-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccc(Br)cc2)cc1 ZINC000022276435 555913733 /nfs/dbraw/zinc/91/37/33/555913733.db2.gz JOKBDWKIQGMYJI-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN CCOc1ccccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276598 555914047 /nfs/dbraw/zinc/91/40/47/555914047.db2.gz DYFOAJOEBKHJFJ-UHFFFAOYSA-N 0 0 492.519 5.247 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276656 555914049 /nfs/dbraw/zinc/91/40/49/555914049.db2.gz HRDBIZQDCGYGSY-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276849 555914333 /nfs/dbraw/zinc/91/43/33/555914333.db2.gz XFVMKDZFVDNDHB-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277055 555914605 /nfs/dbraw/zinc/91/46/05/555914605.db2.gz KBHKJLXNWJLQKO-UHFFFAOYSA-N 0 0 491.440 6.259 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277022 555914633 /nfs/dbraw/zinc/91/46/33/555914633.db2.gz VQUGQIJEXSMYAD-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277244 555914902 /nfs/dbraw/zinc/91/49/02/555914902.db2.gz UCRWSEOASRUBIO-UHFFFAOYSA-N 0 0 472.994 5.108 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(Cl)cc2C)cc1 ZINC000022277470 555915213 /nfs/dbraw/zinc/91/52/13/555915213.db2.gz KVTUTSUSLXGODR-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cccc(Cl)c2C)cc1 ZINC000022277791 555915491 /nfs/dbraw/zinc/91/54/91/555915491.db2.gz HDKUHLYHJIBJLT-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccc(C)c(Cl)c2)cc1 ZINC000022277981 555915731 /nfs/dbraw/zinc/91/57/31/555915731.db2.gz JEJFKSHJXHNRTA-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN CCOc1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022278011 555915740 /nfs/dbraw/zinc/91/57/40/555915740.db2.gz RBYIHKIJXANZQP-UHFFFAOYSA-N 0 0 472.994 5.190 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022278176 555916022 /nfs/dbraw/zinc/91/60/22/555916022.db2.gz RYSXTXPVTBAQEL-UHFFFAOYSA-N 0 0 496.938 5.179 40 0 JKABRN Cc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022278207 555916051 /nfs/dbraw/zinc/91/60/51/555916051.db2.gz VKBAFHPGNIFLSQ-UHFFFAOYSA-N 0 0 496.938 5.810 40 0 JKABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000022278755 555916533 /nfs/dbraw/zinc/91/65/33/555916533.db2.gz MVGGSEWAQJUDRJ-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000022278565 555916536 /nfs/dbraw/zinc/91/65/36/555916536.db2.gz UJWYSTSTORTAOV-UHFFFAOYSA-N 0 0 484.643 5.258 40 0 JKABRN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1Cl ZINC000022278691 555916565 /nfs/dbraw/zinc/91/65/65/555916565.db2.gz LABXXDPOOWQFDY-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022303408 555919123 /nfs/dbraw/zinc/91/91/23/555919123.db2.gz MVLCHIMZDHOPHB-QFIPXVFZSA-N 0 0 464.631 5.500 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022307573 555919737 /nfs/dbraw/zinc/91/97/37/555919737.db2.gz FUQQFRPMYRFQAN-IBGZPJMESA-N 0 0 490.547 5.395 40 0 JKABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000022308145 555919802 /nfs/dbraw/zinc/91/98/02/555919802.db2.gz BPVGCEKQAKERES-QHCPKHFHSA-N 0 0 489.424 5.383 40 0 JKABRN Cc1ccc(Cl)cc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000022310874 555920021 /nfs/dbraw/zinc/92/00/21/555920021.db2.gz GMJCWVOVWKUGDX-HSZRJFAPSA-N 0 0 469.006 5.038 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000022310272 555920033 /nfs/dbraw/zinc/92/00/33/555920033.db2.gz OSKYOAUPVARPKS-HSZRJFAPSA-N 0 0 469.006 5.038 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022318343 555920971 /nfs/dbraw/zinc/92/09/71/555920971.db2.gz KLWHOCYUGIWAHG-AREMUKBSSA-N 0 0 480.630 5.083 40 0 JKABRN CC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022318347 555920983 /nfs/dbraw/zinc/92/09/83/555920983.db2.gz KLWHOCYUGIWAHG-SANMLTNESA-N 0 0 480.630 5.083 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2cc(C)cc(C)c2)cc1 ZINC000022318322 555921016 /nfs/dbraw/zinc/92/10/16/555921016.db2.gz CKJZTUBMZURGPI-SANMLTNESA-N 0 0 462.615 5.001 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2ccc(C(C)C)cc2)cc1 ZINC000022319616 555921269 /nfs/dbraw/zinc/92/12/69/555921269.db2.gz VSNXPRCUPBBIJE-MHZLTWQESA-N 0 0 476.642 5.508 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2cccc(Cl)c2)cc1 ZINC000022320478 555921304 /nfs/dbraw/zinc/92/13/04/555921304.db2.gz XSWGMVHSLRLPNI-DEOSSOPVSA-N 0 0 469.006 5.038 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022319242 555921343 /nfs/dbraw/zinc/92/13/43/555921343.db2.gz GSQLLQKNVKLBKM-VWLOTQADSA-N 0 0 480.630 5.029 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022319646 555921357 /nfs/dbraw/zinc/92/13/57/555921357.db2.gz AGIKRIVJXSFKSG-HHHXNRCGSA-N 0 0 494.657 5.590 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022320514 555921369 /nfs/dbraw/zinc/92/13/69/555921369.db2.gz GVUVZYMOZTYSSQ-DEOSSOPVSA-N 0 0 487.021 5.120 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2ccc(C)c(Cl)c2)cc1 ZINC000022326010 555921994 /nfs/dbraw/zinc/92/19/94/555921994.db2.gz GIVFDJFYSNLBJU-VWLOTQADSA-N 0 0 483.033 5.346 40 0 JKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000015653893 555922143 /nfs/dbraw/zinc/92/21/43/555922143.db2.gz MCIRJIGKLNQRRL-UHFFFAOYSA-N 0 0 481.323 5.439 40 0 JKABRN O=C(NC(c1ccccc1)c1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000015655140 555922214 /nfs/dbraw/zinc/92/22/14/555922214.db2.gz LYTDGYWPSDFNOM-UHFFFAOYSA-N 0 0 469.006 5.034 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000022363124 555926064 /nfs/dbraw/zinc/92/60/64/555926064.db2.gz PETXUSATVXOAJQ-OAQYLSRUSA-N 0 0 485.049 5.646 40 0 JKABRN CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022367062 555926306 /nfs/dbraw/zinc/92/63/06/555926306.db2.gz FRGOQAJQXPQDCF-UKQRWCPRSA-N 0 0 492.685 5.114 40 0 JKABRN Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022371458 555926586 /nfs/dbraw/zinc/92/65/86/555926586.db2.gz IKMUGLDWRXAWFN-FQEVSTJZSA-N 0 0 471.022 5.338 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C)c(I)cc1C ZINC000022529182 555931156 /nfs/dbraw/zinc/93/11/56/555931156.db2.gz ZISZHCSEWGLWHS-UHFFFAOYSA-N 0 0 450.103 5.476 40 0 JKABRN O=C(Nc1cccc(Cl)c1Cl)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000022524202 555931170 /nfs/dbraw/zinc/93/11/70/555931170.db2.gz FTKPZWPJSOLXQS-UHFFFAOYSA-N 0 0 455.750 5.700 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5cc4OC)cc3)nc2c1 ZINC000022530288 555931433 /nfs/dbraw/zinc/93/14/33/555931433.db2.gz ANTATJRYRZZKKX-GOSISDBHSA-N 0 0 450.538 7.422 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000022530266 555931451 /nfs/dbraw/zinc/93/14/51/555931451.db2.gz ZQRKPGQTQZMHKH-LJQANCHMSA-N 0 0 450.538 7.179 40 0 JKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000022531274 555931880 /nfs/dbraw/zinc/93/18/80/555931880.db2.gz ABJPQCFHWFJGEA-UHFFFAOYSA-N 0 0 450.991 6.932 40 0 JKABRN CC(C(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1)(c1ccccc1)c1ccccc1 ZINC000022531536 555932069 /nfs/dbraw/zinc/93/20/69/555932069.db2.gz WUWICGZTUDURLI-UHFFFAOYSA-N 0 0 451.349 7.303 40 0 JKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000022531303 555932099 /nfs/dbraw/zinc/93/20/99/555932099.db2.gz UBPDZQUIQBVYAK-UHFFFAOYSA-N 0 0 450.991 6.932 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccccc1Br ZINC000022531466 555932150 /nfs/dbraw/zinc/93/21/50/555932150.db2.gz HIWFYFYEYWRUQE-UHFFFAOYSA-N 0 0 451.320 6.135 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000022532725 555932393 /nfs/dbraw/zinc/93/23/93/555932393.db2.gz DKRXIYRWRUZXHU-UHFFFAOYSA-N 0 0 451.935 5.597 40 0 JKABRN CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 ZINC000022532729 555932420 /nfs/dbraw/zinc/93/24/20/555932420.db2.gz HKPZUEOPCWOXJR-JXMROGBWSA-N 0 0 451.935 6.128 40 0 JKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000022532739 555932426 /nfs/dbraw/zinc/93/24/26/555932426.db2.gz HBXQSGPBZGYZJK-XMMPIXPASA-N 0 0 466.603 5.201 40 0 JKABRN CCCC(=O)NC(=S)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)OCC)cc1 ZINC000022535193 555932938 /nfs/dbraw/zinc/93/29/38/555932938.db2.gz LEFFYQCFCILZMQ-UHFFFAOYSA-N 0 0 453.391 5.378 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc2ccccc2cc1OC ZINC000022533599 555932991 /nfs/dbraw/zinc/93/29/91/555932991.db2.gz XNPVMYWYXCNRQV-UHFFFAOYSA-N 0 0 452.510 6.534 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000022534669 555933001 /nfs/dbraw/zinc/93/30/01/555933001.db2.gz SNMKCUDGXVVHHJ-UHFFFAOYSA-N 0 0 452.938 5.141 40 0 JKABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674179 555933229 /nfs/dbraw/zinc/93/32/29/555933229.db2.gz ZYXFSGAEHQJVMY-IRLDBZIGSA-N 0 0 466.463 5.125 40 0 biogenic,in-vitro JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 ZINC000022535997 555933370 /nfs/dbraw/zinc/93/33/70/555933370.db2.gz XRMMHNQNEZNTKG-KPKJPENVSA-N 0 0 454.368 5.051 40 0 JKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c(C)c1 ZINC000022536799 555933584 /nfs/dbraw/zinc/93/35/84/555933584.db2.gz RMPUTKFFUZVZCC-UHFFFAOYSA-N 0 0 454.821 5.384 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000022537673 555934152 /nfs/dbraw/zinc/93/41/52/555934152.db2.gz XOVAFHPBCKGZAC-UHFFFAOYSA-N 0 0 455.606 6.125 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675770 555934531 /nfs/dbraw/zinc/93/45/31/555934531.db2.gz IBGQFWMWIVGRLO-SFHVURJKSA-N 0 0 488.857 5.463 40 0 biogenic,in-vitro JKABRN COc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Br ZINC000022562362 555934558 /nfs/dbraw/zinc/93/45/58/555934558.db2.gz COGCSVSSPGWZLD-UHFFFAOYSA-N 0 0 456.119 6.382 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(C)c(C)c2)cc1 ZINC000022562448 555934567 /nfs/dbraw/zinc/93/45/67/555934567.db2.gz VJRSVGKQUBCOFQ-UHFFFAOYSA-N 0 0 456.369 6.634 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000022563165 555934571 /nfs/dbraw/zinc/93/45/71/555934571.db2.gz UMZAIAZLABUUHY-UXHICEINSA-N 0 0 456.586 7.539 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3)nc2c1 ZINC000022563160 555934578 /nfs/dbraw/zinc/93/45/78/555934578.db2.gz ZLXSDLUXHDDNMM-FQEVSTJZSA-N 0 0 456.586 7.458 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 ZINC000022563173 555934600 /nfs/dbraw/zinc/93/46/00/555934600.db2.gz UMZAIAZLABUUHY-WOJBJXKFSA-N 0 0 456.586 7.539 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(C)c(C)c2)cc1 ZINC000022562440 555934654 /nfs/dbraw/zinc/93/46/54/555934654.db2.gz DYQSILOZEYAQTQ-UHFFFAOYSA-N 0 0 456.369 6.634 40 0 JKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022563861 555934816 /nfs/dbraw/zinc/93/48/16/555934816.db2.gz IXQRNSQQRRYGOD-UHFFFAOYSA-N 0 0 457.338 6.239 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675860 555934916 /nfs/dbraw/zinc/93/49/16/555934916.db2.gz IXXNDPRSSFOBRG-SFHVURJKSA-N 0 0 455.305 5.098 40 0 biogenic,in-vitro JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)cc(C)c4)cc3n2)cc1 ZINC000022564520 555935328 /nfs/dbraw/zinc/93/53/28/555935328.db2.gz LRCANABWTCREAK-UHFFFAOYSA-N 0 0 457.578 5.209 40 0 JKABRN O=C(NC(=S)Nc1nc2ccc(O)cc2s1)c1cccc2c(Br)cccc12 ZINC000022564865 555935530 /nfs/dbraw/zinc/93/55/30/555935530.db2.gz RIMIGETVQHFSSO-UHFFFAOYSA-N 0 0 458.362 5.044 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(OC)c2)cc1 ZINC000022564838 555935565 /nfs/dbraw/zinc/93/55/65/555935565.db2.gz YRYGOUFQAMHSEO-UHFFFAOYSA-N 0 0 458.341 6.026 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(OC)c2)cc1 ZINC000022564856 555935629 /nfs/dbraw/zinc/93/56/29/555935629.db2.gz CCWNNXMDVOHHQF-UHFFFAOYSA-N 0 0 458.341 6.026 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2s1 ZINC000022566298 555936155 /nfs/dbraw/zinc/93/61/55/555936155.db2.gz AJXQPWVHSSMCBV-IZZDOVSWSA-N 0 0 458.996 5.215 40 0 JKABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000022567378 555936641 /nfs/dbraw/zinc/93/66/41/555936641.db2.gz QTBDCVVKLPDBKA-UHFFFAOYSA-N 0 0 459.615 5.926 40 0 JKABRN COc1ccc(Cl)cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000022568880 555936810 /nfs/dbraw/zinc/93/68/10/555936810.db2.gz CWKRGEOTPGXMND-JXMROGBWSA-N 0 0 461.370 6.097 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)cc(C)c3OC)cc2s1 ZINC000022569726 555937192 /nfs/dbraw/zinc/93/71/92/555937192.db2.gz BQGKZYXOBMXRIO-UHFFFAOYSA-N 0 0 462.369 5.367 40 0 JKABRN Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)c(Cl)c2)c1 ZINC000022569610 555937202 /nfs/dbraw/zinc/93/72/02/555937202.db2.gz DDSFFVUZJQFNRH-UHFFFAOYSA-N 0 0 461.993 5.480 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(Cl)c2)cc1 ZINC000022571289 555937385 /nfs/dbraw/zinc/93/73/85/555937385.db2.gz AFFVQNXZZMQVAB-UHFFFAOYSA-N 0 0 462.760 6.671 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2Cl)cc1 ZINC000022571629 555937438 /nfs/dbraw/zinc/93/74/38/555937438.db2.gz YZLPQNHSEVQTFP-KRWDZBQOSA-N 0 0 462.977 7.296 40 0 JKABRN COc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1N1C(=O)c2ccccc2C1=O ZINC000022571423 555937472 /nfs/dbraw/zinc/93/74/72/555937472.db2.gz LXXMISLRQSOPLQ-UHFFFAOYSA-N 0 0 462.914 5.616 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(I)cc3)o2)cc1Cl ZINC000022572791 555937746 /nfs/dbraw/zinc/93/77/46/555937746.db2.gz USXNXJMLQKSUJD-PKNBQFBNSA-N 0 0 463.702 6.165 40 0 JKABRN CC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)CC1 ZINC000022572959 555938046 /nfs/dbraw/zinc/93/80/46/555938046.db2.gz LCAGZUNPLJCVES-ZRDIBKRKSA-N 0 0 463.965 5.229 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4Cl)cc3n2)cc1 ZINC000022572980 555938110 /nfs/dbraw/zinc/93/81/10/555938110.db2.gz VNRQNRAZGFJQMP-UHFFFAOYSA-N 0 0 463.969 5.246 40 0 JKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3Cl)oc2c(C)c1 ZINC000022572991 555938138 /nfs/dbraw/zinc/93/81/38/555938138.db2.gz JKGOGSVIECJLMG-UHFFFAOYSA-N 0 0 463.990 6.509 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(OC)c(Cl)c4)nc3c2)cc1 ZINC000022574715 555938393 /nfs/dbraw/zinc/93/83/93/555938393.db2.gz ZWNVUKJIILQKFU-INIZCTEOSA-N 0 0 464.949 6.688 40 0 JKABRN Cc1nnc(SCc2ccccc2)n1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000022574844 555938396 /nfs/dbraw/zinc/93/83/96/555938396.db2.gz XJNFFNGWHMBANJ-ACCUITESSA-N 0 0 464.978 5.884 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)cc(Cl)c3)o2)cc1Cl ZINC000022576216 555938661 /nfs/dbraw/zinc/93/86/61/555938661.db2.gz YEBCTNDLQGRNAW-FNORWQNLSA-N 0 0 465.789 6.742 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)c(Cl)c3)o2)cc1Cl ZINC000022576281 555938666 /nfs/dbraw/zinc/93/86/66/555938666.db2.gz NMLWFIIAHMTELV-RMKNXTFCSA-N 0 0 465.789 6.742 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=S)NC(=O)CC(C)C)cc1 ZINC000022578933 555939264 /nfs/dbraw/zinc/93/92/64/555939264.db2.gz LRJQCZPVMATGCU-UHFFFAOYSA-N 0 0 467.418 5.624 40 0 JKABRN Cc1cccc(N2C(=O)C3=C(C2=O)[C@H](c2ccc(Cl)cc2Cl)Nc2ccccc2S3)c1 ZINC000022578792 555939345 /nfs/dbraw/zinc/93/93/45/555939345.db2.gz XETQPAKTMLDONZ-NRFANRHFSA-N 0 0 467.377 6.388 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cc3ccccc3o2)cc1 ZINC000022580082 555939726 /nfs/dbraw/zinc/93/97/26/555939726.db2.gz CHTJJOSCJNKPLR-UHFFFAOYSA-N 0 0 468.336 6.763 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000022705310 555942813 /nfs/dbraw/zinc/94/28/13/555942813.db2.gz BLYXMXMVLYDPQJ-OAHLLOKOSA-N 0 0 469.368 7.333 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(C(C)(C)C)ccc3O)o2)cc1Cl ZINC000022705147 555942819 /nfs/dbraw/zinc/94/28/19/555942819.db2.gz ZEZXTNVMCQRHDD-FMIVXFBMSA-N 0 0 469.006 6.438 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)cc1 ZINC000022705327 555942821 /nfs/dbraw/zinc/94/28/21/555942821.db2.gz MJNZGWXPUXBPQN-OAHLLOKOSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)cc1 ZINC000022705276 555942835 /nfs/dbraw/zinc/94/28/35/555942835.db2.gz YGZCTCZKZIJBQR-OAHLLOKOSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 ZINC000022705318 555942851 /nfs/dbraw/zinc/94/28/51/555942851.db2.gz WQNDZGCDHCTGKW-OAHLLOKOSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@H](C)C(=O)N1c2ccc(OC(=O)c3ccccc3)cc2-c2c(=S)ssc2C1(C)C ZINC000022705993 555943232 /nfs/dbraw/zinc/94/32/32/555943232.db2.gz OCECVFSKHFPTCX-AWEZNQCLSA-N 0 0 469.653 7.053 40 0 JKABRN COc1ccc(C(=O)N2c3ccc(C)cc3[C@H](N(C(=O)C(C)C)c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000022706855 555943649 /nfs/dbraw/zinc/94/36/49/555943649.db2.gz VWMRIZYATRDLOA-SKCUWOTOSA-N 0 0 470.613 6.481 40 0 JKABRN COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H](N(C(=O)C(C)C)c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000022706861 555943711 /nfs/dbraw/zinc/94/37/11/555943711.db2.gz VWMRIZYATRDLOA-DFHRPNOPSA-N 0 0 470.613 6.481 40 0 JKABRN CCCCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 ZINC000022706864 555943717 /nfs/dbraw/zinc/94/37/17/555943717.db2.gz WFESHXQKNUSIQZ-NRFANRHFSA-N 0 0 470.613 8.220 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2C)cc1 ZINC000022706840 555943741 /nfs/dbraw/zinc/94/37/41/555943741.db2.gz OCLWFEPABNTSCV-UXHICEINSA-N 0 0 470.613 7.848 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2s1 ZINC000022706977 555943756 /nfs/dbraw/zinc/94/37/56/555943756.db2.gz GAFFAUYXIMYEJA-UHFFFAOYSA-N 0 0 470.664 5.454 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C(Cl)(Cl)Cl)cc3)nc2c1 ZINC000022706996 555943776 /nfs/dbraw/zinc/94/37/76/555943776.db2.gz PINMBWYZWHBZDV-NSHDSACASA-N 0 0 470.809 6.192 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)c4ccccc4)c(C)c3)o2)cc1Cl ZINC000022707110 555943789 /nfs/dbraw/zinc/94/37/89/555943789.db2.gz WWBYEYXGYAROON-NTCAYCPXSA-N 0 0 470.956 7.121 40 0 JKABRN CCNC(=O)N(c1ccc(C)cc1)[C@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2)c2ccc(C)cc21 ZINC000022707765 555944271 /nfs/dbraw/zinc/94/42/71/555944271.db2.gz UQLQMWSVLUHVOD-IDISGSTGSA-N 0 0 471.601 6.028 40 0 JKABRN CCNC(=O)N(c1ccc(C)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2)c2ccc(C)cc21 ZINC000022707762 555944328 /nfs/dbraw/zinc/94/43/28/555944328.db2.gz UQLQMWSVLUHVOD-KDYSTLNUSA-N 0 0 471.601 6.028 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2cccc(C)c2)cc1 ZINC000022708046 555944450 /nfs/dbraw/zinc/94/44/50/555944450.db2.gz RTZBXCIOGMYPJJ-UHFFFAOYSA-N 0 0 472.368 6.091 40 0 JKABRN Cc1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000022707934 555944497 /nfs/dbraw/zinc/94/44/97/555944497.db2.gz PMYRFMKRKMRQKR-UHFFFAOYSA-N 0 0 472.004 6.031 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl ZINC000022708086 555944506 /nfs/dbraw/zinc/94/45/06/555944506.db2.gz BHFPANNUSLKJAY-UHFFFAOYSA-N 0 0 472.422 6.705 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(C)c2OC)cc1 ZINC000022708049 555944539 /nfs/dbraw/zinc/94/45/39/555944539.db2.gz SYQSUBKFLPNASP-UHFFFAOYSA-N 0 0 472.368 6.334 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc(-c2nc3ccccc3o2)c1O ZINC000022707997 555944543 /nfs/dbraw/zinc/94/45/43/555944543.db2.gz UIEDODZGRDLQEF-UHFFFAOYSA-N 0 0 472.353 5.942 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 ZINC000022708404 555944773 /nfs/dbraw/zinc/94/47/73/555944773.db2.gz LXTDWGKXESSQHK-IBGZPJMESA-N 0 0 472.585 7.158 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c(Cl)c1 ZINC000022708088 555944781 /nfs/dbraw/zinc/94/47/81/555944781.db2.gz JQCWMYLQTLJCMP-UHFFFAOYSA-N 0 0 472.422 6.705 40 0 JKABRN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000022708249 555944795 /nfs/dbraw/zinc/94/47/95/555944795.db2.gz GUGKYDUVIJDKQG-XMMPIXPASA-N 0 0 472.532 5.743 40 0 JKABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022708097 555944802 /nfs/dbraw/zinc/94/48/02/555944802.db2.gz MIYQGUUYYDXPMS-UHFFFAOYSA-N 0 0 472.422 6.326 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)cc4)cc3n2)cc1 ZINC000022708510 555945088 /nfs/dbraw/zinc/94/50/88/555945088.db2.gz NPXKVANYKQPBMC-UHFFFAOYSA-N 0 0 472.618 5.010 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1Cl ZINC000022709906 555945332 /nfs/dbraw/zinc/94/53/32/555945332.db2.gz GNZMPPSMFYHGKR-FNORWQNLSA-N 0 0 473.800 7.598 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc2ccccc2c1 ZINC000022710040 555945342 /nfs/dbraw/zinc/94/53/42/555945342.db2.gz OVVAVBJGPZPCPZ-UHFFFAOYSA-N 0 0 474.010 6.897 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc2ccccc2c1 ZINC000022710037 555945386 /nfs/dbraw/zinc/94/53/86/555945386.db2.gz JUJVALFFUUXMOL-UHFFFAOYSA-N 0 0 474.010 6.897 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc(C)cc4)cc3)nc2c1 ZINC000022709669 555945422 /nfs/dbraw/zinc/94/54/22/555945422.db2.gz PXJAUDHZKOKJLC-GOSISDBHSA-N 0 0 473.598 6.209 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2s1 ZINC000022710156 555945715 /nfs/dbraw/zinc/94/57/15/555945715.db2.gz HMZDZZFDMMBLGQ-UHFFFAOYSA-N 0 0 474.369 6.854 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)o2)cc1Cl ZINC000022711077 555945759 /nfs/dbraw/zinc/94/57/59/555945759.db2.gz KZCFDMKPOPAQJW-DHZHZOJOSA-N 0 0 474.910 7.179 40 0 JKABRN COc1cc(NC(=O)C(C)(c2ccccc2)c2ccccc2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022712653 555946326 /nfs/dbraw/zinc/94/63/26/555946326.db2.gz VEKVDZWVQZBKKY-UHFFFAOYSA-N 0 0 476.532 5.441 40 0 JKABRN Cc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)c3)nn12 ZINC000022712129 555946349 /nfs/dbraw/zinc/94/63/49/555946349.db2.gz NKFGLLJVHZVDBM-PKNBQFBNSA-N 0 0 475.961 6.035 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000022713151 555946602 /nfs/dbraw/zinc/94/66/02/555946602.db2.gz SFPWDWZWULHCRM-UHFFFAOYSA-N 0 0 476.787 6.599 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1 ZINC000022712821 555946624 /nfs/dbraw/zinc/94/66/24/555946624.db2.gz LVZKYNJFEYTFKH-NRFANRHFSA-N 0 0 476.576 7.693 40 0 JKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Cl ZINC000022713530 555946852 /nfs/dbraw/zinc/94/68/52/555946852.db2.gz WAVUGXDIUVBNLV-UHFFFAOYSA-N 0 0 477.417 5.070 40 0 JKABRN CCCCN1CN(c2nc3ccc(Cl)cc3s2)CN(c2nc3ccc(Cl)cc3s2)C1 ZINC000022714362 555947085 /nfs/dbraw/zinc/94/70/85/555947085.db2.gz DEVKDYAZUGUXBT-UHFFFAOYSA-N 0 0 478.474 6.514 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cc4ccccc4cc3OC)cc2s1 ZINC000022715139 555947091 /nfs/dbraw/zinc/94/70/91/555947091.db2.gz DAWSCGMGBKUEOP-UHFFFAOYSA-N 0 0 478.599 5.324 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc3ccccc3c2)cc1 ZINC000022714258 555947206 /nfs/dbraw/zinc/94/72/06/555947206.db2.gz JQKXSFJTUPXXBR-UHFFFAOYSA-N 0 0 478.375 7.170 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(C)cc1I ZINC000022715655 555947408 /nfs/dbraw/zinc/94/74/08/555947408.db2.gz KTNNWBKITPXWHS-UHFFFAOYSA-N 0 0 479.170 5.342 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 ZINC000022715752 555947451 /nfs/dbraw/zinc/94/74/51/555947451.db2.gz FTMZTNXVSCWUAH-MRXNPFEDSA-N 0 0 479.374 6.788 40 0 JKABRN CCCCCC(=O)NC(=S)N(Cc1ccc(Cl)cc1Cl)c1ccc(C(=O)OCC)cc1 ZINC000022718280 555948037 /nfs/dbraw/zinc/94/80/37/555948037.db2.gz TZZPYLIXDQORPH-UHFFFAOYSA-N 0 0 481.445 6.158 40 0 JKABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000022739076 555948367 /nfs/dbraw/zinc/94/83/67/555948367.db2.gz SFEUTCIQNQXTDX-UHFFFAOYSA-N 0 0 482.030 6.531 40 0 JKABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000022739054 555948409 /nfs/dbraw/zinc/94/84/09/555948409.db2.gz ZDMCVVFRFCNEGO-UHFFFAOYSA-N 0 0 482.030 6.531 40 0 JKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000022739105 555948435 /nfs/dbraw/zinc/94/84/35/555948435.db2.gz ASHFFVMUXQBHHL-UHFFFAOYSA-N 0 0 482.146 8.177 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)c1 ZINC000022739169 555948556 /nfs/dbraw/zinc/94/85/56/555948556.db2.gz GXIPMAOOIBWPIW-UHFFFAOYSA-N 0 0 482.387 5.214 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(OCC)c(Br)c2)cc1 ZINC000022740525 555948948 /nfs/dbraw/zinc/94/89/48/555948948.db2.gz LWTCJMNOCUTZJF-UHFFFAOYSA-N 0 0 483.362 5.267 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)cc1 ZINC000022740560 555948952 /nfs/dbraw/zinc/94/89/52/555948952.db2.gz DSJPPEVTIGZZQP-OAHLLOKOSA-N 0 0 483.395 7.641 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)ccc3o2)cc1C ZINC000022740237 555948962 /nfs/dbraw/zinc/94/89/62/555948962.db2.gz KTNQZXGOESZGRX-JLHYYAGUSA-N 0 0 482.967 7.985 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cccc2c(O)cccc12 ZINC000022740537 555948994 /nfs/dbraw/zinc/94/89/94/555948994.db2.gz BDKXNPDNTFVKPZ-CSKARUKUSA-N 0 0 483.376 6.639 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)ccc3o2)c(C)c1 ZINC000022740230 555949007 /nfs/dbraw/zinc/94/90/07/555949007.db2.gz KFFXFHXBKJRZPL-UKTHLTGXSA-N 0 0 482.967 7.985 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3)nc2c1 ZINC000022741241 555949188 /nfs/dbraw/zinc/94/91/88/555949188.db2.gz SNZHCLOIXORTIC-AWEZNQCLSA-N 0 0 483.793 7.677 40 0 JKABRN Cc1ccc2nc(-c3ccc(N4C(=O)CS[C@]45c4cccc6c4N(CCC6)C5=O)cc3)sc2c1 ZINC000022741071 555949301 /nfs/dbraw/zinc/94/93/01/555949301.db2.gz YFHHHKQKSNMWPI-MHZLTWQESA-N 0 0 483.618 5.497 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3)nc2c1 ZINC000022741237 555949311 /nfs/dbraw/zinc/94/93/11/555949311.db2.gz SNZHCLOIXORTIC-CQSZACIVSA-N 0 0 483.793 7.677 40 0 JKABRN COc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 ZINC000022741403 555949317 /nfs/dbraw/zinc/94/93/17/555949317.db2.gz VVMJMPAXBXRDDZ-JXMROGBWSA-N 0 0 484.002 6.053 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc4c(c3)Cc3ccccc3-4)o2)cc1Cl ZINC000022742595 555949823 /nfs/dbraw/zinc/94/98/23/555949823.db2.gz ATZYMDSHPPAIMI-JLHYYAGUSA-N 0 0 485.008 7.006 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1 ZINC000022743220 555949838 /nfs/dbraw/zinc/94/98/38/555949838.db2.gz GRLVBAFIKVBSBE-QHCPKHFHSA-N 0 0 485.628 5.488 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 ZINC000022743241 555949899 /nfs/dbraw/zinc/94/98/99/555949899.db2.gz BACHNABWQXUKCN-UHFFFAOYSA-N 0 0 485.632 6.024 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(C)c(I)cc1C ZINC000022743576 555950222 /nfs/dbraw/zinc/95/02/22/555950222.db2.gz IACCAVDLMRRMPC-QPJJXVBHSA-N 0 0 486.147 5.331 40 0 JKABRN Cc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)cc1I ZINC000022743572 555950249 /nfs/dbraw/zinc/95/02/49/555950249.db2.gz FLZUIKJVFHCBTI-UHFFFAOYSA-N 0 0 486.136 6.727 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2I)cc1 ZINC000022746063 555950892 /nfs/dbraw/zinc/95/08/92/555950892.db2.gz QGSFAWVHQOKEOO-LBPRGKRZSA-N 0 0 488.163 5.585 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000022746888 555951433 /nfs/dbraw/zinc/95/14/33/555951433.db2.gz YEJUTTDSGCFIEN-LHHJGKSTSA-N 0 0 488.798 7.070 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 ZINC000022748235 555951702 /nfs/dbraw/zinc/95/17/02/555951702.db2.gz ZQEHLPHTYYYWLZ-UHFFFAOYSA-N 0 0 490.032 6.696 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c(-c4nc5ncccc5o4)c3)o2)cc1Cl ZINC000022748296 555952009 /nfs/dbraw/zinc/95/20/09/555952009.db2.gz MYEPPVASKQNYDG-DHZHZOJOSA-N 0 0 490.346 7.417 40 0 JKABRN COc1cc(CN(C(=O)/C=C/c2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(N)=O ZINC000022749515 555952016 /nfs/dbraw/zinc/95/20/16/555952016.db2.gz DCLYQHCDAKNCKL-FMIVXFBMSA-N 0 0 491.415 5.241 40 0 JKABRN Cc1ccc2nc(N3CN(CCc4cccs4)CN(c4nc5ccc(C)cc5s4)C3)sc2c1 ZINC000022750069 555952314 /nfs/dbraw/zinc/95/23/14/555952314.db2.gz RTCHIOAMDIBFFM-UHFFFAOYSA-N 0 0 491.711 6.328 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cc(Cl)ccc2OC)cc1 ZINC000022751138 555952414 /nfs/dbraw/zinc/95/24/14/555952414.db2.gz YBLZYOHQAQOHOL-UHFFFAOYSA-N 0 0 492.786 6.679 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc(Cl)c1Cl ZINC000022751176 555952662 /nfs/dbraw/zinc/95/26/62/555952662.db2.gz JQQVSIRVYCJUFF-UHFFFAOYSA-N 0 0 492.840 7.050 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000022751164 555952759 /nfs/dbraw/zinc/95/27/59/555952759.db2.gz NCYGSRAHCNWHNB-UHFFFAOYSA-N 0 0 492.840 7.050 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(N4CCCC[C@H]4C)cc3)o2)cc1Cl ZINC000022752969 555953042 /nfs/dbraw/zinc/95/30/42/555953042.db2.gz ACMZRMCMDSOWFD-OCKXMSAZSA-N 0 0 494.060 6.814 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4Cl)cc3)nc2c1 ZINC000022752807 555953089 /nfs/dbraw/zinc/95/30/89/555953089.db2.gz CPAUEINFSPNQBD-MRXNPFEDSA-N 0 0 494.016 6.554 40 0 JKABRN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1Br ZINC000022754494 555953464 /nfs/dbraw/zinc/95/34/64/555953464.db2.gz MAUJKBIZKJFPMH-UHFFFAOYSA-N 0 0 495.373 6.534 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000022755772 555953675 /nfs/dbraw/zinc/95/36/75/555953675.db2.gz KZRLFGDPSSZOBQ-UHFFFAOYSA-N 0 0 496.057 6.922 40 0 JKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000022755777 555953694 /nfs/dbraw/zinc/95/36/94/555953694.db2.gz XXGFGKJWOGDOHE-UHFFFAOYSA-N 0 0 496.057 6.778 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(I)c4)cc3)nc2c1 ZINC000022755878 555954085 /nfs/dbraw/zinc/95/40/85/555954085.db2.gz VWUDBHLTXIPVSG-HNNXBMFYSA-N 0 0 496.348 6.865 40 0 JKABRN CCN(CC)c1ccc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)c(C)c1 ZINC000022755813 555954102 /nfs/dbraw/zinc/95/41/02/555954102.db2.gz WUIQTNJNLOXLSX-JXMROGBWSA-N 0 0 496.243 6.027 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4I)cc3)nc2c1 ZINC000022755886 555954125 /nfs/dbraw/zinc/95/41/25/555954125.db2.gz HUTUUDJEGRSVBP-HNNXBMFYSA-N 0 0 496.348 6.865 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000022757573 555954371 /nfs/dbraw/zinc/95/43/71/555954371.db2.gz OJBREJLSRNEGPW-UHFFFAOYSA-N 0 0 497.205 7.324 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)n(-c2nc3ccccc3s2)n1)N1N=CC[C@@H]1c1ccccc1 ZINC000022756685 555954384 /nfs/dbraw/zinc/95/43/84/555954384.db2.gz XDVLNCTZVVLBOG-OAQYLSRUSA-N 0 0 496.621 5.596 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000022757413 555954388 /nfs/dbraw/zinc/95/43/88/555954388.db2.gz NMQQFKVWOVJHQM-WYMLVPIESA-N 0 0 497.016 6.392 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(Br)o2)cc1 ZINC000022757552 555954399 /nfs/dbraw/zinc/95/43/99/555954399.db2.gz OUSNMYWNGYQYGV-UHFFFAOYSA-N 0 0 497.172 6.373 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000022757583 555954419 /nfs/dbraw/zinc/95/44/19/555954419.db2.gz BUZWGFJIDNZMHD-UHFFFAOYSA-N 0 0 497.205 7.324 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc(I)c1 ZINC000022818562 555954751 /nfs/dbraw/zinc/95/47/51/555954751.db2.gz QDHZIOHAHHHDJD-UHFFFAOYSA-N 0 0 498.320 5.977 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3)nc2c1 ZINC000022820260 555955047 /nfs/dbraw/zinc/95/50/47/555955047.db2.gz OJGKEEXZWFXYID-KRWDZBQOSA-N 0 0 499.408 8.176 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000022818647 555955050 /nfs/dbraw/zinc/95/50/50/555955050.db2.gz BPRPJZVKEFASBP-UHFFFAOYSA-N 0 0 498.414 5.899 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccccc1I ZINC000022818568 555955056 /nfs/dbraw/zinc/95/50/56/555955056.db2.gz XWZXHTPQZFLYSD-UHFFFAOYSA-N 0 0 498.320 5.977 40 0 JKABRN C/C=C/C(=O)N1c2ccc([C@@]3(C)CC(C)(C)N(C(=O)/C=C/C)c4ccccc43)cc2C(C)=CC1(C)C ZINC000012362751 555958635 /nfs/dbraw/zinc/95/86/35/555958635.db2.gz YTVGYYZDIWWMEV-VFPRJWKXSA-N 0 0 482.668 7.189 40 0 JKABRN COc1ccc2[nH]cc(CCN3C(=O)O[C@@]4(C)CCC[C@@](C)(CCC=C(C)C)O[C@@]34C)c2c1 ZINC000012363899 555959357 /nfs/dbraw/zinc/95/93/57/555959357.db2.gz BUTUMPYYCCFCIX-KWXIBIRDSA-N 0 0 454.611 6.352 40 0 JKABRN CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@]2(O)c3ccccc3N(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000012364951 555959802 /nfs/dbraw/zinc/95/98/02/555959802.db2.gz ALJGYLQPMYBFCF-FLPMJASOSA-N 0 0 459.508 5.471 40 0 JKABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1cccc(-c2ccccc2)c1 ZINC000012376981 555965055 /nfs/dbraw/zinc/96/50/55/555965055.db2.gz LUSAINZAURGVBU-UHFFFAOYSA-N 0 0 460.530 5.327 40 0 JKABRN C[C@@H](O)c1cccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c1 ZINC000012383746 555971929 /nfs/dbraw/zinc/97/19/29/555971929.db2.gz GPIAKAISVYDFDB-YVLXSGLVSA-N 0 0 454.836 5.095 40 0 JKABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc([C@H](C)O)cc4)c(Cl)c3N2)cc1 ZINC000012383699 555971984 /nfs/dbraw/zinc/97/19/84/555971984.db2.gz HDWPAJWJBOYYBC-RZAIGCCYSA-N 0 0 494.901 5.511 40 0 JKABRN CN1CCN(CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@H]3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000022918361 555972067 /nfs/dbraw/zinc/97/20/67/555972067.db2.gz ZGYQVMZTTCMRKW-ZUFNSVOPSA-N 0 0 497.470 5.364 40 0 JKABRN CC1(C)C(C(=O)N(CCN(Cc2ccccc2)C(=O)C2C(C)(C)C2(C)C)Cc2ccccc2)C1(C)C ZINC000012402027 555976473 /nfs/dbraw/zinc/97/64/73/555976473.db2.gz FYTKCTUCJPNRHQ-UHFFFAOYSA-N 0 0 488.716 6.408 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cc(Br)ccc4OC)cc3n2)cc1 ZINC000012412001 555976808 /nfs/dbraw/zinc/97/68/08/555976808.db2.gz QGQHSNROZMHCGH-YIXHJXPBSA-N 0 0 493.361 5.242 40 0 JKABRN COc1ccc(C)cc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@H](C(C)(C)C)C3 ZINC000012467864 555981535 /nfs/dbraw/zinc/98/15/35/555981535.db2.gz LPQYVDWKVMPVGV-HNNXBMFYSA-N 0 0 455.649 5.890 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000012462624 555981658 /nfs/dbraw/zinc/98/16/58/555981658.db2.gz JLVWIHMMMCNWJO-WUXMJOGZSA-N 0 0 463.331 6.226 40 0 JKABRN O=C(c1ccc(Br)cc1)N(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000012469236 555982000 /nfs/dbraw/zinc/98/20/00/555982000.db2.gz FLGHOEPZMVAAOJ-UHFFFAOYSA-N 0 0 473.779 6.666 40 0 JKABRN O=C(c1ccc(Br)cc1)N(CCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000012469210 555982033 /nfs/dbraw/zinc/98/20/33/555982033.db2.gz YUYUZXOINIXDIT-UHFFFAOYSA-N 0 0 497.845 7.116 40 0 JKABRN O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000012469284 555982039 /nfs/dbraw/zinc/98/20/39/555982039.db2.gz YSUXVXWAEYMBQF-UHFFFAOYSA-N 0 0 452.938 6.215 40 0 JKABRN C[C@H]1CCc2c(sc3ncnc(SCC(=O)N(Cc4ccccc4)c4ccccc4)c32)C1 ZINC000012469586 555982042 /nfs/dbraw/zinc/98/20/42/555982042.db2.gz UBDRXGJFAWLSOT-SFHVURJKSA-N 0 0 459.640 6.142 40 0 JKABRN O=C(CSc1ncnc2c(-c3ccc(F)cc3)nsc21)N(c1ccccc1)c1ccccc1 ZINC000012474416 555982234 /nfs/dbraw/zinc/98/22/34/555982234.db2.gz IGZSJUDGYCWCIW-UHFFFAOYSA-N 0 0 472.570 6.349 40 0 JKABRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3Cl)n2-c2cc(C)ccc2C)cc1 ZINC000012473970 555982249 /nfs/dbraw/zinc/98/22/49/555982249.db2.gz ZJLVOEJBWWEVRF-UHFFFAOYSA-N 0 0 492.048 6.189 40 0 JKABRN CCCCc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)cc1 ZINC000012474055 555982284 /nfs/dbraw/zinc/98/22/84/555982284.db2.gz IQDKLMIGAQDVLZ-UHFFFAOYSA-N 0 0 478.021 6.056 40 0 JKABRN Cc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000012475426 555983009 /nfs/dbraw/zinc/98/30/09/555983009.db2.gz BYEVBBBJTXOCNP-GDLZYMKVSA-N 0 0 480.612 5.637 40 0 JKABRN CCc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000012475437 555983084 /nfs/dbraw/zinc/98/30/84/555983084.db2.gz GYIUHSVLJABNQK-SSEXGKCCSA-N 0 0 494.639 5.891 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2c[nH]c3ccccc23)o1 ZINC000012475956 555983318 /nfs/dbraw/zinc/98/33/18/555983318.db2.gz QFRLGHYJDOBGLN-MHZLTWQESA-N 0 0 489.641 5.892 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000012476194 555983382 /nfs/dbraw/zinc/98/33/82/555983382.db2.gz DRPBEZUQRPLVBT-AREMUKBSSA-N 0 0 480.630 5.501 40 0 JKABRN Cc1ccccc1CCN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012475854 555983411 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VLQTUNDJHLEFEQ-STZFKDTASA-N 0 0 496.651 6.719 40 0 JKABRN COc1ccc(CCn2c(-c3ccc(Cl)s3)cs/c2=N\c2ccc(C)cc2C)cc1OC ZINC000015912427 556065751 /nfs/dbraw/zinc/06/57/51/556065751.db2.gz IUSNQVFUJNCBMN-RFBIWTDZSA-N 0 0 485.074 7.041 40 0 JKABRN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccccc1Sc1ccc(Cl)cc1)C(=O)C2 ZINC000015913362 556066107 /nfs/dbraw/zinc/06/61/07/556066107.db2.gz DYSBQIKMDLUQGL-NYHFZMIOSA-N 0 0 450.025 5.628 40 0 JKABRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc12 ZINC000012586617 556084017 /nfs/dbraw/zinc/08/40/17/556084017.db2.gz BVZGNQLKEJCRBU-DLVCFXQMSA-N 0 0 489.037 6.210 40 0 JKABRN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1 ZINC000015953876 556087546 /nfs/dbraw/zinc/08/75/46/556087546.db2.gz COJKTSQFSLKATI-FGPAUOPCSA-N 0 0 499.607 5.836 40 0 biogenic,in-vitro JKABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000012600099 556090121 /nfs/dbraw/zinc/09/01/21/556090121.db2.gz 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/nfs/dbraw/zinc/09/60/67/556096067.db2.gz SBUCDLUYNDIHCZ-CQSZACIVSA-N 0 0 481.643 5.601 40 0 JKABRN Cc1ccc(Cl)cc1N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc32)CC1 ZINC000012639734 556096076 /nfs/dbraw/zinc/09/60/76/556096076.db2.gz MIRIZBSPGYGERF-UHFFFAOYSA-N 0 0 456.402 5.695 40 0 JKABRN CCOc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000012639654 556096107 /nfs/dbraw/zinc/09/61/07/556096107.db2.gz SUKKQOAVIWCWOQ-CQSZACIVSA-N 0 0 453.633 5.823 40 0 JKABRN CCOc1ccc(CN2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc43)CC2)cc1 ZINC000012639767 556096182 /nfs/dbraw/zinc/09/61/82/556096182.db2.gz PAZMBICMMRJWHC-UHFFFAOYSA-N 0 0 466.010 5.128 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)C(=O)Nc2ccccc2)[C@H]2CCCc3ccccc32)o1 ZINC000012641759 556096364 /nfs/dbraw/zinc/09/63/64/556096364.db2.gz WDHHQVNFOQBLQP-ZCYQVOJMSA-N 0 0 487.600 5.089 40 0 JKABRN O=C(CSc1nnc2c3c(-c4ccccc4)csc3ncn12)N(c1ccccc1)c1ccccc1 ZINC000012640895 556096367 /nfs/dbraw/zinc/09/63/67/556096367.db2.gz QQIBPYNZOOLYQK-UHFFFAOYSA-N 0 0 493.617 6.463 40 0 JKABRN Cc1nc(NC(=O)CSc2nnc3c4c(-c5ccc(C)cc5)csc4ncn23)sc1C ZINC000012640998 556096378 /nfs/dbraw/zinc/09/63/78/556096378.db2.gz GFBNOWGEJBYPLN-UHFFFAOYSA-N 0 0 466.617 5.119 40 0 JKABRN C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5ccccc5-c5ccccc5)nnc4c23)C1 ZINC000012640720 556096412 /nfs/dbraw/zinc/09/64/12/556096412.db2.gz PSNSSHGIDLULCF-MRXNPFEDSA-N 0 0 485.638 5.862 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)C(=O)Nc2ccccc2)[C@@H]2CCCc3ccccc32)o1 ZINC000012641746 556096429 /nfs/dbraw/zinc/09/64/29/556096429.db2.gz WDHHQVNFOQBLQP-NOZRDPDXSA-N 0 0 487.600 5.089 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1 ZINC000012643831 556096752 /nfs/dbraw/zinc/09/67/52/556096752.db2.gz WHOJRUAKDNNMHG-UHFFFAOYSA-N 0 0 495.804 6.095 40 0 JKABRN Cc1cccc2cc(CN(Cc3ccccc3Cl)C(=O)c3ccc(Br)cc3)c(=O)[nH]c12 ZINC000012643686 556096773 /nfs/dbraw/zinc/09/67/73/556096773.db2.gz JSTNMTZFKZIEEJ-UHFFFAOYSA-N 0 0 495.804 6.095 40 0 JKABRN CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)Nc1c(CC)cccc1CC ZINC000012643818 556096780 /nfs/dbraw/zinc/09/67/80/556096780.db2.gz UJXBKUDDTZQVIK-CWAQXLGLSA-N 0 0 492.664 5.356 40 0 JKABRN COc1ccccc1CN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=O)c1ccccc1OC ZINC000012644679 556097137 /nfs/dbraw/zinc/09/71/37/556097137.db2.gz AKFNIXQRGQNNTQ-UHFFFAOYSA-N 0 0 456.542 5.005 40 0 JKABRN Cc1cc2cc(CN(Cc3ccccc3Cl)C(=O)c3cccc(Cl)c3)c(=O)[nH]c2cc1C ZINC000012644672 556097231 /nfs/dbraw/zinc/09/72/31/556097231.db2.gz DIRLEDILKUGZBZ-UHFFFAOYSA-N 0 0 465.380 6.294 40 0 JKABRN Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)c2ccccc2Cl)cc1 ZINC000012645513 556097422 /nfs/dbraw/zinc/09/74/22/556097422.db2.gz VIOBQFAQNGQXKK-UHFFFAOYSA-N 0 0 460.917 5.061 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(=O)c3cccc(Cl)c3)cc2c1 ZINC000012645054 556097466 /nfs/dbraw/zinc/09/74/66/556097466.db2.gz IQTNBGHGJFRKDJ-UHFFFAOYSA-N 0 0 460.961 5.384 40 0 JKABRN O=C(c1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012645530 556097499 /nfs/dbraw/zinc/09/74/99/556097499.db2.gz HDVMFBBXMMXTPU-UHFFFAOYSA-N 0 0 481.335 5.406 40 0 JKABRN Cc1ccccc1CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1ccccc1Cl ZINC000012645675 556097773 /nfs/dbraw/zinc/09/77/73/556097773.db2.gz LZTFDSNAVCWDTN-UHFFFAOYSA-N 0 0 474.944 5.104 40 0 JKABRN CCOC(=O)c1ccc(/N=c2\scc(-c3cccc(Br)c3)n2CCOC)cc1 ZINC000012649049 556098111 /nfs/dbraw/zinc/09/81/11/556098111.db2.gz AIZCLMWOHGZJJF-LNVKXUELSA-N 0 0 461.381 5.035 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)nnc2-c2ccccc2Cl)cc1 ZINC000012651706 556098352 /nfs/dbraw/zinc/09/83/52/556098352.db2.gz QFADGKLLKILVID-STSQHVNTSA-N 0 0 499.080 6.019 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000015982379 556100825 /nfs/dbraw/zinc/10/08/25/556100825.db2.gz GVWKVYILUMYCMG-WEYGHZABSA-N 0 0 491.600 6.636 40 0 JKABRN COc1ccc(C(=O)N(Cc2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC ZINC000012702065 556102972 /nfs/dbraw/zinc/10/29/72/556102972.db2.gz KBGQUZULHTVWOI-SANMLTNESA-N 0 0 476.573 5.048 40 0 JKABRN COc1ccc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC ZINC000012702058 556102985 /nfs/dbraw/zinc/10/29/85/556102985.db2.gz KBGQUZULHTVWOI-AREMUKBSSA-N 0 0 476.573 5.048 40 0 JKABRN COc1ccc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1OC ZINC000012702374 556103015 /nfs/dbraw/zinc/10/30/15/556103015.db2.gz NMXQCBGBHWQKRU-RUZDIDTESA-N 0 0 496.991 5.393 40 0 JKABRN Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000012704100 556103203 /nfs/dbraw/zinc/10/32/03/556103203.db2.gz NBZHFVUNMBUGGQ-UHFFFAOYSA-N 0 0 459.977 6.341 40 0 JKABRN COc1ccccc1NC(=O)N(CCc1ccccc1C)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000012704190 556103280 /nfs/dbraw/zinc/10/32/80/556103280.db2.gz GWLUDNKWBACHIA-UHFFFAOYSA-N 0 0 469.585 5.739 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000012706930 556103782 /nfs/dbraw/zinc/10/37/82/556103782.db2.gz HXAYGZPYPKBDLQ-UHFFFAOYSA-N 0 0 474.004 6.329 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000012706976 556103818 /nfs/dbraw/zinc/10/38/18/556103818.db2.gz KPFMRMMBTGXJSN-UHFFFAOYSA-N 0 0 463.940 6.117 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)Nc3ccccc3OC)cc2c1 ZINC000012707515 556104122 /nfs/dbraw/zinc/10/41/22/556104122.db2.gz YKJMVDPOKWNDBC-UHFFFAOYSA-N 0 0 471.557 5.131 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(=O)Nc3ccccc3OC)cc2c1 ZINC000012707547 556104150 /nfs/dbraw/zinc/10/41/50/556104150.db2.gz XSBPPGZMJFQHBE-UHFFFAOYSA-N 0 0 471.557 5.131 40 0 JKABRN COc1ccc(NC(=O)N(Cc2ccc(Cl)cc2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000012708089 556104159 /nfs/dbraw/zinc/10/41/59/556104159.db2.gz WHWXGLOHNXGQBM-UHFFFAOYSA-N 0 0 477.948 5.433 40 0 JKABRN O=C(Nc1ccccc1Cl)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012710866 556104480 /nfs/dbraw/zinc/10/44/80/556104480.db2.gz HCVAKVBMDUEDOU-UHFFFAOYSA-N 0 0 467.934 5.206 40 0 JKABRN Cc1cc(C)cc(N(C(=O)c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000012714812 556104709 /nfs/dbraw/zinc/10/47/09/556104709.db2.gz DTDLHMXNLYAHIH-AREMUKBSSA-N 0 0 490.575 5.517 40 0 JKABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2c(C)cccc2C)cc1 ZINC000012712658 556104748 /nfs/dbraw/zinc/10/47/48/556104748.db2.gz GPFJHWBDTOZVJV-LJAQVGFWSA-N 0 0 497.643 5.293 40 0 JKABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(C)c2)cc1 ZINC000012712696 556104752 /nfs/dbraw/zinc/10/47/52/556104752.db2.gz OTIQJKVKFYYAND-GDLZYMKVSA-N 0 0 497.643 5.293 40 0 JKABRN C[C@H]1[C@H](NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)CCC[C@@H]1C ZINC000023956169 556104874 /nfs/dbraw/zinc/10/48/74/556104874.db2.gz LCDFURMWZBNWHD-HDMKZQKVSA-N 0 0 456.995 5.714 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012716221 556105124 /nfs/dbraw/zinc/10/51/24/556105124.db2.gz KRRLEXUANUKTTH-SANMLTNESA-N 0 0 494.588 5.382 40 0 JKABRN COc1ccc(C(=O)Nc2ccc3nc(C)n(Cc4ccc(-c5ccccc5)cc4)c(=O)c3c2)cc1 ZINC000012834083 556116123 /nfs/dbraw/zinc/11/61/23/556116123.db2.gz CPYIHPITJNWIBK-UHFFFAOYSA-N 0 0 475.548 5.681 40 0 JKABRN Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4CCc4ccccc43)o2)c1 ZINC000012833721 556116142 /nfs/dbraw/zinc/11/61/42/556116142.db2.gz YQIJMALYGNFZGV-LJQANCHMSA-N 0 0 455.583 6.298 40 0 JKABRN Cc1sc2c(c1C)C(c1cccc(C)c1)=NCC(=O)N2CC(=O)N(c1ccccc1)c1ccccc1 ZINC000012833962 556116169 /nfs/dbraw/zinc/11/61/69/556116169.db2.gz UKDMZZNQLUHZJG-UHFFFAOYSA-N 0 0 493.632 6.222 40 0 JKABRN C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccccc4Oc4ccccc4)c32)C1 ZINC000012833700 556116181 /nfs/dbraw/zinc/11/61/81/556116181.db2.gz NPARYPJBDHHCIY-INIZCTEOSA-N 0 0 461.612 6.339 40 0 JKABRN Cc1ccc(C2=NCC(=O)N(CC(=O)Nc3c(C)cccc3C)c3sc4c(c32)CCCC4)cc1 ZINC000012834004 556116190 /nfs/dbraw/zinc/11/61/90/556116190.db2.gz SUXXMLVXTJPLND-UHFFFAOYSA-N 0 0 471.626 5.375 40 0 JKABRN O=C1CN=C(c2ccc(Br)cc2)c2c3c(sc2N1Cc1ccc(F)cc1)CCCC3 ZINC000012834018 556116197 /nfs/dbraw/zinc/11/61/97/556116197.db2.gz GIMNEVSLLRJDDX-UHFFFAOYSA-N 0 0 483.406 5.913 40 0 JKABRN Cc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000012834084 556116204 /nfs/dbraw/zinc/11/62/04/556116204.db2.gz XJJZBWOYSGWIGD-UHFFFAOYSA-N 0 0 479.967 6.326 40 0 JKABRN Cc1ccc(NC(=O)CN2c3sc4c(c3C(c3ccc(C)cc3)=NCC2=O)CCCC4)cc1 ZINC000012833992 556116212 /nfs/dbraw/zinc/11/62/12/556116212.db2.gz KJBVEZBQILNYKX-UHFFFAOYSA-N 0 0 457.599 5.066 40 0 JKABRN Cc1nc2ccc(NC(=O)c3ccccc3F)cc2c(=O)n1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000012834106 556116454 /nfs/dbraw/zinc/11/64/54/556116454.db2.gz DKHODAGJSCCTPH-UHFFFAOYSA-N 0 0 497.957 6.465 40 0 JKABRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012844512 556117104 /nfs/dbraw/zinc/11/71/04/556117104.db2.gz MHMGUKMFBQGMFF-KWJFTMPMSA-N 0 0 461.553 5.728 40 0 JKABRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012844514 556117139 /nfs/dbraw/zinc/11/71/39/556117139.db2.gz MHMGUKMFBQGMFF-NSDYXAQKSA-N 0 0 461.553 5.728 40 0 JKABRN COc1cc2c(cc1NC(=O)CC13C[C@H]4C[C@H](CC(Br)(C4)C1)C3)oc1ccccc12 ZINC000016035729 556119255 /nfs/dbraw/zinc/11/92/55/556119255.db2.gz OEQNDTSASAXFJH-MEYXOBLXSA-N 0 0 468.391 6.657 40 0 JKABRN Cc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2cc(Cl)ccc2C)c1 ZINC000012871168 556120962 /nfs/dbraw/zinc/12/09/62/556120962.db2.gz NXCHAYZGZLAHLV-HXUWFJFHSA-N 0 0 456.999 5.111 40 0 JKABRN Cc1ccc(C)c(CN2c3cc(C(=O)Nc4ccc5c(c4)CCC5)ccc3OC(C)(C)C2=O)c1 ZINC000012876102 556121820 /nfs/dbraw/zinc/12/18/20/556121820.db2.gz QPTADNSZMIXFKP-UHFFFAOYSA-N 0 0 454.570 5.749 40 0 JKABRN C[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012876570 556122124 /nfs/dbraw/zinc/12/21/24/556122124.db2.gz RKDCAMBKGKRXFM-SFHVURJKSA-N 0 0 471.651 6.694 40 0 JKABRN CCOc1ccccc1NC(=S)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000012878343 556122543 /nfs/dbraw/zinc/12/25/43/556122543.db2.gz FYHXUTRMICXUHT-UHFFFAOYSA-N 0 0 459.040 5.381 40 0 JKABRN COc1ccc(OC)c(-c2csc3nnc(SCC(=O)Nc4ccc(C)c(Cl)c4)n23)c1 ZINC000012878897 556122709 /nfs/dbraw/zinc/12/27/09/556122709.db2.gz LSKWLBDOCFGATF-UHFFFAOYSA-N 0 0 474.995 5.168 40 0 JKABRN CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)nnc1-c1ccccc1 ZINC000024141813 556123035 /nfs/dbraw/zinc/12/30/35/556123035.db2.gz ZOEFFVMLQWKZOL-UHFFFAOYSA-N 0 0 471.586 5.257 40 0 JKABRN CC(C)Cc1cc(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c2ccccc2n1 ZINC000012880585 556123323 /nfs/dbraw/zinc/12/33/23/556123323.db2.gz IJYLQPIPTFDVHK-AREMUKBSSA-N 0 0 462.565 5.919 40 0 JKABRN CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000016116081 556126844 /nfs/dbraw/zinc/12/68/44/556126844.db2.gz QQJAOWZHNWOEHA-NPLHHVMXSA-N 0 0 475.544 5.287 40 0 JKABRN C=C/C(=C\C=C(/C)Cl)NC(=O)NCc1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1 ZINC000016136503 556126860 /nfs/dbraw/zinc/12/68/60/556126860.db2.gz UCBMPFAIDKAVIG-YVUGBWANSA-N 0 0 459.377 5.673 40 0 JKABRN COc1cccc(OC)c1C(=O)P(=O)(C[C@H](C)CC(C)(C)C)C(=O)c1c(OC)cccc1OC ZINC000016124881 556126943 /nfs/dbraw/zinc/12/69/43/556126943.db2.gz LFOXEOLGJPJZAA-QGZVFWFLSA-N 0 0 490.533 6.137 40 0 JKABRN CCc1nc2sc3c(c2c2c1CCCC2)N=C(c1ccccc1)c1cc(Cl)ccc1NC3=O ZINC000016161206 556127121 /nfs/dbraw/zinc/12/71/21/556127121.db2.gz PLPSHOHJTRJDSN-UHFFFAOYSA-N 0 0 472.013 7.126 40 0 JKABRN CCc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000016161525 556127160 /nfs/dbraw/zinc/12/71/60/556127160.db2.gz OWMJPHYPZNZQGU-UHFFFAOYSA-N 0 0 465.582 5.571 40 0 JKABRN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2OCc2ccccc2Cl)N1c1ccc(F)cc1 ZINC000016138883 556127173 /nfs/dbraw/zinc/12/71/73/556127173.db2.gz GJGCZXDKIQMRBB-GDLZYMKVSA-N 0 0 499.973 6.986 40 0 JKABRN S=C(NCCCCCCCCCCCCNC(=S)NC1CCCCC1)NC1CCCCC1 ZINC000016137863 556127212 /nfs/dbraw/zinc/12/72/12/556127212.db2.gz QOPDYULBXOQQLT-UHFFFAOYSA-N 0 0 482.848 6.481 40 0 JKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)S2)cc1 ZINC000016161904 556127401 /nfs/dbraw/zinc/12/74/01/556127401.db2.gz LEMNWIOGFOFWJK-VVNKCDPRSA-N 0 0 485.436 6.734 40 0 JKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)S2)cc1 ZINC000016161900 556127448 /nfs/dbraw/zinc/12/74/48/556127448.db2.gz HPBVBJNAUDTMJC-LWUPDDLQSA-N 0 0 495.442 6.190 40 0 JKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)S2)cc1 ZINC000016161915 556127464 /nfs/dbraw/zinc/12/74/64/556127464.db2.gz AWJZJSKVBKXIHT-ZRELAVNMSA-N 0 0 489.822 6.525 40 0 JKABRN CCOc1cc(OCC)c(/C=C2/S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Br ZINC000016161930 556127481 /nfs/dbraw/zinc/12/74/81/556127481.db2.gz XHPOZJJZQREBPH-PZDOZLBDSA-N 0 0 477.424 5.409 40 0 JKABRN CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccccc1F ZINC000016161896 556127488 /nfs/dbraw/zinc/12/74/88/556127488.db2.gz TUZYYYIQFJYNPC-BIWBSIMWSA-N 0 0 478.589 5.965 40 0 JKABRN CCOc1cc(/C=C2/S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccccc1F ZINC000016161940 556127496 /nfs/dbraw/zinc/12/74/96/556127496.db2.gz TUZYYYIQFJYNPC-QPJBPQEWSA-N 0 0 478.589 5.965 40 0 JKABRN CCc1ccc2oc(-c3cccc(NC(=O)c4cccc(-c5cc6ccccc6oc5=O)c4)c3)nc2c1 ZINC000016162235 556127702 /nfs/dbraw/zinc/12/77/02/556127702.db2.gz OBUFSDMPTYYYQC-UHFFFAOYSA-N 0 0 486.527 7.083 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)CN(C)S(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000016162876 556127744 /nfs/dbraw/zinc/12/77/44/556127744.db2.gz JQUJYOLAHNUUHI-UHFFFAOYSA-N 0 0 490.412 5.380 40 0 JKABRN CCc1ccc(OCC(=O)Nc2nc3ccc(NC(=O)COc4ccc(CC)cc4)cc3s2)cc1 ZINC000016162017 556127790 /nfs/dbraw/zinc/12/77/90/556127790.db2.gz RLJDSUPJSDCFMF-UHFFFAOYSA-N 0 0 489.597 5.456 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3)ccc21 ZINC000016162941 556128072 /nfs/dbraw/zinc/12/80/72/556128072.db2.gz AOGYJCSXGIBQQA-UHFFFAOYSA-N 0 0 499.592 5.633 40 0 JKABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1N1CCCC1 ZINC000016194452 556128556 /nfs/dbraw/zinc/12/85/56/556128556.db2.gz LJQWPVQIIGLFGY-CMDGGOBGSA-N 0 0 480.200 5.472 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000016194473 556128581 /nfs/dbraw/zinc/12/85/81/556128581.db2.gz XTXPSNLPUWNZEQ-UHFFFAOYSA-N 0 0 476.577 5.736 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000016194595 556128626 /nfs/dbraw/zinc/12/86/26/556128626.db2.gz HIABRRSVNYJGFL-MDZDMXLPSA-N 0 0 455.366 6.931 40 0 JKABRN COc1ccc(C(=O)c2noc(-c3cccc4ccccc43)c2S(=O)(=O)c2ccccc2)cc1 ZINC000016216385 556129921 /nfs/dbraw/zinc/12/99/21/556129921.db2.gz VKDLEUROVZZILU-UHFFFAOYSA-N 0 0 469.518 5.567 40 0 JKABRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccc(F)cc2)cc1OC ZINC000016227294 556130168 /nfs/dbraw/zinc/13/01/68/556130168.db2.gz LTKZSCNZUJGMMA-QFIPXVFZSA-N 0 0 480.536 5.234 40 0 JKABRN Cc1nn(-c2ccccc2)c2nc3cc(Nc4cccc(Cl)c4)ccc3c(-c3ccccc3)c12 ZINC000016266093 556131358 /nfs/dbraw/zinc/13/13/58/556131358.db2.gz FBNBXLPBGVDSFD-UHFFFAOYSA-N 0 0 460.968 7.946 40 0 JKABRN COc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1Cl ZINC000016268714 556131608 /nfs/dbraw/zinc/13/16/08/556131608.db2.gz MSKXNNNMTWFIEZ-UHFFFAOYSA-N 0 0 475.759 7.333 40 0 JKABRN COc1cccc(Nc2ccc3c(c2)nc2c(c(C)nn2-c2ccccc2)c3-c2ccccc2)c1 ZINC000016266097 556131661 /nfs/dbraw/zinc/13/16/61/556131661.db2.gz RMBDMMHZWMHBFV-UHFFFAOYSA-N 0 0 456.549 7.301 40 0 JKABRN COCc1cc(C)nc(N=NCc2cc(C)n(-c3ccc(Br)cc3)c2C)c1C#N ZINC000016267763 556131666 /nfs/dbraw/zinc/13/16/66/556131666.db2.gz FCQODGKKNSTNAM-UHFFFAOYSA-N 0 0 452.356 5.024 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nnc2-c2ccncc2)cc1C ZINC000024477173 556132041 /nfs/dbraw/zinc/13/20/41/556132041.db2.gz NSKDUJGPOJFGFP-UHFFFAOYSA-N 0 0 467.957 5.469 40 0 JKABRN Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1NC(=O)c1cc2ccccc2o1 ZINC000016282611 556132463 /nfs/dbraw/zinc/13/24/63/556132463.db2.gz GXFOBZYVASCAME-UHFFFAOYSA-N 0 0 454.913 7.052 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Br)cc2)ccc1NC(=O)c1ccccc1 ZINC000016282681 556132495 /nfs/dbraw/zinc/13/24/95/556132495.db2.gz FLOXNWRWPZIIPO-UHFFFAOYSA-N 0 0 468.376 5.137 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000016284262 556132745 /nfs/dbraw/zinc/13/27/45/556132745.db2.gz OOKFFPLHKYFTLQ-UHFFFAOYSA-N 0 0 460.795 5.700 40 0 JKABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1 ZINC000016283868 556132759 /nfs/dbraw/zinc/13/27/59/556132759.db2.gz ISHGQUTWZJNBFP-UHFFFAOYSA-N 0 0 454.039 7.083 40 0 JKABRN Cc1cc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3C)o2)ccc1-c1nc2ncccc2o1 ZINC000016283283 556132790 /nfs/dbraw/zinc/13/27/90/556132790.db2.gz CMAHCMHDSHWRRF-JLHYYAGUSA-N 0 0 469.928 7.072 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1ccc2ccccc2c1 ZINC000016284368 556132971 /nfs/dbraw/zinc/13/29/71/556132971.db2.gz QQSGMGFYWMFJBV-UHFFFAOYSA-N 0 0 458.521 6.053 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1ccc(Br)cc1 ZINC000016284355 556133029 /nfs/dbraw/zinc/13/30/29/556133029.db2.gz KKVNRYNQVHZPTD-UHFFFAOYSA-N 0 0 487.357 5.662 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cccc(Br)c1 ZINC000016284463 556133218 /nfs/dbraw/zinc/13/32/18/556133218.db2.gz WCGWMGREJPHXLX-UHFFFAOYSA-N 0 0 457.331 5.897 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000016284511 556133243 /nfs/dbraw/zinc/13/32/43/556133243.db2.gz NCJGDJWBVXZBRF-UHFFFAOYSA-N 0 0 486.000 5.591 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000016284536 556133255 /nfs/dbraw/zinc/13/32/55/556133255.db2.gz YRFUKOGJUAZMDX-UHFFFAOYSA-N 0 0 455.518 5.148 40 0 JKABRN O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCC[C@@H]1C(=O)OCc1cccc(Cl)c1 ZINC000024522548 556133252 /nfs/dbraw/zinc/13/32/52/556133252.db2.gz MQFPHXJQXCYMLE-UXHICEINSA-N 0 0 454.979 5.952 40 0 JKABRN Cc1ccc(C(C)C)c(OCc2nc3ccccc3c(=O)n2NC(=O)c2ccc(Cl)cc2)c1 ZINC000016291148 556133701 /nfs/dbraw/zinc/13/37/01/556133701.db2.gz NMQKMZQFIPWLLK-UHFFFAOYSA-N 0 0 461.949 5.445 40 0 JKABRN Cc1ccc(S(=O)(=O)N2C(=S)NC(c3ccccc3Cl)=C[C@H]2c2ccccc2)cc1 ZINC000016310082 556134304 /nfs/dbraw/zinc/13/43/04/556134304.db2.gz JRJGMPODZMETKC-QFIPXVFZSA-N 0 0 455.004 5.310 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)cc1 ZINC000016293380 556134381 /nfs/dbraw/zinc/13/43/81/556134381.db2.gz ZPYSAYBPQYSCQC-UHFFFAOYSA-N 0 0 452.576 5.245 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)c(C)c3)n2)cc1Br ZINC000016311953 556134597 /nfs/dbraw/zinc/13/45/97/556134597.db2.gz ASGQBTUCYKDRMJ-UHFFFAOYSA-N 0 0 476.421 5.325 40 0 JKABRN Cc1ccc(OCC(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1C ZINC000016312580 556134844 /nfs/dbraw/zinc/13/48/44/556134844.db2.gz OLVGDUKOQYVMPA-UHFFFAOYSA-N 0 0 465.541 5.205 40 0 JKABRN Cc1ccc(-c2sc(NC(=O)c3ccccc3Br)nc2-c2ccccc2)cc1C ZINC000016312634 556134950 /nfs/dbraw/zinc/13/49/50/556134950.db2.gz LPTHBDGUHWLBDH-UHFFFAOYSA-N 0 0 463.400 7.109 40 0 JKABRN CC(C)(C)c1ccc(-c2nnc(-c3ccccc3-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)cc1 ZINC000016323299 556135436 /nfs/dbraw/zinc/13/54/36/556135436.db2.gz KUTSBVGFFLVYDY-UHFFFAOYSA-N 0 0 478.596 7.716 40 0 JKABRN CC(=O)Oc1cc2c(cc1Cl)C1(OC(=O)c3ccccc31)c1cc(Cl)c(OC(C)=O)cc1C2 ZINC000016321809 556135449 /nfs/dbraw/zinc/13/54/49/556135449.db2.gz XBCCPCUNCODCAU-UHFFFAOYSA-N 0 0 483.303 5.211 40 0 JKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000016323256 556135456 /nfs/dbraw/zinc/13/54/56/556135456.db2.gz MPVSHUZDARWYOO-UHFFFAOYSA-N 0 0 484.983 7.616 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2)cc1 ZINC000016323156 556135472 /nfs/dbraw/zinc/13/54/72/556135472.db2.gz FOCJVXJUTKPCAE-UHFFFAOYSA-N 0 0 472.972 7.402 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)o2)cc1Cl ZINC000016346636 556135682 /nfs/dbraw/zinc/13/56/82/556135682.db2.gz QBCKMFLURRNFHL-WYMLVPIESA-N 0 0 491.374 7.466 40 0 JKABRN COc1cccc(NC(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)Nc3cccc(OC)c3)c2)c1 ZINC000016323399 556135691 /nfs/dbraw/zinc/13/56/91/556135691.db2.gz YUCSHWHUBXCTDU-UHFFFAOYSA-N 0 0 490.604 5.817 40 0 JKABRN COc1ccccc1NC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2OC)c1 ZINC000016323403 556135724 /nfs/dbraw/zinc/13/57/24/556135724.db2.gz KYFVYVAGNHENQY-UHFFFAOYSA-N 0 0 490.604 5.817 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)ccc3o2)cc1 ZINC000016346716 556135761 /nfs/dbraw/zinc/13/57/61/556135761.db2.gz RNXSSJDTEQKFQO-SDNWHVSQSA-N 0 0 484.939 7.377 40 0 JKABRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)COc1ccc(Br)cc1 ZINC000016347670 556136003 /nfs/dbraw/zinc/13/60/03/556136003.db2.gz QSDBRCFSQQUMII-UHFFFAOYSA-N 0 0 495.402 5.193 40 0 JKABRN Cc1ccc2cc([C@H]3CC(c4cccs4)=NN3S(=O)(=O)c3ccccc3)c(Cl)nc2c1 ZINC000016348834 556136297 /nfs/dbraw/zinc/13/62/97/556136297.db2.gz LDKUQCJRSVQXQI-OAQYLSRUSA-N 0 0 468.003 5.798 40 0 JKABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3)oc2c1 ZINC000016348631 556136358 /nfs/dbraw/zinc/13/63/58/556136358.db2.gz YKTPYAFKLICNJP-UHFFFAOYSA-N 0 0 460.892 6.786 40 0 JKABRN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2OCc2ccccc2Cl)N1c1cccc(C)c1 ZINC000016349530 556136361 /nfs/dbraw/zinc/13/63/61/556136361.db2.gz JXBLMJCWKXQDBF-SSEXGKCCSA-N 0 0 496.010 7.155 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(-c5ccccc5C)nc4c3)o2)cc1Cl ZINC000016363068 556136597 /nfs/dbraw/zinc/13/65/97/556136597.db2.gz KWFXDUUEQOWYDH-SDNWHVSQSA-N 0 0 468.940 7.677 40 0 JKABRN Cc1ccccc1-c1nc(-c2cc(Cl)cc(Cl)c2)ncc1-c1nnnn1-c1ccccc1 ZINC000016363058 556136605 /nfs/dbraw/zinc/13/66/05/556136605.db2.gz PWIYVCAWRLLZMT-UHFFFAOYSA-N 0 0 459.340 6.069 40 0 JKABRN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000016383965 556136656 /nfs/dbraw/zinc/13/66/56/556136656.db2.gz AYYWJFQCNLZZHK-UHFFFAOYSA-N 0 0 484.726 7.362 40 0 JKABRN O=C(NCCCNC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000016385449 556136881 /nfs/dbraw/zinc/13/68/81/556136881.db2.gz FCNHHOGHOMOTCD-UHFFFAOYSA-N 0 0 450.153 5.634 40 0 JKABRN O=C(NCC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000016385440 556136939 /nfs/dbraw/zinc/13/69/39/556136939.db2.gz UHJJRJPMSOQBSR-UHFFFAOYSA-N 0 0 490.218 6.366 40 0 JKABRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1cccc(Cl)c1 ZINC000016398817 556137155 /nfs/dbraw/zinc/13/71/55/556137155.db2.gz ODQRXGQAUHYHGF-UHFFFAOYSA-N 0 0 481.852 5.614 40 0 JKABRN O=C(NCc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000016398750 556137163 /nfs/dbraw/zinc/13/71/63/556137163.db2.gz RBJGRYUJDAKAIH-UHFFFAOYSA-N 0 0 480.408 5.584 40 0 JKABRN O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)NC3CCCCC3)c2)c1)NC1CCCCC1 ZINC000016399686 556137446 /nfs/dbraw/zinc/13/74/46/556137446.db2.gz XAWPXDDICCEJEK-UHFFFAOYSA-N 0 0 498.649 5.428 40 0 JKABRN O=C(NCc1ccc(Cl)cc1)NC[C@H]1CCC[C@H](CNC(=O)NCc2ccc(Cl)cc2)C1 ZINC000016401506 556138311 /nfs/dbraw/zinc/13/83/11/556138311.db2.gz SJVPPZPQXUAIHW-PMACEKPBSA-N 0 0 477.436 5.098 40 0 JKABRN S=C(NCc1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000016401532 556138350 /nfs/dbraw/zinc/13/83/50/556138350.db2.gz JQLZZKHJSGXFRU-UHFFFAOYSA-N 0 0 475.470 5.967 40 0 JKABRN O=Cc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000016401679 556138384 /nfs/dbraw/zinc/13/83/84/556138384.db2.gz POWVSINAIFTJHP-UHFFFAOYSA-N 0 0 495.936 5.208 40 0 JKABRN O=C(NCc1ccc(Cl)cc1)NC[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(Cl)cc2)C1 ZINC000016401500 556138402 /nfs/dbraw/zinc/13/84/02/556138402.db2.gz SJVPPZPQXUAIHW-WOJBJXKFSA-N 0 0 477.436 5.098 40 0 JKABRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CCC(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000024605421 556138519 /nfs/dbraw/zinc/13/85/19/556138519.db2.gz RAEHYLMWJRGEGE-UHFFFAOYSA-N 0 0 495.531 5.512 40 0 JKABRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(Cl)cc1 ZINC000016428237 556138671 /nfs/dbraw/zinc/13/86/71/556138671.db2.gz MQCUCDLOKNPOCC-UUASQNMZSA-N 0 0 486.720 5.230 40 0 JKABRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)SC1=S ZINC000016408019 556138706 /nfs/dbraw/zinc/13/87/06/556138706.db2.gz WLDCIGDLPYLAPG-BKUYFWCQSA-N 0 0 482.627 5.025 40 0 JKABRN O=C(Nc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1)c1cc(Br)ccc1Cl ZINC000016429330 556138862 /nfs/dbraw/zinc/13/88/62/556138862.db2.gz ZZYRUQZCACAZQX-UHFFFAOYSA-N 0 0 461.146 6.552 40 0 JKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000016431219 556138878 /nfs/dbraw/zinc/13/88/78/556138878.db2.gz KUEHWQAQCJWNBE-UHFFFAOYSA-N 0 0 482.801 6.643 40 0 JKABRN Clc1ccc2c(c1)c1cc(Cl)ccc1n2Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000016431163 556138882 /nfs/dbraw/zinc/13/88/82/556138882.db2.gz GHMNOZORWVQYFA-UHFFFAOYSA-N 0 0 484.213 9.022 40 0 JKABRN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000016430053 556138911 /nfs/dbraw/zinc/13/89/11/556138911.db2.gz ZBGLUJAORGHWAP-VMPITWQZSA-N 0 0 458.326 5.921 40 0 JKABRN CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000016440755 556139175 /nfs/dbraw/zinc/13/91/75/556139175.db2.gz UNKVSSQASKBYES-KQWNVCNZSA-N 0 0 473.554 5.185 40 0 JKABRN COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000016439394 556139186 /nfs/dbraw/zinc/13/91/86/556139186.db2.gz XGQRNUCJGCNGMY-CPNJWEJPSA-N 0 0 463.331 5.582 40 0 JKABRN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000016431607 556139196 /nfs/dbraw/zinc/13/91/96/556139196.db2.gz SRZNNBCTXUDAHI-UHFFFAOYSA-N 0 0 484.726 7.362 40 0 JKABRN CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OCC ZINC000016439537 556139218 /nfs/dbraw/zinc/13/92/18/556139218.db2.gz DJQLTLNOPALKJA-MDWZMJQESA-N 0 0 484.177 6.099 40 0 JKABRN CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)o2)cc1 ZINC000016439548 556139252 /nfs/dbraw/zinc/13/92/52/556139252.db2.gz ZWPDXHCAOFHYKS-FOWTUZBSSA-N 0 0 455.297 5.976 40 0 JKABRN COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000016439554 556139262 /nfs/dbraw/zinc/13/92/62/556139262.db2.gz BXZLVEQGVQPGRZ-FMIVXFBMSA-N 0 0 458.257 5.716 40 0 JKABRN O=C(NCc1ccccc1Cl)NC[C@H]1CCC[C@H](CNC(=O)NCc2ccccc2Cl)C1 ZINC000016449591 556139410 /nfs/dbraw/zinc/13/94/10/556139410.db2.gz RGVUGXYPCUPQHI-ROUUACIJSA-N 0 0 477.436 5.098 40 0 JKABRN Brc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c(C2OCCO2)c1 ZINC000016477630 556139980 /nfs/dbraw/zinc/13/99/80/556139980.db2.gz IONBEWLKWSJGRD-UHFFFAOYSA-N 0 0 487.393 6.865 40 0 JKABRN c1ccc([C@H](c2nnnn2-c2ccccc2)C2N(c3ccccc3)CCN2c2ccccc2)cc1 ZINC000016477847 556139999 /nfs/dbraw/zinc/13/99/99/556139999.db2.gz LOTLGQJQOZYINX-HHHXNRCGSA-N 0 0 458.569 5.147 40 0 JKABRN O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1cccc(I)c1 ZINC000016477193 556140022 /nfs/dbraw/zinc/14/00/22/556140022.db2.gz MODHKATYPANTEL-FQEVSTJZSA-N 0 0 476.697 5.726 40 0 JKABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016479169 556140347 /nfs/dbraw/zinc/14/03/47/556140347.db2.gz VOFSXJPBCXACAZ-UHFFFAOYSA-N 0 0 496.938 5.231 40 0 JKABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016479567 556140348 /nfs/dbraw/zinc/14/03/48/556140348.db2.gz LKNZVSFIPFRDFE-UHFFFAOYSA-N 0 0 482.911 5.188 40 0 JKABRN O=C1OC(c2cccc(I)c2)=N/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000016480663 556140362 /nfs/dbraw/zinc/14/03/62/556140362.db2.gz UOWVQOYFTKDWGX-FYJGNVAPSA-N 0 0 481.289 5.215 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(N(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000016487840 556140661 /nfs/dbraw/zinc/14/06/61/556140661.db2.gz SQEIWCRCVWXSSH-UHFFFAOYSA-N 0 0 491.378 8.008 40 0 JKABRN O=C(c1noc(-c2cccs2)c1S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000016491563 556140863 /nfs/dbraw/zinc/14/08/63/556140863.db2.gz YUPLICGXSRSVDC-UHFFFAOYSA-N 0 0 474.357 5.229 40 0 JKABRN O=C(COc1ccccc1)Nc1ccc(OC(=O)COc2ccccc2)c(-c2nc3ccccc3o2)c1 ZINC000016490683 556140903 /nfs/dbraw/zinc/14/09/03/556140903.db2.gz VLMMXETVOBLBKF-UHFFFAOYSA-N 0 0 494.503 5.497 40 0 JKABRN O=C(Nc1ccccc1)c1nnc2c(Br)c(-c3ccccc3)nn2c1-c1ccccc1 ZINC000016491836 556140937 /nfs/dbraw/zinc/14/09/37/556140937.db2.gz XEDRLODHHQMBQZ-UHFFFAOYSA-N 0 0 470.330 5.473 40 0 JKABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000016490855 556140986 /nfs/dbraw/zinc/14/09/86/556140986.db2.gz VHQVUXXOXDPBIM-UHFFFAOYSA-N 0 0 464.587 5.441 40 0 JKABRN Clc1ccc2nc(N3N=C(c4ccco4)C[C@@H]3c3ccccc3Cl)nc(-c3ccccc3)c2c1 ZINC000016492465 556141275 /nfs/dbraw/zinc/14/12/75/556141275.db2.gz VBNMYBMGFCPAPB-XMMPIXPASA-N 0 0 485.374 7.552 40 0 JKABRN O=C(CSc1nc2c(c(-c3cccs3)n1)CCCC2)n1c2ccccc2c2ccccc21 ZINC000016525553 556142067 /nfs/dbraw/zinc/14/20/67/556142067.db2.gz XCXJRYZAEUTHBW-UHFFFAOYSA-N 0 0 455.608 6.624 40 0 JKABRN O=C(NCC1CCN(C(=O)Nc2cccc3ccccc32)CC1)Nc1cccc2ccccc21 ZINC000016544952 556142682 /nfs/dbraw/zinc/14/26/82/556142682.db2.gz GBLVRICQTVXTMR-UHFFFAOYSA-N 0 0 452.558 6.059 40 0 JKABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2cccc3ccccc32)C1)Nc1cccc2ccccc21 ZINC000016544944 556142687 /nfs/dbraw/zinc/14/26/87/556142687.db2.gz YYOPKGFDJRELPV-FGZHOGPDSA-N 0 0 480.612 6.743 40 0 JKABRN O=C(Nc1cccc2ccccc21)N[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc2ccccc21 ZINC000016544940 556142703 /nfs/dbraw/zinc/14/27/03/556142703.db2.gz BZRKNFXSKFQTGQ-CLJLJLNGSA-N 0 0 452.558 6.247 40 0 JKABRN O=C(Nc1ccc(NC(=O)Nc2cccc3ccccc32)c(Cl)c1)Nc1cccc2ccccc21 ZINC000016544976 556142781 /nfs/dbraw/zinc/14/27/81/556142781.db2.gz XCHMKVXLOZTUPE-UHFFFAOYSA-N 0 0 480.955 7.934 40 0 JKABRN O=C(Nc1cccc2ccccc21)Nc1cccc2c(NC(=O)Nc3cccc4ccccc43)cccc12 ZINC000016544995 556142785 /nfs/dbraw/zinc/14/27/85/556142785.db2.gz IHGXWQSTMRPCQY-UHFFFAOYSA-N 0 0 496.570 8.434 40 0 JKABRN S=c1oc2ccccc2n1CSc1nnc(SCn2c(=S)oc3ccccc32)s1 ZINC000016545137 556142791 /nfs/dbraw/zinc/14/27/91/556142791.db2.gz WDTXPNPAQJTHCE-UHFFFAOYSA-N 0 0 476.655 6.592 40 0 JKABRN O=C(NCc1cccc(CNC(=O)Nc2cccc3ccccc32)c1)Nc1cccc2ccccc21 ZINC000016544965 556142817 /nfs/dbraw/zinc/14/28/17/556142817.db2.gz ZJBDJOPYPTZVAR-UHFFFAOYSA-N 0 0 474.564 6.636 40 0 JKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1c(F)c(F)c(F)c(F)c1F ZINC000016545486 556143047 /nfs/dbraw/zinc/14/30/47/556143047.db2.gz DBSZBFGRNWYJFT-UHFFFAOYSA-N 0 0 454.807 6.565 40 0 JKABRN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000016545301 556143135 /nfs/dbraw/zinc/14/31/35/556143135.db2.gz IBMBQVWAZWZFBC-UHFFFAOYSA-N 0 0 480.033 6.568 40 0 JKABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2nc3ccccc3s2)C1)Nc1nc2ccccc2s1 ZINC000016545439 556143142 /nfs/dbraw/zinc/14/31/42/556143142.db2.gz PSYLYPMJSGKUMK-HOTGVXAUSA-N 0 0 494.646 5.656 40 0 JKABRN C[C@H](CCc1ccccc1)NC(=O)CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000016576361 556145170 /nfs/dbraw/zinc/14/51/70/556145170.db2.gz UBEFUEIXHPFUAS-GOSISDBHSA-N 0 0 462.018 6.180 40 0 JKABRN C[C@H](Nc1nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc2ccccc21)c1ccccc1 ZINC000016576957 556145232 /nfs/dbraw/zinc/14/52/32/556145232.db2.gz LJSSMVSAPKQHSO-IBGZPJMESA-N 0 0 471.992 5.419 40 0 JKABRN C[C@@H](Nc1nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc2ccccc21)c1ccccc1 ZINC000016576954 556145245 /nfs/dbraw/zinc/14/52/45/556145245.db2.gz LJSSMVSAPKQHSO-LJQANCHMSA-N 0 0 471.992 5.419 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(O[C@@H](C)CC)c4)ccc3o2)cc1 ZINC000016610456 556146103 /nfs/dbraw/zinc/14/61/03/556146103.db2.gz RRYVRSFNHFEUKC-KRWDZBQOSA-N 0 0 489.597 6.198 40 0 JKABRN CC[C@@H](C)c1ccc(NC(=O)NC[C@H]2CCC[C@@H](CNC(=O)Nc3ccc([C@@H](C)CC)cc3)C2)cc1 ZINC000016610511 556146123 /nfs/dbraw/zinc/14/61/23/556146123.db2.gz PSNUTZZEFQNGOL-NVPYSNMXSA-N 0 0 492.708 7.463 40 0 JKABRN CCC(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 ZINC000016609823 556146171 /nfs/dbraw/zinc/14/61/71/556146171.db2.gz LASHOAMVNFSOOT-UHFFFAOYSA-N 0 0 454.349 5.634 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000016610674 556146370 /nfs/dbraw/zinc/14/63/70/556146370.db2.gz JPFYCZAUAXWCCW-YHVDPYDOSA-N 0 0 465.380 7.967 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000016610672 556146401 /nfs/dbraw/zinc/14/64/01/556146401.db2.gz JPFYCZAUAXWCCW-ONOODXEBSA-N 0 0 465.380 7.967 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cc(C)ccc4C(C)C)c3)nc2c1 ZINC000016610696 556146422 /nfs/dbraw/zinc/14/64/22/556146422.db2.gz ZEUDJSDPZSYCOU-HXUWFJFHSA-N 0 0 456.586 7.458 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)cc3)nc2c1 ZINC000016610651 556146453 /nfs/dbraw/zinc/14/64/53/556146453.db2.gz OIUMQLYQSSSGOT-INIZCTEOSA-N 0 0 471.948 6.495 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)c3)nc2c1 ZINC000016610762 556146650 /nfs/dbraw/zinc/14/66/50/556146650.db2.gz QEQHFWNZLNNPOJ-CQSZACIVSA-N 0 0 469.368 7.576 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)c3)nc2c1 ZINC000016610764 556146661 /nfs/dbraw/zinc/14/66/61/556146661.db2.gz QEQHFWNZLNNPOJ-AWEZNQCLSA-N 0 0 469.368 7.576 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nc2c1 ZINC000016610713 556146689 /nfs/dbraw/zinc/14/66/89/556146689.db2.gz AYHXGJLENMLUMY-IBGZPJMESA-N 0 0 456.586 7.323 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc(Br)ccc4OC)c3)nc2c1 ZINC000016610774 556146743 /nfs/dbraw/zinc/14/67/43/556146743.db2.gz XDWAJYWJOUORMS-HNNXBMFYSA-N 0 0 479.374 7.032 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)c3)nc2c1 ZINC000016610923 556146919 /nfs/dbraw/zinc/14/69/19/556146919.db2.gz XGXDUCQHRHZWMF-PRDNPTHXSA-N 0 0 497.664 7.658 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4I)c3)nc2c1 ZINC000016610919 556146924 /nfs/dbraw/zinc/14/69/24/556146924.db2.gz MRZWTGZIRZPOHA-HNNXBMFYSA-N 0 0 496.348 6.865 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4ccccc4)c3)nc2c1 ZINC000016610934 556146929 /nfs/dbraw/zinc/14/69/29/556146929.db2.gz JTIXLRSVJFKVEZ-NKAIQICCSA-N 0 0 455.583 6.535 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc(C)cc4C)c3)nc2c1 ZINC000016611001 556147222 /nfs/dbraw/zinc/14/72/22/556147222.db2.gz HZCRRTGOOHICHE-GOSISDBHSA-N 0 0 487.625 6.517 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1 ZINC000016611035 556147225 /nfs/dbraw/zinc/14/72/25/556147225.db2.gz KBVLOGFSAUBLCJ-INIZCTEOSA-N 0 0 478.017 6.717 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc5ccccc5o4)c3)nc2c1 ZINC000016611069 556147241 /nfs/dbraw/zinc/14/72/41/556147241.db2.gz OAEULJJTRTXYKM-INIZCTEOSA-N 0 0 469.566 6.881 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)c3)nc2c1 ZINC000016611091 556147244 /nfs/dbraw/zinc/14/72/44/556147244.db2.gz UOFKTWWIDBJXPP-HNNXBMFYSA-N 0 0 494.016 6.797 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc(C)cc4C)c3)nc2c1 ZINC000016611003 556147267 /nfs/dbraw/zinc/14/72/67/556147267.db2.gz HZCRRTGOOHICHE-SFHVURJKSA-N 0 0 487.625 6.517 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4C)c3)nc2c1 ZINC000016611022 556147270 /nfs/dbraw/zinc/14/72/70/556147270.db2.gz YCDZOQWRBUUXMO-KRWDZBQOSA-N 0 0 473.598 6.209 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 ZINC000016611122 556147417 /nfs/dbraw/zinc/14/74/17/556147417.db2.gz RGGLQKBFJUMFCO-GOSISDBHSA-N 0 0 471.626 7.259 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)cc4)c3)nc2c1 ZINC000016611138 556147429 /nfs/dbraw/zinc/14/74/29/556147429.db2.gz PWJMBXNDMJSTOV-INIZCTEOSA-N 0 0 459.571 6.144 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)c3)nc2c1 ZINC000016611142 556147490 /nfs/dbraw/zinc/14/74/90/556147490.db2.gz YJJBHWJGWNFRFP-SFHVURJKSA-N 0 0 487.625 6.922 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(Cl)c4Cl)c3)nc2c1 ZINC000016611232 556147785 /nfs/dbraw/zinc/14/77/85/556147785.db2.gz RQKJEVBWRKQWHA-CQSZACIVSA-N 0 0 498.435 7.442 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 ZINC000016611217 556147810 /nfs/dbraw/zinc/14/78/10/556147810.db2.gz PWEZGWPHUIBBCG-QGZVFWFLSA-N 0 0 473.598 6.534 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000016637154 556148956 /nfs/dbraw/zinc/14/89/56/556148956.db2.gz XBQVQLBIPCLKIH-UHFFFAOYSA-N 0 0 476.385 6.119 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc3ccccc3cc2OC)c1 ZINC000016637118 556148961 /nfs/dbraw/zinc/14/89/61/556148961.db2.gz LDYCEGWWJBVHOT-UHFFFAOYSA-N 0 0 455.967 5.367 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OCC)cc4)nc3c2)c1 ZINC000016639341 556149327 /nfs/dbraw/zinc/14/93/27/556149327.db2.gz WYULAYLXXLZRCY-UHFFFAOYSA-N 0 0 489.597 6.199 40 0 JKABRN C=CC(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCC)cc2)cc1 ZINC000016638300 556149370 /nfs/dbraw/zinc/14/93/70/556149370.db2.gz VXCYVCUKVGUJMW-UHFFFAOYSA-N 0 0 468.590 6.533 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OCC)cc4)nc3c2)cc1 ZINC000016678254 556150296 /nfs/dbraw/zinc/15/02/96/556150296.db2.gz XHGFXGLIOJLSEF-UHFFFAOYSA-N 0 0 475.570 5.809 40 0 JKABRN CCN1c2ccccc2Sc2cc(/C=C/[C@]34NC(=O)CN3c3ccccc3C4(C)C)ccc21 ZINC000016681650 556151055 /nfs/dbraw/zinc/15/10/55/556151055.db2.gz IXMRGWIHLPNKKY-MJAMSPNLSA-N 0 0 453.611 5.946 40 0 JKABRN CCOC(=O)C1=NN(c2ccccc2)[C@]2(OC(c3ccccc3)(c3ccccc3)c3ccccc32)S1 ZINC000016682622 556151418 /nfs/dbraw/zinc/15/14/18/556151418.db2.gz KJCDZFWSYKBGFG-SSEXGKCCSA-N 0 0 492.600 6.249 40 0 JKABRN CCOC(=O)c1c2c(sc1NC(=O)/C=C/c1ccc(-c3ccc(C)c(Cl)c3)o1)CCCC2 ZINC000016683080 556151422 /nfs/dbraw/zinc/15/14/22/556151422.db2.gz NLKYMKBYRCXOCH-ACCUITESSA-N 0 0 469.990 6.677 40 0 JKABRN CCOC(=O)c1c2cc(OCC3N=NC(=S)N3c3ccccc3)ccc2oc1-c1ccccc1 ZINC000016687739 556151446 /nfs/dbraw/zinc/15/14/46/556151446.db2.gz DFLQKFADKDGFKK-UHFFFAOYSA-N 0 0 471.538 5.725 40 0 JKABRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016688143 556151872 /nfs/dbraw/zinc/15/18/72/556151872.db2.gz QZJMLHDUDGHRAQ-UHFFFAOYSA-N 0 0 454.354 5.271 40 0 JKABRN CCOc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688584 556152007 /nfs/dbraw/zinc/15/20/07/556152007.db2.gz NVRDKHMREJKSLA-UHFFFAOYSA-N 0 0 494.802 6.613 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4C)ccc3o2)cc1 ZINC000016691967 556153061 /nfs/dbraw/zinc/15/30/61/556153061.db2.gz QUGYPUFHDMHTHV-UHFFFAOYSA-N 0 0 461.543 5.094 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)cc1 ZINC000016692041 556153449 /nfs/dbraw/zinc/15/34/49/556153449.db2.gz GBVHSDPIJTXHPU-UHFFFAOYSA-N 0 0 451.935 5.674 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)cc1 ZINC000016692017 556153465 /nfs/dbraw/zinc/15/34/65/556153465.db2.gz AKSCBXTVTSXXMX-UHFFFAOYSA-N 0 0 475.570 5.808 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000016692029 556153493 /nfs/dbraw/zinc/15/34/93/556153493.db2.gz AFRORLOCGUROOE-UHFFFAOYSA-N 0 0 486.380 6.327 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1Br ZINC000016692149 556153706 /nfs/dbraw/zinc/15/37/06/556153706.db2.gz QMPXEYBQMRTSAT-UHFFFAOYSA-N 0 0 484.828 5.546 40 0 JKABRN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl ZINC000016692393 556153745 /nfs/dbraw/zinc/15/37/45/556153745.db2.gz TVMAYNRWQYJFRZ-UHFFFAOYSA-N 0 0 450.966 6.541 40 0 JKABRN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cc(Cl)ccc4Cl)c23)cc1 ZINC000016713336 556154333 /nfs/dbraw/zinc/15/43/33/556154333.db2.gz BJMCUSFJVSZYAW-UHFFFAOYSA-N 0 0 460.411 6.704 40 0 JKABRN COc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1OC ZINC000016713352 556154403 /nfs/dbraw/zinc/15/44/03/556154403.db2.gz RCTSUDAWRCPJDL-UHFFFAOYSA-N 0 0 471.991 5.760 40 0 JKABRN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)cc1C ZINC000016712861 556154410 /nfs/dbraw/zinc/15/44/10/556154410.db2.gz QKBHWWKQXDUESH-UHFFFAOYSA-N 0 0 474.486 7.167 40 0 JKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000016739504 556156153 /nfs/dbraw/zinc/15/61/53/556156153.db2.gz YAMBGQCUDNVNRE-UHFFFAOYSA-N 0 0 470.359 7.523 40 0 JKABRN Clc1ccccc1[C@@H]1CC(c2ccc(I)cc2)=NN1c1ccccc1 ZINC000016740860 556156456 /nfs/dbraw/zinc/15/64/56/556156456.db2.gz JOXOTCOULDKIDC-NRFANRHFSA-N 0 0 458.730 6.300 40 0 JKABRN CCOC(=O)c1c2c(sc1NC(=O)[C@@]13CC[C@@](C)(c4nc5ccccc5nc41)C3(C)C)CCCC2 ZINC000016739527 556156577 /nfs/dbraw/zinc/15/65/77/556156577.db2.gz FCICFHPJLBJUAP-WUFINQPMSA-N 0 0 489.641 5.715 40 0 JKABRN CCOC(=O)C[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000016757524 556157766 /nfs/dbraw/zinc/15/77/66/556157766.db2.gz LUEIXVQSUXIXDM-JOCHJYFZSA-N 0 0 475.614 6.310 40 0 JKABRN O=C(CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)OCc1ccccc1 ZINC000016757637 556157773 /nfs/dbraw/zinc/15/77/73/556157773.db2.gz AJKRXNUBYSECFN-UHFFFAOYSA-N 0 0 451.551 5.923 40 0 JKABRN Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757981 556158093 /nfs/dbraw/zinc/15/80/93/556158093.db2.gz YYXJCOWTNSLBCT-UHFFFAOYSA-N 0 0 486.438 7.451 40 0 JKABRN COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757947 556158098 /nfs/dbraw/zinc/15/80/98/556158098.db2.gz FMTSVVRKUALFFY-CQSZACIVSA-N 0 0 468.376 5.504 40 0 JKABRN CC(=O)C[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758011 556158120 /nfs/dbraw/zinc/15/81/20/556158120.db2.gz VCFCDKMIIAKVOX-INIZCTEOSA-N 0 0 466.404 6.310 40 0 JKABRN CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1)C(=O)OC ZINC000016758047 556158427 /nfs/dbraw/zinc/15/84/27/556158427.db2.gz KUJRNQHSLRKJDU-HXUWFJFHSA-N 0 0 451.979 6.093 40 0 JKABRN CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758058 556158432 /nfs/dbraw/zinc/15/84/32/556158432.db2.gz MQJXYFYMQIZUPU-OAQYLSRUSA-N 0 0 466.006 6.483 40 0 JKABRN OCCN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000016768346 556158479 /nfs/dbraw/zinc/15/84/79/556158479.db2.gz XKXMMRIURWMDGX-UHFFFAOYSA-N 0 0 488.513 6.105 40 0 JKABRN CCc1cccc(C)c1N(C(=O)Cn1c2ccccc2nc1[C@H](O)c1ccccc1)[C@H](C)COC ZINC000016776814 556158789 /nfs/dbraw/zinc/15/87/89/556158789.db2.gz JTMGAQXFWYWKDQ-LYZGTLIUSA-N 0 0 471.601 5.057 40 0 JKABRN CCc1cccc(C)c1N(C(=O)Cn1c2ccccc2nc1[C@@H](O)c1ccccc1)[C@@H](C)COC ZINC000016776808 556158813 /nfs/dbraw/zinc/15/88/13/556158813.db2.gz JTMGAQXFWYWKDQ-KMRXNPHXSA-N 0 0 471.601 5.057 40 0 JKABRN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3CCCOc3c(C)cccc3C)CC2=O)c1 ZINC000016776831 556158822 /nfs/dbraw/zinc/15/88/22/556158822.db2.gz MWTCPXYOCRMHCT-JOCHJYFZSA-N 0 0 499.611 5.660 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2cc3c(cc2C)n(-c2ccc(C)cc2)c(C)c3C(C)=O)cc1 ZINC000016779590 556159084 /nfs/dbraw/zinc/15/90/84/556159084.db2.gz VFEBOAKKCFZKKE-UHFFFAOYSA-N 0 0 462.571 5.568 40 0 JKABRN O=C(Nc1nccs1)[C@@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1nccs1 ZINC000016778577 556159090 /nfs/dbraw/zinc/15/90/90/556159090.db2.gz POUUNVZHAQGZPK-COPRSSIGSA-N 0 0 486.622 5.547 40 0 JKABRN O=c1nc2n(c3sc4c(c31)CCCC4)[C@H](c1ccccc1)[C@@H](Sc1ccccc1)CS2 ZINC000016779160 556159121 /nfs/dbraw/zinc/15/91/21/556159121.db2.gz YFWOPFLPBSMLDU-RBBKRZOGSA-N 0 0 462.665 6.193 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000016779576 556159145 /nfs/dbraw/zinc/15/91/45/556159145.db2.gz KRESNVHMRHFJRG-UHFFFAOYSA-N 0 0 482.989 5.878 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccc(Cl)cc1)cc2C ZINC000016779630 556159529 /nfs/dbraw/zinc/15/95/29/556159529.db2.gz SNZZAABHABLKRL-UHFFFAOYSA-N 0 0 497.016 6.187 40 0 JKABRN Cn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000016788676 556159561 /nfs/dbraw/zinc/15/95/61/556159561.db2.gz XTJBKBKYEROMTQ-UHFFFAOYSA-N 0 0 460.403 5.251 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccccc2)cc1 ZINC000016788740 556159700 /nfs/dbraw/zinc/15/97/00/556159700.db2.gz PVGDQCFMLDVTPC-UHFFFAOYSA-N 0 0 458.587 5.681 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc43)n2Cc2ccco2)cc1 ZINC000016788775 556159715 /nfs/dbraw/zinc/15/97/15/556159715.db2.gz RSSUSSWCEVBLBV-UHFFFAOYSA-N 0 0 454.555 5.779 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)n2C)cc1 ZINC000016788744 556159724 /nfs/dbraw/zinc/15/97/24/556159724.db2.gz AMHHGIVZSNUPRB-UHFFFAOYSA-N 0 0 485.638 6.106 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2-c2ccc(Cl)cc2)cc1 ZINC000016788825 556159746 /nfs/dbraw/zinc/15/97/46/556159746.db2.gz ZUZOIUMOQGMHEQ-UHFFFAOYSA-N 0 0 463.006 6.244 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2-c2ccc(C)cc2)cc1 ZINC000016788789 556159763 /nfs/dbraw/zinc/15/97/63/556159763.db2.gz BGMYYKAWANDGQE-UHFFFAOYSA-N 0 0 450.514 5.560 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000016788916 556159989 /nfs/dbraw/zinc/15/99/89/556159989.db2.gz QBRYRDYBGBWATG-UHFFFAOYSA-N 0 0 493.032 6.451 40 0 JKABRN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788957 556160011 /nfs/dbraw/zinc/16/00/11/556160011.db2.gz UBMHZQYFESAFHY-UHFFFAOYSA-N 0 0 492.004 5.585 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccc(OC)cc2)cc1 ZINC000016789063 556160208 /nfs/dbraw/zinc/16/02/08/556160208.db2.gz RBCSYYQDXXADQZ-UHFFFAOYSA-N 0 0 492.576 5.520 40 0 JKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)Nc1c(Cl)cccc1Cl ZINC000016789209 556160519 /nfs/dbraw/zinc/16/05/19/556160519.db2.gz UUYOPBYHVKWEDV-UHFFFAOYSA-N 0 0 493.803 6.277 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)c3ccc4ccccc4c3)nnc2-c2cccc(Cl)c2)cc1 ZINC000016789221 556160555 /nfs/dbraw/zinc/16/05/55/556160555.db2.gz XXTYDFLBZJNIEJ-UHFFFAOYSA-N 0 0 469.997 7.024 40 0 JKABRN COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 ZINC000016789314 556160804 /nfs/dbraw/zinc/16/08/04/556160804.db2.gz UIXTVZCEWSPKJP-UHFFFAOYSA-N 0 0 474.586 5.203 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2Cc2ccco2)cc1 ZINC000016789374 556160878 /nfs/dbraw/zinc/16/08/78/556160878.db2.gz GOKGRIZBUVOHQI-UHFFFAOYSA-N 0 0 453.951 5.435 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-c2ccc(C)cc2)cc1 ZINC000016789399 556161017 /nfs/dbraw/zinc/16/10/17/556161017.db2.gz HIJBMVJNDJVJTP-UHFFFAOYSA-N 0 0 472.614 5.811 40 0 JKABRN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000016789470 556161025 /nfs/dbraw/zinc/16/10/25/556161025.db2.gz XBJLTIQBAPQCEI-UHFFFAOYSA-N 0 0 456.358 5.367 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nnc2-c2ccccn2)cc1 ZINC000016789487 556161034 /nfs/dbraw/zinc/16/10/34/556161034.db2.gz AFTCAHDGKJNQBP-UHFFFAOYSA-N 0 0 453.930 5.161 40 0 JKABRN O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000016789513 556161071 /nfs/dbraw/zinc/16/10/71/556161071.db2.gz XKHSUUDAVKCULF-UHFFFAOYSA-N 0 0 456.958 6.111 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccc(C)cc2)cc1 ZINC000016789397 556161074 /nfs/dbraw/zinc/16/10/74/556161074.db2.gz VDSPVEGMVHEFBL-UHFFFAOYSA-N 0 0 472.614 5.811 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1F ZINC000016789497 556161078 /nfs/dbraw/zinc/16/10/78/556161078.db2.gz KSZPGVNCOGEVHU-UHFFFAOYSA-N 0 0 453.930 5.161 40 0 JKABRN CCc1cccc(C)c1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000016805115 556161401 /nfs/dbraw/zinc/16/14/01/556161401.db2.gz IKNDIKJLCFWVOP-UHFFFAOYSA-N 0 0 454.020 6.613 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccccc1)cc2C ZINC000016807671 556162371 /nfs/dbraw/zinc/16/23/71/556162371.db2.gz ZGEPFOUDABGSHB-UHFFFAOYSA-N 0 0 462.571 5.533 40 0 JKABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 ZINC000016807912 556162667 /nfs/dbraw/zinc/16/26/67/556162667.db2.gz ATRIGLTWFFYGPY-UHFFFAOYSA-N 0 0 484.669 6.833 40 0 JKABRN COc1ccc(OCCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000016902486 556173276 /nfs/dbraw/zinc/17/32/76/556173276.db2.gz XMUWFSVDPBALAN-OAQYLSRUSA-N 0 0 485.584 5.433 40 0 JKABRN CC(C)OP(=O)(OC(C)C)[C@H]1[C@@H](P(=O)(OC(C)C)OC(C)C)C(F)(F)C1(F)F ZINC000016924554 556180658 /nfs/dbraw/zinc/18/06/58/556180658.db2.gz DCVQYHOSTJVUGT-OKILXGFUSA-N 0 0 456.350 6.094 40 0 JKABRN C[C@@H](COc1cc(Cl)c(Cl)cc1Cl)OC(=O)COc1ccc(Cl)cc1Cl ZINC000016968792 556192148 /nfs/dbraw/zinc/19/21/48/556192148.db2.gz ZDOHXWQZXXNHNQ-VIFPVBQESA-N 0 0 458.552 6.343 40 0 JKABRN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000013014782 556206248 /nfs/dbraw/zinc/20/62/48/556206248.db2.gz UXWDHXJPWLTRDR-AVJWUUPLSA-N 0 0 458.558 5.556 40 0 JKABRN Cc1ccccc1CCN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013024922 556215151 /nfs/dbraw/zinc/21/51/51/556215151.db2.gz MKWUBOIZGNWIMR-RUZDIDTESA-N 0 0 464.993 5.726 40 0 JKABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013024969 556215153 /nfs/dbraw/zinc/21/51/53/556215153.db2.gz ZAPWTIZVUHOSBG-HSZRJFAPSA-N 0 0 452.938 5.389 40 0 JKABRN Cc1ccc(C(=O)C[C@]2(O)c3cc(Br)ccc3N(Cc3ccccc3)C2=O)c(C)c1 ZINC000017083410 556215356 /nfs/dbraw/zinc/21/53/56/556215356.db2.gz RAFPWEQKDGNTIQ-VWLOTQADSA-N 0 0 464.359 5.073 40 0 JKABRN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccc2ccccc2c1 ZINC000017083419 556215397 /nfs/dbraw/zinc/21/53/97/556215397.db2.gz HBVBCNPMRVRKAR-MHZLTWQESA-N 0 0 486.365 5.610 40 0 JKABRN CCCOc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(OCCC)cc4)cc3s2)cc1 ZINC000017085807 556215763 /nfs/dbraw/zinc/21/57/63/556215763.db2.gz GHZGKHBBCTZKLB-UHFFFAOYSA-N 0 0 489.597 6.379 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C2CCCCC2)cc1 ZINC000013025366 556215804 /nfs/dbraw/zinc/21/58/04/556215804.db2.gz CIASVXIEMRLUDE-MHZLTWQESA-N 0 0 471.601 6.169 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1 ZINC000013025504 556216075 /nfs/dbraw/zinc/21/60/75/556216075.db2.gz SYVDDGFOYHVQLZ-AREMUKBSSA-N 0 0 474.557 5.328 40 0 JKABRN CCCCOc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)O2)cc1 ZINC000017086174 556216154 /nfs/dbraw/zinc/21/61/54/556216154.db2.gz WAPIQHIYAZAYLD-JJIBRWJFSA-N 0 0 475.928 6.083 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OCC)cc2)cc1 ZINC000013025514 556216163 /nfs/dbraw/zinc/21/61/63/556216163.db2.gz LEGNXSGVYNAKSF-AREMUKBSSA-N 0 0 476.573 5.524 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2OC)cc1 ZINC000013025539 556216321 /nfs/dbraw/zinc/21/63/21/556216321.db2.gz UJHDOKSRTPKRLB-VWLOTQADSA-N 0 0 462.546 5.134 40 0 JKABRN CC[C@@H](C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013025646 556216362 /nfs/dbraw/zinc/21/63/62/556216362.db2.gz YSRCABYLHXVCNG-KOSHJBKYSA-N 0 0 450.604 6.302 40 0 JKABRN COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)C(=O)O1 ZINC000017086208 556216422 /nfs/dbraw/zinc/21/64/22/556216422.db2.gz BSFYDQNGGMEKSJ-YBFXNURJSA-N 0 0 498.318 5.574 40 0 JKABRN O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000013025716 556216622 /nfs/dbraw/zinc/21/66/22/556216622.db2.gz VGINYOIHMNKPJR-JOCHJYFZSA-N 0 0 474.454 5.884 40 0 JKABRN CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccccc2OCc2ccccc2Cl)n2ncnc2N1 ZINC000017086338 556216663 /nfs/dbraw/zinc/21/66/63/556216663.db2.gz QZYOAIQWJCFASI-VWLOTQADSA-N 0 0 485.975 5.116 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)c2ccco2)c1 ZINC000013025817 556216936 /nfs/dbraw/zinc/21/69/36/556216936.db2.gz CDDDROKUWSEGCN-XMMPIXPASA-N 0 0 466.965 5.384 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)c1 ZINC000013025851 556216951 /nfs/dbraw/zinc/21/69/51/556216951.db2.gz ITUXMPUFDKGKIA-XMMPIXPASA-N 0 0 450.510 5.183 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2Cl)c1 ZINC000013025840 556216980 /nfs/dbraw/zinc/21/69/80/556216980.db2.gz QJVVNRHIPKZWDN-HSZRJFAPSA-N 0 0 452.938 5.389 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)c1OC ZINC000013025926 556217232 /nfs/dbraw/zinc/21/72/32/556217232.db2.gz NNOYWWUTIJBVOU-AREMUKBSSA-N 0 0 490.600 5.090 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2Cl)c1OC ZINC000013025961 556217261 /nfs/dbraw/zinc/21/72/61/556217261.db2.gz KOHCSRYJJKKQPE-HSZRJFAPSA-N 0 0 482.964 5.397 40 0 JKABRN S=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2-n2cccc2[C@H]1c1cccnc1 ZINC000017110363 556217274 /nfs/dbraw/zinc/21/72/74/556217274.db2.gz KWKLKCAIOREGCV-JOCHJYFZSA-N 0 0 451.382 6.486 40 0 JKABRN C[C@@H](CC(=O)c1ccccc1)C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 ZINC000017110541 556217299 /nfs/dbraw/zinc/21/72/99/556217299.db2.gz YZOLQTKVCMCPKT-QHCPKHFHSA-N 0 0 486.727 8.926 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)c1 ZINC000013026036 556217502 /nfs/dbraw/zinc/21/75/02/556217502.db2.gz ZYUUJWUQPHRQPL-VWLOTQADSA-N 0 0 492.572 5.142 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)c1OC ZINC000013025978 556217513 /nfs/dbraw/zinc/21/75/13/556217513.db2.gz ZMCODKRUOPJWAY-DEOSSOPVSA-N 0 0 480.536 5.191 40 0 JKABRN CCc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)cc1 ZINC000013026049 556217559 /nfs/dbraw/zinc/21/75/59/556217559.db2.gz WAELQSDFBXWIOD-RUZDIDTESA-N 0 0 476.573 5.306 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2C)c1OC ZINC000013026076 556217871 /nfs/dbraw/zinc/21/78/71/556217871.db2.gz VBZWZOOWLUASNU-VWLOTQADSA-N 0 0 476.573 5.361 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1OC ZINC000013026284 556218141 /nfs/dbraw/zinc/21/81/41/556218141.db2.gz KVXPUZUQRZPNHK-MHZLTWQESA-N 0 0 490.600 5.090 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(C)cc(C)c2)cc1OC ZINC000013026438 556218657 /nfs/dbraw/zinc/21/86/57/556218657.db2.gz HKBMTJKPAWVINT-SANMLTNESA-N 0 0 476.573 5.361 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(C)ccc2C)cc1OC ZINC000013026446 556218683 /nfs/dbraw/zinc/21/86/83/556218683.db2.gz UDDLMJQHQFTXOZ-SANMLTNESA-N 0 0 476.573 5.361 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(C)c2)cc1OC ZINC000013026440 556218708 /nfs/dbraw/zinc/21/87/08/556218708.db2.gz JKHPPUUEZBAKOJ-AREMUKBSSA-N 0 0 476.573 5.361 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1OC ZINC000013026452 556218759 /nfs/dbraw/zinc/21/87/59/556218759.db2.gz VCTMNWPCZBXMJI-RUZDIDTESA-N 0 0 462.546 5.052 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(Cl)ccc2OC)cc1 ZINC000013026599 556218940 /nfs/dbraw/zinc/21/89/40/556218940.db2.gz NBBFMFNIPUGDQG-DEOSSOPVSA-N 0 0 482.964 5.397 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(C)ccc2OC)cc1 ZINC000013026601 556218962 /nfs/dbraw/zinc/21/89/62/556218962.db2.gz ODNFDOVWLJHESS-RUZDIDTESA-N 0 0 462.546 5.052 40 0 JKABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)cc1OC ZINC000013026742 556219205 /nfs/dbraw/zinc/21/92/05/556219205.db2.gz XPFXHWXUXJGVRU-HHHXNRCGSA-N 0 0 490.600 5.867 40 0 JKABRN CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 ZINC000013026678 556219222 /nfs/dbraw/zinc/21/92/22/556219222.db2.gz NIKADCQFUDGMAC-DEOSSOPVSA-N 0 0 450.604 5.907 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000013026724 556219255 /nfs/dbraw/zinc/21/92/55/556219255.db2.gz FZFMEMFVMXQWTD-HHHXNRCGSA-N 0 0 487.600 5.808 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cc(C)cc2C)cc1 ZINC000013026642 556219262 /nfs/dbraw/zinc/21/92/62/556219262.db2.gz LGTZRTOWVCVDJJ-SANMLTNESA-N 0 0 460.574 5.660 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)cc1 ZINC000013026809 556219568 /nfs/dbraw/zinc/21/95/68/556219568.db2.gz LBXUZPNUJWQQSV-SANMLTNESA-N 0 0 458.558 5.492 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccc(O)cc1)N(C(=O)c1nsc(Cl)c1Cl)C1CCCC1 ZINC000013027122 556220138 /nfs/dbraw/zinc/22/01/38/556220138.db2.gz NXDJPHDJLNRGOK-HXUWFJFHSA-N 0 0 496.460 5.731 40 0 JKABRN C[C@H]1CCCCN1C(=O)CSc1nc(CCc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000013027862 556220995 /nfs/dbraw/zinc/22/09/95/556220995.db2.gz GEQMLHGHZOEKNA-SFHVURJKSA-N 0 0 465.688 5.848 40 0 JKABRN O=C(CSc1nc(CCc2ccccc2)nc2sc3c(c21)CCCC3)NCCc1ccccc1 ZINC000013027851 556221009 /nfs/dbraw/zinc/22/10/09/556221009.db2.gz RKSWNEKDKWVSCC-UHFFFAOYSA-N 0 0 487.694 5.806 40 0 JKABRN CC1CCN(C(=O)CSc2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000013027887 556221022 /nfs/dbraw/zinc/22/10/22/556221022.db2.gz QLSSGQHANPGAGZ-UHFFFAOYSA-N 0 0 465.688 5.706 40 0 JKABRN O=C(CSc1nc(CCc2ccccc2)nc2sc3c(c21)CCCC3)N1CCc2ccccc21 ZINC000013027854 556221048 /nfs/dbraw/zinc/22/10/48/556221048.db2.gz BUIVECFYGIIPOZ-UHFFFAOYSA-N 0 0 485.678 6.037 40 0 JKABRN O=C(c1ccccc1Cl)N1N=C(c2cccs2)C[C@H]1c1cc2ccccc2nc1Cl ZINC000013027675 556221091 /nfs/dbraw/zinc/22/10/91/556221091.db2.gz XVQJAUYPAFPPEJ-FQEVSTJZSA-N 0 0 452.366 6.595 40 0 JKABRN COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000025575432 556222468 /nfs/dbraw/zinc/22/24/68/556222468.db2.gz XUYWHPLJOIXBAC-RPWUZVMVSA-N 0 0 477.351 5.806 40 0 JKABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1 ZINC000013030173 556225102 /nfs/dbraw/zinc/22/51/02/556225102.db2.gz PIRRNCSMFMVDEM-MUUNZHRXSA-N 0 0 499.590 5.021 40 0 JKABRN Cc1cccc(C)c1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030164 556225114 /nfs/dbraw/zinc/22/51/14/556225114.db2.gz LAFJZCYFKFQSOK-NDEPHWFRSA-N 0 0 499.590 5.021 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013032076 556230236 /nfs/dbraw/zinc/23/02/36/556230236.db2.gz LZIBZHZJJOXROX-XMMPIXPASA-N 0 0 493.995 5.065 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013032073 556230274 /nfs/dbraw/zinc/23/02/74/556230274.db2.gz LZIBZHZJJOXROX-DEOSSOPVSA-N 0 0 493.995 5.065 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1Cl ZINC000013032082 556230290 /nfs/dbraw/zinc/23/02/90/556230290.db2.gz HETVHQCCSKASLW-XMMPIXPASA-N 0 0 493.995 5.065 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1C ZINC000013032213 556230874 /nfs/dbraw/zinc/23/08/74/556230874.db2.gz BZPWSNRWBSHAEX-SANMLTNESA-N 0 0 487.604 5.029 40 0 JKABRN c1ccc(COC[C@@H]2O[C@@H](c3ccccc3)C[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000017223929 556242880 /nfs/dbraw/zinc/24/28/80/556242880.db2.gz PWGCIYZSXZNVPZ-FYZVQMPESA-N 0 0 494.631 6.904 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCCCC1 ZINC000026115773 556246013 /nfs/dbraw/zinc/24/60/13/556246013.db2.gz UPQJGZBZLCYTMA-UHFFFAOYSA-N 0 0 482.627 5.628 40 0 JKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(SC)c(C(=O)N4CCCC4)c3)ccc21 ZINC000026115535 556246064 /nfs/dbraw/zinc/24/60/64/556246064.db2.gz HBHRDUUSMRGHFB-UHFFFAOYSA-N 0 0 493.654 5.573 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C(=O)N1CCCCC1 ZINC000026116612 556246609 /nfs/dbraw/zinc/24/66/09/556246609.db2.gz RJEUFPXARBHAJC-UHFFFAOYSA-N 0 0 459.420 5.142 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000026118386 556247668 /nfs/dbraw/zinc/24/76/68/556247668.db2.gz WCQBGHKOTKBBER-UHFFFAOYSA-N 0 0 473.447 5.388 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(=O)N1CCC(C)CC1 ZINC000026119083 556248236 /nfs/dbraw/zinc/24/82/36/556248236.db2.gz DRIHRBNHYBNHHO-UHFFFAOYSA-N 0 0 460.665 5.513 40 0 JKABRN Cc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)c1C ZINC000017253591 556248340 /nfs/dbraw/zinc/24/83/40/556248340.db2.gz PGQYUCVWQUYKGG-MYKUUNQBSA-N 0 0 454.614 6.618 40 0 JKABRN CSc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000026120798 556249082 /nfs/dbraw/zinc/24/90/82/556249082.db2.gz GVUJLNKHRZGGAU-UHFFFAOYSA-N 0 0 494.682 5.493 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCCCC1 ZINC000026120516 556249183 /nfs/dbraw/zinc/24/91/83/556249183.db2.gz RAVPQZDNYBUBRZ-UHFFFAOYSA-N 0 0 472.554 5.244 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C(=O)N1CCCCCC1 ZINC000026120583 556249206 /nfs/dbraw/zinc/24/92/06/556249206.db2.gz IQOURTREPNTONG-UHFFFAOYSA-N 0 0 473.447 5.532 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1C(=O)N1CCCCCC1 ZINC000026120639 556249225 /nfs/dbraw/zinc/24/92/25/556249225.db2.gz PRJSYOWPINOUFR-UHFFFAOYSA-N 0 0 462.637 5.013 40 0 JKABRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000026124139 556249491 /nfs/dbraw/zinc/24/94/91/556249491.db2.gz AJWBCHUKBCLALK-UHFFFAOYSA-N 0 0 467.287 6.379 40 0 JKABRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000026124142 556249731 /nfs/dbraw/zinc/24/97/31/556249731.db2.gz RRAOLVXFLPXSFN-UHFFFAOYSA-N 0 0 467.287 6.379 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000026124581 556249799 /nfs/dbraw/zinc/24/97/99/556249799.db2.gz MKCBPSAPKFFTMS-UHFFFAOYSA-N 0 0 497.769 7.201 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000026124423 556249839 /nfs/dbraw/zinc/24/98/39/556249839.db2.gz JUZUCPLYXFPZTM-UHFFFAOYSA-N 0 0 468.944 6.214 40 0 JKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000026124219 556249846 /nfs/dbraw/zinc/24/98/46/556249846.db2.gz FFTHAJCTNHWNEO-UHFFFAOYSA-N 0 0 473.330 6.004 40 0 JKABRN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000017289638 556251677 /nfs/dbraw/zinc/25/16/77/556251677.db2.gz NDCSLSQMEBPVPR-HSZRJFAPSA-N 0 0 457.615 5.141 40 0 JKABRN O[C@H](CCCCCCCC[C@H](O)CN1CCCc2ccccc21)CN1CCCc2ccccc21 ZINC000017301227 556253391 /nfs/dbraw/zinc/25/33/91/556253391.db2.gz XOXPFFAFFWPKJZ-HNRBIFIRSA-N 0 0 464.694 5.735 40 0 JKABRN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(COc3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 ZINC000026442023 556253797 /nfs/dbraw/zinc/25/37/97/556253797.db2.gz UAIVRQNQEXZLFY-OAQYLSRUSA-N 0 0 485.653 6.816 40 0 JKABRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCCOc1cccc(C)c1 ZINC000026593488 556257821 /nfs/dbraw/zinc/25/78/21/556257821.db2.gz KCPBTAIRPFWEJY-UYRXBGFRSA-N 0 0 464.008 6.224 40 0 JKABRN O=C1NC(=S)SC1=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000026607796 556258152 /nfs/dbraw/zinc/25/81/52/556258152.db2.gz VFRRFFZHMTUQEK-RZNTYIFUSA-N 0 0 465.210 7.208 40 0 JKABRN Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc2n1CCOc1ccc(C)cc1C ZINC000026675954 556258670 /nfs/dbraw/zinc/25/86/70/556258670.db2.gz QVUHXJMNLGGMDY-PKAZHMFMSA-N 0 0 479.605 5.416 40 0 JKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(Br)cc2)c2ccccc2)c1C ZINC000026770757 556260586 /nfs/dbraw/zinc/26/05/86/556260586.db2.gz OORIJVLJYDCFMO-DEOSSOPVSA-N 0 0 491.454 7.581 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063822 556261130 /nfs/dbraw/zinc/26/11/30/556261130.db2.gz ZTPBYGMCOMORNM-SANMLTNESA-N 0 0 470.621 5.134 40 0 JKABRN CC[C@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063821 556261244 /nfs/dbraw/zinc/26/12/44/556261244.db2.gz ZTPBYGMCOMORNM-AREMUKBSSA-N 0 0 470.621 5.134 40 0 JKABRN Cc1cccc(NC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC000026780167 556262121 /nfs/dbraw/zinc/26/21/21/556262121.db2.gz GTTXMMGDECRAGS-UHFFFAOYSA-N 0 0 499.036 6.084 40 0 JKABRN COc1ccccc1NS(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)Nc2ccccc2)c1 ZINC000026780169 556262166 /nfs/dbraw/zinc/26/21/66/556262166.db2.gz PXSGGCFWECCEHP-UHFFFAOYSA-N 0 0 480.590 5.130 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064848 556262792 /nfs/dbraw/zinc/26/27/92/556262792.db2.gz ZFJWQPXTSHODQF-RUZDIDTESA-N 0 0 462.642 5.533 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064801 556262801 /nfs/dbraw/zinc/26/28/01/556262801.db2.gz AYEQGGGNYWHQCZ-QHCPKHFHSA-N 0 0 450.631 5.172 40 0 JKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)N2CCC(Cc4ccccc4)CC2)n1)CC[C@@H](C)C3 ZINC000013065308 556263728 /nfs/dbraw/zinc/26/37/28/556263728.db2.gz PDPNBNUIKJWOLA-LJQANCHMSA-N 0 0 493.742 6.513 40 0 JKABRN C[C@@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@H](C(C)(C)C)C3 ZINC000013065324 556264043 /nfs/dbraw/zinc/26/40/43/556264043.db2.gz QUXZZBGMEDFFCX-WBVHZDCISA-N 0 0 457.709 6.213 40 0 JKABRN CC(C)(C)[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCCCCC4)c23)C1 ZINC000013065343 556264077 /nfs/dbraw/zinc/26/40/77/556264077.db2.gz GTOAYJKGQCVZCJ-KRWDZBQOSA-N 0 0 457.709 6.214 40 0 JKABRN CC[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000013065337 556264166 /nfs/dbraw/zinc/26/41/66/556264166.db2.gz HOOKQDJPIZGWKB-MSOLQXFVSA-N 0 0 471.736 6.603 40 0 JKABRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c(C(C)C)c1 ZINC000026844222 556264678 /nfs/dbraw/zinc/26/46/78/556264678.db2.gz SWGIVCFPUMRLCK-UHFFFAOYSA-N 0 0 463.087 6.221 40 0 JKABRN CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)c2ccccc21 ZINC000026892494 556265497 /nfs/dbraw/zinc/26/54/97/556265497.db2.gz USGKHYXJISAYPE-TYOAQRMGSA-N 0 0 467.581 5.885 40 0 JKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2C(=O)[C@@H]3C[C@@H](c4ccccc4)CC[C@@H]3C2=O)cc1 ZINC000017988813 556274359 /nfs/dbraw/zinc/27/43/59/556274359.db2.gz SGGUBRGRTLZBKL-WDJPJFJCSA-N 0 0 492.497 6.031 40 0 JKABRN Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2ON1c1ccccc1 ZINC000018008643 556275784 /nfs/dbraw/zinc/27/57/84/556275784.db2.gz JKWILGWXNXPJPA-FSSWDIPSSA-N 0 0 452.432 5.065 40 0 JKABRN COc1cccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018030284 556277937 /nfs/dbraw/zinc/27/79/37/556277937.db2.gz HYGAUVLNAWWTMG-URVUXULASA-N 0 0 469.324 5.053 40 0 JKABRN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000018037209 556278298 /nfs/dbraw/zinc/27/82/98/556278298.db2.gz PECAFILTICSZFF-KCTCVGQSSA-N 0 0 475.383 5.026 40 0 JKABRN COc1ccc(CN(Cc2ccco2)C(=O)c2cc3sccc3n2Cc2ccccc2)c(OC)c1 ZINC000013083067 556278775 /nfs/dbraw/zinc/27/87/75/556278775.db2.gz KPCZLXKUMSOFSS-UHFFFAOYSA-N 0 0 486.593 6.204 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12 ZINC000013084090 556281402 /nfs/dbraw/zinc/28/14/02/556281402.db2.gz CNXBYOKASDPTKN-UHFFFAOYSA-N 0 0 495.967 5.264 40 0 JKABRN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000018059297 556281508 /nfs/dbraw/zinc/28/15/08/556281508.db2.gz SSXSYFHMUMARMN-GWEVUABKSA-N 0 0 455.838 6.557 40 0 JKABRN O=C(CSc1nnc2n(Cc3ccc(Cl)cc3)c3ccccc3n12)N1CCc2ccccc2C1 ZINC000013084163 556281686 /nfs/dbraw/zinc/28/16/86/556281686.db2.gz REGZNUUWQRONMV-UHFFFAOYSA-N 0 0 488.016 5.063 40 0 JKABRN CC(=O)N1CCc2cc(-c3nc(NC(=O)c4sc5ccccc5c4Cl)sc3C)ccc21 ZINC000013084235 556281704 /nfs/dbraw/zinc/28/17/04/556281704.db2.gz CRQZQSVCDWQZTN-UHFFFAOYSA-N 0 0 468.003 6.148 40 0 JKABRN Cc1sc(NC(=O)c2sc3ccccc3c2Cl)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000013084316 556281801 /nfs/dbraw/zinc/28/18/01/556281801.db2.gz KYGLTOVDTRUFRU-UHFFFAOYSA-N 0 0 494.041 6.538 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)nc2c1cccc2C(F)(F)F)NC1CCCCCC1 ZINC000013084501 556281973 /nfs/dbraw/zinc/28/19/73/556281973.db2.gz WXSIDGALAXSGFU-UHFFFAOYSA-N 0 0 459.537 6.247 40 0 JKABRN COc1cccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2sccc2C)c1 ZINC000013084684 556281980 /nfs/dbraw/zinc/28/19/80/556281980.db2.gz PSBAPKWFUBDZNG-GOSISDBHSA-N 0 0 454.514 5.151 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)c1sc(C)nc1C ZINC000013084451 556282009 /nfs/dbraw/zinc/28/20/09/556282009.db2.gz UQXRDNQYCPGCIT-FQEVSTJZSA-N 0 0 455.649 5.510 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000027519503 556282674 /nfs/dbraw/zinc/28/26/74/556282674.db2.gz JPTFLZOIBGZWSY-MTJSOVHGSA-N 0 0 483.904 5.948 40 0 JKABRN O=C(CSc1nnc2c3ccccc3nc(C3CCCCC3)n12)N1CCc2ccccc2C1 ZINC000013086085 556285557 /nfs/dbraw/zinc/28/55/57/556285557.db2.gz KGHHQWNHSCKOTP-UHFFFAOYSA-N 0 0 457.603 5.002 40 0 JKABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000013086453 556286139 /nfs/dbraw/zinc/28/61/39/556286139.db2.gz JCNNSXNYMVYHRZ-UHFFFAOYSA-N 0 0 485.012 6.604 40 0 JKABRN FC(F)(F)c1cccc(CNc2nc(C3CC3)nc3c2nnn3Cc2ccccc2Cl)c1 ZINC000013086635 556286401 /nfs/dbraw/zinc/28/64/01/556286401.db2.gz UKQSSTLNGQSXFO-UHFFFAOYSA-N 0 0 458.875 5.431 40 0 JKABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CCC3)C1)Nc1ccc2c(c1)CCC2 ZINC000018159084 556296273 /nfs/dbraw/zinc/29/62/73/556296273.db2.gz YAMZMWOVZCNNPV-BGYRXZFFSA-N 0 0 460.622 5.414 40 0 JKABRN CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000018163593 556296924 /nfs/dbraw/zinc/29/69/24/556296924.db2.gz FPAWZWCFCCVLGZ-FKBYEOEOSA-N 0 0 450.947 5.113 40 0 JKABRN CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018167413 556297353 /nfs/dbraw/zinc/29/73/53/556297353.db2.gz FWTOXAOGUDVTRJ-PKTNWEFCSA-N 0 0 476.576 6.188 40 0 JKABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000018188767 556300438 /nfs/dbraw/zinc/30/04/38/556300438.db2.gz XVLOGMUOGIHPEJ-AMKYVZJASA-N 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O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000028208546 556318818 /nfs/dbraw/zinc/31/88/18/556318818.db2.gz KOPLCTUIPCOGOB-UHFFFAOYSA-N 0 0 485.005 5.488 40 0 JKABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000028208495 556318901 /nfs/dbraw/zinc/31/89/01/556318901.db2.gz IPXUMDQRDHYYFI-UHFFFAOYSA-N 0 0 468.644 5.440 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000028208576 556318907 /nfs/dbraw/zinc/31/89/07/556318907.db2.gz DTWCKRRQFHXVRB-UHFFFAOYSA-N 0 0 476.642 5.023 40 0 JKABRN Cc1cc(C)cc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)c1 ZINC000028209084 556319671 /nfs/dbraw/zinc/31/96/71/556319671.db2.gz YPXNIHGYFRSXGS-UHFFFAOYSA-N 0 0 468.575 5.735 40 0 JKABRN CN(c1ccc2sc(C(=O)Nc3cccc(Cl)c3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209098 556319681 /nfs/dbraw/zinc/31/96/81/556319681.db2.gz FJUMGLSORISNPI-UHFFFAOYSA-N 0 0 474.966 5.771 40 0 JKABRN CCc1ccccc1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209085 556319773 /nfs/dbraw/zinc/31/97/73/556319773.db2.gz IQKRACKPZNWGJF-UHFFFAOYSA-N 0 0 468.575 5.680 40 0 JKABRN CCCN(c1ccc2sc(C(=O)N[C@H](C)c3ccccc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209245 556320080 /nfs/dbraw/zinc/32/00/80/556320080.db2.gz MBMIKWGQDDMXQX-HXUWFJFHSA-N 0 0 492.666 6.306 40 0 JKABRN CCCCc1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)cc1 ZINC000028209191 556320118 /nfs/dbraw/zinc/32/01/18/556320118.db2.gz TXTVPHTYKFDJQY-UHFFFAOYSA-N 0 0 496.629 6.460 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccccc3Cl)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209292 556320383 /nfs/dbraw/zinc/32/03/83/556320383.db2.gz CLCBQKBXOLAOQB-UHFFFAOYSA-N 0 0 499.057 6.721 40 0 JKABRN CCCN(c1ccc2sc(C(=O)NCc3ccco3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209249 556320397 /nfs/dbraw/zinc/32/03/97/556320397.db2.gz LAESZYZWGDDYGF-UHFFFAOYSA-N 0 0 468.600 5.338 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3cccc(C)c3C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209266 556320472 /nfs/dbraw/zinc/32/04/72/556320472.db2.gz SXWOSMKESSLEOL-UHFFFAOYSA-N 0 0 492.666 6.684 40 0 JKABRN CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1C ZINC000018619863 556323038 /nfs/dbraw/zinc/32/30/38/556323038.db2.gz QRLVCLBWHBHBMA-UHFFFAOYSA-N 0 0 455.798 5.964 40 0 JKABRN CCc1cccc(CC)c1/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCO1 ZINC000013117128 556325623 /nfs/dbraw/zinc/32/56/23/556325623.db2.gz BZMXDTLODVJQAB-MABPWNACSA-N 0 0 482.646 5.779 40 0 JKABRN Cc1cc(Br)cc(C)c1OCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000028284411 556327345 /nfs/dbraw/zinc/32/73/45/556327345.db2.gz RPCQELKRUGKKOY-UHFFFAOYSA-N 0 0 471.420 6.086 40 0 JKABRN CC1(C)C[C@@H](NC(=O)Nc2cc(F)ccc2F)C[C@](C)(CNC(=O)Nc2cc(F)ccc2F)C1 ZINC000019075187 556327543 /nfs/dbraw/zinc/32/75/43/556327543.db2.gz XZCPTCLHKJVFBN-GYCJOSAFSA-N 0 0 480.506 5.771 40 0 JKABRN O=C(Nc1ccc(NC(=O)Nc2cccc3c2CCCC3)cc1)Nc1cccc2c1CCCC2 ZINC000019075279 556327644 /nfs/dbraw/zinc/32/76/44/556327644.db2.gz HCTDSYPQTVQTII-UHFFFAOYSA-N 0 0 454.574 6.732 40 0 JKABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2cccc3c2CCCC3)C1)Nc1cccc2c1CCCC2 ZINC000019075362 556327985 /nfs/dbraw/zinc/32/79/85/556327985.db2.gz ZVNRWRJELICBNW-VXKWHMMOSA-N 0 0 488.676 6.194 40 0 JKABRN Brc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000019117369 556331272 /nfs/dbraw/zinc/33/12/72/556331272.db2.gz IERRSVDKEIOZPT-MHZLTWQESA-N 0 0 498.380 6.565 40 0 JKABRN Cc1cc(C)n(C[C@H](C)Cn2c(C)c(C)c3cc(CN4C(=O)c5ccccc5C4=O)ccc32)n1 ZINC000028297147 556331635 /nfs/dbraw/zinc/33/16/35/556331635.db2.gz NLIIHBZZMGZYLD-QGZVFWFLSA-N 0 0 454.574 5.204 40 0 JKABRN COc1ccc([C@H]2C[C@H](NC(C)=O)[C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)cc1OC ZINC000028405377 556332968 /nfs/dbraw/zinc/33/29/68/556332968.db2.gz CHSGFRVZGJDKHM-VIICAESSSA-N 0 0 474.988 6.011 40 0 JKABRN Cc1ccc(C(=O)N[C@H](N(Cc2ccccc2)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000019203577 556333948 /nfs/dbraw/zinc/33/39/48/556333948.db2.gz XPSHPMUMUDLNTA-HSZRJFAPSA-N 0 0 461.820 6.124 40 0 JKABRN Cc1ccc(-c2c3n4c(c(-c5ccc(Cl)cc5)nc4n2C(=S)Nc2ccccc2)CCCC3)cc1 ZINC000028527585 556334962 /nfs/dbraw/zinc/33/49/62/556334962.db2.gz RWRBGZZCZIDMTM-UHFFFAOYSA-N 0 0 497.067 7.556 40 0 JKABRN COc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)c1 ZINC000028535388 556335232 /nfs/dbraw/zinc/33/52/32/556335232.db2.gz HLUQAVZRWGSRSM-UHFFFAOYSA-N 0 0 454.313 5.480 40 0 JKABRN COc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 ZINC000028535352 556335286 /nfs/dbraw/zinc/33/52/86/556335286.db2.gz SFRJEXXBCDYHSM-UHFFFAOYSA-N 0 0 454.313 5.480 40 0 JKABRN COC(=O)c1c(NC(=O)Cc2csc(-c3ccccc3)n2)sc(C)c1-c1ccc(F)cc1 ZINC000028540178 556335521 /nfs/dbraw/zinc/33/55/21/556335521.db2.gz OOLQOJINOSPPMQ-UHFFFAOYSA-N 0 0 466.559 5.954 40 0 JKABRN O=C(Nc1cc(Br)ccn1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539753 556335666 /nfs/dbraw/zinc/33/56/66/556335666.db2.gz UDZCSSPRWQNRMG-UHFFFAOYSA-N 0 0 481.353 6.374 40 0 JKABRN COC(=O)c1cnccc1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539750 556335677 /nfs/dbraw/zinc/33/56/77/556335677.db2.gz REJMWSLWRSWQCE-UHFFFAOYSA-N 0 0 460.493 5.398 40 0 JKABRN c1csc(-c2csc3nc(CN4CCOCC4)nc(OCCCOc4ccccc4)c23)c1 ZINC000028616736 556336880 /nfs/dbraw/zinc/33/68/80/556336880.db2.gz ZVPNJHXFZZYVIP-UHFFFAOYSA-N 0 0 467.616 5.100 40 0 JKABRN Cc1cc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3CCC(C)C)c(C)c2)ccc1NC(=O)[C@@H]1C[C@H]1CCC(C)C ZINC000028632160 556338549 /nfs/dbraw/zinc/33/85/49/556338549.db2.gz OURJVHFOIBGXMC-JUDWXZBOSA-N 0 0 488.716 7.992 40 0 JKABRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2Cc2cc(Cl)ccc2OC)cc1 ZINC000019326883 556341681 /nfs/dbraw/zinc/34/16/81/556341681.db2.gz YQUHLMXFIQODFQ-UHFFFAOYSA-N 0 0 481.036 5.643 40 0 JKABRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cccc(F)c2)c(OC)c1 ZINC000019326111 556341752 /nfs/dbraw/zinc/34/17/52/556341752.db2.gz SCYMEDSQBJBKAE-UHFFFAOYSA-N 0 0 480.580 5.267 40 0 JKABRN CC1=C(C(=O)OC2CCCCC2)C(/C=C/c2ccccc2)C(C(=O)OC2CCCCC2)=C(C)N1 ZINC000019418220 556347871 /nfs/dbraw/zinc/34/78/71/556347871.db2.gz AGWZTGSJYHLIJV-VHEBQXMUSA-N 0 0 463.618 6.219 40 0 JKABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccc(-c3ccccc3)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000019594060 556356109 /nfs/dbraw/zinc/35/61/09/556356109.db2.gz QNMNFVDELSLOGT-UHFFFAOYSA-N 0 0 461.602 6.272 40 0 JKABRN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000013137912 556368992 /nfs/dbraw/zinc/36/89/92/556368992.db2.gz QKQPMFNHNDGCHO-QCBUCWTNSA-N 0 0 471.573 5.085 40 0 JKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000030750878 556370880 /nfs/dbraw/zinc/37/08/80/556370880.db2.gz VPEUFTJMMFPOQV-UHFFFAOYSA-N 0 0 460.599 5.736 40 0 JKABRN COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(OC)cc1Cl ZINC000030754841 556372489 /nfs/dbraw/zinc/37/24/89/556372489.db2.gz UJJJTOAVMGHXNH-UHFFFAOYSA-N 0 0 481.357 5.064 40 0 JKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000030754290 556372539 /nfs/dbraw/zinc/37/25/39/556372539.db2.gz XNJPHNFERLEYPL-JOCHJYFZSA-N 0 0 476.957 5.384 40 0 JKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000030754439 556372620 /nfs/dbraw/zinc/37/26/20/556372620.db2.gz MQLGEDIPNIITTQ-OAQYLSRUSA-N 0 0 458.967 5.245 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)c(C)c1 ZINC000030755478 556372791 /nfs/dbraw/zinc/37/27/91/556372791.db2.gz UXRFBTYZLJZXSI-KRWDZBQOSA-N 0 0 458.967 5.164 40 0 JKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000030754956 556372832 /nfs/dbraw/zinc/37/28/32/556372832.db2.gz PKKAUOZPYMCAAJ-IBGZPJMESA-N 0 0 452.576 5.073 40 0 JKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000030755341 556372911 /nfs/dbraw/zinc/37/29/11/556372911.db2.gz HBFQRKFUGAWPKT-XMMPIXPASA-N 0 0 495.000 6.090 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3CCc3ccccc3)c2)cc1 ZINC000030756403 556373247 /nfs/dbraw/zinc/37/32/47/556373247.db2.gz OLOHKNORPYQALE-UHFFFAOYSA-N 0 0 476.620 7.274 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c2ccccc2)cc1 ZINC000030757687 556373816 /nfs/dbraw/zinc/37/38/16/556373816.db2.gz ZHXYFNJXTFULFI-LJAQVGFWSA-N 0 0 498.648 6.240 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c2ccccc2)cc1 ZINC000030758228 556373849 /nfs/dbraw/zinc/37/38/49/556373849.db2.gz JLZBPHUBWPEDQG-VWLOTQADSA-N 0 0 476.623 5.401 40 0 JKABRN O=C(Nc1ccc(Br)cc1F)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000030757626 556373925 /nfs/dbraw/zinc/37/39/25/556373925.db2.gz FVQOCJRXBUPTAP-UHFFFAOYSA-N 0 0 483.746 5.295 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1Cl ZINC000030758673 556374127 /nfs/dbraw/zinc/37/41/27/556374127.db2.gz HKYPNSSJKSARDC-UHFFFAOYSA-N 0 0 460.382 6.715 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000030759036 556374222 /nfs/dbraw/zinc/37/42/22/556374222.db2.gz CQCJMOCGRVDPJR-NDEPHWFRSA-N 0 0 484.621 5.481 40 0 JKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000030758944 556374270 /nfs/dbraw/zinc/37/42/70/556374270.db2.gz MCIYFHHXHKCCLS-VWLOTQADSA-N 0 0 478.545 5.576 40 0 JKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030758915 556374294 /nfs/dbraw/zinc/37/42/94/556374294.db2.gz LLHIQWHVSBLZNN-MRXNPFEDSA-N 0 0 458.967 5.031 40 0 JKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000030848736 556376540 /nfs/dbraw/zinc/37/65/40/556376540.db2.gz PPRYDEIWBZCFED-XMMPIXPASA-N 0 0 495.000 6.090 40 0 JKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000030849665 556376726 /nfs/dbraw/zinc/37/67/26/556376726.db2.gz WMJGNDPWPONZMG-OAHLLOKOSA-N 0 0 493.412 5.763 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(Cl)c1 ZINC000030852481 556378130 /nfs/dbraw/zinc/37/81/30/556378130.db2.gz OABXDQPPGNMYDY-UHFFFAOYSA-N 0 0 493.368 5.223 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2C)cc1 ZINC000030852643 556378276 /nfs/dbraw/zinc/37/82/76/556378276.db2.gz SGIZUYLISPWRGK-UHFFFAOYSA-N 0 0 491.440 5.464 40 0 JKABRN Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)ccc1Br ZINC000030854735 556379371 /nfs/dbraw/zinc/37/93/71/556379371.db2.gz KAGOWFFUVCMXFK-UHFFFAOYSA-N 0 0 479.783 5.464 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Br)c(C)c3)c(Cl)c2)cc1 ZINC000030855499 556379754 /nfs/dbraw/zinc/37/97/54/556379754.db2.gz FRMLKIFFGKNWIQ-UHFFFAOYSA-N 0 0 493.810 5.772 40 0 JKABRN CCSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000030856331 556380078 /nfs/dbraw/zinc/38/00/78/556380078.db2.gz IHTPGDMRVZGZPW-HNNXBMFYSA-N 0 0 487.474 5.286 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2Cl)cc1 ZINC000030857074 556380091 /nfs/dbraw/zinc/38/00/91/556380091.db2.gz IMYYHIYQPOBVDQ-JOCHJYFZSA-N 0 0 454.979 5.257 40 0 JKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000030860684 556381481 /nfs/dbraw/zinc/38/14/81/556381481.db2.gz FGZKXFFOIBQUAZ-JOCHJYFZSA-N 0 0 475.035 5.959 40 0 JKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000030861589 556381965 /nfs/dbraw/zinc/38/19/65/556381965.db2.gz AXASHHYPCCQXCI-HSZRJFAPSA-N 0 0 452.576 5.209 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2Cl)cc1 ZINC000030865538 556383255 /nfs/dbraw/zinc/38/32/55/556383255.db2.gz GYTNUBHBHMKGTJ-GOSISDBHSA-N 0 0 456.995 5.200 40 0 JKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000030866536 556383540 /nfs/dbraw/zinc/38/35/40/556383540.db2.gz VEVWEVZPWOUJTL-DEOSSOPVSA-N 0 0 466.603 5.517 40 0 JKABRN CC(C)C[C@H](NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000030866940 556383544 /nfs/dbraw/zinc/38/35/44/556383544.db2.gz XITCAVSCVDIVQX-VWLOTQADSA-N 0 0 497.636 5.156 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030869199 556384441 /nfs/dbraw/zinc/38/44/41/556384441.db2.gz AAXXALPZJKBDCD-MGPUTAFESA-N 0 0 487.449 5.060 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030869203 556384538 /nfs/dbraw/zinc/38/45/38/556384538.db2.gz AAXXALPZJKBDCD-YWZLYKJASA-N 0 0 487.449 5.060 40 0 JKABRN CC(C)Oc1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000030870500 556384853 /nfs/dbraw/zinc/38/48/53/556384853.db2.gz LDFLTBLUKVEVAW-NDEPHWFRSA-N 0 0 474.626 5.221 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000019818169 556385297 /nfs/dbraw/zinc/38/52/97/556385297.db2.gz HTBGANPASYLWHR-CLJLJLNGSA-N 0 0 491.632 5.623 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000019818170 556385305 /nfs/dbraw/zinc/38/53/05/556385305.db2.gz HTBGANPASYLWHR-IZZNHLLZSA-N 0 0 491.632 5.623 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc2ccccc21 ZINC000019818285 556385430 /nfs/dbraw/zinc/38/54/30/556385430.db2.gz RBXQBWHBGDRONA-LOSJGSFVSA-N 0 0 455.558 5.351 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl ZINC000019818303 556385441 /nfs/dbraw/zinc/38/54/41/556385441.db2.gz PHBDJWAMZLLSLG-SFTDATJTSA-N 0 0 474.388 5.505 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1cccc2ccccc21 ZINC000019818289 556385505 /nfs/dbraw/zinc/38/55/05/556385505.db2.gz RBXQBWHBGDRONA-DQEYMECFSA-N 0 0 455.558 5.351 40 0 JKABRN Cc1ccccc1CSCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000030873440 556385760 /nfs/dbraw/zinc/38/57/60/556385760.db2.gz DHKJRNXZLCAGSV-UHFFFAOYSA-N 0 0 475.035 5.112 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000030873817 556386098 /nfs/dbraw/zinc/38/60/98/556386098.db2.gz QTHFQEQVPRMQFU-UHFFFAOYSA-N 0 0 497.016 5.139 40 0 JKABRN CC(=O)c1ccc(NC(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N(C)Cc3cccnc3)C[C@H]2C(C)C)cc1 ZINC000030881864 556386787 /nfs/dbraw/zinc/38/67/87/556386787.db2.gz NCZHCBWHEQEROY-KLJDGLGGSA-N 0 0 490.648 5.309 40 0 biogenic,in-vitro JKABRN C[C@H](C(=O)N1CCC(C)CC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Nc3cccc(F)c3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030884204 556387220 /nfs/dbraw/zinc/38/72/20/556387220.db2.gz GFAOSOYTERUXJP-CCDHNYAISA-N 0 0 487.660 5.034 40 0 biogenic,in-vitro JKABRN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030943343 556389035 /nfs/dbraw/zinc/38/90/35/556389035.db2.gz GWIDONIBWFTWTL-IBGZPJMESA-N 0 0 463.405 5.801 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000019820174 556389129 /nfs/dbraw/zinc/38/91/29/556389129.db2.gz PJFNTLTUKKSKGS-DHIUTWEWSA-N 0 0 459.933 5.005 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 ZINC000019820138 556389136 /nfs/dbraw/zinc/38/91/36/556389136.db2.gz IHZMFACMOARGNC-RPWUZVMVSA-N 0 0 471.582 5.074 40 0 JKABRN CCCOc1ccc([C@H]2[C@@H](C(=O)OCC)C(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019820240 556389160 /nfs/dbraw/zinc/38/91/60/556389160.db2.gz VLCIPUDJIONMFA-FTJBHMTQSA-N 0 0 483.568 5.141 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 ZINC000019820136 556389164 /nfs/dbraw/zinc/38/91/64/556389164.db2.gz IHZMFACMOARGNC-BJKOFHAPSA-N 0 0 471.582 5.074 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1Cl ZINC000019820264 556389423 /nfs/dbraw/zinc/38/94/23/556389423.db2.gz UASUVGQBYNBUAV-XZOQPEGZSA-N 0 0 459.933 5.005 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 ZINC000019820551 556389902 /nfs/dbraw/zinc/38/99/02/556389902.db2.gz BLRRWCHSSGOLMG-JWQCQUIFSA-N 0 0 485.609 5.116 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 ZINC000019820597 556390249 /nfs/dbraw/zinc/39/02/49/556390249.db2.gz NRQHXPBDGBSLRD-ZEQRLZLVSA-N 0 0 473.960 5.048 40 0 JKABRN CCCOc1ccc([C@@H]2[C@@H](C(=O)OCC)C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019820648 556390299 /nfs/dbraw/zinc/39/02/99/556390299.db2.gz BYKAKBIGWDLDLN-KAYWLYCHSA-N 0 0 497.595 5.183 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000019820593 556390326 /nfs/dbraw/zinc/39/03/26/556390326.db2.gz NRQHXPBDGBSLRD-BJKOFHAPSA-N 0 0 473.960 5.048 40 0 JKABRN Cc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1C ZINC000019829011 556397329 /nfs/dbraw/zinc/39/73/29/556397329.db2.gz AAQRRRFIUYWGKV-UHFFFAOYSA-N 0 0 496.938 5.810 40 0 JKABRN Cc1cccc(C)c1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000019829006 556397375 /nfs/dbraw/zinc/39/73/75/556397375.db2.gz UQJFAJQBLOWCCS-UHFFFAOYSA-N 0 0 496.938 5.810 40 0 JKABRN Cc1ccccc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000019828997 556397397 /nfs/dbraw/zinc/39/73/97/556397397.db2.gz AFSXYEPVBKODNJ-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN CCCCCCC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OC(=O)CCCCCC)[C@@]3(C)CC[C@H]21 ZINC000031476880 556397401 /nfs/dbraw/zinc/39/74/01/556397401.db2.gz OVAHZPTYWMWNKO-CAHAWPIUSA-N 0 0 496.732 8.301 40 0 world JKABRN c1ccc(CSc2nc3c(c(SCc4ccccc4)n2)CN(Cc2ccccc2)CC3)cc1 ZINC000031659547 556401148 /nfs/dbraw/zinc/40/11/48/556401148.db2.gz FACHDVGPWQVSBI-UHFFFAOYSA-N 0 0 469.679 6.620 40 0 JKABRN Cc1ccc(C(=O)N[C@@H](N[C@H](NC(=O)c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000031716271 556402430 /nfs/dbraw/zinc/40/24/30/556402430.db2.gz KETRINJJULJWGI-LOYHVIPDSA-N 0 0 491.635 6.067 40 0 JKABRN COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]1c1ccccc1 ZINC000031817062 556407520 /nfs/dbraw/zinc/40/75/20/556407520.db2.gz SVMASLBUCIJMAQ-HHHXNRCGSA-N 0 0 467.569 5.516 40 0 JKABRN COc1ccccc1NC(=O)C1=CNC(C)=C(C(=O)Nc2ccccc2OC)[C@@H]1/C=C\c1ccccc1 ZINC000031817425 556407724 /nfs/dbraw/zinc/40/77/24/556407724.db2.gz PWUAIOFBJTWJCZ-WLBHNISZSA-N 0 0 495.579 5.372 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2)C(c2cc(Cl)cc(Cl)c2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000031829878 556408474 /nfs/dbraw/zinc/40/84/74/556408474.db2.gz SWULTTFXQXRFNC-UHFFFAOYSA-N 0 0 492.406 6.506 40 0 JKABRN 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ZINC000032687284 556470819 /nfs/dbraw/zinc/47/08/19/556470819.db2.gz WPDDXUDVOQRJSE-UHFFFAOYSA-N 0 0 457.584 5.583 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1cccc(Cl)c1Cl ZINC000032693361 556471462 /nfs/dbraw/zinc/47/14/62/556471462.db2.gz FNRCGXJTMHXFPS-UHFFFAOYSA-N 0 0 454.382 6.781 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc(Br)cc1 ZINC000032692528 556471465 /nfs/dbraw/zinc/47/14/65/556471465.db2.gz HINKPBLZBQEXTP-UHFFFAOYSA-N 0 0 464.388 6.237 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1nc(-c2ccccc2)cs1 ZINC000032692839 556471528 /nfs/dbraw/zinc/47/15/28/556471528.db2.gz AQVFJTNCRMENSQ-UHFFFAOYSA-N 0 0 468.607 6.598 40 0 JKABRN COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000032752671 556485455 /nfs/dbraw/zinc/48/54/55/556485455.db2.gz BYVYJFOOOGOCRG-XDHOZWIPSA-N 0 0 477.904 5.690 40 0 JKABRN C[C@@]1(O)CCN(Cc2cc(-c3ccccc3)no2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290386 560029680 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Cc1sc2nc(C3CCCCC3)nc(SCC(=O)N3CC(=O)Nc4ccccc43)c2c1C ZINC000008667026 562948963 /nfs/dbraw/zinc/94/89/63/562948963.db2.gz KNTFWVDUNXYYJT-UHFFFAOYSA-N 0 0 466.632 5.433 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc2ncccc2c1)N(Cc1cccs1)C(=O)c1cccs1 ZINC000008672249 562949797 /nfs/dbraw/zinc/94/97/97/562949797.db2.gz JQGWDZYZGHCQOL-VWLOTQADSA-N 0 0 489.666 6.190 40 0 JKABRN COc1cc2cc(CN(Cc3cccs3)C(=S)Nc3ccc(C)cc3)c(=O)[nH]c2cc1OC ZINC000008685753 562952578 /nfs/dbraw/zinc/95/25/78/562952578.db2.gz IUCODZNEZITBNW-UHFFFAOYSA-N 0 0 479.627 5.314 40 0 JKABRN COc1cc2cc(CN(Cc3cccs3)C(=S)Nc3cccc(C)c3)c(=O)[nH]c2cc1OC ZINC000008685789 562952581 /nfs/dbraw/zinc/95/25/81/562952581.db2.gz HYSOMDCGQIUVPR-UHFFFAOYSA-N 0 0 479.627 5.314 40 0 JKABRN O=C(NC[C@H]1CCCO1)[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000008685898 562952674 /nfs/dbraw/zinc/95/26/74/562952674.db2.gz JARWWLDFLXGFFO-YIXXDRMTSA-N 0 0 499.636 5.422 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccc2c(c1)OCCO2 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/nfs/dbraw/zinc/58/94/52/569589452.db2.gz RYICRLLKYBWYPP-TWBKXSQYSA-N 0 0 469.566 6.161 40 0 JKABRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=C\c2ccc(OC)c(OC)c2)cc1 ZINC000054201171 569589466 /nfs/dbraw/zinc/58/94/66/569589466.db2.gz NZMDLVPLMPEWNY-IPLHSMHLSA-N 0 0 499.592 6.170 40 0 JKABRN Cc1ccc(-c2nnc3sc(CN4C(=O)S/C(=C\c5ccc(Cl)cc5)C4=O)nn32)cc1 ZINC000054360591 569590087 /nfs/dbraw/zinc/59/00/87/569590087.db2.gz PTRHBSZWWKHBIA-YBEGLDIGSA-N 0 0 467.963 5.051 40 0 JKABRN CC(C)COP(=O)(OCC[C@@H](C)OP(=O)(OCC(C)C)OCC(C)C)OCC(C)C ZINC000008616490 569592239 /nfs/dbraw/zinc/59/22/39/569592239.db2.gz TXHSKPOIYCONSU-HXUWFJFHSA-N 0 0 474.512 6.705 40 0 JKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@]5(C[C@]4(C)[C@@H]3CC[C@]12C)Nc1ccccc1S5 ZINC000008615747 569592234 /nfs/dbraw/zinc/59/22/34/569592234.db2.gz MNGCIVGVBXHUSG-KKXKRBQASA-N 0 0 479.818 9.632 40 0 JKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@]5(C[C@]4(C)[C@@H]3CC[C@]12C)Nc1ccccc1S5 ZINC000008615746 569592250 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WOVYGXKHVYAYMF-UHFFFAOYSA-N 0 0 476.216 5.651 40 0 JKABRN CC(=O)N(CCCP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1 ZINC000065748929 569676746 /nfs/dbraw/zinc/67/67/46/569676746.db2.gz XRFOPUVTELUIOT-UHFFFAOYSA-N 0 0 467.502 5.984 40 0 in-vitro JKABRN CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000066251055 569677048 /nfs/dbraw/zinc/67/70/48/569677048.db2.gz OAWZVIXONSQALS-QROXQBBHSA-N 0 0 482.749 7.920 40 0 JKABRN O=C([O-])C1C[NH+](Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1 ZINC000066098695 569677104 /nfs/dbraw/zinc/67/71/04/569677104.db2.gz GVXGVDIXINMAAL-UHFFFAOYSA-N 0 0 450.510 5.349 40 0 in-vitro JKABRN COc1c(Br)cc(C(=O)Nc2ccc3ccccc3c2)cc1OCc1ccccc1 ZINC000035169137 569677264 /nfs/dbraw/zinc/67/72/64/569677264.db2.gz OSWNHMDUHJRMFJ-UHFFFAOYSA-N 0 0 462.343 6.442 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4cc5ccccc5oc4=O)c(Cl)c3)o2)cc1C ZINC000035177065 569677320 /nfs/dbraw/zinc/67/73/20/569677320.db2.gz SREDGIGJZGWLDB-UHFFFAOYSA-N 0 0 469.924 7.243 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)ccc3o2)c(Cl)c1 ZINC000035176694 569677358 /nfs/dbraw/zinc/67/73/58/569677358.db2.gz HABRKICPRSDCTQ-UHFFFAOYSA-N 0 0 456.929 7.586 40 0 JKABRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C(=O)N1c1c(F)cccc1F ZINC000035196442 569678110 /nfs/dbraw/zinc/67/81/10/569678110.db2.gz ZZYUIKPCFCGYGT-TXHUAPDYSA-N 0 0 475.441 5.667 40 0 JKABRN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccccc2C)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000035240011 569678592 /nfs/dbraw/zinc/67/85/92/569678592.db2.gz GQNGIFCOFYQZNX-IBGZPJMESA-N 0 0 460.643 7.021 40 0 JKABRN Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000035240018 569678624 /nfs/dbraw/zinc/67/86/24/569678624.db2.gz OZPXLQCGSWXTNW-GOSISDBHSA-N 0 0 481.061 7.366 40 0 JKABRN Cc1ccc(NC(=O)c2c(NC(=O)c3cccc(Cl)c3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000035240666 569678700 /nfs/dbraw/zinc/67/87/00/569678700.db2.gz LOGWANPCHCPIJQ-SFHVURJKSA-N 0 0 481.061 7.366 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000035240680 569678714 /nfs/dbraw/zinc/67/87/14/569678714.db2.gz HWMMXDIIENLBRO-QGZVFWFLSA-N 0 0 467.034 7.057 40 0 JKABRN Cc1ccc(COc2c(Br)cc(CNc3cccc(Cl)c3)cc2Br)cc1 ZINC000035252616 569678817 /nfs/dbraw/zinc/67/88/17/569678817.db2.gz XRHHBOFFCFZGQT-UHFFFAOYSA-N 0 0 495.642 7.365 40 0 JKABRN COc1cc(C(=S)N2CCC(C)CC2)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000035251849 569678830 /nfs/dbraw/zinc/67/88/30/569678830.db2.gz FSSHLSXWUBNUPJ-UHFFFAOYSA-N 0 0 468.844 6.098 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1 ZINC000035253547 569678837 /nfs/dbraw/zinc/67/88/37/569678837.db2.gz HNTKRRYTJHSNLE-UHFFFAOYSA-N 0 0 496.482 5.077 40 0 JKABRN O=C(Nc1ccc(NC(=O)c2cccc(COc3ccccc3)c2)cc1)c1cccc(Cl)c1 ZINC000035264084 569678918 /nfs/dbraw/zinc/67/89/18/569678918.db2.gz FCBVABWUPXDVGZ-UHFFFAOYSA-N 0 0 456.929 6.424 40 0 JKABRN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Br ZINC000035264086 569678974 /nfs/dbraw/zinc/67/89/74/569678974.db2.gz QDLYJDVPZOXRHJ-UHFFFAOYSA-N 0 0 459.727 5.616 40 0 JKABRN CCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035264239 569679101 /nfs/dbraw/zinc/67/91/01/569679101.db2.gz CSRODVRAXVHUJI-UHFFFAOYSA-N 0 0 450.966 6.804 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035269914 569679239 /nfs/dbraw/zinc/67/92/39/569679239.db2.gz ZUJPQHSUPCBPSV-UHFFFAOYSA-N 0 0 453.951 5.118 40 0 JKABRN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C ZINC000035271638 569679274 /nfs/dbraw/zinc/67/92/74/569679274.db2.gz LQKPYGCGLRNAAB-UHFFFAOYSA-N 0 0 467.978 5.101 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035271976 569679291 /nfs/dbraw/zinc/67/92/91/569679291.db2.gz QXFOYLTWPFBHBH-UHFFFAOYSA-N 0 0 488.396 5.446 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000035271633 569679330 /nfs/dbraw/zinc/67/93/30/569679330.db2.gz FWHHNYRDIZINDX-UHFFFAOYSA-N 0 0 496.032 5.916 40 0 JKABRN O=C(NC1CCCC1)[C@@H](c1ccc2ncccc2c1)N(Cc1cccs1)C(=O)c1ccc(O)cc1 ZINC000035288787 569679528 /nfs/dbraw/zinc/67/95/28/569679528.db2.gz MEYDFHQXFMGGKV-AREMUKBSSA-N 0 0 485.609 5.444 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1ccc2ncccc2c1)N(Cc1cccs1)C(=O)c1ccc(O)cc1 ZINC000035288786 569679555 /nfs/dbraw/zinc/67/95/55/569679555.db2.gz MEYDFHQXFMGGKV-SANMLTNESA-N 0 0 485.609 5.444 40 0 JKABRN COc1ccc(N(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)cc1 ZINC000035288782 569679569 /nfs/dbraw/zinc/67/95/69/569679569.db2.gz HNBFMXOTNGKBNK-MHZLTWQESA-N 0 0 499.636 6.142 40 0 JKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC000035316166 569680564 /nfs/dbraw/zinc/68/05/64/569680564.db2.gz OLBXQUVOOUIVIV-JOCHJYFZSA-N 0 0 470.978 5.566 40 0 JKABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)o1 ZINC000035318142 569680662 /nfs/dbraw/zinc/68/06/62/569680662.db2.gz PBGLCNXYEYKKBB-CIAFOILYSA-N 0 0 464.543 5.327 40 0 JKABRN O=C(COc1ccccc1Cl)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000035352212 569681739 /nfs/dbraw/zinc/68/17/39/569681739.db2.gz OFZSURYDLHXGKO-JZLRHHTDSA-N 0 0 492.953 6.820 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C(=O)NC1CCCCC1 ZINC000035352448 569681834 /nfs/dbraw/zinc/68/18/34/569681834.db2.gz ZJFCBUOBHOJEHX-UHFFFAOYSA-N 0 0 476.642 5.449 40 0 JKABRN CCCOc1c(I)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000035352887 569681936 /nfs/dbraw/zinc/68/19/36/569681936.db2.gz ZNCQEWWTGXIIRU-UHFFFAOYSA-N 0 0 459.711 5.303 40 0 JKABRN C/C(=C\CC[C@@H](C)OC(=O)Nc1ccccc1)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C ZINC000035361121 569682060 /nfs/dbraw/zinc/68/20/60/569682060.db2.gz YELQRGZMVJTXOF-SHWIEXMCSA-N 0 0 451.695 8.929 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000035362067 569682314 /nfs/dbraw/zinc/68/23/14/569682314.db2.gz SFXCIIPEFOZSLD-UHFFFAOYSA-N 0 0 471.022 5.601 40 0 JKABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000035363350 569682553 /nfs/dbraw/zinc/68/25/53/569682553.db2.gz YLRNSSOWZGGXHD-CQSZACIVSA-N 0 0 492.432 5.135 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000035363485 569682567 /nfs/dbraw/zinc/68/25/67/569682567.db2.gz ALERQYQNCSKNQQ-UHFFFAOYSA-N 0 0 450.560 5.647 40 0 JKABRN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc(Cl)cc2)[C@H]2CSCN21 ZINC000035374551 569684118 /nfs/dbraw/zinc/68/41/18/569684118.db2.gz RJGKIQRTYIVUHE-JPYYHWIRSA-N 0 0 490.028 5.116 40 0 JKABRN O=C(c1cccnc1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000035374563 569684213 /nfs/dbraw/zinc/68/42/13/569684213.db2.gz MZVZHDUUHPBUDG-IYXIZZNPSA-N 0 0 496.419 5.207 40 0 JKABRN CCn1c(COc2ccccc2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000035376993 569685081 /nfs/dbraw/zinc/68/50/81/569685081.db2.gz OXCWWQQHRYGRFK-UHFFFAOYSA-N 0 0 456.656 5.463 40 0 JKABRN C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000035377214 569685130 /nfs/dbraw/zinc/68/51/30/569685130.db2.gz OPPZFKULPSJAAY-LLVKDONJSA-N 0 0 455.798 5.559 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)c1 ZINC000035394625 569687297 /nfs/dbraw/zinc/68/72/97/569687297.db2.gz IODPPIJANFRRLS-UHFFFAOYSA-N 0 0 479.385 5.429 40 0 JKABRN O=S(=O)(Nc1cc(C(F)(F)F)ccc1Br)c1cccc(Br)c1 ZINC000035395410 569687368 /nfs/dbraw/zinc/68/73/68/569687368.db2.gz BXDHTAJSJPKBIK-UHFFFAOYSA-N 0 0 459.081 5.031 40 0 JKABRN C[C@@H](COC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000068605514 569691530 /nfs/dbraw/zinc/69/15/30/569691530.db2.gz LGFXUQRYSFMSGQ-LEWJYISDSA-N 0 0 456.532 7.749 40 0 JKABRN CCO[C@@]1(c2ccccc2)C(=C(c2ccccc2)c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000068603447 569691540 /nfs/dbraw/zinc/69/15/40/569691540.db2.gz MFAOSMYHQAWLCC-DIPNUNPCSA-N 0 0 490.646 9.045 40 0 JKABRN Cc1ccc(S(=O)(=O)[C@@H]2CCCCCCC[C@H](S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000068604696 569691566 /nfs/dbraw/zinc/69/15/66/569691566.db2.gz VHUVNUYQZYDVRX-ZRZAMGCNSA-N 0 0 462.677 5.813 40 0 JKABRN Cc1cc(C)n(-c2nc3c(s2)c(Cl)c(NC(=O)c2ccccc2Cl)cc3Cl)n1 ZINC000072229017 569700656 /nfs/dbraw/zinc/70/06/56/569700656.db2.gz ZCWKLDIGZMZEMM-UHFFFAOYSA-N 0 0 451.766 6.311 40 0 JKABRN CCOc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1 ZINC000070503693 569695390 /nfs/dbraw/zinc/69/53/90/569695390.db2.gz DFJOZVDKSSROOM-UHFFFAOYSA-N 0 0 456.011 6.477 40 0 JKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000070687994 569695711 /nfs/dbraw/zinc/69/57/11/569695711.db2.gz CVKZWRTYHCDWTE-WXYUEAAMSA-N 0 0 472.666 5.544 40 0 biogenic JKABRN CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000070680938 569695720 /nfs/dbraw/zinc/69/57/20/569695720.db2.gz DOAJFZJEGHSYOI-PJWJAHPMSA-N 0 0 476.742 5.712 40 0 biogenic JKABRN CC(=O)N1C[C@H](C)CC[C@]12O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000070691890 569695791 /nfs/dbraw/zinc/69/57/91/569695791.db2.gz NMSBQRSQYHTTIB-OMRXZHHXSA-N 0 0 457.699 5.626 40 0 biogenic JKABRN CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2C[C@@H](O)[C@H]2[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]32C)O1 ZINC000070691816 569695836 /nfs/dbraw/zinc/69/58/36/569695836.db2.gz VGALEQRDKRZJFD-WLRYUMPGSA-N 0 0 476.742 5.712 40 0 biogenic JKABRN Cc1c2c(c(C)c3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21 ZINC000071782674 569698080 /nfs/dbraw/zinc/69/80/80/569698080.db2.gz LNVOPYSKEQAQTG-UHFFFAOYSA-N 0 0 458.604 8.278 40 0 JKABRN c1ccc2c(c1)C1c3ccccc3C2[C@@H]2C1=C1C3c4ccccc4C(c4ccccc43)[C@@H]1[C@H]1CCCC[C@H]21 ZINC000071782678 569698163 /nfs/dbraw/zinc/69/81/63/569698163.db2.gz RRBWENYMZIHSCD-YAWYMSTLSA-N 0 0 488.674 8.917 40 0 JKABRN Cc1ccc(NC(=O)C(Br)(c2ccccc2)c2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000035520083 569698770 /nfs/dbraw/zinc/69/87/70/569698770.db2.gz JRYLKVROVMDSBV-UHFFFAOYSA-N 0 0 484.393 6.503 40 0 JKABRN CCCCOC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000072099661 569699610 /nfs/dbraw/zinc/69/96/10/569699610.db2.gz PHGPOYKRNJWODC-PTHRTHQKSA-N 0 0 486.781 9.350 40 0 JKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072214688 569700135 /nfs/dbraw/zinc/70/01/35/569700135.db2.gz UKPFNNVZNRONEK-OAQYLSRUSA-N 0 0 459.612 5.067 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc2)cc1 ZINC000072214597 569700136 /nfs/dbraw/zinc/70/01/36/569700136.db2.gz UHEHKVDNQWWHBY-QHCPKHFHSA-N 0 0 487.666 5.703 40 0 JKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072214748 569700142 /nfs/dbraw/zinc/70/01/42/569700142.db2.gz ZGQZUFYMWMJARV-OAQYLSRUSA-N 0 0 459.612 5.067 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc2)cc1 ZINC000072214567 569700144 /nfs/dbraw/zinc/70/01/44/569700144.db2.gz ALSUYNFQOMPDCT-JOCHJYFZSA-N 0 0 473.639 5.313 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215169 569700152 /nfs/dbraw/zinc/70/01/52/569700152.db2.gz XYCWSVKVYNVXHB-OFNKIYASSA-N 0 0 467.610 6.485 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215048 569700158 /nfs/dbraw/zinc/70/01/58/569700158.db2.gz XAZPAQDUHUYYTC-JOCHJYFZSA-N 0 0 473.639 5.457 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N(C(=O)OC(C)(C)C)C(C)C)cc1 ZINC000072214957 569700171 /nfs/dbraw/zinc/70/01/71/569700171.db2.gz RZBVHNYFHLOZRR-QFIPXVFZSA-N 0 0 473.639 5.456 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072215034 569700174 /nfs/dbraw/zinc/70/01/74/569700174.db2.gz UTLZCCINARTSOW-JOCHJYFZSA-N 0 0 453.583 6.097 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072215134 569700176 /nfs/dbraw/zinc/70/01/76/569700176.db2.gz QTNZALPHFGRRKU-SIKLNZKXSA-N 0 0 473.639 5.456 40 0 JKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214948 569700240 /nfs/dbraw/zinc/70/02/40/569700240.db2.gz IPTRKGWLRXZTSV-QFIPXVFZSA-N 0 0 453.583 6.095 40 0 JKABRN CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215602 569700267 /nfs/dbraw/zinc/70/02/67/569700267.db2.gz RHCFXDJGTPXYGQ-UHFFFAOYSA-N 0 0 461.603 5.643 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N(C(=O)OC(C)(C)C)C2CCC2)cc1 ZINC000072215511 569700295 /nfs/dbraw/zinc/70/02/95/569700295.db2.gz RHYOZXSCGYUMGQ-JOCHJYFZSA-N 0 0 471.623 5.210 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215299 569700298 /nfs/dbraw/zinc/70/02/98/569700298.db2.gz YKMAMMHUROOUQS-NFBKMPQASA-N 0 0 487.666 5.846 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215300 569700303 /nfs/dbraw/zinc/70/03/03/569700303.db2.gz YKMAMMHUROOUQS-NZQKXSOJSA-N 0 0 487.666 5.846 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N(C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000072215872 569700356 /nfs/dbraw/zinc/70/03/56/569700356.db2.gz MJNJZHBFCAIDLS-DEOSSOPVSA-N 0 0 493.629 5.989 40 0 JKABRN CC(C)(C)OC(=O)NCCCC(=O)c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215666 569700365 /nfs/dbraw/zinc/70/03/65/569700365.db2.gz JKRXQJUUZSWSEI-UHFFFAOYSA-N 0 0 461.603 5.643 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N(C(=O)OC(C)(C)C)C2CCCCC2)cc1 ZINC000072215751 569700367 /nfs/dbraw/zinc/70/03/67/569700367.db2.gz YJRWFAVLHCEMCA-XMMPIXPASA-N 0 0 499.677 5.990 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215797 569700371 /nfs/dbraw/zinc/70/03/71/569700371.db2.gz GLXLEZCFFSRVNI-DEOSSOPVSA-N 0 0 473.573 6.629 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072215857 569700404 /nfs/dbraw/zinc/70/04/04/569700404.db2.gz NQPGHLIZZTYGBI-DEOSSOPVSA-N 0 0 473.573 6.629 40 0 JKABRN CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215726 569700408 /nfs/dbraw/zinc/70/04/08/569700408.db2.gz SCDKWIRTDDENPS-UHFFFAOYSA-N 0 0 461.603 5.643 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1)C1CCCCC1 ZINC000072215778 569700417 /nfs/dbraw/zinc/70/04/17/569700417.db2.gz NSWNCLVGJZOZPV-DEOSSOPVSA-N 0 0 463.622 6.523 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215830 569700430 /nfs/dbraw/zinc/70/04/30/569700430.db2.gz RIVNVDYUGDDZQA-OAQYLSRUSA-N 0 0 453.583 6.617 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CCCCC1 ZINC000072215718 569700443 /nfs/dbraw/zinc/70/04/43/569700443.db2.gz QUBIJGQDVPKVNH-DEOSSOPVSA-N 0 0 463.622 6.523 40 0 JKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccc(C(C)(C)C)cc4)c(C)c3s2)n1 ZINC000072228789 569700482 /nfs/dbraw/zinc/70/04/82/569700482.db2.gz SENNFTSCZZFREN-UHFFFAOYSA-N 0 0 462.619 6.031 40 0 JKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4cc(C)c(Cl)c(C)c4)c(C)c3s2)n1 ZINC000072228848 569700531 /nfs/dbraw/zinc/70/05/31/569700531.db2.gz ZMUWIASOCRVEDB-UHFFFAOYSA-N 0 0 469.010 6.003 40 0 JKABRN CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC000072216493 569700556 /nfs/dbraw/zinc/70/05/56/569700556.db2.gz QHZLQEAVCLNCFY-HSZRJFAPSA-N 0 0 480.609 5.003 40 0 JKABRN Cc1cc(C)n(-c2nc3c(s2)c(Cl)c(NC(=O)c2ccc(Cl)cc2)cc3Cl)n1 ZINC000072229011 569700593 /nfs/dbraw/zinc/70/05/93/569700593.db2.gz UYVGHKKCPMWOLM-UHFFFAOYSA-N 0 0 451.766 6.311 40 0 JKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c(C)c3s2)n1 ZINC000072228885 569700676 /nfs/dbraw/zinc/70/06/76/569700676.db2.gz RWSUJFNWYACIDU-UHFFFAOYSA-N 0 0 469.010 6.165 40 0 JKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230065 569700724 /nfs/dbraw/zinc/70/07/24/569700724.db2.gz RYWOMSIWCNUCTL-OAQYLSRUSA-N 0 0 450.749 6.054 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000072229917 569700748 /nfs/dbraw/zinc/70/07/48/569700748.db2.gz MAAYUSUOEDYZDT-QHCPKHFHSA-N 0 0 472.755 7.241 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000072229920 569700759 /nfs/dbraw/zinc/70/07/59/569700759.db2.gz OEUKYBFJAFBZNR-HSZRJFAPSA-N 0 0 472.755 7.241 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000072229918 569700771 /nfs/dbraw/zinc/70/07/71/569700771.db2.gz MAAYUSUOEDYZDT-HSZRJFAPSA-N 0 0 472.755 7.241 40 0 JKABRN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc4c(c3)OCO4)cc12 ZINC000035533893 569701202 /nfs/dbraw/zinc/70/12/02/569701202.db2.gz BOTKAUPSKJQOJX-UHFFFAOYSA-N 0 0 450.926 5.006 40 0 JKABRN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(C(C)(C)C)cc3)cc12 ZINC000035533890 569701210 /nfs/dbraw/zinc/70/12/10/569701210.db2.gz VRAMWOVQMBJPLE-UHFFFAOYSA-N 0 0 463.025 6.574 40 0 JKABRN CCOc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 ZINC000035533885 569701224 /nfs/dbraw/zinc/70/12/24/569701224.db2.gz YXFJMKKYJFDKMJ-UHFFFAOYSA-N 0 0 450.970 5.676 40 0 JKABRN Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(Oc5ccccc5)cc4)cc23)cc1 ZINC000035533916 569701294 /nfs/dbraw/zinc/70/12/94/569701294.db2.gz LYESPQYFCZUPRO-UHFFFAOYSA-N 0 0 498.586 7.094 40 0 JKABRN O=c1[nH]c2c(cc1CNc1ccc(C3CCCCC3)cc1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000035533928 569701335 /nfs/dbraw/zinc/70/13/35/569701335.db2.gz QLXCMPVZRLEGLO-UHFFFAOYSA-N 0 0 492.598 7.180 40 0 JKABRN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000035544434 569702417 /nfs/dbraw/zinc/70/24/17/569702417.db2.gz JQTUDHGRHRNGGP-JLHGSKIFSA-N 0 0 464.993 5.961 40 0 JKABRN CCOc1ccc(NCc2cc3c(-c4ccc(OC)c(OC)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000072336320 569703373 /nfs/dbraw/zinc/70/33/73/569703373.db2.gz SLWNKTXSUISOBN-UHFFFAOYSA-N 0 0 496.567 5.409 40 0 JKABRN O=C(CSc1nnc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000072341219 569703380 /nfs/dbraw/zinc/70/33/80/569703380.db2.gz XLTSASJDIJVYRS-UHFFFAOYSA-N 0 0 484.364 5.899 40 0 JKABRN COc1ccc2[nH]c(C)c(C(=O)CSc3nnc(-c4ccsc4)c(-c4ccsc4)n3)c2c1 ZINC000072338742 569703411 /nfs/dbraw/zinc/70/34/11/569703411.db2.gz JPRYKMGGPQHYSZ-UHFFFAOYSA-N 0 0 478.624 6.102 40 0 JKABRN O=C(CSc1nnc(-c2ccsc2)c(-c2ccsc2)n1)c1ccc(-c2ccccc2)cc1 ZINC000072338733 569703452 /nfs/dbraw/zinc/70/34/52/569703452.db2.gz OTMMHWLEHNYOON-UHFFFAOYSA-N 0 0 471.632 6.971 40 0 JKABRN CC(C)(C)OC(=O)N1CC[C@@H](c2nc(Nc3cccc(C(F)(F)F)c3)cc(-c3ccncc3)n2)C1 ZINC000072341350 569703481 /nfs/dbraw/zinc/70/34/81/569703481.db2.gz ZKUYDTYHHBDQMV-QGZVFWFLSA-N 0 0 485.510 6.025 40 0 JKABRN COc1ccc(C(F)(F)F)cc1Nc1nc(-c2ccncc2)nc2c1CN(C(=O)C(C)(C)C)CC2 ZINC000072341355 569703490 /nfs/dbraw/zinc/70/34/90/569703490.db2.gz ONEBVTVRAHEVSJ-UHFFFAOYSA-N 0 0 485.510 5.240 40 0 JKABRN CC(C)(C)C(=O)N1CCc2nc(-c3ccncc3)nc(Nc3ccc(F)cc3C(F)(F)F)c2C1 ZINC000072341357 569703547 /nfs/dbraw/zinc/70/35/47/569703547.db2.gz DZVZAZLYJFZFQE-UHFFFAOYSA-N 0 0 473.474 5.371 40 0 JKABRN COc1ccc(-c2nc3c(o2)c(C)c(Br)c(N)c3Br)cc1Br ZINC000073639528 569704525 /nfs/dbraw/zinc/70/45/25/569704525.db2.gz UTIWWQQHYWFQNJ-UHFFFAOYSA-N 0 0 490.977 5.682 40 0 JKABRN CCc1c2oc(-c3ccccc3Br)nc2c(Br)c(N)c1Br ZINC000073642737 569704666 /nfs/dbraw/zinc/70/46/66/569704666.db2.gz AYAOECNSABBXME-UHFFFAOYSA-N 0 0 474.978 5.927 40 0 JKABRN Fc1ccc(CN(Cc2nc(C(F)(F)F)c[nH]2)Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000035572468 569704888 /nfs/dbraw/zinc/70/48/88/569704888.db2.gz LSGIKALAEWJAFI-UHFFFAOYSA-N 0 0 469.482 6.349 40 0 JKABRN COc1cc(CCNC(=O)Cc2ccc(OCc3ccccc3)c(O)c2)ccc1OCc1ccccc1 ZINC000077273002 569705360 /nfs/dbraw/zinc/70/53/60/569705360.db2.gz FJKXBNPFQCEMRZ-UHFFFAOYSA-N 0 0 497.591 5.460 40 0 in-vitro JKABRN CCS[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000077292292 569705572 /nfs/dbraw/zinc/70/55/72/569705572.db2.gz JDBLGLZAAWCNMD-SDPIAUFMSA-N 0 0 492.637 5.749 40 0 in-vitro JKABRN C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1cccc(O)c1)CC(=O)O3 ZINC000079191305 569707196 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ONSLCKWIYPZTSG-BDTNDASRSA-N 0 0 453.325 5.353 40 0 JKABRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000100931268 569776244 /nfs/dbraw/zinc/77/62/44/569776244.db2.gz HYGAUVLNAWWTMG-ONTIZHBOSA-N 0 0 469.324 5.053 40 0 JKABRN Cn1ccnc1SCC(=O)N1C[C@@]2(CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)OC1(C)C ZINC000036559343 569776500 /nfs/dbraw/zinc/77/65/00/569776500.db2.gz LIZKCSLUUVROPR-GFBAHBLASA-N 0 0 499.765 6.279 40 0 JKABRN Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1Cl ZINC000100935332 569776559 /nfs/dbraw/zinc/77/65/59/569776559.db2.gz KGDAWQUMZNCGLS-NXCFDTQHSA-N 0 0 468.940 5.853 40 0 JKABRN COCc1cc(C)nc2oc([C@H](c3ccc(C)o3)c3ccccc3)c(NC(=O)c3ccccc3)c21 ZINC000036559022 569776581 /nfs/dbraw/zinc/77/65/81/569776581.db2.gz WGIAUQHWDIFHBY-DEOSSOPVSA-N 0 0 466.537 6.617 40 0 JKABRN Cc1cc(C)c(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)c(C)c1 ZINC000100949531 569777709 /nfs/dbraw/zinc/77/77/09/569777709.db2.gz WHEUFGRVKOTSBF-PKXQUSJVSA-N 0 0 462.549 5.816 40 0 JKABRN O=C1c2[nH]nc(-c3ccc(Br)cc3)c2[C@@H](c2cccnc2)N1CCc1c[nH]c2ccccc12 ZINC000036619664 569778650 /nfs/dbraw/zinc/77/86/50/569778650.db2.gz UXASLKSRFBYUDI-RUZDIDTESA-N 0 0 498.384 5.503 40 0 JKABRN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O[C@H]4C[C@@H](C)CC[C@@H]4C(C)C)c3n2)cc1 ZINC000036621010 569778653 /nfs/dbraw/zinc/77/86/53/569778653.db2.gz QLSXFBYLNAQCMO-CDXJDZJCSA-N 0 0 459.512 6.341 40 0 JKABRN ClC1=CC2[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C1[C@H]1C3c4ccccc4C(c4ccccc43)[C@H]21 ZINC000101009904 569779099 /nfs/dbraw/zinc/77/90/99/569779099.db2.gz KAXAVPHOMPMETI-NOTRDPCHSA-N 0 0 495.065 8.416 40 0 JKABRN CCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](Cc4ccccc4)[C@@H]3C2=O)cc1 ZINC000101030380 569780190 /nfs/dbraw/zinc/78/01/90/569780190.db2.gz IPFLJDRUQGGQBC-QKDODKLFSA-N 0 0 470.569 5.177 40 0 JKABRN CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101039320 569780342 /nfs/dbraw/zinc/78/03/42/569780342.db2.gz ATXDEDKBOFKTTG-DSITVLBTSA-N 0 0 460.505 5.056 40 0 JKABRN CCCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccs3)C2=O)cc1 ZINC000101038544 569780357 /nfs/dbraw/zinc/78/03/57/569780357.db2.gz ZJEZDPAHFJVQDT-SMIHKQSGSA-N 0 0 462.571 5.368 40 0 JKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000036749004 569780524 /nfs/dbraw/zinc/78/05/24/569780524.db2.gz GVWKVYILUMYCMG-RBDMOPTHSA-N 0 0 491.600 6.636 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000036749000 569780544 /nfs/dbraw/zinc/78/05/44/569780544.db2.gz GVWKVYILUMYCMG-UCNVEGJOSA-N 0 0 491.600 6.636 40 0 JKABRN Clc1ccc([C@@H](c2ccccc2)N2CCN(c3ncnc4c3cnn4Cc3ccccc3)CC2)cc1 ZINC000036729318 569780573 /nfs/dbraw/zinc/78/05/73/569780573.db2.gz LRQVVOIYJXKCHO-HHHXNRCGSA-N 0 0 495.030 5.440 40 0 JKABRN COc1ccc(NC(=O)Cn2c(=O)sc3c2S[C@@H]2[C@H]([C@@H]4CC[C@H]2C4)[C@H]3c2cccs2)cc1 ZINC000037117882 569781348 /nfs/dbraw/zinc/78/13/48/569781348.db2.gz 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CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1Cl ZINC000038757130 569807380 /nfs/dbraw/zinc/80/73/80/569807380.db2.gz LMDIRHNLCBKMLJ-UHFFFAOYSA-N 0 0 493.368 5.223 40 0 JKABRN O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000038757006 569807395 /nfs/dbraw/zinc/80/73/95/569807395.db2.gz NVHCDVDHKVNYDT-UHFFFAOYSA-N 0 0 462.493 5.009 40 0 JKABRN CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000038771599 569807491 /nfs/dbraw/zinc/80/74/91/569807491.db2.gz CTZZPRAQDUKRCV-FQEVSTJZSA-N 0 0 482.671 5.732 40 0 JKABRN CCSc1ccccc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000038771290 569807523 /nfs/dbraw/zinc/80/75/23/569807523.db2.gz YKWFRZVKBUDALN-UHFFFAOYSA-N 0 0 475.035 5.671 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 ZINC000038771514 569807524 /nfs/dbraw/zinc/80/75/24/569807524.db2.gz DHGCFEMMBOPNHA-NDEPHWFRSA-N 0 0 484.621 5.648 40 0 JKABRN Cc1ccc(CN(c2ccc(C(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 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CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102740025 569819199 /nfs/dbraw/zinc/81/91/99/569819199.db2.gz HRXCMALIDFAQLU-UODIDJSMSA-N 0 0 490.531 5.064 40 0 JKABRN CCCOc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102750879 569820762 /nfs/dbraw/zinc/82/07/62/569820762.db2.gz WYSNQLAPGDPWBR-KWXIBIRDSA-N 0 0 486.568 5.234 40 0 JKABRN CCCOc1ccc([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102749607 569820916 /nfs/dbraw/zinc/82/09/16/569820916.db2.gz RWOJXXMELXBCQV-KWXIBIRDSA-N 0 0 486.568 5.234 40 0 JKABRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102753224 569821085 /nfs/dbraw/zinc/82/10/85/569821085.db2.gz LBUYNAOGDHTSOT-FUPPJEDESA-N 0 0 499.350 5.149 40 0 JKABRN Cc1[nH]c2ccccc2c1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102755040 569821413 /nfs/dbraw/zinc/82/14/13/569821413.db2.gz ZJLRIAFKGZDUFS-KMDXXIMOSA-N 0 0 492.362 5.834 40 0 JKABRN CCCOc1ccc([C@H]2c3c(O)n(-c4ccc(CC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000102759281 569821549 /nfs/dbraw/zinc/82/15/49/569821549.db2.gz XYZIWRRLWQCUOS-KWXIBIRDSA-N 0 0 486.568 5.098 40 0 JKABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(OC(F)(F)F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000102760642 569822094 /nfs/dbraw/zinc/82/20/94/569822094.db2.gz ZYRXTCLITDHOAN-NJYVYQBISA-N 0 0 488.849 5.290 40 0 JKABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000102763171 569822485 /nfs/dbraw/zinc/82/24/85/569822485.db2.gz VMZODESNPGWALM-HBMCJLEFSA-N 0 0 472.850 5.410 40 0 JKABRN O=C1[C@@H]2[C@H](c3cccc(C(F)(F)F)c3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102765907 569822854 /nfs/dbraw/zinc/82/28/54/569822854.db2.gz IDXWPVHIESARKE-HKBOAZHASA-N 0 0 472.850 5.410 40 0 JKABRN Cc1nc2nc(N3c4ccccc4C[C@@H]3C)[nH]c(=O)c2c(=S)n1-c1ccc(Cl)c(Cl)c1 ZINC000040386936 569824355 /nfs/dbraw/zinc/82/43/55/569824355.db2.gz APYQYXGFAXJFNU-NSHDSACASA-N 0 0 470.385 5.536 40 0 JKABRN C[C@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc(Cl)c(Cl)c3)c(=S)c2c(=O)[nH]1 ZINC000040385800 569824364 /nfs/dbraw/zinc/82/43/64/569824364.db2.gz BLLCKBWEULJDSR-NSHDSACASA-N 0 0 456.358 5.228 40 0 JKABRN C[C@@H]1Cc2ccccc2N1c1nc2ncn(-c3cc(Cl)cc(Cl)c3)c(=S)c2c(=O)[nH]1 ZINC000040385803 569824383 /nfs/dbraw/zinc/82/43/83/569824383.db2.gz ZYQVQVJPZPERMH-LLVKDONJSA-N 0 0 456.358 5.228 40 0 JKABRN Cc1nc2nc(N3c4ccccc4C[C@H]3C)[nH]c(=O)c2c(=S)n1-c1ccc2ccccc2c1 ZINC000040386945 569824478 /nfs/dbraw/zinc/82/44/78/569824478.db2.gz KKTCQLNJFMHPIU-OAHLLOKOSA-N 0 0 451.555 5.383 40 0 JKABRN Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(C)cc45)ccc32)c1-c1ccc(Cl)cc1 ZINC000040396010 569825521 /nfs/dbraw/zinc/82/55/21/569825521.db2.gz AMVNQYWJYXLIMW-UHFFFAOYSA-N 0 0 468.948 5.100 40 0 JKABRN O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1c[nH]c2ccc(F)cc12 ZINC000040397329 569825731 /nfs/dbraw/zinc/82/57/31/569825731.db2.gz IYQBNKRVBXBCSY-UHFFFAOYSA-N 0 0 457.896 5.228 40 0 JKABRN O=C(Nn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O)c1ccc(Cl)cc1Cl ZINC000040397369 569825815 /nfs/dbraw/zinc/82/58/15/569825815.db2.gz YWOFMQKAVYBSJO-UHFFFAOYSA-N 0 0 484.730 5.055 40 0 JKABRN COCc1nn2c(ncc3c2ccn(Cc2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397770 569825821 /nfs/dbraw/zinc/82/58/21/569825821.db2.gz ILZZLLBXVBTXAG-UHFFFAOYSA-N 0 0 465.340 5.213 40 0 JKABRN CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1 ZINC000040399542 569826797 /nfs/dbraw/zinc/82/67/97/569826797.db2.gz LHGIVBBDKHYUJN-HNNXBMFYSA-N 0 0 486.359 5.008 40 0 JKABRN COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCCCC[C@@H]4[C@@H]3C2=O)cc1 ZINC000102959142 569829928 /nfs/dbraw/zinc/82/99/28/569829928.db2.gz NXBKXOJXZYWTER-XQVMISGQSA-N 0 0 470.613 6.688 40 0 JKABRN Fc1ccccc1-c1cs/c(=N/c2ccccc2Cl)n1Cc1ccc(Cl)cc1Cl ZINC000102962681 569830197 /nfs/dbraw/zinc/83/01/97/569830197.db2.gz AZEIXPMEHKPIEP-HPNDGRJYSA-N 0 0 463.792 7.597 40 0 JKABRN Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1-c1csc(NC[C@H]2CCCO2)n1 ZINC000040556494 569830223 /nfs/dbraw/zinc/83/02/23/569830223.db2.gz KBSXTLANOMDXOP-CQSZACIVSA-N 0 0 468.526 5.437 40 0 JKABRN Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1-c1csc(NCc2ccco2)n1 ZINC000040556492 569830225 /nfs/dbraw/zinc/83/02/25/569830225.db2.gz MUGMQEVQRWHBNP-UHFFFAOYSA-N 0 0 464.494 6.051 40 0 JKABRN Cc1nn(-c2ccccc2)c2c1[C@]1(C=C(C)O2)Nc2cc(C(C)(C)C)cc(Br)c2O1 ZINC000040546020 569830236 /nfs/dbraw/zinc/83/02/36/569830236.db2.gz ASQGSVWCJDFAHK-XMMPIXPASA-N 0 0 466.379 6.194 40 0 JKABRN CC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)C[C@@H]4CCCCO4)nc3C)cs2)c1 ZINC000040556447 569830261 /nfs/dbraw/zinc/83/02/61/569830261.db2.gz XXLZWIIGVFIIOR-KRWDZBQOSA-N 0 0 456.593 5.419 40 0 JKABRN CCOC(=O)c1ccc(/N=c2/scc(-c3cccc(Br)c3)n2CCOC)cc1 ZINC000102962781 569830276 /nfs/dbraw/zinc/83/02/76/569830276.db2.gz AIZCLMWOHGZJJF-XTQSDGFTSA-N 0 0 461.381 5.035 40 0 JKABRN Cc1nc(Nc2c(C)cccc2C)sc1C(=O)C=C(O)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000102966917 569830278 /nfs/dbraw/zinc/83/02/78/569830278.db2.gz 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ZINC000107038952 569856175 /nfs/dbraw/zinc/85/61/75/569856175.db2.gz HFTGTMYXYLTWRK-UHFFFAOYSA-N 0 0 471.609 7.600 40 0 JKABRN Fc1ccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1Cl ZINC000107043350 569856191 /nfs/dbraw/zinc/85/61/91/569856191.db2.gz SDLBXJYHHNSSAF-UHFFFAOYSA-N 0 0 460.763 8.130 40 0 JKABRN Fc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1Cl ZINC000107043356 569856228 /nfs/dbraw/zinc/85/62/28/569856228.db2.gz GOEWNYMGJMLZNA-UHFFFAOYSA-N 0 0 455.154 7.086 40 0 JKABRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000107573231 569856565 /nfs/dbraw/zinc/85/65/65/569856565.db2.gz DYJWVGQLZHNOLK-UHFFFAOYSA-N 0 0 479.631 5.348 40 0 JKABRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000107590657 569856637 /nfs/dbraw/zinc/85/66/37/569856637.db2.gz BUVADPRZAIACLB-MUUNZHRXSA-N 0 0 498.648 5.470 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nc(-c4cccc5ccccc54)cs3)o2)cc1C ZINC000107603532 569856710 /nfs/dbraw/zinc/85/67/10/569856710.db2.gz RPRUPTBTUBPQFD-UHFFFAOYSA-N 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Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)c(Cl)c1 ZINC000107653960 569856928 /nfs/dbraw/zinc/85/69/28/569856928.db2.gz DAUFQRGRTHRPQL-UHFFFAOYSA-N 0 0 473.872 6.877 40 0 JKABRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1Br ZINC000107679068 569856966 /nfs/dbraw/zinc/85/69/66/569856966.db2.gz XDESXZUXWPAVOZ-UHFFFAOYSA-N 0 0 454.707 6.128 40 0 JKABRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000107670113 569856973 /nfs/dbraw/zinc/85/69/73/569856973.db2.gz CUMBSFXIROOFEO-UHFFFAOYSA-N 0 0 488.451 6.046 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc([C@@H](CC(C)C)NC(=O)c3ccccc3Cl)n2C)cc1 ZINC000107700103 569857036 /nfs/dbraw/zinc/85/70/36/569857036.db2.gz SXLSVBJTNXBHRJ-HXUWFJFHSA-N 0 0 486.041 5.025 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc([C@H](CC(C)C)NC(=O)c3ccccc3Cl)n2C)cc1 ZINC000107700107 569857039 /nfs/dbraw/zinc/85/70/39/569857039.db2.gz SXLSVBJTNXBHRJ-FQEVSTJZSA-N 0 0 486.041 5.025 40 0 JKABRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000107699969 569857045 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/nfs/dbraw/zinc/85/76/70/569857670.db2.gz NYQWMXBUNIWBNJ-UHFFFAOYSA-N 0 0 466.651 6.163 40 0 JKABRN CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000107907309 569857841 /nfs/dbraw/zinc/85/78/41/569857841.db2.gz SYVUXAJXFOVXAY-SFHVURJKSA-N 0 0 483.852 6.195 40 0 JKABRN COc1c(Br)cc(C(=O)Nc2ccccc2Br)cc1OCc1ccccc1 ZINC000107912161 569857879 /nfs/dbraw/zinc/85/78/79/569857879.db2.gz QCOFVRSBYHYZNG-UHFFFAOYSA-N 0 0 491.179 6.052 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000107930787 569857957 /nfs/dbraw/zinc/85/79/57/569857957.db2.gz UTIYQDAZXLUTCE-UHFFFAOYSA-N 0 0 499.803 5.774 40 0 JKABRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)c(Br)c1 ZINC000107937361 569858027 /nfs/dbraw/zinc/85/80/27/569858027.db2.gz ZPSAAOCXGBDXGJ-XDHOZWIPSA-N 0 0 489.391 5.066 40 0 JKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000107947343 569858070 /nfs/dbraw/zinc/85/80/70/569858070.db2.gz IASWNCAVSMQHMZ-OAQYLSRUSA-N 0 0 488.968 5.835 40 0 JKABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC ZINC000107946337 569858071 /nfs/dbraw/zinc/85/80/71/569858071.db2.gz KKALOGFPFZIMNR-FGHSJCFPSA-N 0 0 484.376 6.555 40 0 JKABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2c(C)cccc2C(C)C)cc1C ZINC000107957970 569858099 /nfs/dbraw/zinc/85/80/99/569858099.db2.gz MPQWFJFYLQMYLG-UHFFFAOYSA-N 0 0 494.657 5.308 40 0 JKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000107955796 569858114 /nfs/dbraw/zinc/85/81/14/569858114.db2.gz ROVYJXIYDUIDFP-LJQANCHMSA-N 0 0 463.434 6.024 40 0 JKABRN CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc(Cl)cc2Cl)n1C ZINC000107974544 569858132 /nfs/dbraw/zinc/85/81/32/569858132.db2.gz SHSJRWQWKITJDD-SFHVURJKSA-N 0 0 483.852 6.195 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000107972026 569858140 /nfs/dbraw/zinc/85/81/40/569858140.db2.gz CEKNXBCXOQFMMI-UHFFFAOYSA-N 0 0 479.385 5.429 40 0 JKABRN CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc(Cl)cc2Cl)n1C ZINC000107974547 569858147 /nfs/dbraw/zinc/85/81/47/569858147.db2.gz SHSJRWQWKITJDD-GOSISDBHSA-N 0 0 483.852 6.195 40 0 JKABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000107999403 569858194 /nfs/dbraw/zinc/85/81/94/569858194.db2.gz OPMDWYPKWLKONV-UHFFFAOYSA-N 0 0 462.387 5.633 40 0 JKABRN S=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000107991459 569858221 /nfs/dbraw/zinc/85/82/21/569858221.db2.gz FKAAXVZHCDAEFW-UHFFFAOYSA-N 0 0 471.453 6.066 40 0 JKABRN O=C(COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl)Nc1ccc(F)cc1 ZINC000107994846 569858224 /nfs/dbraw/zinc/85/82/24/569858224.db2.gz LBIPNIDWXIADJY-UHFFFAOYSA-N 0 0 476.935 6.901 40 0 JKABRN CCOc1c(I)cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000107998867 569858234 /nfs/dbraw/zinc/85/82/34/569858234.db2.gz JJLLPJFELVHKGA-UHFFFAOYSA-N 0 0 489.309 5.743 40 0 JKABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC ZINC000108019084 569858261 /nfs/dbraw/zinc/85/82/61/569858261.db2.gz TWKNYPPTCFESLE-JFENUBAZSA-N 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ZINC000222490798 569884791 /nfs/dbraw/zinc/88/47/91/569884791.db2.gz PAGRYWCRTCDZAG-ZBLYBZFDSA-N 0 0 460.618 5.503 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C ZINC000222489950 569884796 /nfs/dbraw/zinc/88/47/96/569884796.db2.gz NKZVZHVLYLZZRS-VWLOTQADSA-N 0 0 479.020 5.228 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccccc1Cl ZINC000222494541 569884839 /nfs/dbraw/zinc/88/48/39/569884839.db2.gz GMSZNWXDKFMYNY-XMMPIXPASA-N 0 0 485.024 5.098 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCSc1ccc(Cl)cc1 ZINC000222495365 569884866 /nfs/dbraw/zinc/88/48/66/569884866.db2.gz IFIJICBTBKCGRJ-DEOSSOPVSA-N 0 0 485.024 5.347 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222498747 569884867 /nfs/dbraw/zinc/88/48/67/569884867.db2.gz ISJZVQJYNAZBLB-IIBYNOLFSA-N 0 0 481.420 5.103 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222496050 569884882 /nfs/dbraw/zinc/88/48/82/569884882.db2.gz LHLAIRPRYIEYNQ-AOMKIAJQSA-N 0 0 465.421 5.267 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1Cl ZINC000222502199 569884916 /nfs/dbraw/zinc/88/49/16/569884916.db2.gz LYWICCOODBWEMZ-MBSDFSHPSA-N 0 0 477.070 5.304 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222501931 569884929 /nfs/dbraw/zinc/88/49/29/569884929.db2.gz OMLZRXLIIVOTEG-OFVILXPXSA-N 0 0 470.679 5.267 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222501802 569884936 /nfs/dbraw/zinc/88/49/36/569884936.db2.gz OMLZRXLIIVOTEG-SQJMNOBHSA-N 0 0 470.679 5.267 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000222503971 569884948 /nfs/dbraw/zinc/88/49/48/569884948.db2.gz VZSFDKQVJUCYCP-GBXCKJPGSA-N 0 0 456.652 5.208 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1Cl ZINC000222502133 569884950 /nfs/dbraw/zinc/88/49/50/569884950.db2.gz LYWICCOODBWEMZ-JPYJTQIMSA-N 0 0 477.070 5.304 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000222505677 569884994 /nfs/dbraw/zinc/88/49/94/569884994.db2.gz DXRMSTSTOGQTRD-GAJHUEQPSA-N 0 0 495.060 5.443 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(Cl)cc1 ZINC000222506994 569884997 /nfs/dbraw/zinc/88/49/97/569884997.db2.gz HNSYAIJVIRQPIW-FQEVSTJZSA-N 0 0 453.435 5.418 40 0 JKABRN COc1cccc(CN(C(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000222520859 569885079 /nfs/dbraw/zinc/88/50/79/569885079.db2.gz ALTYUNYJHVSGBR-GDLZYMKVSA-N 0 0 484.640 5.327 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222524994 569885126 /nfs/dbraw/zinc/88/51/26/569885126.db2.gz CAPOJDVZUKJVRF-RUZDIDTESA-N 0 0 482.983 5.024 40 0 JKABRN COc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000222523518 569885160 /nfs/dbraw/zinc/88/51/60/569885160.db2.gz WUXZGHHNKWYWJP-PMERELPUSA-N 0 0 498.667 5.717 40 0 JKABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222532048 569885211 /nfs/dbraw/zinc/88/52/11/569885211.db2.gz JPPMDSNXNHNLAK-CYBMUJFWSA-N 0 0 459.826 5.043 40 0 JKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000222535653 569885236 /nfs/dbraw/zinc/88/52/36/569885236.db2.gz VPOCUFFCPGRNRQ-QGZVFWFLSA-N 0 0 451.950 6.426 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222532447 569885248 /nfs/dbraw/zinc/88/52/48/569885248.db2.gz MCXBAAUDRJFLLK-HFZDXXHNSA-N 0 0 466.666 5.647 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl ZINC000222540219 569885318 /nfs/dbraw/zinc/88/53/18/569885318.db2.gz MBXLXBGGEJGQBS-HSZRJFAPSA-N 0 0 473.375 5.061 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222539849 569885328 /nfs/dbraw/zinc/88/53/28/569885328.db2.gz VMXACIIASKXPSA-QHCPKHFHSA-N 0 0 473.375 5.061 40 0 JKABRN Cc1cccc(CN(C(=O)COc2cc(C)ccc2C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222539144 569885349 /nfs/dbraw/zinc/88/53/49/569885349.db2.gz YAKYPNBEYSROAR-NDEPHWFRSA-N 0 0 486.656 5.403 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222540182 569885350 /nfs/dbraw/zinc/88/53/50/569885350.db2.gz MKTZSFHIXPHGFV-NLFFAJNJSA-N 0 0 468.638 5.094 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222540247 569885363 /nfs/dbraw/zinc/88/53/63/569885363.db2.gz MKTZSFHIXPHGFV-CPJSRVTESA-N 0 0 468.638 5.094 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222539904 569885369 /nfs/dbraw/zinc/88/53/69/569885369.db2.gz FWNYGYCTJJVFCV-XXBNENTESA-N 0 0 475.029 5.066 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222541058 569885392 /nfs/dbraw/zinc/88/53/92/569885392.db2.gz NXBRBXZDMYDQNT-NRFANRHFSA-N 0 0 465.421 5.321 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222542784 569885464 /nfs/dbraw/zinc/88/54/64/569885464.db2.gz RGNXGFIVBMQNAH-MUAVYFROSA-N 0 0 486.656 5.939 40 0 JKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222542748 569885471 /nfs/dbraw/zinc/88/54/71/569885471.db2.gz MWNBOFISLXNKSG-HKBQPEDESA-N 0 0 498.711 6.463 40 0 JKABRN Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222544061 569885485 /nfs/dbraw/zinc/88/54/85/569885485.db2.gz ZBQLRFSMXKITRW-MUUNZHRXSA-N 0 0 491.075 5.993 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222543614 569885500 /nfs/dbraw/zinc/88/55/00/569885500.db2.gz SYEGEPHTZQSKHB-DEOSSOPVSA-N 0 0 485.024 5.098 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000222544598 569885515 /nfs/dbraw/zinc/88/55/15/569885515.db2.gz PMRXHEMFTNKGGT-OAQYLSRUSA-N 0 0 451.007 5.044 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222548467 569885534 /nfs/dbraw/zinc/88/55/34/569885534.db2.gz PQYCWYXEOUIXID-MHZLTWQESA-N 0 0 477.048 5.603 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)N[C@@H](C)CC)cc1OCC ZINC000222545999 569885556 /nfs/dbraw/zinc/88/55/56/569885556.db2.gz QKRAZKKQZMPLMG-SQJMNOBHSA-N 0 0 498.664 5.147 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)N[C@H](C)CC)cc1OCC ZINC000222546132 569885568 /nfs/dbraw/zinc/88/55/68/569885568.db2.gz QKRAZKKQZMPLMG-PXDATVDWSA-N 0 0 498.664 5.147 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)c2cc(C)ccc2C)cc1 ZINC000222547803 569885576 /nfs/dbraw/zinc/88/55/76/569885576.db2.gz BFDJFLURFSVZKD-UHFFFAOYSA-N 0 0 490.547 5.142 40 0 JKABRN Cc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222547715 569885579 /nfs/dbraw/zinc/88/55/79/569885579.db2.gz GDAQRHYDSHGUME-NDEPHWFRSA-N 0 0 486.656 5.403 40 0 JKABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000222549845 569885604 /nfs/dbraw/zinc/88/56/04/569885604.db2.gz YOUCJRXYPNULRG-MRXNPFEDSA-N 0 0 493.412 5.075 40 0 JKABRN Cc1ccc(CN(C(=O)CSCc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222551997 569885672 /nfs/dbraw/zinc/88/56/72/569885672.db2.gz XEVDADWXAMUIEC-MUUNZHRXSA-N 0 0 488.697 5.641 40 0 JKABRN Cc1ccc(CN(C(=O)CSc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222551517 569885676 /nfs/dbraw/zinc/88/56/76/569885676.db2.gz AZWKHMOVXMBXGP-HHHXNRCGSA-N 0 0 474.670 5.499 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222552635 569885711 /nfs/dbraw/zinc/88/57/11/569885711.db2.gz LORSPRORCVDVTN-IDISGSTGSA-N 0 0 460.618 5.503 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222558754 569885812 /nfs/dbraw/zinc/88/58/12/569885812.db2.gz GJDSUJOMFAPQBB-AOMKIAJQSA-N 0 0 465.421 5.267 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222558620 569885832 /nfs/dbraw/zinc/88/58/32/569885832.db2.gz GJDSUJOMFAPQBB-KSFYIVLOSA-N 0 0 465.421 5.267 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222559039 569885834 /nfs/dbraw/zinc/88/58/34/569885834.db2.gz NJBSSFBYKWVSOL-AOMKIAJQSA-N 0 0 465.421 5.267 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222561658 569885846 /nfs/dbraw/zinc/88/58/46/569885846.db2.gz NXVCJJXOPBTWKA-DYESRHJHSA-N 0 0 465.421 5.137 40 0 JKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSCc2ccccc2C)c1 ZINC000222563439 569885851 /nfs/dbraw/zinc/88/58/51/569885851.db2.gz BHCZBMHCHJAART-KQWNVCNZSA-N 0 0 450.629 5.185 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222566006 569885892 /nfs/dbraw/zinc/88/58/92/569885892.db2.gz RFIUZKKRMBHXPJ-CVDCTZTESA-N 0 0 461.071 5.338 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222565947 569885895 /nfs/dbraw/zinc/88/58/95/569885895.db2.gz RFIUZKKRMBHXPJ-XXBNENTESA-N 0 0 461.071 5.338 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222566677 569885911 /nfs/dbraw/zinc/88/59/11/569885911.db2.gz DQZKTVXBMFOWJY-AUSIDOKSSA-N 0 0 461.071 5.587 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000222565285 569885913 /nfs/dbraw/zinc/88/59/13/569885913.db2.gz XURYSDUDGOFFPG-WMZHIEFXSA-N 0 0 461.071 5.338 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222566745 569885929 /nfs/dbraw/zinc/88/59/29/569885929.db2.gz DQZKTVXBMFOWJY-WMZHIEFXSA-N 0 0 461.071 5.587 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222565874 569885938 /nfs/dbraw/zinc/88/59/38/569885938.db2.gz RFIUZKKRMBHXPJ-WMZHIEFXSA-N 0 0 461.071 5.338 40 0 JKABRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c2ccccc2O1 ZINC000222567428 569885947 /nfs/dbraw/zinc/88/59/47/569885947.db2.gz NGMAGHISWLWTLD-NRFANRHFSA-N 0 0 488.675 5.005 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222574736 569886093 /nfs/dbraw/zinc/88/60/93/569886093.db2.gz HMGJCHCQUGIXSU-AREMUKBSSA-N 0 0 493.047 5.440 40 0 JKABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Br)cc1OC(C)C ZINC000222575188 569886135 /nfs/dbraw/zinc/88/61/35/569886135.db2.gz TZYOKUIVBDELQU-QTJFZDIUSA-N 0 0 462.413 5.229 40 0 JKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222580069 569886203 /nfs/dbraw/zinc/88/62/03/569886203.db2.gz XGYPIJQDFGTILO-HKBQPEDESA-N 0 0 498.711 6.463 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222580214 569886253 /nfs/dbraw/zinc/88/62/53/569886253.db2.gz PMNCLMQWMBFROU-PMERELPUSA-N 0 0 494.610 5.734 40 0 JKABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@@H](C)CC(C)(C)c3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000222585459 569886310 /nfs/dbraw/zinc/88/63/10/569886310.db2.gz HIKMDJAFGWPJCE-QHCPKHFHSA-N 0 0 492.685 5.756 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222585922 569886325 /nfs/dbraw/zinc/88/63/25/569886325.db2.gz JJCLOGZHBSUPMM-DEOSSOPVSA-N 0 0 457.058 5.902 40 0 JKABRN Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222584117 569886326 /nfs/dbraw/zinc/88/63/26/569886326.db2.gz BGJLOJARXYPHBF-NDEPHWFRSA-N 0 0 472.629 5.095 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222587133 569886366 /nfs/dbraw/zinc/88/63/66/569886366.db2.gz NOYDCVHBTRPYNF-MUUNZHRXSA-N 0 0 456.630 5.258 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222587048 569886382 /nfs/dbraw/zinc/88/63/82/569886382.db2.gz NOYDCVHBTRPYNF-NDEPHWFRSA-N 0 0 456.630 5.258 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222587738 569886402 /nfs/dbraw/zinc/88/64/02/569886402.db2.gz UAPRFUDZRVXFII-NDEPHWFRSA-N 0 0 468.572 5.298 40 0 JKABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 ZINC000222588608 569886424 /nfs/dbraw/zinc/88/64/24/569886424.db2.gz LVIPHFZYWQCAPY-SANMLTNESA-N 0 0 495.088 5.844 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000222594686 569886543 /nfs/dbraw/zinc/88/65/43/569886543.db2.gz ITNHQEVKDGWFFP-OAQYLSRUSA-N 0 0 451.007 5.044 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222599872 569886654 /nfs/dbraw/zinc/88/66/54/569886654.db2.gz WTFRMTZEHPQTMJ-YKSBVNFPSA-N 0 0 459.030 5.264 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222599807 569886677 /nfs/dbraw/zinc/88/66/77/569886677.db2.gz WTFRMTZEHPQTMJ-GBXCKJPGSA-N 0 0 459.030 5.264 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222600584 569886694 /nfs/dbraw/zinc/88/66/94/569886694.db2.gz CUXCOHBYUXCDIU-QFIPXVFZSA-N 0 0 481.489 6.198 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1F ZINC000222600809 569886709 /nfs/dbraw/zinc/88/67/09/569886709.db2.gz AMFUBYBGANKUIT-OAQYLSRUSA-N 0 0 451.007 5.044 40 0 JKABRN 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CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222852636 569892776 /nfs/dbraw/zinc/89/27/76/569892776.db2.gz AKALVOCFXGPYPR-JOCHJYFZSA-N 0 0 463.043 5.163 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1Cl ZINC000222852247 569892791 /nfs/dbraw/zinc/89/27/91/569892791.db2.gz JZRLNISZALEVSJ-INIZCTEOSA-N 0 0 451.394 5.013 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1OCC ZINC000222855430 569892819 /nfs/dbraw/zinc/89/28/19/569892819.db2.gz JHGUMHXLNNHLBF-LJQANCHMSA-N 0 0 489.056 5.402 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000222853635 569892842 /nfs/dbraw/zinc/89/28/42/569892842.db2.gz PPRLEBQESNBOCI-QFIPXVFZSA-N 0 0 481.033 5.053 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1F ZINC000222859995 569892919 /nfs/dbraw/zinc/89/29/19/569892919.db2.gz DNQHIXYMBPJCDB-MRXNPFEDSA-N 0 0 451.007 5.044 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCSc1ccc(Cl)cc1 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ZINC000222895690 569893819 /nfs/dbraw/zinc/89/38/19/569893819.db2.gz PJIYXIRRAWYQEN-LEWJYISDSA-N 0 0 456.409 5.795 40 0 JKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000222895966 569893834 /nfs/dbraw/zinc/89/38/34/569893834.db2.gz CTJYTGMBEKONNQ-VQTJNVASSA-N 0 0 460.372 5.626 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222896160 569893836 /nfs/dbraw/zinc/89/38/36/569893836.db2.gz ZCIYCXDCQLAOHT-LJQANCHMSA-N 0 0 489.591 5.051 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222900494 569893916 /nfs/dbraw/zinc/89/39/16/569893916.db2.gz YDBJSGUOJMAQOJ-OAHLLOKOSA-N 0 0 485.452 5.698 40 0 JKABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000222901449 569893935 /nfs/dbraw/zinc/89/39/35/569893935.db2.gz GLYLQFSSUNJYGQ-UTKZUKDTSA-N 0 0 479.042 5.002 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000222904552 569893977 /nfs/dbraw/zinc/89/39/77/569893977.db2.gz MXLJSKYDDKUCLS-CQSZACIVSA-N 0 0 471.812 5.358 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000222904483 569893986 /nfs/dbraw/zinc/89/39/86/569893986.db2.gz MXLJSKYDDKUCLS-AWEZNQCLSA-N 0 0 471.812 5.358 40 0 JKABRN C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000222906538 569894073 /nfs/dbraw/zinc/89/40/73/569894073.db2.gz JHSAWIICAJDDTA-ACSYHNTCSA-N 0 0 470.638 5.831 40 0 JKABRN Cc1cc(C)cc(CSCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222906122 569894076 /nfs/dbraw/zinc/89/40/76/569894076.db2.gz PYGHDJUNJJCBEG-SFHVURJKSA-N 0 0 495.516 6.175 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 ZINC000222906881 569894077 /nfs/dbraw/zinc/89/40/77/569894077.db2.gz GCUCENUANGJELC-MRXNPFEDSA-N 0 0 467.462 5.808 40 0 JKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC(C)C ZINC000222907079 569894101 /nfs/dbraw/zinc/89/41/01/569894101.db2.gz JHKTWNDJFBOHMF-RPWUZVMVSA-N 0 0 453.055 6.079 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222907233 569894112 /nfs/dbraw/zinc/89/41/12/569894112.db2.gz ARKRACOWLQYNMZ-QGZVFWFLSA-N 0 0 481.489 6.116 40 0 JKABRN C[C@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222910615 569894131 /nfs/dbraw/zinc/89/41/31/569894131.db2.gz XSNQGQHJHUCACO-IBGZPJMESA-N 0 0 483.033 5.292 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2cccc(C)c2)cc1 ZINC000222914310 569894238 /nfs/dbraw/zinc/89/42/38/569894238.db2.gz PDPURZVHMCRLDO-QFIPXVFZSA-N 0 0 476.642 5.255 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2ccccc2Cl)cc1 ZINC000222915093 569894283 /nfs/dbraw/zinc/89/42/83/569894283.db2.gz VNZVABYMXAVKJJ-FQEVSTJZSA-N 0 0 497.060 5.600 40 0 JKABRN C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000222916313 569894292 /nfs/dbraw/zinc/89/42/92/569894292.db2.gz AUMKWOFIQSONDR-KRWDZBQOSA-N 0 0 473.375 5.409 40 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CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222933315 569894782 /nfs/dbraw/zinc/89/47/82/569894782.db2.gz UGEUJCJBGWUMIU-MRXNPFEDSA-N 0 0 465.421 5.267 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222933164 569894786 /nfs/dbraw/zinc/89/47/86/569894786.db2.gz IFYXHUFDHXHJNX-QGZVFWFLSA-N 0 0 465.421 5.321 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSCc1ccccc1 ZINC000222933700 569894808 /nfs/dbraw/zinc/89/48/08/569894808.db2.gz GSLMPNTUZAZWJC-KRWDZBQOSA-N 0 0 481.489 5.949 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000222935470 569894861 /nfs/dbraw/zinc/89/48/61/569894861.db2.gz GQIOROJOTCFAHW-OAHLLOKOSA-N 0 0 485.452 5.698 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000222935417 569894893 /nfs/dbraw/zinc/89/48/93/569894893.db2.gz GQIOROJOTCFAHW-HNNXBMFYSA-N 0 0 485.452 5.698 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222936577 569894927 /nfs/dbraw/zinc/89/49/27/569894927.db2.gz NHYBTSHAEABUAP-QGZVFWFLSA-N 0 0 463.449 5.820 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222936524 569894945 /nfs/dbraw/zinc/89/49/45/569894945.db2.gz NHYBTSHAEABUAP-KRWDZBQOSA-N 0 0 463.449 5.820 40 0 JKABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000222939786 569894985 /nfs/dbraw/zinc/89/49/85/569894985.db2.gz XEIOICZYECNSGB-UHFFFAOYSA-N 0 0 464.631 5.021 40 0 JKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222939602 569894992 /nfs/dbraw/zinc/89/49/92/569894992.db2.gz ZIWRRKKPIKJETF-SFTDATJTSA-N 0 0 474.399 5.872 40 0 JKABRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)c(Br)c1 ZINC000222939995 569895029 /nfs/dbraw/zinc/89/50/29/569895029.db2.gz CPIOCDVPICTBNK-FCHUYYIVSA-N 0 0 470.436 6.041 40 0 JKABRN C[C@H](NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000222941450 569895031 /nfs/dbraw/zinc/89/50/31/569895031.db2.gz OOHQNZYCTMFGNE-IBGZPJMESA-N 0 0 480.605 5.162 40 0 JKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)(C)C ZINC000222941894 569895053 /nfs/dbraw/zinc/89/50/53/569895053.db2.gz KLGARWALTSOEMO-KRWDZBQOSA-N 0 0 479.448 5.828 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)cc1 ZINC000222943326 569895056 /nfs/dbraw/zinc/89/50/56/569895056.db2.gz ADAKEQAWWCWENA-FQEVSTJZSA-N 0 0 462.615 5.474 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1C ZINC000222942086 569895061 /nfs/dbraw/zinc/89/50/61/569895061.db2.gz AEJYRKKVHJDXMF-QGZVFWFLSA-N 0 0 465.421 5.321 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000222943499 569895116 /nfs/dbraw/zinc/89/51/16/569895116.db2.gz HJIDUVUEBRUCRG-CYBMUJFWSA-N 0 0 490.258 6.175 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2C)cc1 ZINC000222943822 569895149 /nfs/dbraw/zinc/89/51/49/569895149.db2.gz CUCIFPUUSQDOGU-HXUWFJFHSA-N 0 0 462.615 5.474 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1 ZINC000222946034 569895180 /nfs/dbraw/zinc/89/51/80/569895180.db2.gz QDMHQGOHEXTCJH-INIZCTEOSA-N 0 0 467.462 5.559 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000222950333 569895225 /nfs/dbraw/zinc/89/52/25/569895225.db2.gz MAJQNGBJUHUZFX-KRWDZBQOSA-N 0 0 467.462 5.560 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1c(F)cccc1Cl ZINC000222950819 569895265 /nfs/dbraw/zinc/89/52/65/569895265.db2.gz TUFKWVGKBPZIIZ-QGZVFWFLSA-N 0 0 451.007 5.046 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222951644 569895278 /nfs/dbraw/zinc/89/52/78/569895278.db2.gz DHEJRKKXABPRAB-BJKOFHAPSA-N 0 0 453.055 6.224 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222951543 569895290 /nfs/dbraw/zinc/89/52/90/569895290.db2.gz DHEJRKKXABPRAB-ZEQRLZLVSA-N 0 0 453.055 6.224 40 0 JKABRN 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C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1F ZINC000223826187 569924437 /nfs/dbraw/zinc/92/44/37/569924437.db2.gz SQOMUCYZSJEACF-KRWDZBQOSA-N 0 0 463.018 5.188 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1 ZINC000223826321 569924440 /nfs/dbraw/zinc/92/44/40/569924440.db2.gz XGKYJDCMNZFJLF-UIOOFZCWSA-N 0 0 454.599 5.757 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223827664 569924449 /nfs/dbraw/zinc/92/44/49/569924449.db2.gz UHTCOFUDNKGSDY-RPBOFIJWSA-N 0 0 458.562 5.587 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 ZINC000223827104 569924484 /nfs/dbraw/zinc/92/44/84/569924484.db2.gz BTCIKXBHWVGLLG-DQEYMECFSA-N 0 0 458.562 5.587 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223827611 569924491 /nfs/dbraw/zinc/92/44/91/569924491.db2.gz UHTCOFUDNKGSDY-DQEYMECFSA-N 0 0 458.562 5.587 40 0 JKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223827619 569924499 /nfs/dbraw/zinc/92/44/99/569924499.db2.gz FLQDZPWPDRINOM-IBGZPJMESA-N 0 0 457.014 5.318 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(OC)c2)cc1 ZINC000223828498 569924510 /nfs/dbraw/zinc/92/45/10/569924510.db2.gz NKKVOCXWWRNGFR-CLJLJLNGSA-N 0 0 470.598 5.457 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223829084 569924511 /nfs/dbraw/zinc/92/45/11/569924511.db2.gz JZEYCGNNQNKVRM-OAHLLOKOSA-N 0 0 451.369 5.151 40 0 JKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OCC)cc2)cc1 ZINC000223829042 569924512 /nfs/dbraw/zinc/92/45/12/569924512.db2.gz XFQMALSNBOYTFP-KAYWLYCHSA-N 0 0 484.625 5.847 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223828956 569924517 /nfs/dbraw/zinc/92/45/17/569924517.db2.gz FZXMHXXZOIAYOM-JWQCQUIFSA-N 0 0 456.571 5.154 40 0 JKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OCC)cc2)cc1 ZINC000223829163 569924538 /nfs/dbraw/zinc/92/45/38/569924538.db2.gz XFQMALSNBOYTFP-RRPNLBNLSA-N 0 0 484.625 5.847 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223828792 569924540 /nfs/dbraw/zinc/92/45/40/569924540.db2.gz OFBHYFXOJAOZEN-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(OC)cc2)cc1 ZINC000223828552 569924541 /nfs/dbraw/zinc/92/45/41/569924541.db2.gz YSPGQNJDEPEQQW-UIOOFZCWSA-N 0 0 470.598 5.457 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223830277 569924569 /nfs/dbraw/zinc/92/45/69/569924569.db2.gz HPELYODGCHXZAA-HNNXBMFYSA-N 0 0 483.823 5.502 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000223829235 569924599 /nfs/dbraw/zinc/92/45/99/569924599.db2.gz IHRFUHBMCJPYPP-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223832025 569924610 /nfs/dbraw/zinc/92/46/10/569924610.db2.gz CSJHGEDFLAOTLS-QGZVFWFLSA-N 0 0 479.473 5.703 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223831842 569924611 /nfs/dbraw/zinc/92/46/11/569924611.db2.gz UKQGVKWMCZUDFR-KRWDZBQOSA-N 0 0 479.473 5.703 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1Cl ZINC000223831758 569924617 /nfs/dbraw/zinc/92/46/17/569924617.db2.gz KQUHBQZDKGINGY-QGZVFWFLSA-N 0 0 479.473 5.703 40 0 JKABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000223831596 569924629 /nfs/dbraw/zinc/92/46/29/569924629.db2.gz DMVSJAAWYFSMGZ-UHFFFAOYSA-N 0 0 456.995 5.484 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223831097 569924633 /nfs/dbraw/zinc/92/46/33/569924633.db2.gz RHEGKRJKZHMKGS-MRXNPFEDSA-N 0 0 465.446 5.562 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223831967 569924638 /nfs/dbraw/zinc/92/46/38/569924638.db2.gz CSJHGEDFLAOTLS-KRWDZBQOSA-N 0 0 479.473 5.703 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223832331 569924651 /nfs/dbraw/zinc/92/46/51/569924651.db2.gz SKLUQVNXPYNKTC-RPBOFIJWSA-N 0 0 459.546 6.057 40 0 JKABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OCC)cc3)o2)cc1 ZINC000223833306 569924654 /nfs/dbraw/zinc/92/46/54/569924654.db2.gz KSXXNNQYMTZOBJ-SXOMAYOGSA-N 0 0 485.609 6.316 40 0 JKABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OCC)cc3)o2)cc1 ZINC000223833256 569924660 /nfs/dbraw/zinc/92/46/60/569924660.db2.gz KSXXNNQYMTZOBJ-KAYWLYCHSA-N 0 0 485.609 6.316 40 0 JKABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223832746 569924671 /nfs/dbraw/zinc/92/46/71/569924671.db2.gz PLLWTUVMCJJZBE-HXUWFJFHSA-N 0 0 465.059 5.485 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223832431 569924676 /nfs/dbraw/zinc/92/46/76/569924676.db2.gz BHHDOJXDTQDIPI-QGZVFWFLSA-N 0 0 479.473 5.952 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223832680 569924685 /nfs/dbraw/zinc/92/46/85/569924685.db2.gz ROLPBXKTWFGGGE-LJQANCHMSA-N 0 0 459.055 5.607 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223835284 569924751 /nfs/dbraw/zinc/92/47/51/569924751.db2.gz KILIFJJIJWSPHB-INIZCTEOSA-N 0 0 453.435 5.088 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)OC)c2)cc1 ZINC000223840864 569924809 /nfs/dbraw/zinc/92/48/09/569924809.db2.gz JQTBIRHTRLVTQY-IZZNHLLZSA-N 0 0 498.608 5.235 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)OC)cc2)cc1 ZINC000223841046 569924825 /nfs/dbraw/zinc/92/48/25/569924825.db2.gz RYMMEQGYFJZIMG-FTJBHMTQSA-N 0 0 498.608 5.235 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223839470 569924841 /nfs/dbraw/zinc/92/48/41/569924841.db2.gz LIHXJTWPJSULAK-OAHLLOKOSA-N 0 0 487.880 5.824 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C(=O)OC)cc1 ZINC000223840675 569924849 /nfs/dbraw/zinc/92/48/49/569924849.db2.gz MICCNXKBCRHOIL-CLJLJLNGSA-N 0 0 498.608 5.235 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1Cl ZINC000223842197 569924891 /nfs/dbraw/zinc/92/48/91/569924891.db2.gz DHMRNERBSLQPJW-FQEVSTJZSA-N 0 0 485.839 5.749 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223844181 569924941 /nfs/dbraw/zinc/92/49/41/569924941.db2.gz WCAWRYLTLQWRFM-HSZRJFAPSA-N 0 0 493.475 6.021 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223846347 569924957 /nfs/dbraw/zinc/92/49/57/569924957.db2.gz SSMULHZUVIYUOZ-JOCHJYFZSA-N 0 0 465.421 5.268 40 0 JKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223846165 569924987 /nfs/dbraw/zinc/92/49/87/569924987.db2.gz HJWIPLWVFFCDBO-IZZNHLLZSA-N 0 0 489.044 6.334 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1 ZINC000223849218 569925021 /nfs/dbraw/zinc/92/50/21/569925021.db2.gz DUEJPNCKBQGLTD-GOTSBHOMSA-N 0 0 464.953 5.548 40 0 JKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cc2Cl)cc1 ZINC000223850142 569925029 /nfs/dbraw/zinc/92/50/29/569925029.db2.gz WJQWWSXFICQNJC-DHIUTWEWSA-N 0 0 481.408 6.062 40 0 JKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)cc1 ZINC000223847879 569925039 /nfs/dbraw/zinc/92/50/39/569925039.db2.gz RJMJVTWNCOXICW-PKTZIBPZSA-N 0 0 469.595 5.365 40 0 JKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cc2Cl)cc1 ZINC000223850041 569925041 /nfs/dbraw/zinc/92/50/41/569925041.db2.gz WJQWWSXFICQNJC-PKTZIBPZSA-N 0 0 481.408 6.062 40 0 JKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2nc3ccccc3s2)cc1 ZINC000223847970 569925050 /nfs/dbraw/zinc/92/50/50/569925050.db2.gz RJMJVTWNCOXICW-DHIUTWEWSA-N 0 0 469.595 5.365 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1F ZINC000223851553 569925082 /nfs/dbraw/zinc/92/50/82/569925082.db2.gz WPEISULNQOIGHG-JOCHJYFZSA-N 0 0 499.479 6.089 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223851202 569925083 /nfs/dbraw/zinc/92/50/83/569925083.db2.gz KTNMZKGRDDYFAW-NRFANRHFSA-N 0 0 493.431 5.378 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223852663 569925094 /nfs/dbraw/zinc/92/50/94/569925094.db2.gz NRDICRHJSCYYNJ-OAQYLSRUSA-N 0 0 469.384 5.235 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223851151 569925108 /nfs/dbraw/zinc/92/51/08/569925108.db2.gz KTNMZKGRDDYFAW-OAQYLSRUSA-N 0 0 493.431 5.378 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000223853036 569925128 /nfs/dbraw/zinc/92/51/28/569925128.db2.gz JYBBWWJNMAVBPL-IBVKSMDESA-N 0 0 497.466 6.091 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223852974 569925163 /nfs/dbraw/zinc/92/51/63/569925163.db2.gz WPDJLSHMSCPBOB-QHCPKHFHSA-N 0 0 493.475 6.219 40 0 JKABRN Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223853025 569925177 /nfs/dbraw/zinc/92/51/77/569925177.db2.gz JVHOVSIRZXTSDM-RPWUZVMVSA-N 0 0 459.596 6.017 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223854294 569925187 /nfs/dbraw/zinc/92/51/87/569925187.db2.gz XMNODUKFSPZCQN-NRFANRHFSA-N 0 0 487.830 6.052 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1 ZINC000223855058 569925212 /nfs/dbraw/zinc/92/52/12/569925212.db2.gz KBUYCHWZPVQBPM-OAQYLSRUSA-N 0 0 451.394 5.096 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F ZINC000223854970 569925214 /nfs/dbraw/zinc/92/52/14/569925214.db2.gz TXAWCDVISAINDL-NRFANRHFSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223854831 569925231 /nfs/dbraw/zinc/92/52/31/569925231.db2.gz JUDJMBBTHJOJEZ-QHCPKHFHSA-N 0 0 463.449 5.876 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000223856837 569925251 /nfs/dbraw/zinc/92/52/51/569925251.db2.gz YXZBANAPVQILJF-IBGZPJMESA-N 0 0 459.055 5.439 40 0 JKABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223856694 569925262 /nfs/dbraw/zinc/92/52/62/569925262.db2.gz MRWMMANZOBNOJG-FQEVSTJZSA-N 0 0 457.014 5.120 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1 ZINC000223856420 569925275 /nfs/dbraw/zinc/92/52/75/569925275.db2.gz FFSJATCHYYJANV-JOCHJYFZSA-N 0 0 481.489 5.950 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223857162 569925323 /nfs/dbraw/zinc/92/53/23/569925323.db2.gz VPVXVXCEGMOXJI-QFIPXVFZSA-N 0 0 489.059 6.338 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223863180 569925502 /nfs/dbraw/zinc/92/55/02/569925502.db2.gz DKKKHYPJMNGJAH-QGZVFWFLSA-N 0 0 451.394 5.014 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1F ZINC000223863004 569925512 /nfs/dbraw/zinc/92/55/12/569925512.db2.gz OQENJHDKQTXBMS-KRWDZBQOSA-N 0 0 463.018 5.188 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223865580 569925545 /nfs/dbraw/zinc/92/55/45/569925545.db2.gz FGTKJXZVFITCAG-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223865841 569925547 /nfs/dbraw/zinc/92/55/47/569925547.db2.gz TVDCVYUJUXTATE-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223865383 569925581 /nfs/dbraw/zinc/92/55/81/569925581.db2.gz WQHZDTHXMPHKJB-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223866113 569925641 /nfs/dbraw/zinc/92/56/41/569925641.db2.gz QNQBHAFTIWXWRO-OAHLLOKOSA-N 0 0 471.812 5.196 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223868939 569925661 /nfs/dbraw/zinc/92/56/61/569925661.db2.gz YFZUKMVDMJTNOR-KRWDZBQOSA-N 0 0 463.018 5.437 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(F)(F)F)c2)cc1 ZINC000223867679 569925675 /nfs/dbraw/zinc/92/56/75/569925675.db2.gz DEJCEJVRYHXSAO-XZOQPEGZSA-N 0 0 480.515 5.774 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1Cl ZINC000223868276 569925686 /nfs/dbraw/zinc/92/56/86/569925686.db2.gz KXSHSCKTRXJTQA-KRWDZBQOSA-N 0 0 463.018 5.188 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1Cl ZINC000223868332 569925689 /nfs/dbraw/zinc/92/56/89/569925689.db2.gz KXSHSCKTRXJTQA-QGZVFWFLSA-N 0 0 463.018 5.188 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223869366 569925705 /nfs/dbraw/zinc/92/57/05/569925705.db2.gz BZHQQHPZPWCZCI-INIZCTEOSA-N 0 0 497.463 5.842 40 0 JKABRN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223869799 569925710 /nfs/dbraw/zinc/92/57/10/569925710.db2.gz SCEFKTKGZIRDRS-DQEYMECFSA-N 0 0 456.571 5.154 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223869915 569925750 /nfs/dbraw/zinc/92/57/50/569925750.db2.gz XHQRWWKFLQPCED-INIZCTEOSA-N 0 0 481.008 5.328 40 0 JKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000223874329 569925809 /nfs/dbraw/zinc/92/58/09/569925809.db2.gz HWKXYFKTDDINFT-DHIUTWEWSA-N 0 0 482.392 6.531 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000223874145 569925817 /nfs/dbraw/zinc/92/58/17/569925817.db2.gz HWKXYFKTDDINFT-GOTSBHOMSA-N 0 0 482.392 6.531 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223874101 569925837 /nfs/dbraw/zinc/92/58/37/569925837.db2.gz YOHJMOMERWMWHS-KRWDZBQOSA-N 0 0 457.401 5.633 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000223874505 569925842 /nfs/dbraw/zinc/92/58/42/569925842.db2.gz RGSPTAMBFVYUOO-XZOQPEGZSA-N 0 0 482.392 6.531 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000223874742 569925857 /nfs/dbraw/zinc/92/58/57/569925857.db2.gz DWJYPCWQWWBZBK-XZOQPEGZSA-N 0 0 482.392 6.531 40 0 JKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223875101 569925895 /nfs/dbraw/zinc/92/58/95/569925895.db2.gz KBCZVZPKKNQMEU-DNQXCXABSA-N 0 0 461.974 6.186 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000223875513 569925902 /nfs/dbraw/zinc/92/59/02/569925902.db2.gz DSQNDAZQJFXZFA-INIZCTEOSA-N 0 0 465.421 5.223 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000223877029 569925960 /nfs/dbraw/zinc/92/59/60/569925960.db2.gz BYEXROSANVJXMR-LBPRGKRZSA-N 0 0 462.204 5.396 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223878064 569925985 /nfs/dbraw/zinc/92/59/85/569925985.db2.gz DXOBDHPENZZVMR-LBPRGKRZSA-N 0 0 478.203 5.232 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223878767 569925995 /nfs/dbraw/zinc/92/59/95/569925995.db2.gz NKKNQWSGLHPILQ-CYBMUJFWSA-N 0 0 459.826 5.292 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223878009 569926006 /nfs/dbraw/zinc/92/60/06/569926006.db2.gz DXOBDHPENZZVMR-GFCCVEGCSA-N 0 0 478.203 5.232 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223879734 569926030 /nfs/dbraw/zinc/92/60/30/569926030.db2.gz FRCPCRHLRNPMPK-AWEZNQCLSA-N 0 0 473.853 5.433 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223880124 569926049 /nfs/dbraw/zinc/92/60/49/569926049.db2.gz RMKPKNOPDIHWTL-AWEZNQCLSA-N 0 0 473.853 5.682 40 0 JKABRN COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 ZINC000223881734 569926148 /nfs/dbraw/zinc/92/61/48/569926148.db2.gz AFIADQOJBVFHRY-ZEQRLZLVSA-N 0 0 471.538 5.011 40 0 JKABRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223881441 569926179 /nfs/dbraw/zinc/92/61/79/569926179.db2.gz ZPDXIKKLMNWDHE-BJKOFHAPSA-N 0 0 471.538 5.011 40 0 JKABRN COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223881388 569926182 /nfs/dbraw/zinc/92/61/82/569926182.db2.gz ZPDXIKKLMNWDHE-RPWUZVMVSA-N 0 0 471.538 5.011 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223883232 569926217 /nfs/dbraw/zinc/92/62/17/569926217.db2.gz AOXFQVUMVFTIPI-OAQYLSRUSA-N 0 0 469.840 5.913 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1Cc1cccnc1 ZINC000223886409 569926292 /nfs/dbraw/zinc/92/62/92/569926292.db2.gz MKYCVSFZEWIDGI-RRPNLBNLSA-N 0 0 482.657 5.186 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1Cl ZINC000223886896 569926305 /nfs/dbraw/zinc/92/63/05/569926305.db2.gz BYYAXDWEMRBSFW-HXUWFJFHSA-N 0 0 485.839 5.749 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1nccs1 ZINC000223886838 569926318 /nfs/dbraw/zinc/92/63/18/569926318.db2.gz SHZYLLKUVNKOCF-PKTZIBPZSA-N 0 0 474.659 5.189 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)cc1 ZINC000223887502 569926325 /nfs/dbraw/zinc/92/63/25/569926325.db2.gz NUHMCYVDGBOTMY-RPBOFIJWSA-N 0 0 496.665 5.725 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223886423 569926334 /nfs/dbraw/zinc/92/63/34/569926334.db2.gz GYSHCBGORWTUSG-QHCPKHFHSA-N 0 0 463.449 5.876 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1Cc1cccnc1 ZINC000223886463 569926338 /nfs/dbraw/zinc/92/63/38/569926338.db2.gz MKYCVSFZEWIDGI-SVBPBHIXSA-N 0 0 482.657 5.186 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1Cc1ccco1 ZINC000223888806 569926371 /nfs/dbraw/zinc/92/63/71/569926371.db2.gz HSFRVHXBNCEXPO-UIOOFZCWSA-N 0 0 471.630 5.384 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223888850 569926373 /nfs/dbraw/zinc/92/63/73/569926373.db2.gz KTPPQHWCVDJELD-XMMPIXPASA-N 0 0 493.475 6.219 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223889322 569926374 /nfs/dbraw/zinc/92/63/74/569926374.db2.gz ZTCOYBBZBKIVHJ-DQEYMECFSA-N 0 0 474.033 5.769 40 0 JKABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 ZINC000223889745 569926377 /nfs/dbraw/zinc/92/63/77/569926377.db2.gz LAUHAGWSPMRFAW-FTJBHMTQSA-N 0 0 453.615 5.424 40 0 JKABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223889178 569926383 /nfs/dbraw/zinc/92/63/83/569926383.db2.gz YVIJDDDKEWYSGO-FTJBHMTQSA-N 0 0 469.614 5.124 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223888979 569926385 /nfs/dbraw/zinc/92/63/85/569926385.db2.gz MSXPLTHOGKJIMP-HSZRJFAPSA-N 0 0 493.475 6.021 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1 ZINC000223888993 569926387 /nfs/dbraw/zinc/92/63/87/569926387.db2.gz URBLDRUPCLSSAO-LOSJGSFVSA-N 0 0 492.023 5.908 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223890614 569926403 /nfs/dbraw/zinc/92/64/03/569926403.db2.gz KCDKVBXZJMZDEJ-MRXNPFEDSA-N 0 0 497.886 5.528 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(OC)cc1 ZINC000223891286 569926411 /nfs/dbraw/zinc/92/64/11/569926411.db2.gz GKLCPALIYAOKPL-QFIPXVFZSA-N 0 0 465.421 5.268 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1Cl ZINC000223890024 569926413 /nfs/dbraw/zinc/92/64/13/569926413.db2.gz LFSNKDUSQIEGRW-INIZCTEOSA-N 0 0 497.886 5.279 40 0 JKABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 ZINC000223889778 569926437 /nfs/dbraw/zinc/92/64/37/569926437.db2.gz LAUHAGWSPMRFAW-IZZNHLLZSA-N 0 0 453.615 5.424 40 0 JKABRN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1 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/nfs/dbraw/zinc/92/65/43/569926543.db2.gz PAZISWPKCVPYFK-JOCHJYFZSA-N 0 0 483.867 6.303 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223897382 569926560 /nfs/dbraw/zinc/92/65/60/569926560.db2.gz PDZPBKGAXDVHAZ-OAQYLSRUSA-N 0 0 469.384 5.235 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1cccc(C)c1 ZINC000223896769 569926567 /nfs/dbraw/zinc/92/65/67/569926567.db2.gz AUDOSYSSUCOMES-QHCPKHFHSA-N 0 0 495.516 6.259 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000223897296 569926584 /nfs/dbraw/zinc/92/65/84/569926584.db2.gz NROBJATUMLXTOQ-FQEVSTJZSA-N 0 0 469.384 5.235 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000223897246 569926592 /nfs/dbraw/zinc/92/65/92/569926592.db2.gz NROBJATUMLXTOQ-HXUWFJFHSA-N 0 0 469.384 5.235 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223897438 569926596 /nfs/dbraw/zinc/92/65/96/569926596.db2.gz PDZPBKGAXDVHAZ-NRFANRHFSA-N 0 0 469.384 5.235 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000223898433 569926637 /nfs/dbraw/zinc/92/66/37/569926637.db2.gz NDJPWXJYEXYKAT-OAQYLSRUSA-N 0 0 469.840 5.913 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223899261 569926641 /nfs/dbraw/zinc/92/66/41/569926641.db2.gz OTZVGJJGLAVURE-MRXNPFEDSA-N 0 0 497.463 5.842 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000223899625 569926646 /nfs/dbraw/zinc/92/66/46/569926646.db2.gz SIIMRRRZFPBLHK-OAQYLSRUSA-N 0 0 453.385 5.399 40 0 JKABRN Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCC1 ZINC000223903860 569926755 /nfs/dbraw/zinc/92/67/55/569926755.db2.gz MAYBMLQLKVXCSC-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223903801 569926756 /nfs/dbraw/zinc/92/67/56/569926756.db2.gz MAYBMLQLKVXCSC-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1 ZINC000223903658 569926771 /nfs/dbraw/zinc/92/67/71/569926771.db2.gz UCJFEDFYOOFAMH-KRWDZBQOSA-N 0 0 479.473 5.703 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 ZINC000223904793 569926791 /nfs/dbraw/zinc/92/67/91/569926791.db2.gz SQXNTKUZPNVQIA-QGZVFWFLSA-N 0 0 479.473 5.952 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000223906040 569926802 /nfs/dbraw/zinc/92/68/02/569926802.db2.gz ZOSWDZSLUBUYFX-DQEYMECFSA-N 0 0 457.578 5.255 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000223906096 569926835 /nfs/dbraw/zinc/92/68/35/569926835.db2.gz ZOSWDZSLUBUYFX-RPBOFIJWSA-N 0 0 457.578 5.255 40 0 JKABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223905399 569926851 /nfs/dbraw/zinc/92/68/51/569926851.db2.gz FLACIWSKONIODM-RRPNLBNLSA-N 0 0 482.657 5.181 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223906578 569926874 /nfs/dbraw/zinc/92/68/74/569926874.db2.gz UFGQWONIWSVSBD-QGZVFWFLSA-N 0 0 451.394 5.014 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223906767 569926875 /nfs/dbraw/zinc/92/68/75/569926875.db2.gz FFIWGUSYJJFASL-HNNXBMFYSA-N 0 0 471.812 5.359 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000223909383 569926910 /nfs/dbraw/zinc/92/69/10/569926910.db2.gz FRUUMHPTEQCJAH-DNQXCXABSA-N 0 0 475.021 5.164 40 0 JKABRN CCCC[C@H](CC)CNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 ZINC000223908448 569926918 /nfs/dbraw/zinc/92/69/18/569926918.db2.gz FXGVGDOBNTUUJW-FQEVSTJZSA-N 0 0 492.707 5.335 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223908824 569926924 /nfs/dbraw/zinc/92/69/24/569926924.db2.gz JDOJFHXERSMGNQ-IBVKSMDESA-N 0 0 497.466 6.091 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000223909255 569926934 /nfs/dbraw/zinc/92/69/34/569926934.db2.gz FRUUMHPTEQCJAH-ZEQRLZLVSA-N 0 0 475.021 5.164 40 0 JKABRN CCOc1ccccc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c1ccc(SC)cc1 ZINC000223908122 569926938 /nfs/dbraw/zinc/92/69/38/569926938.db2.gz PZVXJEIWTCZANE-UHFFFAOYSA-N 0 0 492.707 5.334 40 0 JKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1C ZINC000223908841 569926954 /nfs/dbraw/zinc/92/69/54/569926954.db2.gz DITYEZSJHLGJRX-SXOMAYOGSA-N 0 0 467.642 5.732 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223908772 569926955 /nfs/dbraw/zinc/92/69/55/569926955.db2.gz JDOJFHXERSMGNQ-RXFWQSSRSA-N 0 0 497.466 6.091 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc3ccccc3c2)cc1 ZINC000223909613 569926960 /nfs/dbraw/zinc/92/69/60/569926960.db2.gz NCIVRLVIGQGBTA-FQLXRVMXSA-N 0 0 489.648 6.269 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223910876 569926990 /nfs/dbraw/zinc/92/69/90/569926990.db2.gz ISCFIBBKIYUSNM-IBGZPJMESA-N 0 0 483.439 6.069 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000223910911 569926995 /nfs/dbraw/zinc/92/69/95/569926995.db2.gz UKRGDDVMIFYHIG-RPBOFIJWSA-N 0 0 475.017 6.238 40 0 JKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1 ZINC000223911677 569927021 /nfs/dbraw/zinc/92/70/21/569927021.db2.gz SKMOXLJWCHDECZ-RRPNLBNLSA-N 0 0 484.625 5.983 40 0 JKABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ncc(Br)cc1Cl ZINC000223912905 569927089 /nfs/dbraw/zinc/92/70/89/569927089.db2.gz QCSATHRHANUVFV-UHFFFAOYSA-N 0 0 457.180 5.898 40 0 JKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223913415 569927098 /nfs/dbraw/zinc/92/70/98/569927098.db2.gz YBKAYHIFNYCQIZ-CLJLJLNGSA-N 0 0 489.044 6.547 40 0 JKABRN Cc1cccc(N(CC(=O)Nc2ccc3c4c(cccc42)CC3)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223916104 569927120 /nfs/dbraw/zinc/92/71/20/569927120.db2.gz FOUKZMABWWVVFW-UHFFFAOYSA-N 0 0 491.012 5.734 40 0 JKABRN C[C@@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)C1 ZINC000223916462 569927148 /nfs/dbraw/zinc/92/71/48/569927148.db2.gz DOACLFAYVSTDHO-CALCHBBNSA-N 0 0 455.027 5.964 40 0 JKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223916819 569927170 /nfs/dbraw/zinc/92/71/70/569927170.db2.gz FFASLPKIVVBCBG-VSGBNLITSA-N 0 0 481.669 6.041 40 0 JKABRN COc1ccccc1Oc1ccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 ZINC000223917398 569927204 /nfs/dbraw/zinc/92/72/04/569927204.db2.gz OPWTXWMNJXLWIP-UHFFFAOYSA-N 0 0 465.962 6.283 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1cccc(C)c1 ZINC000223917843 569927238 /nfs/dbraw/zinc/92/72/38/569927238.db2.gz MRVLHBIEYSTCHP-MRXNPFEDSA-N 0 0 453.435 5.088 40 0 JKABRN COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1 ZINC000223918655 569927274 /nfs/dbraw/zinc/92/72/74/569927274.db2.gz ARXKZZYCNXXMLJ-FTJBHMTQSA-N 0 0 498.608 5.371 40 0 JKABRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)c1 ZINC000223918807 569927291 /nfs/dbraw/zinc/92/72/91/569927291.db2.gz OZJLZDZUIRDVSD-CLJLJLNGSA-N 0 0 498.608 5.371 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1C ZINC000223922263 569927364 /nfs/dbraw/zinc/92/73/64/569927364.db2.gz KWSUQCXFQJPORF-MRXNPFEDSA-N 0 0 453.435 5.088 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1C ZINC000223922311 569927421 /nfs/dbraw/zinc/92/74/21/569927421.db2.gz KWSUQCXFQJPORF-INIZCTEOSA-N 0 0 453.435 5.088 40 0 JKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223924294 569927431 /nfs/dbraw/zinc/92/74/31/569927431.db2.gz JFOSQVXLHCVHOO-SFHVURJKSA-N 0 0 461.433 5.711 40 0 JKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223924345 569927446 /nfs/dbraw/zinc/92/74/46/569927446.db2.gz JFOSQVXLHCVHOO-GOSISDBHSA-N 0 0 461.433 5.711 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccccc1 ZINC000223925590 569927485 /nfs/dbraw/zinc/92/74/85/569927485.db2.gz PFQGQQLWFOXLTH-SFHVURJKSA-N 0 0 477.432 5.629 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccccc1 ZINC000223925647 569927505 /nfs/dbraw/zinc/92/75/05/569927505.db2.gz PFQGQQLWFOXLTH-GOSISDBHSA-N 0 0 477.432 5.629 40 0 JKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1C ZINC000223927658 569927554 /nfs/dbraw/zinc/92/75/54/569927554.db2.gz FXSPYIKQGWFKHW-GOSISDBHSA-N 0 0 461.433 5.629 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)cc(C)c1 ZINC000223929671 569927588 /nfs/dbraw/zinc/92/75/88/569927588.db2.gz KFEIOPLMXHIJOL-QHCPKHFHSA-N 0 0 479.448 5.713 40 0 JKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223930055 569927590 /nfs/dbraw/zinc/92/75/90/569927590.db2.gz SJGRHCGAMHLJRW-SFHVURJKSA-N 0 0 491.459 5.972 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223930082 569927599 /nfs/dbraw/zinc/92/75/99/569927599.db2.gz WTHTUEPGVMBHLU-DEOSSOPVSA-N 0 0 493.475 6.185 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)cc(C)c1 ZINC000223929617 569927623 /nfs/dbraw/zinc/92/76/23/569927623.db2.gz KFEIOPLMXHIJOL-HSZRJFAPSA-N 0 0 479.448 5.713 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSCc1ccccc1 ZINC000223930386 569927655 /nfs/dbraw/zinc/92/76/55/569927655.db2.gz QLITXMXAWJSHAO-GOSISDBHSA-N 0 0 493.500 6.093 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223931888 569927668 /nfs/dbraw/zinc/92/76/68/569927668.db2.gz FZAWKYNBJSKBPP-INIZCTEOSA-N 0 0 497.463 5.842 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223931826 569927678 /nfs/dbraw/zinc/92/76/78/569927678.db2.gz VLSGRTLONPOPDI-AWEZNQCLSA-N 0 0 486.237 5.242 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223931559 569927680 /nfs/dbraw/zinc/92/76/80/569927680.db2.gz HVFVOPBTHDMFKQ-AWEZNQCLSA-N 0 0 486.237 5.242 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(CC)cc1 ZINC000223933741 569927703 /nfs/dbraw/zinc/92/77/03/569927703.db2.gz OOMZFJDGYNXXOC-QHCPKHFHSA-N 0 0 479.448 5.658 40 0 JKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223933146 569927704 /nfs/dbraw/zinc/92/77/04/569927704.db2.gz XFODBKXTOOTOEG-LJQANCHMSA-N 0 0 489.487 6.526 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSCc1ccccc1 ZINC000223934153 569927713 /nfs/dbraw/zinc/92/77/13/569927713.db2.gz XXDHUHDMPDFQRY-QHCPKHFHSA-N 0 0 495.516 6.340 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1Cl ZINC000223934330 569927740 /nfs/dbraw/zinc/92/77/40/569927740.db2.gz WFHACUAVFBQRAU-INIZCTEOSA-N 0 0 497.886 5.279 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223936356 569927751 /nfs/dbraw/zinc/92/77/51/569927751.db2.gz CWNQKHHGSRVQQK-LJQANCHMSA-N 0 0 497.466 6.555 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223934971 569927775 /nfs/dbraw/zinc/92/77/75/569927775.db2.gz IWCHSLWVJFDSOA-INIZCTEOSA-N 0 0 497.886 5.528 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223935179 569927777 /nfs/dbraw/zinc/92/77/77/569927777.db2.gz BBMBPCXVUATDTR-GOSISDBHSA-N 0 0 477.468 5.183 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223936982 569927788 /nfs/dbraw/zinc/92/77/88/569927788.db2.gz QROMCUYGOWDZHX-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000223937384 569927807 /nfs/dbraw/zinc/92/78/07/569927807.db2.gz HFHYOZPYBACEII-HNNXBMFYSA-N 0 0 483.823 5.502 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1C ZINC000223938135 569927826 /nfs/dbraw/zinc/92/78/26/569927826.db2.gz OEUBFBFZZSPYLL-GOSISDBHSA-N 0 0 477.432 5.465 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223937306 569927842 /nfs/dbraw/zinc/92/78/42/569927842.db2.gz SCSISRWAQNUSCE-QGZVFWFLSA-N 0 0 463.405 5.157 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F ZINC000223939905 569927844 /nfs/dbraw/zinc/92/78/44/569927844.db2.gz XRAAKQGCHUGSEM-HNNXBMFYSA-N 0 0 451.369 5.151 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1F ZINC000223941513 569927861 /nfs/dbraw/zinc/92/78/61/569927861.db2.gz CIFDBCXLSWEOOC-JOCHJYFZSA-N 0 0 499.479 6.089 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223941106 569927890 /nfs/dbraw/zinc/92/78/90/569927890.db2.gz MIIVYFJZWINLEK-OAQYLSRUSA-N 0 0 493.431 5.378 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccccc1 ZINC000223941068 569927897 /nfs/dbraw/zinc/92/78/97/569927897.db2.gz FIUPXKZUYIXWEB-MRXNPFEDSA-N 0 0 465.446 5.562 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(C)c1 ZINC000223942145 569927908 /nfs/dbraw/zinc/92/79/08/569927908.db2.gz VCSZJIIESKNMLQ-QFIPXVFZSA-N 0 0 465.421 5.404 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1c1ccc(N2CCOCC2)cc1 ZINC000223942232 569927925 /nfs/dbraw/zinc/92/79/25/569927925.db2.gz HPASSZGQJYJCBW-SVBPBHIXSA-N 0 0 487.673 5.402 40 0 JKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223943026 569927929 /nfs/dbraw/zinc/92/79/29/569927929.db2.gz XJTLASDCJPYJNA-NSOVKSMOSA-N 0 0 495.652 5.194 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223942651 569927934 /nfs/dbraw/zinc/92/79/34/569927934.db2.gz HVEZOAWCOXAEJA-OAQYLSRUSA-N 0 0 469.384 5.235 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 ZINC000223942516 569927948 /nfs/dbraw/zinc/92/79/48/569927948.db2.gz ZQPJJUFPORSVJK-QGZVFWFLSA-N 0 0 479.473 5.952 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000223942381 569927949 /nfs/dbraw/zinc/92/79/49/569927949.db2.gz LSXJSPDNFPOWMO-OAQYLSRUSA-N 0 0 485.839 5.749 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)cc1C ZINC000223943175 569927955 /nfs/dbraw/zinc/92/79/55/569927955.db2.gz MWGZPRZHTJHXBV-JOCHJYFZSA-N 0 0 479.448 5.713 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1c1ccc(N2CCOCC2)cc1 ZINC000223942303 569927961 /nfs/dbraw/zinc/92/79/61/569927961.db2.gz HPASSZGQJYJCBW-SXOMAYOGSA-N 0 0 487.673 5.402 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000223942435 569927976 /nfs/dbraw/zinc/92/79/76/569927976.db2.gz LSXJSPDNFPOWMO-NRFANRHFSA-N 0 0 485.839 5.749 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223943943 569927991 /nfs/dbraw/zinc/92/79/91/569927991.db2.gz IVUBRCCXVXALGT-NRFANRHFSA-N 0 0 469.840 5.913 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223943745 569927996 /nfs/dbraw/zinc/92/79/96/569927996.db2.gz UROZFJHSTAGFDB-OAQYLSRUSA-N 0 0 469.840 5.913 40 0 JKABRN Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223944110 569928004 /nfs/dbraw/zinc/92/80/04/569928004.db2.gz ISYIQAHXAZGKGY-SXOMAYOGSA-N 0 0 499.615 5.025 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2C)c1C ZINC000223945245 569928010 /nfs/dbraw/zinc/92/80/10/569928010.db2.gz GRKYXCGECPTVOY-UHFFFAOYSA-N 0 0 456.995 5.039 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)cc1 ZINC000223945089 569928019 /nfs/dbraw/zinc/92/80/19/569928019.db2.gz ZKARPBLTMOTHBK-UHFFFAOYSA-N 0 0 456.567 5.608 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223947332 569928058 /nfs/dbraw/zinc/92/80/58/569928058.db2.gz WPSWXLAZSIZZDF-QHCPKHFHSA-N 0 0 477.070 5.306 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223945546 569928059 /nfs/dbraw/zinc/92/80/59/569928059.db2.gz NIKIQQGODHHGNS-OAQYLSRUSA-N 0 0 481.420 5.105 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2C)c1C ZINC000223946686 569928094 /nfs/dbraw/zinc/92/80/94/569928094.db2.gz LQMNCWWRGZXYEZ-UHFFFAOYSA-N 0 0 485.609 5.651 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)cc1C ZINC000223949383 569928129 /nfs/dbraw/zinc/92/81/29/569928129.db2.gz CPOGUFFIXKKPSK-UHFFFAOYSA-N 0 0 470.594 5.917 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223949435 569928170 /nfs/dbraw/zinc/92/81/70/569928170.db2.gz MRVUQIYCIBDFLN-KRWDZBQOSA-N 0 0 463.449 5.777 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223950994 569928264 /nfs/dbraw/zinc/92/82/64/569928264.db2.gz GHIGGAYNMYETBP-HNNXBMFYSA-N 0 0 471.812 5.359 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000223954530 569928276 /nfs/dbraw/zinc/92/82/76/569928276.db2.gz RRAFCMHMKABNOM-MRXNPFEDSA-N 0 0 451.394 5.049 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc2ccccc21 ZINC000223953684 569928290 /nfs/dbraw/zinc/92/82/90/569928290.db2.gz YICXBADUOMUHHQ-INIZCTEOSA-N 0 0 459.373 5.079 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954198 569928300 /nfs/dbraw/zinc/92/83/00/569928300.db2.gz ZECDGJSOXWUYOZ-IZZNHLLZSA-N 0 0 473.646 5.012 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000223953390 569928302 /nfs/dbraw/zinc/92/83/02/569928302.db2.gz HTPFIHIQCREAIZ-UHFFFAOYSA-N 0 0 494.657 5.519 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)c1 ZINC000223953693 569928313 /nfs/dbraw/zinc/92/83/13/569928313.db2.gz IASLFPURQDENFZ-UHFFFAOYSA-N 0 0 470.594 5.917 40 0 JKABRN CSc1ccc(S(=O)(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1NC(=O)C(C)C ZINC000223959817 569928471 /nfs/dbraw/zinc/92/84/71/569928471.db2.gz SURUDFPQCVAUKV-NRFANRHFSA-N 0 0 488.675 5.508 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 ZINC000223960317 569928495 /nfs/dbraw/zinc/92/84/95/569928495.db2.gz RHWHCVOVQDZUPW-RTBURBONSA-N 0 0 473.421 5.041 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223960974 569928520 /nfs/dbraw/zinc/92/85/20/569928520.db2.gz HTCHQOMFTGAFSJ-IBGZPJMESA-N 0 0 487.482 5.623 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000223962198 569928554 /nfs/dbraw/zinc/92/85/54/569928554.db2.gz NMEVFZDKKPCXHP-INIZCTEOSA-N 0 0 453.435 5.088 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223961449 569928558 /nfs/dbraw/zinc/92/85/58/569928558.db2.gz CLXPHPZVNDLECL-QGZVFWFLSA-N 0 0 457.401 5.633 40 0 JKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223962130 569928561 /nfs/dbraw/zinc/92/85/61/569928561.db2.gz RDLRDIQPNOXQNQ-GOSISDBHSA-N 0 0 461.433 5.711 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223961992 569928578 /nfs/dbraw/zinc/92/85/78/569928578.db2.gz SDRFDCFXEMGCPP-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccccc1 ZINC000223963438 569928610 /nfs/dbraw/zinc/92/86/10/569928610.db2.gz OYHWCANFYAMFOF-GOSISDBHSA-N 0 0 477.432 5.629 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1 ZINC000223962971 569928613 /nfs/dbraw/zinc/92/86/13/569928613.db2.gz SOBHXRKCGRHARC-RRPNLBNLSA-N 0 0 496.640 5.079 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223963064 569928615 /nfs/dbraw/zinc/92/86/15/569928615.db2.gz QKBQRTUJLUIIPZ-MRXNPFEDSA-N 0 0 451.394 5.049 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000223963488 569928656 /nfs/dbraw/zinc/92/86/56/569928656.db2.gz OHAVEYINMXLJDS-XZOQPEGZSA-N 0 0 488.642 5.081 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000223963255 569928660 /nfs/dbraw/zinc/92/86/60/569928660.db2.gz QINWJBUWHFHMHW-SFHVURJKSA-N 0 0 477.432 5.465 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccccc1 ZINC000223965194 569928714 /nfs/dbraw/zinc/92/87/14/569928714.db2.gz AHGRFEPNEAPBRC-AJTFRIOCSA-N 0 0 490.669 5.342 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000223965421 569928738 /nfs/dbraw/zinc/92/87/38/569928738.db2.gz ABICVUBXCASSTJ-IZZNHLLZSA-N 0 0 485.613 5.277 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223965596 569928739 /nfs/dbraw/zinc/92/87/39/569928739.db2.gz QCIZHLIDAMOXTF-SFHVURJKSA-N 0 0 489.454 5.069 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223966088 569928790 /nfs/dbraw/zinc/92/87/90/569928790.db2.gz YWQGSFRERQBPPC-RPBOFIJWSA-N 0 0 488.016 5.661 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000223966575 569928818 /nfs/dbraw/zinc/92/88/18/569928818.db2.gz AQPCVBYQYOMTGF-FTJBHMTQSA-N 0 0 467.598 5.316 40 0 JKABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000223967408 569928827 /nfs/dbraw/zinc/92/88/27/569928827.db2.gz VDNJHSZRVNJCQG-MOHJPFBDSA-N 0 0 454.482 5.490 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000223969382 569928875 /nfs/dbraw/zinc/92/88/75/569928875.db2.gz UTJQJMFBRQFFLP-LXFBAYGMSA-N 0 0 472.629 5.183 40 0 JKABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223969207 569928906 /nfs/dbraw/zinc/92/89/06/569928906.db2.gz AZNPDALPENFTNR-INIZCTEOSA-N 0 0 463.405 5.021 40 0 JKABRN Cc1nc(NC(=S)NCC2(c3ccccc3)CCCC2)c(Br)cc1Br ZINC000223971286 569928927 /nfs/dbraw/zinc/92/89/27/569928927.db2.gz YIECDQKJFNSECJ-UHFFFAOYSA-N 0 0 483.273 5.713 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCCC3)c2C)cc1 ZINC000223970905 569928951 /nfs/dbraw/zinc/92/89/51/569928951.db2.gz WPXBWTPXYYKKOU-SVBPBHIXSA-N 0 0 487.673 6.141 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000223971679 569928964 /nfs/dbraw/zinc/92/89/64/569928964.db2.gz MSZAZNXLIAAHMF-INIZCTEOSA-N 0 0 481.851 6.056 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCCC3)c2C)cc1 ZINC000223970954 569928985 /nfs/dbraw/zinc/92/89/85/569928985.db2.gz WPXBWTPXYYKKOU-SXOMAYOGSA-N 0 0 487.673 6.141 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223974434 569929094 /nfs/dbraw/zinc/92/90/94/569929094.db2.gz OALLMOUACBDDOK-QGZVFWFLSA-N 0 0 463.405 5.157 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000223975357 569929114 /nfs/dbraw/zinc/92/91/14/569929114.db2.gz MZUNMMSTQCLKNO-GOSISDBHSA-N 0 0 477.432 5.465 40 0 JKABRN Cc1nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)c(Cl)cc1Br ZINC000223976093 569929123 /nfs/dbraw/zinc/92/91/23/569929123.db2.gz KSTMUVPVGCCNLE-UHFFFAOYSA-N 0 0 473.267 6.258 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1C ZINC000223975220 569929154 /nfs/dbraw/zinc/92/91/54/569929154.db2.gz HLKHKVLLXDDKSZ-GOSISDBHSA-N 0 0 477.432 5.465 40 0 JKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223976946 569929178 /nfs/dbraw/zinc/92/91/78/569929178.db2.gz KODDMNWQLZYSKY-GOSISDBHSA-N 0 0 461.433 5.629 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 ZINC000223978142 569929182 /nfs/dbraw/zinc/92/91/82/569929182.db2.gz QSJCVRCXJBQHLM-MRXNPFEDSA-N 0 0 465.446 5.562 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223976450 569929199 /nfs/dbraw/zinc/92/91/99/569929199.db2.gz CFEJYBPNJNHHSP-CQSZACIVSA-N 0 0 485.814 5.805 40 0 JKABRN Cc1ccc(SCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223978217 569929209 /nfs/dbraw/zinc/92/92/09/569929209.db2.gz CXTYWPOYXVYBIX-KRWDZBQOSA-N 0 0 479.473 5.870 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1 ZINC000223978492 569929248 /nfs/dbraw/zinc/92/92/48/569929248.db2.gz ZRTQFVPKSVAFEU-KRWDZBQOSA-N 0 0 479.473 5.703 40 0 JKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223979590 569929264 /nfs/dbraw/zinc/92/92/64/569929264.db2.gz VBNBVKKPAGUPEP-UHFFFAOYSA-N 0 0 488.509 7.338 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223979883 569929277 /nfs/dbraw/zinc/92/92/77/569929277.db2.gz JHXTYSDZWGKUNW-MHZLTWQESA-N 0 0 490.669 5.095 40 0 JKABRN COc1ccccc1Oc1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000223979831 569929306 /nfs/dbraw/zinc/92/93/06/569929306.db2.gz NTTVBSZGVZTJEN-UHFFFAOYSA-N 0 0 468.022 6.334 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223979969 569929313 /nfs/dbraw/zinc/92/93/13/569929313.db2.gz HDXKLAOHWCGSSS-GOSISDBHSA-N 0 0 493.500 6.260 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223984695 569929434 /nfs/dbraw/zinc/92/94/34/569929434.db2.gz QKHSZEKFEKDSTL-DQEYMECFSA-N 0 0 471.561 5.147 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 ZINC000223984316 569929444 /nfs/dbraw/zinc/92/94/44/569929444.db2.gz RLBMPVFBBRQEFT-LOSJGSFVSA-N 0 0 471.561 5.147 40 0 JKABRN Fc1ccc(C2(CNC(=S)Nc3ccc(Sc4ccc(Cl)cc4)nc3)CCCC2)cc1 ZINC000223984537 569929471 /nfs/dbraw/zinc/92/94/71/569929471.db2.gz FEEHNWSCWIEPFR-UHFFFAOYSA-N 0 0 472.054 6.824 40 0 JKABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)cc1 ZINC000223985756 569929503 /nfs/dbraw/zinc/92/95/03/569929503.db2.gz IAXLZLYBRHYBEY-IZZNHLLZSA-N 0 0 483.597 5.016 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)c(C)c2)cc1 ZINC000223987429 569929538 /nfs/dbraw/zinc/92/95/38/569929538.db2.gz BBNQXHKUQRSEOR-KAYWLYCHSA-N 0 0 481.625 5.625 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000223986973 569929564 /nfs/dbraw/zinc/92/95/64/569929564.db2.gz OCECNZFIGDAUOE-XMMPIXPASA-N 0 0 468.638 5.095 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000223987727 569929584 /nfs/dbraw/zinc/92/95/84/569929584.db2.gz MJYNVEKLFGXFPB-ZEQRLZLVSA-N 0 0 489.004 5.056 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 ZINC000223988450 569929589 /nfs/dbraw/zinc/92/95/89/569929589.db2.gz UDDAEKUEWPCUJS-DQEYMECFSA-N 0 0 486.622 5.961 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223988257 569929595 /nfs/dbraw/zinc/92/95/95/569929595.db2.gz FXFUQVNBMUBFRC-JOCHJYFZSA-N 0 0 465.421 5.268 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000223987779 569929627 /nfs/dbraw/zinc/92/96/27/569929627.db2.gz MJYNVEKLFGXFPB-RPWUZVMVSA-N 0 0 489.004 5.056 40 0 JKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)o2)cc1 ZINC000223990240 569929632 /nfs/dbraw/zinc/92/96/32/569929632.db2.gz CAJVNOOSEUSFRJ-RRPNLBNLSA-N 0 0 498.608 5.876 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223989675 569929664 /nfs/dbraw/zinc/92/96/64/569929664.db2.gz KVRDJZBWXXRQMG-NRFANRHFSA-N 0 0 481.420 5.105 40 0 JKABRN Cc1c(Br)cnc(NC(=S)NCC2(c3ccccc3)CCCCC2)c1Br ZINC000223991631 569929730 /nfs/dbraw/zinc/92/97/30/569929730.db2.gz JIJASMLKXBFWCG-UHFFFAOYSA-N 0 0 497.300 6.104 40 0 JKABRN S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(N2CCc3ccccc3C2)nc1 ZINC000223993802 569929748 /nfs/dbraw/zinc/92/97/48/569929748.db2.gz PBBIIHOXLUEZDK-UHFFFAOYSA-N 0 0 456.659 5.833 40 0 JKABRN Cc1cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)c(Br)c1 ZINC000223996116 569929809 /nfs/dbraw/zinc/92/98/09/569929809.db2.gz OLXICLILADZKDE-UHFFFAOYSA-N 0 0 452.849 5.994 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223996740 569929847 /nfs/dbraw/zinc/92/98/47/569929847.db2.gz ZRJNCMHMLSIQJF-GIGWZHCTSA-N 0 0 486.656 5.409 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223998829 569929904 /nfs/dbraw/zinc/92/99/04/569929904.db2.gz YLOSHZWXJCUJLI-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN Cc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223999018 569929915 /nfs/dbraw/zinc/92/99/15/569929915.db2.gz RSGFURFSEFTXLY-GOSISDBHSA-N 0 0 461.433 5.711 40 0 JKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)cn1 ZINC000223998630 569929923 /nfs/dbraw/zinc/92/99/23/569929923.db2.gz PYNKESSXILWIGX-IBGZPJMESA-N 0 0 457.087 6.302 40 0 JKABRN S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ncc(Cl)cc1Br ZINC000224000188 569929952 /nfs/dbraw/zinc/92/99/52/569929952.db2.gz NYAAEJXNCRDPAJ-UHFFFAOYSA-N 0 0 473.267 6.339 40 0 JKABRN Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1C ZINC000224001541 569929989 /nfs/dbraw/zinc/92/99/89/569929989.db2.gz JLUVDWITHNHQFG-GOSISDBHSA-N 0 0 461.433 5.629 40 0 JKABRN C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCCCC3)cn2)C1 ZINC000224003299 569930082 /nfs/dbraw/zinc/93/00/82/569930082.db2.gz GWUUIJHKHYVQDP-LJQANCHMSA-N 0 0 457.087 6.160 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 ZINC000224004148 569930106 /nfs/dbraw/zinc/93/01/06/569930106.db2.gz XFTVMTXWOMYWRT-LXFBAYGMSA-N 0 0 472.629 5.101 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)ccc1Cl ZINC000224003736 569930110 /nfs/dbraw/zinc/93/01/10/569930110.db2.gz MTYLSJIXULBRGC-INIZCTEOSA-N 0 0 497.850 5.810 40 0 JKABRN S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ccc(N2CCCCCC2)nc1 ZINC000224004134 569930121 /nfs/dbraw/zinc/93/01/21/569930121.db2.gz LIDWUDDHAWMUMJ-UHFFFAOYSA-N 0 0 457.087 6.304 40 0 JKABRN S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ccc(Oc2ccccc2)nc1 ZINC000224004419 569930122 /nfs/dbraw/zinc/93/01/22/569930122.db2.gz AFBCACYVNPAVRV-UHFFFAOYSA-N 0 0 452.023 6.716 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 ZINC000224004043 569930132 /nfs/dbraw/zinc/93/01/32/569930132.db2.gz XFTVMTXWOMYWRT-QDPGVEIFSA-N 0 0 472.629 5.101 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224003990 569930136 /nfs/dbraw/zinc/93/01/36/569930136.db2.gz OSTKIWJRBZIOHF-SFHVURJKSA-N 0 0 477.432 5.465 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1c1ccc2c(c1)OCO2 ZINC000224004433 569930138 /nfs/dbraw/zinc/93/01/38/569930138.db2.gz TZMJFRYLMZAGCG-ZEQRLZLVSA-N 0 0 497.605 5.388 40 0 JKABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1Cl ZINC000224005935 569930180 /nfs/dbraw/zinc/93/01/80/569930180.db2.gz HMFSJNXASXHGLN-ZEQRLZLVSA-N 0 0 492.963 5.571 40 0 JKABRN Fc1ccc(C2(CNC(=S)Nc3ncc(Cl)cc3Br)CCCCC2)cc1 ZINC000224005034 569930199 /nfs/dbraw/zinc/93/01/99/569930199.db2.gz ZRYQQAVGNWTOIE-UHFFFAOYSA-N 0 0 456.812 5.825 40 0 JKABRN Cc1nc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)c(Br)cc1Cl ZINC000224005676 569930201 /nfs/dbraw/zinc/93/02/01/569930201.db2.gz XSHOKXPYLYNSEW-UHFFFAOYSA-N 0 0 470.839 6.134 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224007127 569930211 /nfs/dbraw/zinc/93/02/11/569930211.db2.gz KAQSUEMNIAIARU-SFHVURJKSA-N 0 0 475.460 5.965 40 0 JKABRN COc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224006195 569930214 /nfs/dbraw/zinc/93/02/14/569930214.db2.gz RCQXBUDMMRPDCM-INIZCTEOSA-N 0 0 463.405 5.021 40 0 JKABRN Cc1c(Br)cnc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)c1Cl ZINC000224006481 569930226 /nfs/dbraw/zinc/93/02/26/569930226.db2.gz YEYXIYHEZWHZSQ-UHFFFAOYSA-N 0 0 470.839 6.134 40 0 JKABRN CC(C)c1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224007287 569930234 /nfs/dbraw/zinc/93/02/34/569930234.db2.gz GLKKRENYGKCLBK-LJQANCHMSA-N 0 0 489.487 6.526 40 0 JKABRN COc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224006247 569930252 /nfs/dbraw/zinc/93/02/52/569930252.db2.gz RCQXBUDMMRPDCM-MRXNPFEDSA-N 0 0 463.405 5.021 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224006276 569930254 /nfs/dbraw/zinc/93/02/54/569930254.db2.gz YKLPDXANHRVINS-LJAQVGFWSA-N 0 0 484.684 6.083 40 0 JKABRN Cc1ccc(C)c(OCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000224009943 569930289 /nfs/dbraw/zinc/93/02/89/569930289.db2.gz HXXDJPKUQOKEHZ-HHHXNRCGSA-N 0 0 495.044 5.540 40 0 JKABRN CC(C)c1ccccc1OCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1 ZINC000224011923 569930411 /nfs/dbraw/zinc/93/04/11/569930411.db2.gz YQJRHFWMZITSOY-GOSISDBHSA-N 0 0 491.459 5.972 40 0 JKABRN C[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000224015343 569930522 /nfs/dbraw/zinc/93/05/22/569930522.db2.gz WKKUPCUIWCHILC-CYBMUJFWSA-N 0 0 477.369 5.686 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224014634 569930525 /nfs/dbraw/zinc/93/05/25/569930525.db2.gz RAADFEJWKMUTNM-GDLZYMKVSA-N 0 0 470.657 5.909 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1Cl ZINC000224014922 569930540 /nfs/dbraw/zinc/93/05/40/569930540.db2.gz MEBJCDGHSVDMIY-IDISGSTGSA-N 0 0 493.047 5.446 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224014687 569930552 /nfs/dbraw/zinc/93/05/52/569930552.db2.gz RAADFEJWKMUTNM-LJAQVGFWSA-N 0 0 470.657 5.909 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000224016123 569930577 /nfs/dbraw/zinc/93/05/77/569930577.db2.gz ORBRKGRAJAFAML-AREMUKBSSA-N 0 0 463.021 5.439 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 ZINC000224016426 569930580 /nfs/dbraw/zinc/93/05/80/569930580.db2.gz VZTIXKXGXHEVHI-QDPGVEIFSA-N 0 0 472.629 5.101 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C ZINC000224016285 569930588 /nfs/dbraw/zinc/93/05/88/569930588.db2.gz HGMWFCHALYLYQE-LXFBAYGMSA-N 0 0 472.629 5.101 40 0 JKABRN COc1cccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224015652 569930606 /nfs/dbraw/zinc/93/06/06/569930606.db2.gz KXQZULNBGFUZMU-NRFANRHFSA-N 0 0 468.663 5.021 40 0 JKABRN 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569958585 /nfs/dbraw/zinc/95/85/85/569958585.db2.gz AGKBJXHABISACO-NRFANRHFSA-N 0 0 467.462 5.665 40 0 JKABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224811023 569958588 /nfs/dbraw/zinc/95/85/88/569958588.db2.gz RQKOSABPOLHDEL-NRFANRHFSA-N 0 0 471.041 5.510 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224810741 569958589 /nfs/dbraw/zinc/95/85/89/569958589.db2.gz LEDYGUJUPVSODC-HXUWFJFHSA-N 0 0 457.014 5.202 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224810696 569958601 /nfs/dbraw/zinc/95/86/01/569958601.db2.gz LEDYGUJUPVSODC-FQEVSTJZSA-N 0 0 457.014 5.202 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc(C)cc1 ZINC000224810851 569958603 /nfs/dbraw/zinc/95/86/03/569958603.db2.gz PNXKWETWHKSSDK-JOCHJYFZSA-N 0 0 481.489 5.974 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)ccc1Cl ZINC000224810521 569958610 /nfs/dbraw/zinc/95/86/10/569958610.db2.gz XKLMKNXACWHUKK-GOSISDBHSA-N 0 0 477.432 5.547 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(C)cc1 ZINC000224811287 569958630 /nfs/dbraw/zinc/95/86/30/569958630.db2.gz GJECPACHPKDDRC-HSZRJFAPSA-N 0 0 495.516 6.115 40 0 JKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224812258 569958640 /nfs/dbraw/zinc/95/86/40/569958640.db2.gz PEADPGUBTQRIDI-UHFFFAOYSA-N 0 0 472.994 5.120 40 0 JKABRN Cc1cccc(CN(C(=O)COc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224811863 569958647 /nfs/dbraw/zinc/95/86/47/569958647.db2.gz PPHCZSILURGLCR-VWLOTQADSA-N 0 0 479.020 5.192 40 0 JKABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccc(F)cc1F ZINC000224812325 569958654 /nfs/dbraw/zinc/95/86/54/569958654.db2.gz GOLDKXIHHRRLQT-UHFFFAOYSA-N 0 0 458.486 5.049 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000224811175 569958660 /nfs/dbraw/zinc/95/86/60/569958660.db2.gz BPDJFSBDQWWZDM-HXUWFJFHSA-N 0 0 473.082 5.830 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224813235 569958683 /nfs/dbraw/zinc/95/86/83/569958683.db2.gz SDFKHYJVJLUICV-MUUNZHRXSA-N 0 0 472.629 5.101 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c(OC)c1 ZINC000224813808 569958731 /nfs/dbraw/zinc/95/87/31/569958731.db2.gz YDZKISUTVGVQIX-UIOOFZCWSA-N 0 0 470.598 5.375 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)c(OC)c1 ZINC000224813513 569958751 /nfs/dbraw/zinc/95/87/51/569958751.db2.gz ASXHQMYLBJPNEQ-LOSJGSFVSA-N 0 0 462.619 5.583 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)c(OC)c1 ZINC000224814255 569958778 /nfs/dbraw/zinc/95/87/78/569958778.db2.gz XBMYQHFUFQKGGK-SXOMAYOGSA-N 0 0 499.640 5.133 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)c(OC)c1 ZINC000224814660 569958811 /nfs/dbraw/zinc/95/88/11/569958811.db2.gz MQQCFZAEKMKBGR-RPBOFIJWSA-N 0 0 474.561 5.206 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1)c1ccc(F)cc1F ZINC000224815095 569958840 /nfs/dbraw/zinc/95/88/40/569958840.db2.gz LGYIQEVQXYNXSO-UHFFFAOYSA-N 0 0 492.547 5.435 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Br)cc1 ZINC000224815165 569958853 /nfs/dbraw/zinc/95/88/53/569958853.db2.gz XLSJNIRZACIENY-MRXNPFEDSA-N 0 0 497.886 5.279 40 0 JKABRN Cc1ccccc1CN(C(=O)COc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224814928 569958864 /nfs/dbraw/zinc/95/88/64/569958864.db2.gz FQTHIOXIFNSPAU-MHZLTWQESA-N 0 0 488.603 5.212 40 0 JKABRN Cc1ccccc1CN(C(=O)COc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224815074 569958868 /nfs/dbraw/zinc/95/88/68/569958868.db2.gz FHUBUTLPOBZEGN-MUUNZHRXSA-N 0 0 488.603 5.212 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224814993 569958873 /nfs/dbraw/zinc/95/88/73/569958873.db2.gz IJQKESOXUCHMRS-MUUNZHRXSA-N 0 0 456.630 5.319 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224814955 569958887 /nfs/dbraw/zinc/95/88/87/569958887.db2.gz IJQKESOXUCHMRS-NDEPHWFRSA-N 0 0 456.630 5.319 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)c(OC)c1 ZINC000224815106 569958890 /nfs/dbraw/zinc/95/88/90/569958890.db2.gz JRCCJXBYJPERQL-LOSJGSFVSA-N 0 0 474.561 5.206 40 0 JKABRN Cc1ccccc1CN(C(=O)COc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224814971 569958894 /nfs/dbraw/zinc/95/88/94/569958894.db2.gz FQTHIOXIFNSPAU-HHHXNRCGSA-N 0 0 488.603 5.212 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc21 ZINC000224815977 569958898 /nfs/dbraw/zinc/95/88/98/569958898.db2.gz UFJUQKZHFXURCR-NRFANRHFSA-N 0 0 477.048 6.292 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224816569 569958909 /nfs/dbraw/zinc/95/89/09/569958909.db2.gz IWBYAMDKJGDPLY-HXUWFJFHSA-N 0 0 473.082 5.748 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc21 ZINC000224816026 569958921 /nfs/dbraw/zinc/95/89/21/569958921.db2.gz UFJUQKZHFXURCR-OAQYLSRUSA-N 0 0 477.048 6.292 40 0 JKABRN Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224816601 569958923 /nfs/dbraw/zinc/95/89/23/569958923.db2.gz BBAOPDHAWLEZLS-GDLZYMKVSA-N 0 0 468.641 5.545 40 0 JKABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)cc1 ZINC000224815914 569958936 /nfs/dbraw/zinc/95/89/36/569958936.db2.gz UBUFXMHQQIJBQY-UIOOFZCWSA-N 0 0 486.597 5.075 40 0 JKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224816773 569958967 /nfs/dbraw/zinc/95/89/67/569958967.db2.gz QFWKQIWRGTZECW-PMERELPUSA-N 0 0 482.668 5.853 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224817613 569958984 /nfs/dbraw/zinc/95/89/84/569958984.db2.gz NLBANPVMSPBIPE-NDEPHWFRSA-N 0 0 454.614 5.236 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)c1C ZINC000224817424 569958995 /nfs/dbraw/zinc/95/89/95/569958995.db2.gz WUVOGGYKZMCDCO-HXUWFJFHSA-N 0 0 457.014 5.202 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224818316 569959020 /nfs/dbraw/zinc/95/90/20/569959020.db2.gz UPADJWOAHRMCNZ-NDEPHWFRSA-N 0 0 488.697 5.701 40 0 JKABRN Cc1cccc(CN(C(=O)CSc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224817764 569959021 /nfs/dbraw/zinc/95/90/21/569959021.db2.gz JOHFVYUCCUJSKL-MUUNZHRXSA-N 0 0 486.681 5.786 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000224818472 569959031 /nfs/dbraw/zinc/95/90/31/569959031.db2.gz PAAFVDSJYFUXOS-MRXNPFEDSA-N 0 0 481.851 6.056 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000224818363 569959054 /nfs/dbraw/zinc/95/90/54/569959054.db2.gz ZFYQKFXECVAEBG-MRXNPFEDSA-N 0 0 465.396 5.541 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)c(OC)c1 ZINC000224818545 569959057 /nfs/dbraw/zinc/95/90/57/569959057.db2.gz WQXNPFAKFSICJF-RPBOFIJWSA-N 0 0 457.555 5.536 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224819701 569959067 /nfs/dbraw/zinc/95/90/67/569959067.db2.gz QNPNEJWXBPNQAT-SANMLTNESA-N 0 0 463.021 5.356 40 0 JKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000224818602 569959077 /nfs/dbraw/zinc/95/90/77/569959077.db2.gz AQHXGMDEWKYTSO-QNGOZBTKSA-N 0 0 457.020 5.389 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)c(OC)c1 ZINC000224818768 569959084 /nfs/dbraw/zinc/95/90/84/569959084.db2.gz WYUTWKQHKLHIBI-LOSJGSFVSA-N 0 0 475.545 5.675 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000224819930 569959087 /nfs/dbraw/zinc/95/90/87/569959087.db2.gz AWTLOLJJCFXWLZ-KRWDZBQOSA-N 0 0 463.018 5.437 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1 ZINC000224818962 569959104 /nfs/dbraw/zinc/95/91/04/569959104.db2.gz PFFKUADOXKXFIC-LOSJGSFVSA-N 0 0 492.000 6.189 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224820598 569959113 /nfs/dbraw/zinc/95/91/13/569959113.db2.gz MTKCYORDZLXSFR-NDEPHWFRSA-N 0 0 456.630 5.319 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c(OC)c1 ZINC000224823550 569959265 /nfs/dbraw/zinc/95/92/65/569959265.db2.gz HBQFOXHQTCKYNE-RPBOFIJWSA-N 0 0 456.571 5.067 40 0 JKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000224825345 569959338 /nfs/dbraw/zinc/95/93/38/569959338.db2.gz RKSZMDDRPQWRDE-JOCHJYFZSA-N 0 0 458.668 5.524 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)c1 ZINC000224830385 569959535 /nfs/dbraw/zinc/95/95/35/569959535.db2.gz HUMRFJDXMWWENE-KAYWLYCHSA-N 0 0 499.640 5.138 40 0 JKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224832508 569959560 /nfs/dbraw/zinc/95/95/60/569959560.db2.gz UUZFPCJNAHFRJU-UHFFFAOYSA-N 0 0 487.021 5.429 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224831833 569959561 /nfs/dbraw/zinc/95/95/61/569959561.db2.gz ZDLONQORIJDEET-NDEPHWFRSA-N 0 0 489.059 5.890 40 0 JKABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000224833530 569959652 /nfs/dbraw/zinc/95/96/52/569959652.db2.gz VYYMZMUTPOIBKR-QHCPKHFHSA-N 0 0 479.448 5.569 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224836615 569959688 /nfs/dbraw/zinc/95/96/88/569959688.db2.gz XLICLSKRKJYKJH-NDEPHWFRSA-N 0 0 472.629 5.155 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000224835796 569959703 /nfs/dbraw/zinc/95/97/03/569959703.db2.gz WCZMCWREMIBCSR-QGZVFWFLSA-N 0 0 451.394 5.096 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccccc3)c2C)c1 ZINC000224837044 569959727 /nfs/dbraw/zinc/95/97/27/569959727.db2.gz UALKYQOKJUINJL-VSGBNLITSA-N 0 0 498.652 5.743 40 0 JKABRN Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224837274 569959737 /nfs/dbraw/zinc/95/97/37/569959737.db2.gz UNXFGWROKKRXCN-LJAQVGFWSA-N 0 0 468.641 5.545 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224839667 569959784 /nfs/dbraw/zinc/95/97/84/569959784.db2.gz VYNCGEGGTZXINK-GDLZYMKVSA-N 0 0 486.656 5.662 40 0 JKABRN CC(C)c1ccccc1N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000224839473 569959789 /nfs/dbraw/zinc/95/97/89/569959789.db2.gz ZXMIOENEWLEXJJ-UHFFFAOYSA-N 0 0 464.587 5.894 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224839657 569959797 /nfs/dbraw/zinc/95/97/97/569959797.db2.gz CJIZCWQVVXFWBS-RUZDIDTESA-N 0 0 491.503 6.629 40 0 JKABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(OC)cc1 ZINC000224838744 569959809 /nfs/dbraw/zinc/95/98/09/569959809.db2.gz JBPKVXNQOFJALS-QFIPXVFZSA-N 0 0 465.421 5.124 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224841028 569959856 /nfs/dbraw/zinc/95/98/56/569959856.db2.gz WAULBRMMXJCCGO-GDLZYMKVSA-N 0 0 484.640 5.381 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000224840875 569959872 /nfs/dbraw/zinc/95/98/72/569959872.db2.gz JOTJUTVBPXPXNU-JOCHJYFZSA-N 0 0 483.867 6.159 40 0 JKABRN CC(C)c1ccccc1N(CCCC(=O)Nc1ccc2c3c(cccc31)CC2)S(C)(=O)=O ZINC000224840319 569959873 /nfs/dbraw/zinc/95/98/73/569959873.db2.gz MMTKNQHSRKWJQH-UHFFFAOYSA-N 0 0 450.604 5.247 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224841886 569959901 /nfs/dbraw/zinc/95/99/01/569959901.db2.gz CNILBRVAQDFKOE-GDLZYMKVSA-N 0 0 470.657 5.655 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224842232 569959913 /nfs/dbraw/zinc/95/99/13/569959913.db2.gz MDGNNPZOGPZEQD-MUUNZHRXSA-N 0 0 489.059 5.890 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000224842068 569959945 /nfs/dbraw/zinc/95/99/45/569959945.db2.gz PMSZCQONPHOBQG-SFHVURJKSA-N 0 0 460.590 5.064 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(C)c1C ZINC000224844012 569959970 /nfs/dbraw/zinc/95/99/70/569959970.db2.gz UCVGSNRXWJKLGB-JOCHJYFZSA-N 0 0 479.448 5.569 40 0 JKABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000224843523 569959984 /nfs/dbraw/zinc/95/99/84/569959984.db2.gz IBPIXZHNNMVUIZ-FQEVSTJZSA-N 0 0 469.384 5.091 40 0 JKABRN Cc1ccc(CN(C(=O)CCc2cccc3ccccc32)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224844155 569959993 /nfs/dbraw/zinc/95/99/93/569959993.db2.gz OGVTZSOAKRYZMR-HKBQPEDESA-N 0 0 492.663 6.246 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000224844802 569960040 /nfs/dbraw/zinc/96/00/40/569960040.db2.gz DHTNOMXXQPJLSE-OAHLLOKOSA-N 0 0 487.880 5.824 40 0 JKABRN CCc1cccc(C)c1N(Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000224844310 569960066 /nfs/dbraw/zinc/96/00/66/569960066.db2.gz BUYNUIKPEHSSPS-UHFFFAOYSA-N 0 0 485.049 5.150 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccc(C)cc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224845741 569960091 /nfs/dbraw/zinc/96/00/91/569960091.db2.gz ITQNSBAPAQVKRY-HHHXNRCGSA-N 0 0 472.629 5.155 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000224845543 569960095 /nfs/dbraw/zinc/96/00/95/569960095.db2.gz CDAQRRKFVIXIGG-NRFANRHFSA-N 0 0 460.593 5.778 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000224845503 569960098 /nfs/dbraw/zinc/96/00/98/569960098.db2.gz JTUAAYSIDVRXMC-OAQYLSRUSA-N 0 0 453.385 5.255 40 0 JKABRN Cc1ccc(CN(C(=O)COc2cccc(C)c2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224845625 569960127 /nfs/dbraw/zinc/96/01/27/569960127.db2.gz SXCHHOHFPSLVIE-HHHXNRCGSA-N 0 0 472.629 5.155 40 0 JKABRN Cc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224845774 569960139 /nfs/dbraw/zinc/96/01/39/569960139.db2.gz SLGBRMVFANGMHU-LJAQVGFWSA-N 0 0 468.641 5.627 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccc(C)cc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224845697 569960141 /nfs/dbraw/zinc/96/01/41/569960141.db2.gz ITQNSBAPAQVKRY-MHZLTWQESA-N 0 0 472.629 5.155 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1 ZINC000224846653 569960145 /nfs/dbraw/zinc/96/01/45/569960145.db2.gz PMGXFMKGYHTCAY-JOCHJYFZSA-N 0 0 481.489 5.806 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 ZINC000224846477 569960155 /nfs/dbraw/zinc/96/01/55/569960155.db2.gz XPQMCWZYQXFGQD-FTJBHMTQSA-N 0 0 470.598 5.375 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccc(C)cc1 ZINC000224846453 569960156 /nfs/dbraw/zinc/96/01/56/569960156.db2.gz RVKFTSGZEAFXTL-JOCHJYFZSA-N 0 0 481.489 5.974 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224846127 569960200 /nfs/dbraw/zinc/96/02/00/569960200.db2.gz KVGCSFJSAGFZKQ-SANMLTNESA-N 0 0 463.021 5.356 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 ZINC000224846278 569960205 /nfs/dbraw/zinc/96/02/05/569960205.db2.gz SCZVQTDQQJWYMM-RPBOFIJWSA-N 0 0 456.571 5.067 40 0 JKABRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000224847378 569960253 /nfs/dbraw/zinc/96/02/53/569960253.db2.gz OKBNRHUYJCDVRJ-RUZDIDTESA-N 0 0 499.438 5.537 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1 ZINC000224848380 569960268 /nfs/dbraw/zinc/96/02/68/569960268.db2.gz YVHPNIVDHUFOBB-QGZVFWFLSA-N 0 0 463.405 5.238 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 ZINC000224850193 569960304 /nfs/dbraw/zinc/96/03/04/569960304.db2.gz LVOFDRUJBWAWCS-GOSISDBHSA-N 0 0 493.500 6.342 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000224851061 569960330 /nfs/dbraw/zinc/96/03/30/569960330.db2.gz DGHJIJANZJHQTA-RPBOFIJWSA-N 0 0 475.545 5.675 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)c1 ZINC000224850925 569960340 /nfs/dbraw/zinc/96/03/40/569960340.db2.gz QCWVAIJFOGJYPE-LOSJGSFVSA-N 0 0 457.555 5.536 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000224851143 569960360 /nfs/dbraw/zinc/96/03/60/569960360.db2.gz DGHJIJANZJHQTA-JWQCQUIFSA-N 0 0 475.545 5.675 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)c1 ZINC000224850962 569960375 /nfs/dbraw/zinc/96/03/75/569960375.db2.gz QCWVAIJFOGJYPE-JWQCQUIFSA-N 0 0 457.555 5.536 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000224851278 569960382 /nfs/dbraw/zinc/96/03/82/569960382.db2.gz RNUMQSHOFKNVPM-LOSJGSFVSA-N 0 0 492.000 6.189 40 0 JKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000224855448 569960397 /nfs/dbraw/zinc/96/03/97/569960397.db2.gz NHAULYPNPADVIV-HSZRJFAPSA-N 0 0 472.488 5.612 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2c(C)c(C)n(-c3ccccc3)c2C)c1 ZINC000224856343 569960406 /nfs/dbraw/zinc/96/04/06/569960406.db2.gz PYBMOAZPDCUBNX-WUFINQPMSA-N 0 0 498.652 5.992 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c1 ZINC000224855356 569960408 /nfs/dbraw/zinc/96/04/08/569960408.db2.gz BOZLUIYQQNUHMG-DQEYMECFSA-N 0 0 462.619 5.583 40 0 JKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000224855408 569960419 /nfs/dbraw/zinc/96/04/19/569960419.db2.gz NHAULYPNPADVIV-QHCPKHFHSA-N 0 0 472.488 5.612 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 ZINC000224855619 569960426 /nfs/dbraw/zinc/96/04/26/569960426.db2.gz LNSZIVUXIOFONP-LOSJGSFVSA-N 0 0 456.571 5.067 40 0 JKABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2c(C)c(C)n(-c3ccccc3)c2C)c1 ZINC000224856303 569960430 /nfs/dbraw/zinc/96/04/30/569960430.db2.gz PYBMOAZPDCUBNX-IZLXSDGUSA-N 0 0 498.652 5.992 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 ZINC000224857741 569960470 /nfs/dbraw/zinc/96/04/70/569960470.db2.gz UDGSZJDMHVJIKT-VWLOTQADSA-N 0 0 494.657 5.392 40 0 JKABRN Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224857847 569960472 /nfs/dbraw/zinc/96/04/72/569960472.db2.gz HBHKBAGPOPHAFN-PMERELPUSA-N 0 0 482.668 5.935 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224859214 569960529 /nfs/dbraw/zinc/96/05/29/569960529.db2.gz RCBZXCBJCLRPKU-UHFFFAOYSA-N 0 0 492.519 5.290 40 0 JKABRN Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000224859488 569960533 /nfs/dbraw/zinc/96/05/33/569960533.db2.gz FCZJMPSPEHDKGD-SJORKVTESA-N 0 0 466.813 5.442 40 0 JKABRN Cc1cccc(C(C)C)c1N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O ZINC000224858994 569960536 /nfs/dbraw/zinc/96/05/36/569960536.db2.gz XNHYOAMRKYXOML-UHFFFAOYSA-N 0 0 454.636 5.315 40 0 JKABRN Cc1ccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224861167 569960579 /nfs/dbraw/zinc/96/05/79/569960579.db2.gz PNUFORRPLIMYHG-GDLZYMKVSA-N 0 0 498.667 5.690 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1Cc1cccnc1 ZINC000224861613 569960590 /nfs/dbraw/zinc/96/05/90/569960590.db2.gz PKGJXMZMAGPUFZ-LOSJGSFVSA-N 0 0 490.032 5.479 40 0 JKABRN Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000224859751 569960613 /nfs/dbraw/zinc/96/06/13/569960613.db2.gz QUSLSSIPLHVAEF-IAGOWNOFSA-N 0 0 466.813 5.442 40 0 JKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)nc1 ZINC000224862187 569960652 /nfs/dbraw/zinc/96/06/52/569960652.db2.gz VVKYNRUBZIULJX-GOTSBHOMSA-N 0 0 461.978 5.112 40 0 JKABRN CCOc1ccc(-c2cnc(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000224863300 569960666 /nfs/dbraw/zinc/96/06/66/569960666.db2.gz SLAKTRVMEJDPBC-UHFFFAOYSA-N 0 0 473.495 5.041 40 0 JKABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 ZINC000224864242 569960719 /nfs/dbraw/zinc/96/07/19/569960719.db2.gz IISQDSYKTWVTJI-BJKOFHAPSA-N 0 0 460.990 5.717 40 0 JKABRN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O ZINC000224863757 569960723 /nfs/dbraw/zinc/96/07/23/569960723.db2.gz DROQPNPNOQYWQL-ZEQRLZLVSA-N 0 0 476.989 5.417 40 0 JKABRN Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1C ZINC000224865423 569960779 /nfs/dbraw/zinc/96/07/79/569960779.db2.gz GDMGFSIEXKKOAM-MHZLTWQESA-N 0 0 477.048 5.664 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224867163 569960831 /nfs/dbraw/zinc/96/08/31/569960831.db2.gz MULJMKBSGNTLNI-HHHXNRCGSA-N 0 0 493.047 5.446 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C1CCCC1 ZINC000224866918 569960832 /nfs/dbraw/zinc/96/08/32/569960832.db2.gz WJLRFKQCISIQNL-RPWUZVMVSA-N 0 0 467.038 6.151 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224866196 569960854 /nfs/dbraw/zinc/96/08/54/569960854.db2.gz AVGWBGNIXFACLX-GDLZYMKVSA-N 0 0 484.640 5.381 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224867125 569960874 /nfs/dbraw/zinc/96/08/74/569960874.db2.gz MULJMKBSGNTLNI-MHZLTWQESA-N 0 0 493.047 5.446 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224867945 569960920 /nfs/dbraw/zinc/96/09/20/569960920.db2.gz URRRMXKJWOIJNU-LJAQVGFWSA-N 0 0 468.641 5.545 40 0 JKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccccc1 ZINC000224867234 569960930 /nfs/dbraw/zinc/96/09/30/569960930.db2.gz SDHYBNDKWSRAFQ-HSZRJFAPSA-N 0 0 479.448 5.732 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224867278 569960943 /nfs/dbraw/zinc/96/09/43/569960943.db2.gz MKIFDKFVLOXDJY-NDEPHWFRSA-N 0 0 489.059 5.890 40 0 JKABRN Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224868818 569960956 /nfs/dbraw/zinc/96/09/56/569960956.db2.gz JTLPYESAPBLCFG-SANMLTNESA-N 0 0 463.021 5.356 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C)cc1C ZINC000224869109 569961008 /nfs/dbraw/zinc/96/10/08/569961008.db2.gz KUFYJJVXKUSLNM-UHFFFAOYSA-N 0 0 478.492 5.564 40 0 JKABRN COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)o2)c(OC)c1 ZINC000224869029 569961013 /nfs/dbraw/zinc/96/10/13/569961013.db2.gz SIMIDJQBJVFGFP-UHFFFAOYSA-N 0 0 458.514 5.509 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](CC)C(=O)NCC(C)C)cc1 ZINC000224869988 569961046 /nfs/dbraw/zinc/96/10/46/569961046.db2.gz FWSLSJWEXUNBQW-HSZRJFAPSA-N 0 0 479.448 5.514 40 0 JKABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000224870152 569961053 /nfs/dbraw/zinc/96/10/53/569961053.db2.gz LTELFMXVARYQGK-QHCPKHFHSA-N 0 0 493.475 5.877 40 0 JKABRN O=C(CCc1ccccc1)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 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CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000408596812 569967075 /nfs/dbraw/zinc/96/70/75/569967075.db2.gz VBWYGGHUUMUKFA-UHFFFAOYSA-N 0 0 489.439 5.296 40 0 JKABRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1F ZINC000224981256 569967080 /nfs/dbraw/zinc/96/70/80/569967080.db2.gz MTKXAMFQXAHWRD-SANMLTNESA-N 0 0 496.623 5.363 40 0 JKABRN CCOc1ccccc1NC(=O)CSc1nnc(COc2cccc3ccccc32)n1CC ZINC000408596780 569967106 /nfs/dbraw/zinc/96/71/06/569967106.db2.gz URHOJRRDYWDEEB-UHFFFAOYSA-N 0 0 462.575 5.160 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224981506 569967121 /nfs/dbraw/zinc/96/71/21/569967121.db2.gz RMDXIHDVMCKILP-MHZLTWQESA-N 0 0 492.660 5.532 40 0 JKABRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc(Cl)c1 ZINC000224981820 569967122 /nfs/dbraw/zinc/96/71/22/569967122.db2.gz TWYPFPUINDFQIQ-VWLOTQADSA-N 0 0 482.983 5.023 40 0 JKABRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl ZINC000224982717 569967136 /nfs/dbraw/zinc/96/71/36/569967136.db2.gz NVQLJCZNXBBNKU-VWLOTQADSA-N 0 0 466.984 5.186 40 0 JKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224982642 569967230 /nfs/dbraw/zinc/96/72/30/569967230.db2.gz WTMISUQYVPCHNY-GDLZYMKVSA-N 0 0 486.631 5.684 40 0 JKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408597168 569967270 /nfs/dbraw/zinc/96/72/70/569967270.db2.gz XVOBXODMBIQESY-UHFFFAOYSA-N 0 0 487.412 6.068 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1C ZINC000224984220 569967248 /nfs/dbraw/zinc/96/72/48/569967248.db2.gz YXBHNOVWLXAGOK-UIOOFZCWSA-N 0 0 494.108 6.104 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1C ZINC000224984150 569967340 /nfs/dbraw/zinc/96/73/40/569967340.db2.gz YXBHNOVWLXAGOK-FTJBHMTQSA-N 0 0 494.108 6.104 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224985649 569967362 /nfs/dbraw/zinc/96/73/62/569967362.db2.gz OTRRNMXDBMOJOV-NDEPHWFRSA-N 0 0 488.603 5.212 40 0 JKABRN O=C(Cc1ccc(F)cc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224986544 569967370 /nfs/dbraw/zinc/96/73/70/569967370.db2.gz BMDYTEJHGAXWES-MHZLTWQESA-N 0 0 476.567 5.206 40 0 JKABRN O=C(COc1ccccc1F)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224985836 569967377 /nfs/dbraw/zinc/96/73/77/569967377.db2.gz AIIXGXGMCXUDHV-SANMLTNESA-N 0 0 492.566 5.043 40 0 JKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000408597382 569967385 /nfs/dbraw/zinc/96/73/85/569967385.db2.gz YQUIWESFMNERNO-UHFFFAOYSA-N 0 0 487.412 6.068 40 0 JKABRN O=C(COc1ccc(F)cc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224985929 569967402 /nfs/dbraw/zinc/96/74/02/569967402.db2.gz VVCXBUFAIJZOQF-MHZLTWQESA-N 0 0 492.566 5.043 40 0 JKABRN O=C(Cc1ccc(F)cc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224986585 569967434 /nfs/dbraw/zinc/96/74/34/569967434.db2.gz BMDYTEJHGAXWES-HHHXNRCGSA-N 0 0 476.567 5.206 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1Cl ZINC000408597585 569967539 /nfs/dbraw/zinc/96/75/39/569967539.db2.gz ZMOSGVMPEQMIER-UHFFFAOYSA-N 0 0 458.967 5.084 40 0 JKABRN O=C(Cc1ccccc1F)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224987482 569967542 /nfs/dbraw/zinc/96/75/42/569967542.db2.gz XDNYOIMRNOSQBY-MHZLTWQESA-N 0 0 476.567 5.206 40 0 JKABRN Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224987189 569967566 /nfs/dbraw/zinc/96/75/66/569967566.db2.gz OFLWHNNMSLVLOF-NDEPHWFRSA-N 0 0 472.604 5.376 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)cc1Cl ZINC000224987008 569967579 /nfs/dbraw/zinc/96/75/79/569967579.db2.gz RWRYWCKWBWECRT-UHFFFAOYSA-N 0 0 493.412 5.899 40 0 JKABRN CCC1(CC)C[C@H](NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2O1 ZINC000224989891 569967636 /nfs/dbraw/zinc/96/76/36/569967636.db2.gz BHTGCRIROFOHSJ-KRWDZBQOSA-N 0 0 452.776 5.680 40 0 JKABRN CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c2ccccc2O1 ZINC000224992101 569967791 /nfs/dbraw/zinc/96/77/91/569967791.db2.gz KLQJMLNKZXVRLL-QHCPKHFHSA-N 0 0 475.460 6.404 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000408598073 569967784 /nfs/dbraw/zinc/96/77/84/569967784.db2.gz ZKDXIQZIKWQXIT-CQSZACIVSA-N 0 0 490.412 5.427 40 0 JKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000224993525 569967885 /nfs/dbraw/zinc/96/78/85/569967885.db2.gz LLRRMEOTTMWLQW-UHFFFAOYSA-N 0 0 454.404 5.933 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)c(Cl)c1 ZINC000224997178 569968101 /nfs/dbraw/zinc/96/81/01/569968101.db2.gz KYRPWQDCCYYHRU-UHFFFAOYSA-N 0 0 450.947 5.855 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000224997716 569968155 /nfs/dbraw/zinc/96/81/55/569968155.db2.gz PUSRTTPSPPRPOP-RUZDIDTESA-N 0 0 482.668 6.117 40 0 JKABRN CCOC(=O)c1c(NC(=O)CSc2ccc3ccccc3c2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000408599832 569968177 /nfs/dbraw/zinc/96/81/77/569968177.db2.gz LWLHJJJDRNAUPL-LJQANCHMSA-N 0 0 481.683 6.960 40 0 JKABRN CCOc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1OCC ZINC000224998920 569968223 /nfs/dbraw/zinc/96/82/23/569968223.db2.gz BAIGPQNBUMOSOM-QHCPKHFHSA-N 0 0 494.676 5.325 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000224998701 569968264 /nfs/dbraw/zinc/96/82/64/569968264.db2.gz IXOOYGDAODGDIM-MOPGFXCFSA-N 0 0 489.454 5.283 40 0 JKABRN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000225001503 569968348 /nfs/dbraw/zinc/96/83/48/569968348.db2.gz YZLHSJKDCGBAIL-RPBOFIJWSA-N 0 0 480.081 5.970 40 0 JKABRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000225001542 569968378 /nfs/dbraw/zinc/96/83/78/569968378.db2.gz YZLHSJKDCGBAIL-LOSJGSFVSA-N 0 0 480.081 5.970 40 0 JKABRN CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccn(C)c3)cc2Cl)CC1 ZINC000225001671 569968396 /nfs/dbraw/zinc/96/83/96/569968396.db2.gz WADOTKIIIZZMIS-RPWUZVMVSA-N 0 0 466.054 5.487 40 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570093411 /nfs/dbraw/zinc/09/34/11/570093411.db2.gz JXCZMPIRYAQIQI-IBGZPJMESA-N 0 0 453.366 5.903 40 0 JKABRN CCOC(=O)C1=C(C)NC(SCc2c(C)cc(C)cc2C)=N[C@@H]1c1ccc(OC)cc1OC ZINC000408989490 570093467 /nfs/dbraw/zinc/09/34/67/570093467.db2.gz KUVMUDFLPKMQEY-XMMPIXPASA-N 0 0 468.619 5.400 40 0 JKABRN CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2Cl)=N[C@H]1c1ccc(OC)cc1OC ZINC000408989383 570093485 /nfs/dbraw/zinc/09/34/85/570093485.db2.gz KNPHBJFMSFFLPD-NRFANRHFSA-N 0 0 495.428 5.781 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N2C(c3ccc(-c4ccccc4)cc3)=CSC2=N1 ZINC000408989693 570093513 /nfs/dbraw/zinc/09/35/13/570093513.db2.gz LIRYMAIGWNLPHE-SSEXGKCCSA-N 0 0 499.639 7.724 40 0 JKABRN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(c4ccc(C)cc4)N32)ccc1C ZINC000408991197 570094066 /nfs/dbraw/zinc/09/40/66/570094066.db2.gz POAUSPWZRWKGIG-HHHXNRCGSA-N 0 0 481.621 6.683 40 0 JKABRN O=C(Oc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1)c1cccc(Cl)c1 ZINC000408991079 570094120 /nfs/dbraw/zinc/09/41/20/570094120.db2.gz 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COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)ccc1OCc1cccc(F)c1 ZINC000408992917 570094573 /nfs/dbraw/zinc/09/45/73/570094573.db2.gz UZMMQQMSWNJHDJ-UHFFFAOYSA-N 0 0 464.562 6.450 40 0 JKABRN O=c1[nH]c(-c2ccc(-c3ccc(Br)cc3)o2)nc2sc3c(c21)CCCCCC3 ZINC000408992850 570094590 /nfs/dbraw/zinc/09/45/90/570094590.db2.gz USLVEVUHKMHQFJ-UHFFFAOYSA-N 0 0 455.377 6.745 40 0 JKABRN CCOC(=O)C1=C(c2ccccc2)NC(SCc2ccccc2Cl)=N[C@H]1c1ccccc1 ZINC000408992647 570094599 /nfs/dbraw/zinc/09/45/99/570094599.db2.gz UOEXKACIQBBGBX-QHCPKHFHSA-N 0 0 463.002 6.248 40 0 JKABRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OCc1c(C)cc(C)cc1C ZINC000408993666 570094831 /nfs/dbraw/zinc/09/48/31/570094831.db2.gz XBQYDTFIGMTKGE-UHFFFAOYSA-N 0 0 474.626 6.846 40 0 JKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H]5[C@H]6OC(=O)[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000253388536 570095485 /nfs/dbraw/zinc/09/54/85/570095485.db2.gz LRSKMNLPUCXLLZ-XYZFSWDMSA-N 0 0 498.748 7.335 40 0 biogenic JKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@H]5[C@H]6OC(=O)[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000253388535 570095523 /nfs/dbraw/zinc/09/55/23/570095523.db2.gz LRSKMNLPUCXLLZ-OPYRRVBFSA-N 0 0 498.748 7.335 40 0 biogenic JKABRN CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000408996908 570095577 /nfs/dbraw/zinc/09/55/77/570095577.db2.gz BNVKDXSCFFWUGF-QHCPKHFHSA-N 0 0 499.836 6.014 40 0 JKABRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12)Oc1ccccc1 ZINC000408998710 570095797 /nfs/dbraw/zinc/09/57/97/570095797.db2.gz BVOMKCNKJLVCBA-DEOSSOPVSA-N 0 0 450.494 5.924 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000408998260 570095824 /nfs/dbraw/zinc/09/58/24/570095824.db2.gz LCFPNBRILSMIPC-DEOSSOPVSA-N 0 0 461.949 5.606 40 0 JKABRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Br)c1)c1ccccc1 ZINC000408998670 570095825 /nfs/dbraw/zinc/09/58/25/570095825.db2.gz NMRDUBMYOYHTTD-HXUWFJFHSA-N 0 0 457.755 5.082 40 0 JKABRN CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000408999177 570095935 /nfs/dbraw/zinc/09/59/35/570095935.db2.gz POXBZQIFRKRLPW-JOCHJYFZSA-N 0 0 460.530 5.635 40 0 JKABRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000409001091 570096307 /nfs/dbraw/zinc/09/63/07/570096307.db2.gz GRGJLRRBLORSKK-UHFFFAOYSA-N 0 0 469.581 5.409 40 0 JKABRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409001366 570096467 /nfs/dbraw/zinc/09/64/67/570096467.db2.gz IAHZSNMKIOVJAB-WBEIEIIQSA-N 0 0 478.636 6.654 40 0 JKABRN CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000409001527 570096505 /nfs/dbraw/zinc/09/65/05/570096505.db2.gz IXHYUPIFRRADEA-FQEVSTJZSA-N 0 0 492.801 5.516 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000409002790 570096711 /nfs/dbraw/zinc/09/67/11/570096711.db2.gz APZUVZKURDSWBD-UHFFFAOYSA-N 0 0 499.858 5.373 40 0 JKABRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)O1 ZINC000409002911 570096696 /nfs/dbraw/zinc/09/66/96/570096696.db2.gz CHZMDAAUKLPHQW-NDENLUEZSA-N 0 0 468.292 5.566 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000409002868 570096733 /nfs/dbraw/zinc/09/67/33/570096733.db2.gz BVMSSHINJMTLBG-UHFFFAOYSA-N 0 0 491.440 5.748 40 0 JKABRN O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000409003067 570096852 /nfs/dbraw/zinc/09/68/52/570096852.db2.gz CUWXVAVTOIHYDB-UHFFFAOYSA-N 0 0 497.831 5.154 40 0 JKABRN CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)O2)cc1 ZINC000409003751 570097094 /nfs/dbraw/zinc/09/70/94/570097094.db2.gz KSNNZALRCDHKKS-ULJHMMPZSA-N 0 0 475.928 6.083 40 0 JKABRN CCCCOc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4)c(OCC)c3)C(=O)O2)cc1 ZINC000409003622 570097097 /nfs/dbraw/zinc/09/70/97/570097097.db2.gz IQNCJXIVQHYTFQ-BWAHOGKJSA-N 0 0 471.553 6.188 40 0 JKABRN C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000409003667 570097149 /nfs/dbraw/zinc/09/71/49/570097149.db2.gz UAMQXZNCLWEFMU-NLFFAJNJSA-N 0 0 460.574 5.791 40 0 JKABRN CCCCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1 ZINC000409003621 570097161 /nfs/dbraw/zinc/09/71/61/570097161.db2.gz IQJDNNHFMXPJPJ-UQQQWYQISA-N 0 0 461.945 6.442 40 0 JKABRN Cc1ccc(CN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000409003969 570097212 /nfs/dbraw/zinc/09/72/12/570097212.db2.gz MWRQQOXIOGTKPL-UHFFFAOYSA-N 0 0 496.938 5.497 40 0 JKABRN CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000409004197 570097325 /nfs/dbraw/zinc/09/73/25/570097325.db2.gz WWMGTOTVBOTWRV-RUZDIDTESA-N 0 0 495.616 5.570 40 0 JKABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000409004104 570097331 /nfs/dbraw/zinc/09/73/31/570097331.db2.gz ALWFFMJFDPEWLT-UHFFFAOYSA-N 0 0 497.831 5.154 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000409004124 570097342 /nfs/dbraw/zinc/09/73/42/570097342.db2.gz ARYLIRIVDKLLGI-GOSISDBHSA-N 0 0 491.440 5.370 40 0 JKABRN CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409005979 570097885 /nfs/dbraw/zinc/09/78/85/570097885.db2.gz HUVMQAGWEWDRAY-YVLHZVERSA-N 0 0 451.375 5.049 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1C ZINC000409004379 570097477 /nfs/dbraw/zinc/09/74/77/570097477.db2.gz AVPRNGUEMIFFTE-CYBMUJFWSA-N 0 0 452.363 5.864 40 0 JKABRN Cc1cc(C)cc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(Cl)cc3Cl)o2)c1 ZINC000409004415 570097494 /nfs/dbraw/zinc/09/74/94/570097494.db2.gz BAEXJCORJOKOEC-CYBMUJFWSA-N 0 0 452.363 5.864 40 0 JKABRN Cc1c(F)cccc1NC(=O)CSc1nnc([C@H](C)Oc2ccc(Cl)cc2Cl)o1 ZINC000409004576 570097500 /nfs/dbraw/zinc/09/75/00/570097500.db2.gz BSGAJRSXVOIYRX-NSHDSACASA-N 0 0 456.326 5.695 40 0 JKABRN Cc1ccc(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409004839 570097567 /nfs/dbraw/zinc/09/75/67/570097567.db2.gz FGCVWKFPVXJAST-UHFFFAOYSA-N 0 0 481.376 5.271 40 0 JKABRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3ccccc3F)c(OC)c2)C(=O)O1 ZINC000409004756 570097610 /nfs/dbraw/zinc/09/76/10/570097610.db2.gz QSKPUBDJDHVLQS-ODLFYWEKSA-N 0 0 481.863 5.060 40 0 JKABRN Cc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000409004802 570097624 /nfs/dbraw/zinc/09/76/24/570097624.db2.gz RZMQYEJCYATIMU-UHFFFAOYSA-N 0 0 455.407 5.264 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409005062 570097696 /nfs/dbraw/zinc/09/76/96/570097696.db2.gz DBLZPTABAXCAJI-HAHDFKILSA-N 0 0 497.975 6.346 40 0 JKABRN CCCCOc1ccc(C2=N/C(=C/c3ccc(OCc4ccc(F)cc4)c(OCC)c3)C(=O)O2)cc1 ZINC000409005235 570097733 /nfs/dbraw/zinc/09/77/33/570097733.db2.gz SRENAMBXDMTTHV-UQQQWYQISA-N 0 0 489.543 6.327 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409005238 570097742 /nfs/dbraw/zinc/09/77/42/570097742.db2.gz SSZMVBOISFIMMS-UHFFFAOYSA-N 0 0 455.407 5.264 40 0 JKABRN CSc1cccc(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000409005659 570097800 /nfs/dbraw/zinc/09/78/00/570097800.db2.gz JAYOPCTZNUXFCB-UHFFFAOYSA-N 0 0 495.453 5.545 40 0 JKABRN O=C1S/C(=C\c2ccccc2OCc2ccc(Br)cc2)C(=O)N1CCc1ccccc1 ZINC000409005963 570097888 /nfs/dbraw/zinc/09/78/88/570097888.db2.gz HNOBGQRTANQQPI-KQWNVCNZSA-N 0 0 494.410 6.307 40 0 JKABRN Cc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000409006161 570098032 /nfs/dbraw/zinc/09/80/32/570098032.db2.gz XYIGIGVIKHARSJ-UHFFFAOYSA-N 0 0 463.386 5.131 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)Cc2c(F)cccc2Cl)cc1 ZINC000409006593 570098132 /nfs/dbraw/zinc/09/81/32/570098132.db2.gz PTUUTTCQSPNQCK-UHFFFAOYSA-N 0 0 481.376 5.271 40 0 JKABRN Cc1cc(C)cc(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000409006282 570098136 /nfs/dbraw/zinc/09/81/36/570098136.db2.gz ZYMPUQPYRPYCCL-UHFFFAOYSA-N 0 0 477.413 5.440 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc([C@H](C)Oc2ccc(Cl)cc2Cl)o1 ZINC000409006474 570098140 /nfs/dbraw/zinc/09/81/40/570098140.db2.gz JUGSTGQYDRAZTA-NSHDSACASA-N 0 0 472.781 6.209 40 0 JKABRN O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1cc(Cl)ccc1Cl ZINC000409006753 570098262 /nfs/dbraw/zinc/09/82/62/570098262.db2.gz LGEOJAYQLXLLHR-UHFFFAOYSA-N 0 0 460.342 5.839 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccc(Br)cc2)o1 ZINC000409006713 570098298 /nfs/dbraw/zinc/09/82/98/570098298.db2.gz KVHNCPLFUKDVOC-SNVBAGLBSA-N 0 0 460.180 6.571 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)Cc2c(F)cccc2Cl)cc1 ZINC000409007716 570098453 /nfs/dbraw/zinc/09/84/53/570098453.db2.gz ZDTBSVDEZKDTQH-UHFFFAOYSA-N 0 0 474.985 5.234 40 0 JKABRN O=C1S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1CCc1ccccc1 ZINC000409007972 570098502 /nfs/dbraw/zinc/09/85/02/570098502.db2.gz TVPWJXZVCRPLQZ-HAHDFKILSA-N 0 0 484.404 6.851 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 ZINC000409008182 570098573 /nfs/dbraw/zinc/09/85/73/570098573.db2.gz VYYFQXZJNQSZJS-CYBMUJFWSA-N 0 0 474.369 6.400 40 0 JKABRN COc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409008341 570098591 /nfs/dbraw/zinc/09/85/91/570098591.db2.gz WEUMLXSTCBWKCG-HJWRWDBZSA-N 0 0 462.546 5.428 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000409008423 570098711 /nfs/dbraw/zinc/09/87/11/570098711.db2.gz YFGMZLQVBORQIN-VIFPVBQESA-N 0 0 493.199 6.554 40 0 JKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)cc1 ZINC000409008694 570098740 /nfs/dbraw/zinc/09/87/40/570098740.db2.gz ACOLSOIGYLBBIC-HAHDFKILSA-N 0 0 478.342 5.771 40 0 JKABRN CC[C@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C1=O ZINC000409008914 570098839 /nfs/dbraw/zinc/09/88/39/570098839.db2.gz AEYMIUSCESGRRI-YQCVNYCESA-N 0 0 451.975 6.907 40 0 JKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)O2)cc1 ZINC000409008997 570098847 /nfs/dbraw/zinc/09/88/47/570098847.db2.gz QJBFBMQTHVEDBB-JCMHNJIXSA-N 0 0 492.325 5.412 40 0 JKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)C(=O)O2)cc1 ZINC000409008770 570098850 /nfs/dbraw/zinc/09/88/50/570098850.db2.gz GPDUGGFPTUGCHT-HAHDFKILSA-N 0 0 461.489 5.547 40 0 JKABRN CCOc1ccc(C2=N/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)C(=O)O2)cc1 ZINC000409008776 570098854 /nfs/dbraw/zinc/09/88/54/570098854.db2.gz GZADOBQWGQZSAQ-OEAKJJBVSA-N 0 0 451.881 5.801 40 0 JKABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409009146 570098940 /nfs/dbraw/zinc/09/89/40/570098940.db2.gz BRRQCWSFLKWFCH-RVZJCZPVSA-N 0 0 489.977 5.224 40 0 JKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4Cl)c(OCC)c3)C(=O)O2)cc1 ZINC000409009180 570098968 /nfs/dbraw/zinc/09/89/68/570098968.db2.gz YPLZKONGTIMXDP-JCMHNJIXSA-N 0 0 491.927 5.701 40 0 JKABRN CCOc1ccc(C2=N/C(=C/c3ccc(OCc4c(F)cccc4Cl)c(OCC)c3)C(=O)O2)cc1 ZINC000409009037 570098982 /nfs/dbraw/zinc/09/89/82/570098982.db2.gz RMNMWJYWSJVXFD-OEAKJJBVSA-N 0 0 495.934 6.200 40 0 JKABRN Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000409009382 570099109 /nfs/dbraw/zinc/09/91/09/570099109.db2.gz FADNSPCZLXESBE-WGOQTCKBSA-N 0 0 466.512 5.959 40 0 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ZINC000409011148 570099586 /nfs/dbraw/zinc/09/95/86/570099586.db2.gz DVHSWFPCVCLJBW-UHFFFAOYSA-N 0 0 488.396 6.272 40 0 JKABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(I)c2)C1=O ZINC000409011190 570099616 /nfs/dbraw/zinc/09/96/16/570099616.db2.gz MRZYYSRDDBUFKA-BXUJETTOSA-N 0 0 493.366 5.705 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409011460 570099699 /nfs/dbraw/zinc/09/96/99/570099699.db2.gz GRNOMTYIKNJEIX-PCLIKHOPSA-N 0 0 498.966 6.568 40 0 JKABRN O=C1NC(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1c1ccccc1 ZINC000409011653 570099790 /nfs/dbraw/zinc/09/97/90/570099790.db2.gz GZIVJYUXKRKALT-LPYMAVHISA-N 0 0 462.336 6.094 40 0 JKABRN C[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000409011706 570099803 /nfs/dbraw/zinc/09/98/03/570099803.db2.gz IEEOPXHSBHHOQX-GOSISDBHSA-N 0 0 491.440 5.104 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409011657 570099806 /nfs/dbraw/zinc/09/98/06/570099806.db2.gz 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ZINC000409184684 570160483 /nfs/dbraw/zinc/16/04/83/570160483.db2.gz ZNNDJXMGRLLCDA-DEOSSOPVSA-N 0 0 490.770 6.533 40 0 JKABRN COc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Cl ZINC000409185362 570160641 /nfs/dbraw/zinc/16/06/41/570160641.db2.gz XZIBKRVADCXZNF-DEOSSOPVSA-N 0 0 452.963 5.375 40 0 JKABRN O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409187645 570160997 /nfs/dbraw/zinc/16/09/97/570160997.db2.gz AHMDVKCTQQZSJQ-DEDYPNTBSA-N 0 0 458.391 7.386 40 0 JKABRN CCOc1ccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc(OC)cc3)C(=O)O2)cc1OCC ZINC000409188313 570161099 /nfs/dbraw/zinc/16/10/99/570161099.db2.gz GKBMLFBLSPHFMW-JWGURIENSA-N 0 0 487.508 5.056 40 0 JKABRN CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000409189409 570161324 /nfs/dbraw/zinc/16/13/24/570161324.db2.gz GGRXNUAEUTUTBK-CKWWZSKKSA-N 0 0 487.939 6.010 40 0 JKABRN Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409189205 570161410 /nfs/dbraw/zinc/16/14/10/570161410.db2.gz FSEQSWFIFXEMFW-HYARGMPZSA-N 0 0 478.957 5.907 40 0 JKABRN CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000409190301 570161714 /nfs/dbraw/zinc/16/17/14/570161714.db2.gz RTMUNYXJQMYNTF-JYBPRETJSA-N 0 0 473.912 5.702 40 0 JKABRN CC(=O)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000409190595 570161776 /nfs/dbraw/zinc/16/17/76/570161776.db2.gz ZYVCCHLQPGNDAG-CHHVJCJISA-N 0 0 499.542 5.135 40 0 JKABRN O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409191126 570162009 /nfs/dbraw/zinc/16/20/09/570162009.db2.gz STNWSRYTLWDVKU-PKNBQFBNSA-N 0 0 484.883 5.082 40 0 JKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccco4)c(OCC)c3)C(=O)O2)cc1OCC ZINC000409191486 570162088 /nfs/dbraw/zinc/16/20/88/570162088.db2.gz XCXYUVDQEAIACW-RGEXLXHISA-N 0 0 491.496 5.039 40 0 JKABRN O=C1S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409191541 570162093 /nfs/dbraw/zinc/16/20/93/570162093.db2.gz YQVYLEYAQCNZKG-UDWIEESQSA-N 0 0 490.795 7.467 40 0 JKABRN CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O ZINC000409191547 570162128 /nfs/dbraw/zinc/16/21/28/570162128.db2.gz YUAIYHZUKAUWCB-GIDUJCDVSA-N 0 0 490.568 5.511 40 0 JKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409191429 570162150 /nfs/dbraw/zinc/16/21/50/570162150.db2.gz HDHKZAAQFCYUAI-MBNTZHJCSA-N 0 0 466.784 6.521 40 0 JKABRN COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000409191757 570162152 /nfs/dbraw/zinc/16/21/52/570162152.db2.gz MKPOFQWOGNCCFU-MOSHPQCFSA-N 0 0 492.325 5.330 40 0 JKABRN CCOc1cc(Br)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409192349 570162385 /nfs/dbraw/zinc/16/23/85/570162385.db2.gz WOEYMOUCNUXQNS-VCHYOVAHSA-N 0 0 482.783 6.141 40 0 JKABRN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000260897252 570162448 /nfs/dbraw/zinc/16/24/48/570162448.db2.gz KDORKIUTOWFISH-HXUWFJFHSA-N 0 0 485.049 5.818 40 0 JKABRN O=C(Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O)c1ccc2c(c1)OCO2 ZINC000409192900 570162481 /nfs/dbraw/zinc/16/24/81/570162481.db2.gz FTYVOQHTCMXYMX-NVMNQCDNSA-N 0 0 482.275 5.286 40 0 JKABRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409192605 570162548 /nfs/dbraw/zinc/16/25/48/570162548.db2.gz FHHZRUUJYUEKRL-LICLKQGHSA-N 0 0 482.341 5.185 40 0 JKABRN Fc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2F)cc1 ZINC000409193162 570162618 /nfs/dbraw/zinc/16/26/18/570162618.db2.gz DFESKAYXUNJVTB-UHFFFAOYSA-N 0 0 483.150 6.681 40 0 JKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(OCC)cc2)nc1-c1cc(C)ccc1C ZINC000409193097 570162648 /nfs/dbraw/zinc/16/26/48/570162648.db2.gz BPGDWFZEAGZEKL-UHFFFAOYSA-N 0 0 450.604 6.380 40 0 JKABRN CCOc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409193624 570162770 /nfs/dbraw/zinc/16/27/70/570162770.db2.gz IBWKCZOAYSVFDE-UHFFFAOYSA-N 0 0 464.762 6.831 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC(C)C ZINC000409193427 570162780 /nfs/dbraw/zinc/16/27/80/570162780.db2.gz KERDEXFCTKGXIL-LICLKQGHSA-N 0 0 482.783 6.139 40 0 JKABRN CCCOc1c(I)cc(CNc2ccc(Br)cc2)cc1OC ZINC000409193991 570162836 /nfs/dbraw/zinc/16/28/36/570162836.db2.gz JUCCLQIZDYCDQA-UHFFFAOYSA-N 0 0 476.152 5.463 40 0 JKABRN Clc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1Cl ZINC000409193920 570162878 /nfs/dbraw/zinc/16/28/78/570162878.db2.gz HWJVLSOPYYRZNN-UHFFFAOYSA-N 0 0 477.218 8.645 40 0 JKABRN Fc1ccc(NCc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409194261 570162972 /nfs/dbraw/zinc/16/29/72/570162972.db2.gz IZISZNPFIHBBMZ-UHFFFAOYSA-N 0 0 499.605 7.195 40 0 JKABRN O=C(COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccccc1 ZINC000409194203 570162976 /nfs/dbraw/zinc/16/29/76/570162976.db2.gz OTOSSXWEIGPFJM-KGENOOAVSA-N 0 0 464.930 5.598 40 0 JKABRN Cc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Br)cc1 ZINC000409194447 570163108 /nfs/dbraw/zinc/16/31/08/570163108.db2.gz BZFXTLGRRZGQJD-UHFFFAOYSA-N 0 0 451.191 7.255 40 0 JKABRN COc1ccc(OC)c(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)cc3)s2)c1 ZINC000409194887 570163181 /nfs/dbraw/zinc/16/31/81/570163181.db2.gz DWDPYRWJSJHNCQ-UHFFFAOYSA-N 0 0 486.593 6.404 40 0 JKABRN COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000409194701 570163219 /nfs/dbraw/zinc/16/32/19/570163219.db2.gz QPUVGIOSILGSLE-CXUHLZMHSA-N 0 0 458.253 5.159 40 0 JKABRN CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCCOc1ccccc1OC ZINC000409194823 570163223 /nfs/dbraw/zinc/16/32/23/570163223.db2.gz NCVDQKGOPQSYIF-UHFFFAOYSA-N 0 0 463.599 5.286 40 0 JKABRN COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409194747 570163259 /nfs/dbraw/zinc/16/32/59/570163259.db2.gz QTIHARDIXADLTG-UHFFFAOYSA-N 0 0 495.225 7.620 40 0 JKABRN COc1cc(-c2nc3ccccc3s2)cc(I)c1OCc1ccccc1F ZINC000409195161 570163314 /nfs/dbraw/zinc/16/33/14/570163314.db2.gz RTGGCCBLFDHKMZ-UHFFFAOYSA-N 0 0 491.325 6.295 40 0 JKABRN C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccs3)cc2Cl)C1 ZINC000260911661 570163384 /nfs/dbraw/zinc/16/33/84/570163384.db2.gz CPOYYFKFEZRLKX-UOIPHLHCSA-N 0 0 483.106 6.456 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000409195623 570163423 /nfs/dbraw/zinc/16/34/23/570163423.db2.gz RGDSPFQFLLITCF-HYARGMPZSA-N 0 0 462.933 5.411 40 0 JKABRN CC(C)c1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccccc2)cc1 ZINC000260912041 570163422 /nfs/dbraw/zinc/16/34/22/570163422.db2.gz AGWABGMUHAHYNI-OAQYLSRUSA-N 0 0 476.642 5.371 40 0 JKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)o1 ZINC000260912174 570163438 /nfs/dbraw/zinc/16/34/38/570163438.db2.gz FLKRZWWFHUVKSG-ZGNKEGEESA-N 0 0 453.995 5.455 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409195896 570163446 /nfs/dbraw/zinc/16/34/46/570163446.db2.gz RXXDTVROMRMYBN-FYJGNVAPSA-N 0 0 493.357 5.130 40 0 JKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Br)cc3)n2C)cc1C ZINC000409196168 570163605 /nfs/dbraw/zinc/16/36/05/570163605.db2.gz NSXYJIZMSHTPQQ-RFBIWTDZSA-N 0 0 477.427 6.541 40 0 JKABRN CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000409196701 570163701 /nfs/dbraw/zinc/16/37/01/570163701.db2.gz YQHQMEFWZJHZLV-UHFFFAOYSA-N 0 0 457.393 6.127 40 0 JKABRN O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)Nc1ccc(Oc2ccccc2)cc1 ZINC000409196493 570163704 /nfs/dbraw/zinc/16/37/04/570163704.db2.gz ZQOSBAATKGDJBI-ISLYRVAYSA-N 0 0 474.538 5.202 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c2cccc(C)c2C)cc1 ZINC000260914830 570163772 /nfs/dbraw/zinc/16/37/72/570163772.db2.gz BRWGTTLYHFTAFI-JOCHJYFZSA-N 0 0 476.642 5.173 40 0 JKABRN CC[C@@H](C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000260915066 570163781 /nfs/dbraw/zinc/16/37/81/570163781.db2.gz CJYPGGLVNJJHFC-YKSBVNFPSA-N 0 0 474.667 5.166 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c2ccc(C)cc2C)cc1 ZINC000260915110 570163791 /nfs/dbraw/zinc/16/37/91/570163791.db2.gz CNWQQIQPIYRCRP-XMMPIXPASA-N 0 0 478.658 5.610 40 0 JKABRN O=C1N/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000409196924 570163810 /nfs/dbraw/zinc/16/38/10/570163810.db2.gz SKIYGEYFJQQHEH-QRVIBDJDSA-N 0 0 476.363 6.089 40 0 JKABRN COc1ccc(-c2c(-c3ccccc3)sc(=NC(=O)C(c3ccccc3)c3ccccc3)n2C)cc1 ZINC000409196811 570163811 /nfs/dbraw/zinc/16/38/11/570163811.db2.gz XYXVBQJDJYZFCY-MVJHLKBCSA-N 0 0 490.628 6.689 40 0 JKABRN C[C@@]12C(=O)N(c3ccccc3OC(=O)c3cccs3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000409196909 570163817 /nfs/dbraw/zinc/16/38/17/570163817.db2.gz RYQZASDRUSDKCL-ZCPMNMJCSA-N 0 0 491.568 5.754 40 0 JKABRN CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1cccc2ccccc21 ZINC000409197050 570163824 /nfs/dbraw/zinc/16/38/24/570163824.db2.gz UVVLFFQYNVYEAM-UHFFFAOYSA-N 0 0 462.387 7.192 40 0 JKABRN Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)O2)cc1Cl ZINC000409196996 570163830 /nfs/dbraw/zinc/16/38/30/570163830.db2.gz ZIBOSBNJPNCOAS-LSHDLFTRSA-N 0 0 472.755 6.879 40 0 JKABRN CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000260917413 570163854 /nfs/dbraw/zinc/16/38/54/570163854.db2.gz 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O=C(NCc1ccc(F)c(F)c1)c1nc(-c2cnc(NCc3ccccc3)s2)n2ccccc12 ZINC000306141436 570178658 /nfs/dbraw/zinc/17/86/58/570178658.db2.gz VWDKEIWKXMKKMM-UHFFFAOYSA-N 0 0 475.524 5.278 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409233524 570178823 /nfs/dbraw/zinc/17/88/23/570178823.db2.gz KXQADFUYFFFCLF-LPYMAVHISA-N 0 0 462.933 5.329 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000409234084 570178902 /nfs/dbraw/zinc/17/89/02/570178902.db2.gz YVJUZMAWQSEEAQ-FYJGNVAPSA-N 0 0 450.922 5.384 40 0 JKABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O ZINC000409234361 570178994 /nfs/dbraw/zinc/17/89/94/570178994.db2.gz ZONFHLORLCTLLE-HZHRSRAPSA-N 0 0 492.000 5.585 40 0 JKABRN CCc1cccc(CC)c1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409234862 570179233 /nfs/dbraw/zinc/17/92/33/570179233.db2.gz NKRGYJDOMKSXOQ-HXUWFJFHSA-N 0 0 464.631 5.422 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccncc2)n1 ZINC000328957047 570179235 /nfs/dbraw/zinc/17/92/35/570179235.db2.gz AISHRBZAZLKNMJ-UHFFFAOYSA-N 0 0 466.305 6.274 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cccc(SC(F)(F)F)c3)nc(NC3CC3)n2)c1 ZINC000328957942 570179283 /nfs/dbraw/zinc/17/92/83/570179283.db2.gz AMKOIGMUNDVLMY-UHFFFAOYSA-N 0 0 486.441 5.816 40 0 JKABRN CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000328957232 570179328 /nfs/dbraw/zinc/17/93/28/570179328.db2.gz AJSAHFQMDKTVKI-UHFFFAOYSA-N 0 0 457.803 6.322 40 0 JKABRN FC(F)(F)Oc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c1 ZINC000328960450 570179377 /nfs/dbraw/zinc/17/93/77/570179377.db2.gz AYCJCAFXKMXRAX-UHFFFAOYSA-N 0 0 498.427 5.883 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328961415 570179395 /nfs/dbraw/zinc/17/93/95/570179395.db2.gz BCFQQAQBGRYSQB-LBPRGKRZSA-N 0 0 471.310 6.147 40 0 JKABRN CC(C)(C)Nc1nc(Nc2c(F)cc(F)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328961001 570179463 /nfs/dbraw/zinc/17/94/63/570179463.db2.gz AZYOVMPTYVSDPI-UHFFFAOYSA-N 0 0 456.390 6.414 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(C)C)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328960592 570179464 /nfs/dbraw/zinc/17/94/64/570179464.db2.gz AZJWSGWKSGAGHM-QGZVFWFLSA-N 0 0 458.528 7.428 40 0 JKABRN Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000409235474 570179476 /nfs/dbraw/zinc/17/94/76/570179476.db2.gz QJBPRQRVNNJUBG-OEAKJJBVSA-N 0 0 492.984 5.902 40 0 JKABRN O=C1NC(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000409235425 570179501 /nfs/dbraw/zinc/17/95/01/570179501.db2.gz PSAGXJQSLGDTRM-WSDLNYQXSA-N 0 0 496.781 6.747 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328963761 570179514 /nfs/dbraw/zinc/17/95/14/570179514.db2.gz BQNSTSKBMBXQFA-ZDUSSCGKSA-N 0 0 465.317 5.723 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 ZINC000409235570 570179532 /nfs/dbraw/zinc/17/95/32/570179532.db2.gz CHXNJMDRTLOHRE-INIZCTEOSA-N 0 0 477.413 5.604 40 0 JKABRN Fc1cc(Br)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000328962965 570179554 /nfs/dbraw/zinc/17/95/54/570179554.db2.gz BLRLVEGOXQBQTN-UHFFFAOYSA-N 0 0 483.263 5.106 40 0 JKABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1)c1ccccc1 ZINC000409235841 570179633 /nfs/dbraw/zinc/17/96/33/570179633.db2.gz CLNYZSGMWPNDRO-QGZVFWFLSA-N 0 0 487.419 5.060 40 0 JKABRN CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000409235642 570179656 /nfs/dbraw/zinc/17/96/56/570179656.db2.gz PLZBFCRAWWXKSQ-UHFFFAOYSA-N 0 0 464.631 5.122 40 0 JKABRN FC(F)(F)c1cc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)ccc1Br ZINC000328966232 570179677 /nfs/dbraw/zinc/17/96/77/570179677.db2.gz CJNGSTDPDUIMPS-UHFFFAOYSA-N 0 0 491.355 6.257 40 0 JKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)ccc1C(C)C ZINC000328966225 570179719 /nfs/dbraw/zinc/17/97/19/570179719.db2.gz CJGJDDYTGSGOEB-QHCPKHFHSA-N 0 0 488.554 6.646 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1 ZINC000409235933 570179735 /nfs/dbraw/zinc/17/97/35/570179735.db2.gz QPWPKRPWSNAZHU-INIZCTEOSA-N 0 0 477.413 5.604 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000409236181 570179778 /nfs/dbraw/zinc/17/97/78/570179778.db2.gz DTSBGVHGQCDHMO-HYARGMPZSA-N 0 0 467.974 6.527 40 0 JKABRN CC(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328969880 570179834 /nfs/dbraw/zinc/17/98/34/570179834.db2.gz DFKCFTUSQQLEEE-UHFFFAOYSA-N 0 0 481.316 5.081 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)C1=O ZINC000409236266 570179920 /nfs/dbraw/zinc/17/99/20/570179920.db2.gz FXSILOKBUXNUNJ-XDHOZWIPSA-N 0 0 480.355 5.240 40 0 JKABRN Cc1cccc(Cl)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328970368 570179955 /nfs/dbraw/zinc/17/99/55/570179955.db2.gz DKEZEXLRBKLNKU-IBGZPJMESA-N 0 0 480.918 6.176 40 0 JKABRN Cc1cccc(Cl)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](CO)C(C)C)n1 ZINC000328970369 570179991 /nfs/dbraw/zinc/17/99/91/570179991.db2.gz DKEZEXLRBKLNKU-LJQANCHMSA-N 0 0 480.918 6.176 40 0 JKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000328972158 570180003 /nfs/dbraw/zinc/18/00/03/570180003.db2.gz DULZPDKAVKKXNV-UHFFFAOYSA-N 0 0 496.455 6.311 40 0 JKABRN CCc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328973612 570180064 /nfs/dbraw/zinc/18/00/64/570180064.db2.gz FBBIVLYKMYHDHN-NRFANRHFSA-N 0 0 474.527 6.085 40 0 JKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)ccc1F ZINC000328974252 570180139 /nfs/dbraw/zinc/18/01/39/570180139.db2.gz FEWOKQAKHQUIQC-FQEVSTJZSA-N 0 0 464.463 5.662 40 0 JKABRN Cc1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](CO)C(C)C)n1 ZINC000328974182 570180176 /nfs/dbraw/zinc/18/01/76/570180176.db2.gz FDUKPJNLMUUPSF-HXUWFJFHSA-N 0 0 480.918 6.176 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328975195 570180205 /nfs/dbraw/zinc/18/02/05/570180205.db2.gz FJSUQYCFNOCYRD-IBGZPJMESA-N 0 0 484.881 6.007 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328977255 570180237 /nfs/dbraw/zinc/18/02/37/570180237.db2.gz FSTRCQVTUFIIHC-LBPRGKRZSA-N 0 0 471.310 6.147 40 0 JKABRN CC(C)Nc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328976094 570180256 /nfs/dbraw/zinc/18/02/56/570180256.db2.gz FNGJYEVCWNBMQF-UHFFFAOYSA-N 0 0 472.298 6.608 40 0 JKABRN Cc1cc(C)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c(C)c1 ZINC000328978274 570180276 /nfs/dbraw/zinc/18/02/76/570180276.db2.gz FXFBYBKEQVPYDW-UHFFFAOYSA-N 0 0 456.512 5.909 40 0 JKABRN CC(C)Nc1nc(Nc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328977907 570180283 /nfs/dbraw/zinc/18/02/83/570180283.db2.gz FXAATYTVUSVADX-UHFFFAOYSA-N 0 0 467.289 5.212 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000409237537 570180336 /nfs/dbraw/zinc/18/03/36/570180336.db2.gz XGXMIJVJKFFTJJ-KRWDZBQOSA-N 0 0 491.440 5.282 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000409237449 570180352 /nfs/dbraw/zinc/18/03/52/570180352.db2.gz UOOGUCSWDVUEFI-WOJGMQOQSA-N 0 0 452.359 6.027 40 0 JKABRN C[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328978837 570180450 /nfs/dbraw/zinc/18/04/50/570180450.db2.gz GCOAALINGVSYFA-OAHLLOKOSA-N 0 0 460.500 5.876 40 0 JKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1 ZINC000409237672 570180559 /nfs/dbraw/zinc/18/05/59/570180559.db2.gz KTPKHPJNWRYJRU-OEAKJJBVSA-N 0 0 477.358 5.429 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)C1=O ZINC000409238086 570180649 /nfs/dbraw/zinc/18/06/49/570180649.db2.gz BXRQFDOGKVUEDQ-WOJGMQOQSA-N 0 0 480.355 5.622 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(NCc3ccc(Cl)cc3)nc(NC3CCCC3)n2)c1 ZINC000328987046 570180592 /nfs/dbraw/zinc/18/05/92/570180592.db2.gz IAFNWEJOUWLLGB-UHFFFAOYSA-N 0 0 462.903 5.506 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000328989170 570180763 /nfs/dbraw/zinc/18/07/63/570180763.db2.gz IJNZIXFNEPTCMZ-ZDUSSCGKSA-N 0 0 454.418 5.979 40 0 JKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000328989156 570180776 /nfs/dbraw/zinc/18/07/76/570180776.db2.gz IJEUQPLJMCGKON-GOSISDBHSA-N 0 0 485.432 5.749 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccc(Cl)cc3Cl)nc(NC3CC3)n2)c1 ZINC000328992505 570180814 /nfs/dbraw/zinc/18/08/14/570180814.db2.gz IWBMTBIMFUCKJO-UHFFFAOYSA-N 0 0 455.267 5.511 40 0 JKABRN O=C1N/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000409239048 570180994 /nfs/dbraw/zinc/18/09/94/570180994.db2.gz FUQDRHSIWHBHMX-FYJGNVAPSA-N 0 0 481.321 5.260 40 0 JKABRN COc1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328997984 570181051 /nfs/dbraw/zinc/18/10/51/570181051.db2.gz JRBUVABZQNQGFI-IBGZPJMESA-N 0 0 496.917 5.877 40 0 JKABRN Fc1cc(F)cc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c1 ZINC000329005273 570181184 /nfs/dbraw/zinc/18/11/84/570181184.db2.gz KXNMAZICTZLCQY-UHFFFAOYSA-N 0 0 478.465 5.521 40 0 JKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329005180 570181254 /nfs/dbraw/zinc/18/12/54/570181254.db2.gz KWMZRPQJZIUWLJ-JOCHJYFZSA-N 0 0 488.554 6.512 40 0 JKABRN COc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc(OC)c1 ZINC000329005946 570181347 /nfs/dbraw/zinc/18/13/47/570181347.db2.gz LBBLCLGBYPKJLP-UHFFFAOYSA-N 0 0 474.483 5.001 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2c(F)ccc(F)c2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329007724 570181363 /nfs/dbraw/zinc/18/13/63/570181363.db2.gz LNLRUCVBJIFKRS-NSHDSACASA-N 0 0 456.390 5.257 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409239747 570181402 /nfs/dbraw/zinc/18/14/02/570181402.db2.gz DVCRJSCJAFAQGC-RQZCQDPDSA-N 0 0 484.177 5.638 40 0 JKABRN CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329009047 570181455 /nfs/dbraw/zinc/18/14/55/570181455.db2.gz LVDCHIKTNIMPOC-UHFFFAOYSA-N 0 0 457.803 6.322 40 0 JKABRN CC(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008977 570181467 /nfs/dbraw/zinc/18/14/67/570181467.db2.gz LTUZDOBTIUUCNW-UHFFFAOYSA-N 0 0 488.457 6.062 40 0 JKABRN Cc1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000329009633 570181501 /nfs/dbraw/zinc/18/15/01/570181501.db2.gz LWARPRKFHACTLA-UHFFFAOYSA-N 0 0 450.892 6.958 40 0 JKABRN COc1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329013968 570181601 /nfs/dbraw/zinc/18/16/01/570181601.db2.gz MSXMCXMDTRGUEP-UHFFFAOYSA-N 0 0 478.902 5.646 40 0 JKABRN Fc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329014029 570181623 /nfs/dbraw/zinc/18/16/23/570181623.db2.gz MTYYFDJVBIGZTQ-UHFFFAOYSA-N 0 0 460.475 5.382 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccn2)n1 ZINC000329013488 570181691 /nfs/dbraw/zinc/18/16/91/570181691.db2.gz MPTNVMXAKGIYTB-LBPRGKRZSA-N 0 0 466.305 5.118 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000409240691 570181720 /nfs/dbraw/zinc/18/17/20/570181720.db2.gz HNJVWBMMWZIJEC-XDHOZWIPSA-N 0 0 452.359 5.645 40 0 JKABRN FC(F)(F)c1cc(Nc2ccc(Br)c(C(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329017880 570181751 /nfs/dbraw/zinc/18/17/51/570181751.db2.gz NNMGGQQPQVWDRZ-UHFFFAOYSA-N 0 0 469.227 5.219 40 0 JKABRN FC(F)(F)c1cc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)ccc1Br ZINC000329016446 570181767 /nfs/dbraw/zinc/18/17/67/570181767.db2.gz NGOUDBMOVKAUJL-UHFFFAOYSA-N 0 0 478.316 5.262 40 0 JKABRN O=C(COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000409240630 570181800 /nfs/dbraw/zinc/18/18/00/570181800.db2.gz USBOVRFGCUCXAR-LPYMAVHISA-N 0 0 496.947 5.733 40 0 JKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)c(C(F)(F)F)c1 ZINC000329018380 570181945 /nfs/dbraw/zinc/18/19/45/570181945.db2.gz NRBXVNFVWJOBOT-UHFFFAOYSA-N 0 0 467.417 5.518 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000409241409 570182133 /nfs/dbraw/zinc/18/21/33/570182133.db2.gz XHPAODUXGJAOQM-LICLKQGHSA-N 0 0 484.177 5.638 40 0 JKABRN Cc1ccc(CN2C(=O)N/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)cc1 ZINC000409241556 570182145 /nfs/dbraw/zinc/18/21/45/570182145.db2.gz OLDVQPFSKAXERD-WGOQTCKBSA-N 0 0 482.967 6.474 40 0 JKABRN Cc1nc2cc(Nc3cc(-c4cccc(OC(F)(F)F)c4)nc(NC(C)C)n3)ccc2s1 ZINC000329025236 570182152 /nfs/dbraw/zinc/18/21/52/570182152.db2.gz PEWHNELTKBFURR-UHFFFAOYSA-N 0 0 459.497 5.368 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329024347 570182226 /nfs/dbraw/zinc/18/22/26/570182226.db2.gz OZHPKMVQBDXKAW-ZDUSSCGKSA-N 0 0 486.416 5.739 40 0 JKABRN CC(C)(C)Nc1nc(Nc2c(F)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329026121 570182228 /nfs/dbraw/zinc/18/22/28/570182228.db2.gz PJVQAEZOTONATP-UHFFFAOYSA-N 0 0 454.855 6.789 40 0 JKABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)cc1C(F)(F)F ZINC000329028037 570182294 /nfs/dbraw/zinc/18/22/94/570182294.db2.gz PTWRCKIOHKBJHR-UHFFFAOYSA-N 0 0 486.416 5.477 40 0 JKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(I)c2)C1=O ZINC000409242402 570182428 /nfs/dbraw/zinc/18/24/28/570182428.db2.gz UQQTWHSZXRBTMJ-LDADJPATSA-N 0 0 479.339 5.317 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329034851 570182439 /nfs/dbraw/zinc/18/24/39/570182439.db2.gz RBEPFKXKNPNHLE-CYBMUJFWSA-N 0 0 470.417 5.859 40 0 JKABRN O=C1NC(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000409242213 570182463 /nfs/dbraw/zinc/18/24/63/570182463.db2.gz VOLKCYODNNSEDO-BUVRLJJBSA-N 0 0 489.358 6.823 40 0 JKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000409242450 570182478 /nfs/dbraw/zinc/18/24/78/570182478.db2.gz VCNQQJQTAGZNIA-FSJBWODESA-N 0 0 467.352 5.974 40 0 JKABRN CCNc1nc(Nc2c(C)cc(Br)cc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329033720 570182529 /nfs/dbraw/zinc/18/25/29/570182529.db2.gz QVECDFZRXYDALB-UHFFFAOYSA-N 0 0 481.316 5.441 40 0 JKABRN CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)C1=O ZINC000409242425 570182511 /nfs/dbraw/zinc/18/25/11/570182511.db2.gz UVRWOQMXKIOAEO-XDHOZWIPSA-N 0 0 489.391 5.221 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329032804 570182542 /nfs/dbraw/zinc/18/25/42/570182542.db2.gz QPZSSOHPWLWSCD-UHFFFAOYSA-N 0 0 465.317 6.879 40 0 JKABRN CC(C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329037075 570182590 /nfs/dbraw/zinc/18/25/90/570182590.db2.gz RLUYJBJJGKAQTH-UHFFFAOYSA-N 0 0 457.283 5.757 40 0 JKABRN FC(F)(F)c1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)c(Br)c1 ZINC000329039149 570182602 /nfs/dbraw/zinc/18/26/02/570182602.db2.gz RWIXNSCZMPMWBD-UHFFFAOYSA-N 0 0 478.316 5.262 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329037629 570182677 /nfs/dbraw/zinc/18/26/77/570182677.db2.gz RPLVTXZGGDKLHK-LBPRGKRZSA-N 0 0 454.855 5.633 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2Br)C1=O ZINC000409242881 570182691 /nfs/dbraw/zinc/18/26/91/570182691.db2.gz WLOKIJGSLYZPDS-YBFXNURJSA-N 0 0 462.365 5.483 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(Cl)cc1Cl ZINC000409242838 570182714 /nfs/dbraw/zinc/18/27/14/570182714.db2.gz WCQNGNAEGRKOOS-UHFFFAOYSA-N 0 0 463.386 5.043 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329041434 570182803 /nfs/dbraw/zinc/18/28/03/570182803.db2.gz SJOIAPWAUAWBDZ-IBGZPJMESA-N 0 0 466.891 5.868 40 0 JKABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000409243109 570182838 /nfs/dbraw/zinc/18/28/38/570182838.db2.gz YPLDPMFJTWITQZ-MRXNPFEDSA-N 0 0 477.413 5.604 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329047023 570182894 /nfs/dbraw/zinc/18/28/94/570182894.db2.gz UEBQIQJHWOBOHF-GFCCVEGCSA-N 0 0 466.305 5.118 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000409243473 570182973 /nfs/dbraw/zinc/18/29/73/570182973.db2.gz WPJKEINFADMBQR-UHFFFAOYSA-N 0 0 492.641 5.448 40 0 JKABRN FC(F)(F)Oc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1Cl ZINC000329049523 570183020 /nfs/dbraw/zinc/18/30/20/570183020.db2.gz UPCNDSKOKPPLJC-UHFFFAOYSA-N 0 0 463.891 5.423 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C(F)(F)F)n1 ZINC000329050617 570183024 /nfs/dbraw/zinc/18/30/24/570183024.db2.gz UTWVMLJPTDMYLW-UHFFFAOYSA-N 0 0 457.216 6.231 40 0 JKABRN Fc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c(F)c1 ZINC000329049023 570183027 /nfs/dbraw/zinc/18/30/27/570183027.db2.gz ULZCUMPPZNQEME-UHFFFAOYSA-N 0 0 464.438 5.652 40 0 JKABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000329049089 570183051 /nfs/dbraw/zinc/18/30/51/570183051.db2.gz UOHIPXPQPLMMBP-UHFFFAOYSA-N 0 0 452.400 5.250 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)c(Br)c1 ZINC000329054780 570183155 /nfs/dbraw/zinc/18/31/55/570183155.db2.gz VLIITRMNKCRSCD-UHFFFAOYSA-N 0 0 479.300 5.275 40 0 JKABRN FC(F)(F)c1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)c(Br)c1 ZINC000329056093 570183164 /nfs/dbraw/zinc/18/31/64/570183164.db2.gz VQTVZOGDWJVFBD-UHFFFAOYSA-N 0 0 483.254 5.609 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2OC)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329053903 570183170 /nfs/dbraw/zinc/18/31/70/570183170.db2.gz VHPLXAPBXRCKJC-ZDUSSCGKSA-N 0 0 466.891 5.502 40 0 JKABRN Fc1cccc(F)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329056656 570183277 /nfs/dbraw/zinc/18/32/77/570183277.db2.gz VSYVKEOINHKOPM-UHFFFAOYSA-N 0 0 450.411 5.262 40 0 JKABRN COC(=O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c1C ZINC000409244161 570183313 /nfs/dbraw/zinc/18/33/13/570183313.db2.gz YTLBAJJEOIPLKL-CIAFOILYSA-N 0 0 467.930 5.932 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329059490 570183334 /nfs/dbraw/zinc/18/33/34/570183334.db2.gz WGUFJXZKYOEBGE-LBPRGKRZSA-N 0 0 471.310 6.147 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2c(C)cc(Cl)cc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329059032 570183339 /nfs/dbraw/zinc/18/33/39/570183339.db2.gz WFEWBJCNRWXMFH-OAHLLOKOSA-N 0 0 464.919 6.110 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000409244174 570183366 /nfs/dbraw/zinc/18/33/66/570183366.db2.gz YXBIMNKGSVFBHO-MHWRWJLKSA-N 0 0 456.745 5.435 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329065626 570183523 /nfs/dbraw/zinc/18/35/23/570183523.db2.gz XSROBTHVPUTBGV-LBPRGKRZSA-N 0 0 499.306 5.742 40 0 JKABRN Cc1cccc(Cl)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329066170 570183532 /nfs/dbraw/zinc/18/35/32/570183532.db2.gz XXYSEIVOKBJNDY-UHFFFAOYSA-N 0 0 462.903 5.946 40 0 JKABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1F ZINC000329064421 570183546 /nfs/dbraw/zinc/18/35/46/570183546.db2.gz XJYPXESQKZQBSW-UHFFFAOYSA-N 0 0 476.474 5.522 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409245043 570183723 /nfs/dbraw/zinc/18/37/23/570183723.db2.gz MOBLJRUPLVRVIQ-MFKUBSTISA-N 0 0 498.966 6.174 40 0 JKABRN CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329066337 570183763 /nfs/dbraw/zinc/18/37/63/570183763.db2.gz YAELDQBHXUKTDH-UHFFFAOYSA-N 0 0 456.390 6.625 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccc2)n1 ZINC000329066612 570183772 /nfs/dbraw/zinc/18/37/72/570183772.db2.gz YCGDKLPEUCUIHV-UHFFFAOYSA-N 0 0 478.765 6.356 40 0 JKABRN CC[C@H](C)Nc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329070303 570183872 /nfs/dbraw/zinc/18/38/72/570183872.db2.gz ZGAAZDWRJRGZNQ-AWEZNQCLSA-N 0 0 495.343 5.471 40 0 JKABRN CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329072256 570183984 /nfs/dbraw/zinc/18/39/84/570183984.db2.gz ZWOIUPGUAKSRNP-UHFFFAOYSA-N 0 0 457.803 6.322 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1)c1ccccc1 ZINC000409245932 570184138 /nfs/dbraw/zinc/18/41/38/570184138.db2.gz BAHQKRLCMMASNF-KRWDZBQOSA-N 0 0 476.520 5.316 40 0 JKABRN CCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000409246170 570184196 /nfs/dbraw/zinc/18/41/96/570184196.db2.gz FYGBHGJCMMXJHH-CIAFOILYSA-N 0 0 459.398 6.751 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCc1ccccc1Cl ZINC000409246234 570184352 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COc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552867 570195634 /nfs/dbraw/zinc/19/56/34/570195634.db2.gz LFHSZSVIOUDDNR-UHFFFAOYSA-N 0 0 495.200 6.904 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)Cc2ccccc2)cc1C ZINC000408552989 570195661 /nfs/dbraw/zinc/19/56/61/570195661.db2.gz UABPNBVWNUABHP-UHFFFAOYSA-N 0 0 493.412 5.140 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O)N1CCCC1 ZINC000408553367 570195757 /nfs/dbraw/zinc/19/57/57/570195757.db2.gz YDPXQUSYARPMEJ-LICLKQGHSA-N 0 0 495.782 5.021 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1NC(=O)c1cccc(Cl)c1 ZINC000408553336 570195774 /nfs/dbraw/zinc/19/57/74/570195774.db2.gz VFKNIXTUGGCTKU-UHFFFAOYSA-N 0 0 466.946 5.555 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc(Br)c1OCC ZINC000408553479 570195867 /nfs/dbraw/zinc/19/58/67/570195867.db2.gz AELADJLHEMTQGF-UHFFFAOYSA-N 0 0 486.362 6.300 40 0 JKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553643 570195872 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COc1cc(C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408553696 570195889 /nfs/dbraw/zinc/19/58/89/570195889.db2.gz PDSLBJMDCSGQDR-UHFFFAOYSA-N 0 0 460.755 6.251 40 0 JKABRN Cc1cccc(NC(=O)COc2cccc([C@H]3SCC(=O)N3c3ccc(Cl)cc3)c2)c1 ZINC000408553537 570195902 /nfs/dbraw/zinc/19/59/02/570195902.db2.gz AFMSWAMZLYCHFL-XMMPIXPASA-N 0 0 452.963 5.445 40 0 JKABRN COc1ccccc1NC(=O)COc1ccc(CNc2cc(Cl)ccc2C)cc1Br ZINC000408553637 570195914 /nfs/dbraw/zinc/19/59/14/570195914.db2.gz BCUMAXHUBGLDDB-UHFFFAOYSA-N 0 0 489.797 6.049 40 0 JKABRN COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408553813 570195993 /nfs/dbraw/zinc/19/59/93/570195993.db2.gz PREALHXGSCLKDQ-UHFFFAOYSA-N 0 0 494.307 6.616 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408553932 570196006 /nfs/dbraw/zinc/19/60/06/570196006.db2.gz AEMBNQNWUQERMK-UHFFFAOYSA-N 0 0 479.385 5.754 40 0 JKABRN CCOc1cc(C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408554195 570196087 /nfs/dbraw/zinc/19/60/87/570196087.db2.gz QRCPQHWXZBRCHB-UHFFFAOYSA-N 0 0 474.782 6.641 40 0 JKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OCC)c2)cc1 ZINC000408554389 570196210 /nfs/dbraw/zinc/19/62/10/570196210.db2.gz DPIYYUJVEMCOLR-UHFFFAOYSA-N 0 0 450.535 5.122 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408554376 570196212 /nfs/dbraw/zinc/19/62/12/570196212.db2.gz RTJQSLROGNTQEL-UHFFFAOYSA-N 0 0 498.910 5.486 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408554303 570196223 /nfs/dbraw/zinc/19/62/23/570196223.db2.gz RMDWRNFOPIZQKH-UHFFFAOYSA-N 0 0 487.983 7.671 40 0 JKABRN CCOc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(I)c1OC ZINC000408554344 570196232 /nfs/dbraw/zinc/19/62/32/570196232.db2.gz DJOZMQLNJKDMAD-UHFFFAOYSA-N 0 0 489.309 5.743 40 0 JKABRN O=C(COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000408554217 570196239 /nfs/dbraw/zinc/19/62/39/570196239.db2.gz BWWMYUZFFQFHLU-QHCPKHFHSA-N 0 0 473.381 5.790 40 0 JKABRN CCOc1c(Br)cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC ZINC000408554488 570196326 /nfs/dbraw/zinc/19/63/26/570196326.db2.gz FEEJTXUJDWYSRL-UHFFFAOYSA-N 0 0 472.335 5.910 40 0 JKABRN O=C1CS[C@@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)N1c1ccc(Cl)cc1 ZINC000408554490 570196328 /nfs/dbraw/zinc/19/63/28/570196328.db2.gz FESVQYBPHRQIFN-DEOSSOPVSA-N 0 0 453.394 6.775 40 0 JKABRN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000408554462 570196356 /nfs/dbraw/zinc/19/63/56/570196356.db2.gz CVRRXUGAJAEYGV-UHFFFAOYSA-N 0 0 486.874 5.332 40 0 JKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3OC)c(Br)c2)cc1 ZINC000408554460 570196368 /nfs/dbraw/zinc/19/63/68/570196368.db2.gz DZSHNRGEUVGRPF-UHFFFAOYSA-N 0 0 471.351 5.096 40 0 JKABRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408554818 570196403 /nfs/dbraw/zinc/19/64/03/570196403.db2.gz FVLKSDDYWSSRAS-UHFFFAOYSA-N 0 0 452.982 6.294 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1NC(=O)c1ccccc1 ZINC000408554689 570196436 /nfs/dbraw/zinc/19/64/36/570196436.db2.gz DHPRXOWOPUJVED-UHFFFAOYSA-N 0 0 490.606 5.900 40 0 JKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)cc1 ZINC000408554822 570196485 /nfs/dbraw/zinc/19/64/85/570196485.db2.gz FVLQDAUSBQCSFJ-UHFFFAOYSA-N 0 0 459.315 5.226 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)NCc1ccc(Cl)cc1 ZINC000408554963 570196523 /nfs/dbraw/zinc/19/65/23/570196523.db2.gz VWZGRTGZQTXPCV-UHFFFAOYSA-N 0 0 499.803 5.143 40 0 JKABRN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555026 570196538 /nfs/dbraw/zinc/19/65/38/570196538.db2.gz GUPSTYCKXQQJDU-UHFFFAOYSA-N 0 0 473.400 6.584 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000408555188 570196713 /nfs/dbraw/zinc/19/67/13/570196713.db2.gz FFBDWXHWCDWPNE-UHFFFAOYSA-N 0 0 499.803 6.099 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408555207 570196729 /nfs/dbraw/zinc/19/67/29/570196729.db2.gz FIPBUNGVJHVZRC-UHFFFAOYSA-N 0 0 487.021 6.224 40 0 JKABRN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccc(C)cc1 ZINC000408555237 570196746 /nfs/dbraw/zinc/19/67/46/570196746.db2.gz FOHPZHOPIIJRSP-UHFFFAOYSA-N 0 0 479.385 5.041 40 0 JKABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000409301339 570196814 /nfs/dbraw/zinc/19/68/14/570196814.db2.gz CAOJVGZJPWHREF-UJKMTWAASA-N 0 0 464.746 5.499 40 0 JKABRN O=C1CS[C@H](c2cc(Cl)ccc2OCc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408555533 570196869 /nfs/dbraw/zinc/19/68/69/570196869.db2.gz HDCUXQMCHJOOHV-JOCHJYFZSA-N 0 0 464.801 7.004 40 0 JKABRN Fc1cccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2Br)c1 ZINC000408555704 570196928 /nfs/dbraw/zinc/19/69/28/570196928.db2.gz HIYBBFSZECQUSI-UHFFFAOYSA-N 0 0 499.605 7.195 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000408555737 570196972 /nfs/dbraw/zinc/19/69/72/570196972.db2.gz FVXFTIOQMWQCSL-UHFFFAOYSA-N 0 0 499.803 6.099 40 0 JKABRN COc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2OC)cc1 ZINC000408555625 570196974 /nfs/dbraw/zinc/19/69/74/570196974.db2.gz HKNWXXLEWWFFFL-UHFFFAOYSA-N 0 0 461.345 5.640 40 0 JKABRN COc1ccccc1NC(=O)COc1ccc(CNc2ccc(Cl)cc2)cc1Br ZINC000408555642 570196975 /nfs/dbraw/zinc/19/69/75/570196975.db2.gz HOBZQLDDKBQVPR-UHFFFAOYSA-N 0 0 475.770 5.741 40 0 JKABRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1F ZINC000408555627 570196986 /nfs/dbraw/zinc/19/69/86/570196986.db2.gz GQRMPPRVQIXXIY-DEOSSOPVSA-N 0 0 457.954 6.235 40 0 JKABRN COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1F ZINC000408555636 570196988 /nfs/dbraw/zinc/19/69/88/570196988.db2.gz HLUBFBDPCOMTQE-UHFFFAOYSA-N 0 0 472.516 6.256 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1Cl ZINC000408555937 570197060 /nfs/dbraw/zinc/19/70/60/570197060.db2.gz XWJIIVPDLSPTHJ-UHFFFAOYSA-N 0 0 488.993 5.290 40 0 JKABRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408555782 570197085 /nfs/dbraw/zinc/19/70/85/570197085.db2.gz IJTLTBDUIFIRHW-XMMPIXPASA-N 0 0 492.399 6.889 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000409302503 570197152 /nfs/dbraw/zinc/19/71/52/570197152.db2.gz JAAFYYXGPSNKOZ-UHFFFAOYSA-N 0 0 487.021 5.525 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccccc1F ZINC000408556081 570197183 /nfs/dbraw/zinc/19/71/83/570197183.db2.gz CELSEJWZEHIKTR-UHFFFAOYSA-N 0 0 482.455 5.296 40 0 JKABRN Cc1cccc(NC(=O)COc2ccccc2CNc2ccc(Br)c(Cl)c2)c1 ZINC000408556313 570197281 /nfs/dbraw/zinc/19/72/81/570197281.db2.gz IUMSXIQDLOEXIO-UHFFFAOYSA-N 0 0 459.771 6.041 40 0 JKABRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccccc1F ZINC000408556205 570197335 /nfs/dbraw/zinc/19/73/35/570197335.db2.gz IIHZSRSCFPIUIF-UHFFFAOYSA-N 0 0 464.762 6.831 40 0 JKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408556369 570197386 /nfs/dbraw/zinc/19/73/86/570197386.db2.gz JZQAPLSBQGKLGV-UHFFFAOYSA-N 0 0 459.373 6.330 40 0 JKABRN CCOc1c(Br)cc(Br)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408556349 570197400 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ZINC000408582064 570206913 /nfs/dbraw/zinc/20/69/13/570206913.db2.gz VHOBDZKCRGFQFD-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN Cc1cc(C)cc(NC(=O)C(=O)Nn2c(C(=O)Nc3cc(C)cc(C)c3)cc3cc(Cl)ccc32)c1 ZINC000408582099 570206914 /nfs/dbraw/zinc/20/69/14/570206914.db2.gz VMQXQJREZGRPJV-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN Cc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)cc1C ZINC000408582056 570206918 /nfs/dbraw/zinc/20/69/18/570206918.db2.gz LMRFBKCVFBOOPN-UHFFFAOYSA-N 0 0 496.352 6.273 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3Cl)cc3cc(Cl)ccc32)c(C)c1 ZINC000408582452 570206975 /nfs/dbraw/zinc/20/69/75/570206975.db2.gz WNVWPLKOOAKYHG-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)Nc1cccc(F)c1 ZINC000408582777 570207116 /nfs/dbraw/zinc/20/71/16/570207116.db2.gz XPERDWUGZSZNFY-UHFFFAOYSA-N 0 0 499.329 5.357 40 0 JKABRN O=C(CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1)Nc1ccccc1F ZINC000408582965 570207131 /nfs/dbraw/zinc/20/71/31/570207131.db2.gz 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O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000009781283 194959908 /nfs/dbraw/zinc/95/99/08/194959908.db2.gz GBAMHVNDWHYNBF-JHFSOIRNSA-N 0 0 475.504 5.059 40 0 JKABRN COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)[C@H]2[C@@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)CC1 ZINC000009907581 195018353 /nfs/dbraw/zinc/01/83/53/195018353.db2.gz IOIZBKUMHAOUEQ-RIYBGJEYSA-N 0 0 493.651 5.954 40 0 JKABRN Cc1ccc(C)c(-n2c3nnc(SCC(=O)N[C@H](C)CCCC(C)C)n3c3ccccc3c2=O)c1 ZINC000012610221 195054037 /nfs/dbraw/zinc/05/40/37/195054037.db2.gz XLJOLBVTDWIKAV-HXUWFJFHSA-N 0 0 491.661 5.073 40 0 JKABRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000012844683 195151716 /nfs/dbraw/zinc/15/17/16/195151716.db2.gz ZBYQHUMQHREOQN-SFHVURJKSA-N 0 0 491.623 7.137 40 0 JKABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N(C)C(C)(C)CC(C)(C)C)cc3N2)cc1 ZINC000012846914 195152635 /nfs/dbraw/zinc/15/26/35/195152635.db2.gz GSWKVEIUKGZVDY-MJGOQNOKSA-N 0 0 466.548 5.839 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCCC4)c2C(N)=O)C1 ZINC000012846691 195152655 /nfs/dbraw/zinc/15/26/55/195152655.db2.gz VQKIEPJLOWQGHF-CYBMUJFWSA-N 0 0 496.599 5.121 40 0 JKABRN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N(C)C(C)(C)CC(C)(C)C)cc3N2)cc1 ZINC000012846920 195152799 /nfs/dbraw/zinc/15/27/99/195152799.db2.gz GSWKVEIUKGZVDY-PKOBYXMFSA-N 0 0 466.548 5.839 40 0 JKABRN CCCc1nnc2sc(-c3cccc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)c3)nn12 ZINC000020609701 195182789 /nfs/dbraw/zinc/18/27/89/195182789.db2.gz DFLJLZZQOUSKAB-LBPRGKRZSA-N 0 0 476.389 5.518 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3n2)cc1 ZINC000020610055 195183000 /nfs/dbraw/zinc/18/30/00/195183000.db2.gz UASSDUKSFUAONF-UHFFFAOYSA-N 0 0 489.329 5.704 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020610080 195183037 /nfs/dbraw/zinc/18/30/37/195183037.db2.gz KVIOZAWRISCBQA-CYBMUJFWSA-N 0 0 457.317 5.142 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000020610296 195183248 /nfs/dbraw/zinc/18/32/48/195183248.db2.gz XCJHDWBMZKJOTP-UHFFFAOYSA-N 0 0 472.932 6.293 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)cc1 ZINC000020610249 195183259 /nfs/dbraw/zinc/18/32/59/195183259.db2.gz SEONYLZKMUARAJ-UHFFFAOYSA-N 0 0 464.525 5.651 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3n2)cc1 ZINC000020610295 195183368 /nfs/dbraw/zinc/18/33/68/195183368.db2.gz WCAAJUKLWZDINZ-UHFFFAOYSA-N 0 0 476.895 6.124 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020610321 195183375 /nfs/dbraw/zinc/18/33/75/195183375.db2.gz INNYNLGGNNKFDJ-CQSZACIVSA-N 0 0 471.344 5.532 40 0 JKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3n2)cc1 ZINC000020610171 195183419 /nfs/dbraw/zinc/18/34/19/195183419.db2.gz GRFXVJFQIIJCIF-UHFFFAOYSA-N 0 0 460.896 6.288 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc(OCC)c1OCC ZINC000020610506 195183541 /nfs/dbraw/zinc/18/35/41/195183541.db2.gz LEEXLOOLWBINCQ-UHFFFAOYSA-N 0 0 488.588 5.992 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc(I)c4)cc3n2)cc1 ZINC000020610474 195183651 /nfs/dbraw/zinc/18/36/51/195183651.db2.gz FCTFZLKEAQVDGP-UHFFFAOYSA-N 0 0 482.325 5.401 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1Cl ZINC000020610749 195183719 /nfs/dbraw/zinc/18/37/19/195183719.db2.gz LXJAXBNQRQBNHX-UHFFFAOYSA-N 0 0 454.917 6.002 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1 ZINC000020610664 195183737 /nfs/dbraw/zinc/18/37/37/195183737.db2.gz OZPHBGUFXOFPLU-UHFFFAOYSA-N 0 0 493.405 6.103 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1Cl ZINC000020610837 195183822 /nfs/dbraw/zinc/18/38/22/195183822.db2.gz YOAFFYXJDSPMLH-GXDHUFHOSA-N 0 0 470.916 5.994 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccc(Br)cc4)cc3n2)cc1 ZINC000020610663 195183833 /nfs/dbraw/zinc/18/38/33/195183833.db2.gz SFZPNJGJPQQKCV-UHFFFAOYSA-N 0 0 465.351 5.324 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)cc1 ZINC000020610628 195183871 /nfs/dbraw/zinc/18/38/71/195183871.db2.gz IPUQBWRZRPFLIR-UHFFFAOYSA-N 0 0 456.933 6.710 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1Cl ZINC000020610807 195183875 /nfs/dbraw/zinc/18/38/75/195183875.db2.gz JUTKHZSDOSWVMH-UHFFFAOYSA-N 0 0 459.358 5.467 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccc(C5CCCCC5)cc4)cc3n2)cc1 ZINC000020610661 195183881 /nfs/dbraw/zinc/18/38/81/195183881.db2.gz LKXLKGNSISZLCT-UHFFFAOYSA-N 0 0 468.601 6.609 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)cc1Cl ZINC000020610842 195184170 /nfs/dbraw/zinc/18/41/70/195184170.db2.gz AWKAWRKPKGTMTK-UHFFFAOYSA-N 0 0 479.323 6.248 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000020610923 195184223 /nfs/dbraw/zinc/18/42/23/195184223.db2.gz MKCRDEDLTNHKJK-GFCCVEGCSA-N 0 0 461.736 5.787 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1Cl ZINC000020610844 195184324 /nfs/dbraw/zinc/18/43/24/195184324.db2.gz POOCVLRENQGSIQ-UHFFFAOYSA-N 0 0 493.350 6.557 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)cc1Cl ZINC000020610950 195184335 /nfs/dbraw/zinc/18/43/35/195184335.db2.gz BAQYWINZCQEVFR-ACCUITESSA-N 0 0 468.944 6.603 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000020611015 195184470 /nfs/dbraw/zinc/18/44/70/195184470.db2.gz SNQSUEPSVJYJRP-CYBMUJFWSA-N 0 0 475.763 6.095 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)c(C)c1 ZINC000020611088 195184483 /nfs/dbraw/zinc/18/44/83/195184483.db2.gz UOMLOQPCQZJZMW-UHFFFAOYSA-N 0 0 485.632 6.171 40 0 JKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)cc1 ZINC000020611091 195184678 /nfs/dbraw/zinc/18/46/78/195184678.db2.gz OUTOXYFLTXJGIT-OAQYLSRUSA-N 0 0 485.632 6.313 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4Cl)cc3n2)c(C)c1 ZINC000020611059 195184686 /nfs/dbraw/zinc/18/46/86/195184686.db2.gz AJJBLURIRBHBSF-UHFFFAOYSA-N 0 0 482.415 6.443 40 0 JKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)c1 ZINC000020611089 195184693 /nfs/dbraw/zinc/18/46/93/195184693.db2.gz YJFBLROLGNTWGU-OAQYLSRUSA-N 0 0 485.632 6.313 40 0 JKABRN COc1c(C)cc(Br)cc1C(=O)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C ZINC000020611106 195184715 /nfs/dbraw/zinc/18/47/15/195184715.db2.gz NDVLNHYXIYIAQD-UHFFFAOYSA-N 0 0 469.314 5.200 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000020611013 195184727 /nfs/dbraw/zinc/18/47/27/195184727.db2.gz MCXWHDQXSROFNP-UHFFFAOYSA-N 0 0 499.796 5.941 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000020611133 195184882 /nfs/dbraw/zinc/18/48/82/195184882.db2.gz XCVUYMBBSOSPLI-ACCUITESSA-N 0 0 456.452 5.919 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020611306 195184886 /nfs/dbraw/zinc/18/48/86/195184886.db2.gz NHSMQAPGSKFYLF-CQSZACIVSA-N 0 0 471.344 5.450 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020611140 195184896 /nfs/dbraw/zinc/18/48/96/195184896.db2.gz QJBDEWFUAXSASE-UHFFFAOYSA-N 0 0 464.859 6.173 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020611250 195184914 /nfs/dbraw/zinc/18/49/14/195184914.db2.gz LEOJYDXCFKYVEK-OAHLLOKOSA-N 0 0 469.372 6.004 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000020611231 195184929 /nfs/dbraw/zinc/18/49/29/195184929.db2.gz LJDDWVIALSENCK-UHFFFAOYSA-N 0 0 470.960 6.765 40 0 JKABRN Cc1cc(C)c(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c(Br)c1 ZINC000020611174 195184942 /nfs/dbraw/zinc/18/49/42/195184942.db2.gz TWSYWHWAKMQCBH-UHFFFAOYSA-N 0 0 483.341 5.265 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020611308 195184950 /nfs/dbraw/zinc/18/49/50/195184950.db2.gz NHSMQAPGSKFYLF-AWEZNQCLSA-N 0 0 471.344 5.450 40 0 JKABRN CCc1nc(SCc2ccc(NC(=O)C=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)n[nH]1 ZINC000020611438 195185121 /nfs/dbraw/zinc/18/51/21/195185121.db2.gz PVPRYVZESRPBME-FMIVXFBMSA-N 0 0 499.423 6.878 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CCOCC2)c(Br)c1 ZINC000020611606 195185600 /nfs/dbraw/zinc/18/56/00/195185600.db2.gz NHGOCUIIIXAWMA-DHZHZOJOSA-N 0 0 453.336 5.198 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c(Br)c3)o2)cc1Cl ZINC000020611614 195185669 /nfs/dbraw/zinc/18/56/69/195185669.db2.gz LLBIOGJGLVKZRB-UHFFFAOYSA-N 0 0 475.770 5.760 40 0 JKABRN CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1CSc1ccc(C)cc1 ZINC000020633614 195191422 /nfs/dbraw/zinc/19/14/22/195191422.db2.gz LFAPZQWGPAWKJV-UHFFFAOYSA-N 0 0 452.967 5.531 40 0 JKABRN O=c1cc(CSc2ccccn2)nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[nH]1 ZINC000020634916 195191758 /nfs/dbraw/zinc/19/17/58/195191758.db2.gz KAJHZKMHYPWQDF-UHFFFAOYSA-N 0 0 472.961 5.464 40 0 JKABRN O=c1cc(-c2ccc(Cl)cc2)nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[nH]1 ZINC000020634926 195191771 /nfs/dbraw/zinc/19/17/71/195191771.db2.gz WKVVISBSYYSFJS-UHFFFAOYSA-N 0 0 460.324 6.098 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(OCc3ccccc3)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020638375 195192131 /nfs/dbraw/zinc/19/21/31/195192131.db2.gz DSCVVGWBISTSNT-SXOMAYOGSA-N 0 0 497.595 5.531 40 0 JKABRN Nc1nc(N2CCCCC2)nc2nc3c(c(-c4ccc(OCc5ccccc5)cc4)c12)C(=O)CCC3 ZINC000020673575 195199009 /nfs/dbraw/zinc/19/90/09/195199009.db2.gz YKKWJKHWVFWUFB-UHFFFAOYSA-N 0 0 479.584 5.362 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1-c1cccc2ccccc21 ZINC000020672817 195199033 /nfs/dbraw/zinc/19/90/33/195199033.db2.gz BOZSZLYDTFKHKP-UHFFFAOYSA-N 0 0 455.949 6.029 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1-c1ccc(OC)cc1 ZINC000020672926 195199169 /nfs/dbraw/zinc/19/91/69/195199169.db2.gz DLADEEHWWHEXHH-UHFFFAOYSA-N 0 0 479.540 5.715 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(OCCC(C)C)cc2)[C@H](C(=O)OCC)C1=O ZINC000020675173 195200051 /nfs/dbraw/zinc/20/00/51/195200051.db2.gz NEHHOVIWUVKHMN-DQEYMECFSA-N 0 0 477.605 5.377 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@@H](c2cccc(Oc3ccccc3)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675139 195200106 /nfs/dbraw/zinc/20/01/06/195200106.db2.gz HVXGNLFMKPUFQO-FTJBHMTQSA-N 0 0 483.568 5.744 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)OCC)C1=O ZINC000020675496 195200115 /nfs/dbraw/zinc/20/01/15/195200115.db2.gz YZTZMGTUGPFYEO-PMACEKPBSA-N 0 0 460.361 5.259 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)OCC)C1=O ZINC000020675285 195200178 /nfs/dbraw/zinc/20/01/78/195200178.db2.gz IZKVHZRNHCVIBQ-PMACEKPBSA-N 0 0 460.361 5.259 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)OCC)C1=O ZINC000020675976 195200445 /nfs/dbraw/zinc/20/04/45/195200445.db2.gz QIAQYGNSCABLBV-SFTDATJTSA-N 0 0 474.388 5.649 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675782 195200486 /nfs/dbraw/zinc/20/04/86/195200486.db2.gz PNZFXMJQQPPIGR-RTWAWAEBSA-N 0 0 484.394 5.104 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2cccc(Br)c2)[C@H](C(=O)OCC)C1=O ZINC000020675773 195200492 /nfs/dbraw/zinc/20/04/92/195200492.db2.gz PNZFXMJQQPPIGR-LEWJYISDSA-N 0 0 484.394 5.104 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(SC)cc2)[C@H](C(=O)OCC)C1=O ZINC000020675692 195200499 /nfs/dbraw/zinc/20/04/99/195200499.db2.gz ZQGGTJAAZMKLRP-VXKWHMMOSA-N 0 0 451.592 5.064 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)OCC)C1=O ZINC000020675969 195200512 /nfs/dbraw/zinc/20/05/12/195200512.db2.gz QIAQYGNSCABLBV-LEWJYISDSA-N 0 0 474.388 5.649 40 0 JKABRN CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)cc1 ZINC000020671808 195198725 /nfs/dbraw/zinc/19/87/25/195198725.db2.gz PYCWZKFDIUWCJO-LJQANCHMSA-N 0 0 463.006 6.106 40 0 JKABRN CCCCOc1cccc([C@H]2C(C(=O)OCC)C(c3ccccc3)=Nc3nc4ccccc4n32)c1 ZINC000020672427 195198729 /nfs/dbraw/zinc/19/87/29/195198729.db2.gz NWOFOYAVJAGHPV-MHZLTWQESA-N 0 0 467.569 6.205 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000020672466 195198790 /nfs/dbraw/zinc/19/87/90/195198790.db2.gz UONVCVBUFFOKCX-MUUNZHRXSA-N 0 0 481.596 6.451 40 0 JKABRN CCCCOc1ccc([C@@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672346 195198805 /nfs/dbraw/zinc/19/88/05/195198805.db2.gz SNXWINBYRKRFHR-AREMUKBSSA-N 0 0 477.605 6.246 40 0 JKABRN Cc1cc(C)c2nc(Nc3nc(C)c(Cc4ccc(Br)cc4)c(=O)[nH]3)nc(C)c2c1 ZINC000020797951 195226475 /nfs/dbraw/zinc/22/64/75/195226475.db2.gz CVSDTGNULUIWEL-UHFFFAOYSA-N 0 0 464.367 5.044 40 0 JKABRN CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000020759858 195217372 /nfs/dbraw/zinc/21/73/72/195217372.db2.gz JBNONMUBMAQSQV-UHFFFAOYSA-N 0 0 466.346 5.339 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)ccc32)cc1 ZINC000020766073 195221388 /nfs/dbraw/zinc/22/13/88/195221388.db2.gz CQHKJKVYDMBIIB-UHFFFAOYSA-N 0 0 475.397 5.696 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cccc(Cl)c4Cl)ccc32)cc1 ZINC000020766069 195221442 /nfs/dbraw/zinc/22/14/42/195221442.db2.gz AIGLYTRSIHLZFJ-UHFFFAOYSA-N 0 0 475.397 5.696 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1Cl ZINC000020766129 195221469 /nfs/dbraw/zinc/22/14/69/195221469.db2.gz YGDPFVUEBWBYBX-UHFFFAOYSA-N 0 0 470.978 5.051 40 0 JKABRN CCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766403 195221559 /nfs/dbraw/zinc/22/15/59/195221559.db2.gz MIWCIWDEJVXULY-UHFFFAOYSA-N 0 0 454.979 5.296 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NC(c4ccccc4)c4ccccc4)ccc32)cc1 ZINC000020766254 195221619 /nfs/dbraw/zinc/22/16/19/195221619.db2.gz RTIINPQLTASTRN-UHFFFAOYSA-N 0 0 496.632 5.656 40 0 JKABRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766399 195221813 /nfs/dbraw/zinc/22/18/13/195221813.db2.gz YGZFIYIHVJITAK-UHFFFAOYSA-N 0 0 454.979 5.296 40 0 JKABRN O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000020766431 195221825 /nfs/dbraw/zinc/22/18/25/195221825.db2.gz RYTWPTNAUYBWST-UHFFFAOYSA-N 0 0 461.370 5.387 40 0 JKABRN Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000020766603 195222078 /nfs/dbraw/zinc/22/20/78/195222078.db2.gz VOMBOKZWBIHOBZ-UHFFFAOYSA-N 0 0 469.006 5.659 40 0 JKABRN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766619 195222170 /nfs/dbraw/zinc/22/21/70/195222170.db2.gz FXORYQDUGCHUKF-IBGZPJMESA-N 0 0 483.033 5.233 40 0 JKABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc21 ZINC000020766831 195222179 /nfs/dbraw/zinc/22/21/79/195222179.db2.gz BZKFTKHYGPEQDN-UHFFFAOYSA-N 0 0 479.360 5.526 40 0 JKABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000020766969 195222586 /nfs/dbraw/zinc/22/25/86/195222586.db2.gz YHGJUDDGMYSITA-UHFFFAOYSA-N 0 0 466.578 5.562 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1Cl ZINC000020767255 195222744 /nfs/dbraw/zinc/22/27/44/195222744.db2.gz CHZBZRGVQITXQC-UHFFFAOYSA-N 0 0 491.396 5.396 40 0 JKABRN Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5cccc6ccccc65)nc4nc3C2)c1 ZINC000020795982 195225848 /nfs/dbraw/zinc/22/58/48/195225848.db2.gz YGMZLAWIPAKUJT-OAQYLSRUSA-N 0 0 450.567 5.791 40 0 JKABRN CSc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797415 195225971 /nfs/dbraw/zinc/22/59/71/195225971.db2.gz PCTODBIPCONZAD-QHCPKHFHSA-N 0 0 460.990 6.339 40 0 JKABRN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 ZINC000020797476 195226003 /nfs/dbraw/zinc/22/60/03/195226003.db2.gz YOGAAMJJXVRUAK-QFIPXVFZSA-N 0 0 493.792 6.380 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Br)c2)n2c3ccccc3nc2N1 ZINC000020797292 195226021 /nfs/dbraw/zinc/22/60/21/195226021.db2.gz CJIAOBYMCLBOSF-QFIPXVFZSA-N 0 0 459.347 5.726 40 0 JKABRN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C(C)C)cc2)n2c3ccccc3nc2N1 ZINC000020797395 195226056 /nfs/dbraw/zinc/22/60/56/195226056.db2.gz KQVSMCYCYBTZSA-RUZDIDTESA-N 0 0 456.977 6.741 40 0 JKABRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(Br)c2)cc1 ZINC000020797353 195226081 /nfs/dbraw/zinc/22/60/81/195226081.db2.gz LQCHPARGPBJHDT-QHCPKHFHSA-N 0 0 473.374 6.035 40 0 JKABRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797424 195226136 /nfs/dbraw/zinc/22/61/36/195226136.db2.gz PXNUGISTQCRCJS-XMMPIXPASA-N 0 0 458.949 6.016 40 0 JKABRN CCOc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000020797383 195226170 /nfs/dbraw/zinc/22/61/70/195226170.db2.gz NDJLFHKIZHJIOK-VWLOTQADSA-N 0 0 454.530 5.377 40 0 JKABRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000020798636 195226421 /nfs/dbraw/zinc/22/64/21/195226421.db2.gz BNVIBWFMMAIGME-QGZVFWFLSA-N 0 0 461.345 5.131 40 0 JKABRN CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2)CC1 ZINC000020968841 195257346 /nfs/dbraw/zinc/25/73/46/195257346.db2.gz XOHJDNLVSKZTCW-ACCUITESSA-N 0 0 477.992 5.619 40 0 JKABRN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(CC)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970058 195257452 /nfs/dbraw/zinc/25/74/52/195257452.db2.gz SWGLBWWEKQMCGQ-SANMLTNESA-N 0 0 452.558 5.925 40 0 JKABRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 ZINC000020969962 195257459 /nfs/dbraw/zinc/25/74/59/195257459.db2.gz SZOSBVIDSUAISA-QFIPXVFZSA-N 0 0 467.331 6.410 40 0 JKABRN CCCCc1ccc(-n2nc3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)cc1 ZINC000020969702 195257483 /nfs/dbraw/zinc/25/74/83/195257483.db2.gz PNIUZMZNDPUUIL-UHFFFAOYSA-N 0 0 460.406 5.711 40 0 JKABRN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 ZINC000020970001 195257485 /nfs/dbraw/zinc/25/74/85/195257485.db2.gz QVGSKNJQMQAWAN-QFIPXVFZSA-N 0 0 482.893 6.636 40 0 JKABRN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970257 195257713 /nfs/dbraw/zinc/25/77/13/195257713.db2.gz QOARUNKGEXSOQK-VWLOTQADSA-N 0 0 454.530 5.371 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000020970199 195257754 /nfs/dbraw/zinc/25/77/54/195257754.db2.gz CLCXASKMAGHQOC-SANMLTNESA-N 0 0 468.557 5.544 40 0 JKABRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970473 195258163 /nfs/dbraw/zinc/25/81/63/195258163.db2.gz XQXGMQKEZZODNB-VWLOTQADSA-N 0 0 454.530 5.371 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cc(OC)ccc1OC ZINC000021005596 195265604 /nfs/dbraw/zinc/26/56/04/195265604.db2.gz FALMZQMTBTZQOW-RUZDIDTESA-N 0 0 455.514 5.043 40 0 JKABRN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000021005521 195265617 /nfs/dbraw/zinc/26/56/17/195265617.db2.gz BHOJTZNKSSFECF-DEOSSOPVSA-N 0 0 474.948 5.722 40 0 JKABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000021005708 195266005 /nfs/dbraw/zinc/26/60/05/195266005.db2.gz PPNZXQHTYYXXCS-HHHXNRCGSA-N 0 0 467.569 6.158 40 0 JKABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC ZINC000021005671 195266017 /nfs/dbraw/zinc/26/60/17/195266017.db2.gz FJOSQDUXMQCTPN-AREMUKBSSA-N 0 0 485.540 5.051 40 0 JKABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000021005694 195266031 /nfs/dbraw/zinc/26/60/31/195266031.db2.gz CGIPKRSLVNRMAH-RUZDIDTESA-N 0 0 455.514 5.043 40 0 JKABRN CCc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)c3nc4ccccc4n32)cc1 ZINC000021005863 195266220 /nfs/dbraw/zinc/26/62/20/195266220.db2.gz KDYOZIBQRWYDKX-SANMLTNESA-N 0 0 477.568 5.239 40 0 JKABRN COCc1nn2c(nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1-c1ccccc1 ZINC000021006153 195266399 /nfs/dbraw/zinc/26/63/99/195266399.db2.gz ONTVIBFNEVGZQY-UHFFFAOYSA-N 0 0 465.513 5.291 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)c1 ZINC000021123649 195279602 /nfs/dbraw/zinc/27/96/02/195279602.db2.gz SXTGOHWBRHNSCZ-UHFFFAOYSA-N 0 0 486.056 5.484 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2Cl)CC1 ZINC000021124058 195279843 /nfs/dbraw/zinc/27/98/43/195279843.db2.gz BWWNWINZYHSCJJ-UHFFFAOYSA-N 0 0 458.002 5.074 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000021123844 195279861 /nfs/dbraw/zinc/27/98/61/195279861.db2.gz CNESIZQSNYICEY-CIOPSUNISA-N 0 0 497.639 5.580 40 0 JKABRN CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000021123733 195279903 /nfs/dbraw/zinc/27/99/03/195279903.db2.gz MRBRXGUUGKPKML-WYMLVPIESA-N 0 0 454.320 5.926 40 0 JKABRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 ZINC000021123979 195279949 /nfs/dbraw/zinc/27/99/49/195279949.db2.gz OUDIONFEKNPDKS-GIDUJCDVSA-N 0 0 492.044 5.433 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)c(Cl)c1 ZINC000021124287 195280144 /nfs/dbraw/zinc/28/01/44/195280144.db2.gz HLSUKBZXTZMXPR-UHFFFAOYSA-N 0 0 478.420 5.014 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1 ZINC000021124246 195280182 /nfs/dbraw/zinc/28/01/82/195280182.db2.gz GOMLMEPEROQWAH-UHFFFAOYSA-N 0 0 478.420 5.014 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(CC)cc4)CC3)cc2)c1 ZINC000021124267 195280241 /nfs/dbraw/zinc/28/02/41/195280241.db2.gz VATZKAXRCAZPAC-UHFFFAOYSA-N 0 0 485.628 5.643 40 0 JKABRN C[C@H]1C[C@@H](N(C(=O)Cc2ccccc2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000021266927 195292402 /nfs/dbraw/zinc/29/24/02/195292402.db2.gz DGFHCQCEGVITGV-HFZDXXHNSA-N 0 0 450.538 6.036 40 0 JKABRN COc1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000021273583 195292585 /nfs/dbraw/zinc/29/25/85/195292585.db2.gz FBDYEMFWYWLJSC-UHFFFAOYSA-N 0 0 472.566 5.196 40 0 JKABRN C[C@H]1C[C@H](N(C(=O)/C=C/c2ccco2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000021266952 195292694 /nfs/dbraw/zinc/29/26/94/195292694.db2.gz ADOXIBBDXQAYPE-TUFBTJRKSA-N 0 0 452.510 6.099 40 0 JKABRN C[C@@H]1C[C@@H](N(C(=O)/C=C/c2ccco2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000021266939 195292710 /nfs/dbraw/zinc/29/27/10/195292710.db2.gz 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CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020489282 523053430 /nfs/dbraw/zinc/05/34/30/523053430.db2.gz CTLBLUCISFLNAD-RUZDIDTESA-N 0 0 460.574 6.041 40 0 JKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000044947247 523054891 /nfs/dbraw/zinc/05/48/91/523054891.db2.gz TVJYNMBPZKHSLU-RUZDIDTESA-N 0 0 488.609 6.054 40 0 JKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000020481995 523055692 /nfs/dbraw/zinc/05/56/92/523055692.db2.gz CAJRBWLGWSEAFV-XMMPIXPASA-N 0 0 495.000 6.090 40 0 JKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000022745891 523058845 /nfs/dbraw/zinc/05/88/45/523058845.db2.gz DKIUFMAFEGFJQI-UHFFFAOYSA-N 0 0 487.972 5.363 40 0 JKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000044840157 523060520 /nfs/dbraw/zinc/06/05/20/523060520.db2.gz PESSXMJWZAHSRZ-HXUWFJFHSA-N 0 0 479.385 5.590 40 0 JKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000044845201 523062099 /nfs/dbraw/zinc/06/20/99/523062099.db2.gz LFJMUBOVKDFMAB-UHFFFAOYSA-N 0 0 466.946 5.555 40 0 JKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000038771734 523062748 /nfs/dbraw/zinc/06/27/48/523062748.db2.gz QWBBHFFDFFOIJD-UHFFFAOYSA-N 0 0 460.555 5.518 40 0 JKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000022517905 523082583 /nfs/dbraw/zinc/08/25/83/523082583.db2.gz OTZTUSPWVUSCLO-OAQYLSRUSA-N 0 0 495.453 6.304 40 0 JKABRN COc1ccc(-c2cn3c(C(=S)NCc4ccccc4)c(-c4ccccc4)c4c3n2CCCC4)cc1 ZINC000027526133 523143441 /nfs/dbraw/zinc/14/34/41/523143441.db2.gz JXMKNHLTAIBIBL-UHFFFAOYSA-N 0 0 491.660 6.885 40 0 JKABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)Nc1ccccc1C ZINC000035311660 523196383 /nfs/dbraw/zinc/19/63/83/523196383.db2.gz PRFXCZKGLGRKDK-UHFFFAOYSA-N 0 0 464.620 5.073 40 0 JKABRN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(Br)cc1 ZINC000014071259 523223141 /nfs/dbraw/zinc/22/31/41/523223141.db2.gz 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CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)N4CCCC[C@H]4C)n21)CC[C@@H](C)C3 ZINC000001376549 553964177 /nfs/dbraw/zinc/96/41/77/553964177.db2.gz VUJPJZKAHYDESQ-HUUCEWRRSA-N 0 0 457.669 5.080 40 0 JKABRN COc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@@H](C)CC4 ZINC000001376518 553964183 /nfs/dbraw/zinc/96/41/83/553964183.db2.gz WQQFYMWIXQJXGL-AWEZNQCLSA-N 0 0 481.647 5.327 40 0 JKABRN COc1ccc(CNC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)C[C@@H](C)CC5)cc1 ZINC000001376564 553964187 /nfs/dbraw/zinc/96/41/87/553964187.db2.gz AAJUQDZWBWPDCR-HNNXBMFYSA-N 0 0 495.674 5.004 40 0 JKABRN CC(=O)Nc1ccc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@H](C)C4)cc1 ZINC000001377282 553964399 /nfs/dbraw/zinc/96/43/99/553964399.db2.gz HPXRFZCUJNVVEZ-ZDUSSCGKSA-N 0 0 466.632 5.383 40 0 JKABRN Cc1cccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)c1C ZINC000001376585 553964409 /nfs/dbraw/zinc/96/44/09/553964409.db2.gz DVVBUKSPFZDHJN-UHFFFAOYSA-N 0 0 463.632 5.443 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)cc1 ZINC000001376587 553964414 /nfs/dbraw/zinc/96/44/14/553964414.db2.gz PQUISGFWSZTBMG-UHFFFAOYSA-N 0 0 479.631 5.225 40 0 JKABRN Cc1ccc(C)c(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)c1 ZINC000001376574 553964475 /nfs/dbraw/zinc/96/44/75/553964475.db2.gz LNSDTCQDIYZIOO-UHFFFAOYSA-N 0 0 463.632 5.443 40 0 JKABRN CC(C)(C)c1ccc(C(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C2CCCC2)cc1 ZINC000001378055 553964745 /nfs/dbraw/zinc/96/47/45/553964745.db2.gz BCWGZEKDTQHGFO-UHFFFAOYSA-N 0 0 460.574 5.182 40 0 JKABRN COc1cc2cc(CN(Cc3ccc(C)cc3)C(=O)c3ccc(C)cc3)c(=O)[nH]c2cc1OC ZINC000001377553 553964774 /nfs/dbraw/zinc/96/47/74/553964774.db2.gz DPVUGZKWKHFAPX-UHFFFAOYSA-N 0 0 456.542 5.005 40 0 JKABRN COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001378251 553964991 /nfs/dbraw/zinc/96/49/91/553964991.db2.gz XSESOFRZNCLYNT-UHFFFAOYSA-N 0 0 461.949 5.733 40 0 JKABRN COc1ccccc1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001378283 553965021 /nfs/dbraw/zinc/96/50/21/553965021.db2.gz 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COc1cc(C(=S)N(CCc2ccccc2)CCc2ccccc2)cc(Br)c1O ZINC000001443920 553973012 /nfs/dbraw/zinc/97/30/12/553973012.db2.gz YWKJPWZYTLMRSW-UHFFFAOYSA-N 0 0 470.432 5.626 40 0 JKABRN COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(=O)c1ccccc1Cl ZINC000001443274 553973055 /nfs/dbraw/zinc/97/30/55/553973055.db2.gz WXWLSXQSIUDCKZ-HXUWFJFHSA-N 0 0 457.913 6.195 40 0 JKABRN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)N2CCN(C)CC2)c1C ZINC000001448843 553973325 /nfs/dbraw/zinc/97/33/25/553973325.db2.gz UQVCOIANJQIJQW-OAQYLSRUSA-N 0 0 475.561 5.148 40 0 JKABRN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Br)cc2)N2CCOCC2)c1C ZINC000001448767 553973421 /nfs/dbraw/zinc/97/34/21/553973421.db2.gz FQYJKUFNPDCEDB-FQEVSTJZSA-N 0 0 475.408 5.394 40 0 JKABRN Cc1ccc(N2OC3(CCCCC3)n3c(=O)c4ccccc4c(=O)n3[C@H]2c2ccccc2)cc1 ZINC000001558154 553977935 /nfs/dbraw/zinc/97/79/35/553977935.db2.gz PUAUNZLEXXWVJF-RUZDIDTESA-N 0 0 453.542 5.087 40 0 JKABRN Cc1cc(-c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(C)c2)ccc1N1C(=O)CC2(CCCC2)C1=O ZINC000001568793 553978394 /nfs/dbraw/zinc/97/83/94/553978394.db2.gz FKNISYRCQJINLY-UHFFFAOYSA-N 0 0 484.596 5.618 40 0 JKABRN C[C@H](CC(=O)c1ccccc1)C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 ZINC000001569315 553978464 /nfs/dbraw/zinc/97/84/64/553978464.db2.gz YZOLQTKVCMCPKT-HSZRJFAPSA-N 0 0 486.727 8.926 40 0 JKABRN CC/C(=C(\CC)c1ccc(OC(=O)c2ccco2)cc1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000001570951 553978863 /nfs/dbraw/zinc/97/88/63/553978863.db2.gz VUDMUAVGKIZQRY-VHXPQNKSSA-N 0 0 456.494 7.042 40 0 JKABRN Clc1cccc(Cl)c1C(Nc1nc2ccccc2s1)Nc1nc2ccccc2s1 ZINC000001583574 553979504 /nfs/dbraw/zinc/97/95/04/553979504.db2.gz VSQHCEWKCCCUDR-UHFFFAOYSA-N 0 0 457.411 7.436 40 0 JKABRN Nc1nc(-c2ccc(Cl)c(Cl)c2)cc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)n1 ZINC000001588433 553979816 /nfs/dbraw/zinc/97/98/16/553979816.db2.gz GOVJVLRXPLWKNO-UHFFFAOYSA-N 0 0 478.170 6.046 40 0 JKABRN CC(=O)Oc1cc(-c2cc(OC(C)=O)c(OC(C)=O)c3ccccc32)c2ccccc2c1OC(C)=O ZINC000001593920 553980140 /nfs/dbraw/zinc/98/01/40/553980140.db2.gz 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JKABRN COc1ccc(C(c2ccc(OC)cc2)C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000001627197 553981106 /nfs/dbraw/zinc/98/11/06/553981106.db2.gz HHQUIFSDUCERBJ-UHFFFAOYSA-N 0 0 454.566 6.685 40 0 JKABRN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2[nH]cnc3=NNC(=S)NCc2ccccc2)cc1 ZINC000001642614 553981154 /nfs/dbraw/zinc/98/11/54/553981154.db2.gz ZTVMUOPEACFMIT-UHFFFAOYSA-N 0 0 499.043 6.041 40 0 JKABRN O=C(Nc1cc(Cl)cc(Cl)c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001646532 553981364 /nfs/dbraw/zinc/98/13/64/553981364.db2.gz CZTKAVBIBLSAFX-UHFFFAOYSA-N 0 0 454.351 7.871 40 0 JKABRN CC(=O)c1sc2c(c1OC(=O)c1ccccc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000001644252 553981433 /nfs/dbraw/zinc/98/14/33/553981433.db2.gz USYGJPYRCPTZKE-UHFFFAOYSA-N 0 0 498.585 5.994 40 0 JKABRN Cc1ccc(-c2c(O)c(Br)c(-c3ccc(C)c(C)c3C)c(O)c2Br)c(C)c1 ZINC000001651935 553981454 /nfs/dbraw/zinc/98/14/54/553981454.db2.gz RMEQNCIODDLJOK-UHFFFAOYSA-N 0 0 490.235 7.499 40 0 JKABRN O=C(CC(=O)N1N=C(N(c2ccccc2)c2ccccc2)C[C@@H]1c1ccccc1)Nc1ccccc1 ZINC000001650410 553981480 /nfs/dbraw/zinc/98/14/80/553981480.db2.gz LATBMLLCWMFQGJ-HHHXNRCGSA-N 0 0 474.564 6.141 40 0 JKABRN O=C(Nc1cccc(Cl)c1)Oc1c(Br)cc(Br)cc1Br ZINC000001652001 553981675 /nfs/dbraw/zinc/98/16/75/553981675.db2.gz RCWTXAOHIWROCW-UHFFFAOYSA-N 0 0 484.369 6.238 40 0 JKABRN O=C(c1ccccc1Cc1cccc2ccccc21)c1ccc(Br)c2ccccc12 ZINC000001656988 553981696 /nfs/dbraw/zinc/98/16/96/553981696.db2.gz GPPQGPHFPYLKLC-UHFFFAOYSA-N 0 0 451.363 7.577 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001655919 553981722 /nfs/dbraw/zinc/98/17/22/553981722.db2.gz PUVBDZXTRWHGHW-UHFFFAOYSA-N 0 0 488.796 8.525 40 0 JKABRN C[C@H]1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1c(=O)/c(=C/c3ccc(Cl)cc3)sc1=N2 ZINC000001652440 553981806 /nfs/dbraw/zinc/98/18/06/553981806.db2.gz GABSYHKVFPHDHM-HOWXPDHJSA-N 0 0 455.410 5.342 40 0 JKABRN O=C(c1ccccc1)N1[C@@H](c2ccccc2)[C@@]1(c1ccccc1)C1(c2ccccc2)SCCCS1 ZINC000001664242 553982192 /nfs/dbraw/zinc/98/21/92/553982192.db2.gz 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c1nc(-c2ccc(-c3ncc(-c4cccc5ccccc54)o3)cc2)oc1-c1cccc2ccccc21 ZINC000001710745 553984285 /nfs/dbraw/zinc/98/42/85/553984285.db2.gz YPPPYJOLMPUDCM-UHFFFAOYSA-N 0 0 464.524 8.637 40 0 JKABRN CN(C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(C)c1ccccc1)c1ccccc1 ZINC000001714108 553984305 /nfs/dbraw/zinc/98/43/05/553984305.db2.gz HKNKWBFRHSEOPL-RAWLKHAVSA-N 0 0 472.588 5.836 40 0 JKABRN COc1ccc([C@H]2SC(=S)N(Cc3ccc(Cl)cc3)N2Cc2ccc(Cl)cc2)cc1 ZINC000001711905 553984314 /nfs/dbraw/zinc/98/43/14/553984314.db2.gz ZYLXRAJPMPGRKL-JOCHJYFZSA-N 0 0 475.466 6.952 40 0 JKABRN O=C(Oc1ccccc1)c1c(Cl)c(Cl)c(C(=O)Oc2ccccc2)c(Cl)c1Cl ZINC000001720117 553984663 /nfs/dbraw/zinc/98/46/63/553984663.db2.gz VVRQZNUZFONCJR-UHFFFAOYSA-N 0 0 456.108 6.739 40 0 JKABRN ClC(Cl)(Cl)c1ccc(C(SCc2ccccc2)SCc2ccccc2)cc1 ZINC000001726757 553984737 /nfs/dbraw/zinc/98/47/37/553984737.db2.gz USIDHRSKKDHIBL-UHFFFAOYSA-N 0 0 453.887 8.379 40 0 JKABRN COc1ccc(CCc2ccc(OC)c(OCc3ccccc3)c2)cc1COc1ccccc1 ZINC000001719173 553984749 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7.079 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C=Cc4ccccc4)c3)nc2c1 ZINC000001837870 553993559 /nfs/dbraw/zinc/99/35/59/553993559.db2.gz KBLDNNQQFGKRGR-RKCSUWQLSA-N 0 0 490.028 7.188 40 0 JKABRN O=C(OCc1ccccc1)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000001837793 553993595 /nfs/dbraw/zinc/99/35/95/553993595.db2.gz OENBKDCGPJRXBG-UHFFFAOYSA-N 0 0 483.907 6.290 40 0 JKABRN NC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCC2 ZINC000001838683 553993825 /nfs/dbraw/zinc/99/38/25/553993825.db2.gz JDQAIZXJEGHZNU-UHFFFAOYSA-N 0 0 480.398 5.029 40 0 JKABRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1Br ZINC000001838225 553993833 /nfs/dbraw/zinc/99/38/33/553993833.db2.gz ADHCOLSUQCEOPJ-UHFFFAOYSA-N 0 0 486.357 5.585 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000001838810 553993864 /nfs/dbraw/zinc/99/38/64/553993864.db2.gz JRVDDCBHLUKSGU-BJMVGYQFSA-N 0 0 475.759 6.560 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000001839684 553994417 /nfs/dbraw/zinc/99/44/17/553994417.db2.gz NCTNVJDENFGMMO-BQYQJAHWSA-N 0 0 467.352 7.079 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1 ZINC000001840081 553994499 /nfs/dbraw/zinc/99/44/99/553994499.db2.gz DKVIDSGXWDIOTK-JXMROGBWSA-N 0 0 481.383 6.259 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000001839914 553994555 /nfs/dbraw/zinc/99/45/55/553994555.db2.gz CDZOENNMBYYELS-JXMROGBWSA-N 0 0 453.325 6.771 40 0 JKABRN CCc1cc(I)ccc1NC(=O)c1cc(Br)ccc1Cl ZINC000001840314 553994772 /nfs/dbraw/zinc/99/47/72/553994772.db2.gz QCNIOMYGGFIZIY-UHFFFAOYSA-N 0 0 464.528 5.522 40 0 JKABRN CCOC(=O)c1sc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c(C(=O)OCC)c1C ZINC000001846313 553995051 /nfs/dbraw/zinc/99/50/51/553995051.db2.gz CZRLUHCTBKQVCW-BQYQJAHWSA-N 0 0 486.373 5.377 40 0 JKABRN CCCOc1ccc(C(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)cc1 ZINC000001846160 553995112 /nfs/dbraw/zinc/99/51/12/553995112.db2.gz PFCWUFHYTGDPOG-KRWDZBQOSA-N 0 0 462.977 7.703 40 0 JKABRN CCOC(=O)c1c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)sc2c1CCCC2 ZINC000001845996 553995135 /nfs/dbraw/zinc/99/51/35/553995135.db2.gz AWLBLQWTRUXIJP-CMDGGOBGSA-N 0 0 454.375 5.771 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(C)c(I)cc1C ZINC000001847576 553995418 /nfs/dbraw/zinc/99/54/18/553995418.db2.gz UIWASXWYXUNMPR-SNAWJCMRSA-N 0 0 476.141 5.875 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(C)c1 ZINC000001849081 553995814 /nfs/dbraw/zinc/99/58/14/553995814.db2.gz HFBHUSMFNRBTBD-UHFFFAOYSA-N 0 0 451.551 6.392 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C ZINC000001852257 553996313 /nfs/dbraw/zinc/99/63/13/553996313.db2.gz CVEARLVSSJZSPZ-FPYGCLRLSA-N 0 0 471.319 5.835 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc(Cl)ccc4Cl)c3)nc2c1 ZINC000001857654 553996910 /nfs/dbraw/zinc/99/69/10/553996910.db2.gz BJDLGKUTUKDYTP-ZDUSSCGKSA-N 0 0 473.787 8.221 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4Cl)c3)nc2c1 ZINC000001858337 553996965 /nfs/dbraw/zinc/99/69/65/553996965.db2.gz CTCWNAJNXSEMBN-HNNXBMFYSA-N 0 0 469.368 7.333 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000001857785 553996975 /nfs/dbraw/zinc/99/69/75/553996975.db2.gz GKWGIKWQZHUUKD-MDZDMXLPSA-N 0 0 475.759 6.560 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(C(C)C)cc4)c3)nc2c1 ZINC000001857869 553997026 /nfs/dbraw/zinc/99/70/26/553997026.db2.gz RVYXMDRHJZKMRJ-SFHVURJKSA-N 0 0 477.004 7.803 40 0 JKABRN C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000253589635 574421521 /nfs/dbraw/zinc/42/15/21/574421521.db2.gz KASALCUNLBTNAA-FHBZXYTHSA-N 0 0 472.710 5.601 40 0 endogenous,in-man JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000001859300 553997253 /nfs/dbraw/zinc/99/72/53/553997253.db2.gz DZDFZUOKLYJNGG-VQHVLOKHSA-N 0 0 473.743 7.116 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)nc2c1 ZINC000001858878 553997259 /nfs/dbraw/zinc/99/72/59/553997259.db2.gz VCIVOCVWFKULEP-CQSZACIVSA-N 0 0 498.435 7.442 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)cc1 ZINC000001858867 553997280 /nfs/dbraw/zinc/99/72/80/553997280.db2.gz ZGJHGJMNELTGDN-OALUTQOASA-N 0 0 491.031 8.193 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000001859055 553997375 /nfs/dbraw/zinc/99/73/75/553997375.db2.gz RFAMUWCFQKCGLR-QGZVFWFLSA-N 0 0 492.044 7.405 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc([C@@H](C)CC)cc4)c3)nc2c1 ZINC000001858869 553997383 /nfs/dbraw/zinc/99/73/83/553997383.db2.gz ZGJHGJMNELTGDN-RBUKOAKNSA-N 0 0 491.031 8.193 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000001861157 553997594 /nfs/dbraw/zinc/99/75/94/553997594.db2.gz LVMCNNOYQHFGDH-DHZHZOJOSA-N 0 0 481.379 7.586 40 0 JKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(C)cc4C)cc3n2)cc1 ZINC000001861325 553997652 /nfs/dbraw/zinc/99/76/52/553997652.db2.gz GTJCKFWBPNJISH-UHFFFAOYSA-N 0 0 492.048 6.160 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4C)c3)nc2c1 ZINC000001860020 553997663 /nfs/dbraw/zinc/99/76/63/553997663.db2.gz SRTWINUKQHJNTG-QGZVFWFLSA-N 0 0 457.599 6.752 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000001859556 553997702 /nfs/dbraw/zinc/99/77/02/553997702.db2.gz SEYFNBAOSBSSCP-ZDUSSCGKSA-N 0 0 473.787 8.221 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4C)c3)nc2c1 ZINC000001860021 553997717 /nfs/dbraw/zinc/99/77/17/553997717.db2.gz SRTWINUKQHJNTG-KRWDZBQOSA-N 0 0 457.599 6.752 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(Cl)c4Cl)c3)nc2c1 ZINC000001861741 553998008 /nfs/dbraw/zinc/99/80/08/553998008.db2.gz ZRKWRMAKWQGYPE-CYBMUJFWSA-N 0 0 473.787 8.221 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(C)cc1C ZINC000001863015 553998074 /nfs/dbraw/zinc/99/80/74/553998074.db2.gz YEIZIPCWCYDOKZ-UHFFFAOYSA-N 0 0 473.598 6.370 40 0 JKABRN CCOc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1 ZINC000001863692 553998216 /nfs/dbraw/zinc/99/82/16/553998216.db2.gz XCLNRYRSKGPPBG-BJMVGYQFSA-N 0 0 497.382 6.095 40 0 JKABRN CCc1cc(I)ccc1NC(=O)/C=C/c1cc(Br)ccc1OC ZINC000001864342 553998522 /nfs/dbraw/zinc/99/85/22/553998522.db2.gz SSTYBIIQXCQVPE-RUDMXATFSA-N 0 0 486.147 5.277 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000001865086 553998570 /nfs/dbraw/zinc/99/85/70/553998570.db2.gz AGWNJXSDVORLRP-FMIVXFBMSA-N 0 0 489.358 7.615 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 ZINC000001864418 553998576 /nfs/dbraw/zinc/99/85/76/553998576.db2.gz XARNFPYMKGZESZ-MRXNPFEDSA-N 0 0 489.402 8.721 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccccc4Cl)c3)nc2c1 ZINC000001865863 553998899 /nfs/dbraw/zinc/99/88/99/553998899.db2.gz 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ZINC000008832806 554728426 /nfs/dbraw/zinc/72/84/26/554728426.db2.gz SLNGUAVUWMDCCF-UHFFFAOYSA-N 0 0 495.560 5.974 40 0 JKABRN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1)c1cc2ccccc2o1 ZINC000008832812 554728441 /nfs/dbraw/zinc/72/84/41/554728441.db2.gz CXBVVTBMLLPYFA-UHFFFAOYSA-N 0 0 491.572 6.479 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000008832816 554728447 /nfs/dbraw/zinc/72/84/47/554728447.db2.gz FCCYINMRMYBYJN-KPKJPENVSA-N 0 0 495.387 6.293 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCCO2 ZINC000008832842 554728590 /nfs/dbraw/zinc/72/85/90/554728590.db2.gz CSTYEVJJKMJUIQ-UHFFFAOYSA-N 0 0 481.986 5.515 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)ccc1Br ZINC000008832837 554728596 /nfs/dbraw/zinc/72/85/96/554728596.db2.gz RUKUSPAKBQFNOM-UHFFFAOYSA-N 0 0 478.209 5.800 40 0 JKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)nc2c1 ZINC000008832845 554728607 /nfs/dbraw/zinc/72/86/07/554728607.db2.gz 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O=C(Cc1cccs1)N(Cc1cccnc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497729 555414829 /nfs/dbraw/zinc/41/48/29/555414829.db2.gz VLGANPYOKAHJDS-XMMPIXPASA-N 0 0 468.022 5.168 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497732 555414836 /nfs/dbraw/zinc/41/48/36/555414836.db2.gz HFRQJPFYMMTLKL-SANMLTNESA-N 0 0 497.060 5.782 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013497717 555414879 /nfs/dbraw/zinc/41/48/79/555414879.db2.gz XJSVTJUIPRSIDS-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN O=C(Cc1cccs1)N(Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497725 555414889 /nfs/dbraw/zinc/41/48/89/555414889.db2.gz BOPISIVWINLRCN-HSZRJFAPSA-N 0 0 473.063 5.834 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497724 555414913 /nfs/dbraw/zinc/41/49/13/555414913.db2.gz YWOVFTOACIXNLO-DEOSSOPVSA-N 0 0 453.007 5.777 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497708 555414916 /nfs/dbraw/zinc/41/49/16/555414916.db2.gz CTJRXFYLOZQKJY-VWLOTQADSA-N 0 0 467.034 5.773 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497752 555415085 /nfs/dbraw/zinc/41/50/85/555415085.db2.gz AXLZCOLOPVLKOU-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497738 555415108 /nfs/dbraw/zinc/41/51/08/555415108.db2.gz PYICALFQOUOFGX-VWLOTQADSA-N 0 0 467.034 5.773 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497746 555415181 /nfs/dbraw/zinc/41/51/81/555415181.db2.gz JCBAIMASVVXVBR-SANMLTNESA-N 0 0 495.044 5.980 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)c1OC ZINC000013497841 555415636 /nfs/dbraw/zinc/41/56/36/555415636.db2.gz OTFWAIMHGQPBGG-AREMUKBSSA-N 0 0 492.641 5.450 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c1OC ZINC000013497843 555415642 /nfs/dbraw/zinc/41/56/42/555415642.db2.gz LIQHIIGHIQEONN-RUZDIDTESA-N 0 0 478.614 5.141 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c1OC ZINC000013497844 555415672 /nfs/dbraw/zinc/41/56/72/555415672.db2.gz LIQHIIGHIQEONN-VWLOTQADSA-N 0 0 478.614 5.141 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)c(OC)c1 ZINC000013497856 555415717 /nfs/dbraw/zinc/41/57/17/555415717.db2.gz XSJXMQQLJVGNJC-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c(OC)c1 ZINC000013497864 555415728 /nfs/dbraw/zinc/41/57/28/555415728.db2.gz WQDZPFJJZGTVPT-SANMLTNESA-N 0 0 478.614 5.141 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1C ZINC000013497883 555415922 /nfs/dbraw/zinc/41/59/22/555415922.db2.gz IHMJZJGFKAZJTR-HHHXNRCGSA-N 0 0 476.642 5.831 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccs1 ZINC000013497875 555415925 /nfs/dbraw/zinc/41/59/25/555415925.db2.gz KQHOZCZTUWGJOK-HHHXNRCGSA-N 0 0 476.642 5.518 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccs1 ZINC000013497876 555415938 /nfs/dbraw/zinc/41/59/38/555415938.db2.gz KQHOZCZTUWGJOK-MHZLTWQESA-N 0 0 476.642 5.518 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 ZINC000013497870 555415949 /nfs/dbraw/zinc/41/59/49/555415949.db2.gz XERSOPXIHKWHDC-VWLOTQADSA-N 0 0 466.603 5.111 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)cc1OC ZINC000013497907 555416269 /nfs/dbraw/zinc/41/62/69/555416269.db2.gz YSSPPDPCSXAKEZ-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1OC ZINC000013497913 555416271 /nfs/dbraw/zinc/41/62/71/555416271.db2.gz QUIITHXNZQAOPH-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1OC ZINC000013497906 555416290 /nfs/dbraw/zinc/41/62/90/555416290.db2.gz QDQCSSIEDORINX-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(Cl)c2)c1 ZINC000013497962 555416610 /nfs/dbraw/zinc/41/66/10/555416610.db2.gz XIVGCNAMJVIESX-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)Cc2cccs2)c1 ZINC000013497943 555416643 /nfs/dbraw/zinc/41/66/43/555416643.db2.gz OQJDAUQFBHFAJX-HHHXNRCGSA-N 0 0 492.641 5.137 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)c1 ZINC000013497969 555416881 /nfs/dbraw/zinc/41/68/81/555416881.db2.gz IFWNAUHZEVFWLN-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)c1 ZINC000013497987 555416906 /nfs/dbraw/zinc/41/69/06/555416906.db2.gz FXEHTNVXLGSHQF-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)Cc2cccs2)cc1 ZINC000013498016 555417195 /nfs/dbraw/zinc/41/71/95/555417195.db2.gz WBOYTSFWEKRURL-MHZLTWQESA-N 0 0 492.641 5.137 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2C)c1 ZINC000013497997 555417200 /nfs/dbraw/zinc/41/72/00/555417200.db2.gz RZJSSFPIQSJWGG-HHHXNRCGSA-N 0 0 476.642 5.749 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)cc1 ZINC000013498019 555417202 /nfs/dbraw/zinc/41/72/02/555417202.db2.gz ZSXGUKJKMYMDRH-AREMUKBSSA-N 0 0 480.605 5.267 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000013498009 555417223 /nfs/dbraw/zinc/41/72/23/555417223.db2.gz JKALQTOHIZRZQX-HHHXNRCGSA-N 0 0 476.642 5.171 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1 ZINC000013498011 555417225 /nfs/dbraw/zinc/41/72/25/555417225.db2.gz SNHCHBGLUZJYRX-XMMPIXPASA-N 0 0 468.644 5.190 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)c1 ZINC000013498001 555417236 /nfs/dbraw/zinc/41/72/36/555417236.db2.gz VHUBCCWZZOTKAU-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(Cl)cc2)cc1 ZINC000013498031 555417494 /nfs/dbraw/zinc/41/74/94/555417494.db2.gz TYWYNBHHNBJBCQ-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1 ZINC000013498042 555417518 /nfs/dbraw/zinc/41/75/18/555417518.db2.gz CBKHVKSRAGTEJG-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)cc1 ZINC000013498055 555417529 /nfs/dbraw/zinc/41/75/29/555417529.db2.gz JGQAILKLLBJDRI-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)cc1 ZINC000013498044 555417539 /nfs/dbraw/zinc/41/75/39/555417539.db2.gz RGQWBWDTQQPJIR-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000013498038 555417551 /nfs/dbraw/zinc/41/75/51/555417551.db2.gz SDOUPIPLNLFFTL-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498084 555417762 /nfs/dbraw/zinc/41/77/62/555417762.db2.gz BDBOQKZCQCDWAP-VWLOTQADSA-N 0 0 494.588 5.050 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498073 555417772 /nfs/dbraw/zinc/41/77/72/555417772.db2.gz TXEDEVLYIFDAQZ-AREMUKBSSA-N 0 0 480.605 5.267 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498110 555418139 /nfs/dbraw/zinc/41/81/39/555418139.db2.gz DJEXBEZZRNDKDB-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498104 555418141 /nfs/dbraw/zinc/41/81/41/555418141.db2.gz OXIVLANTKJPNSB-DEOSSOPVSA-N 0 0 454.542 5.402 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498109 555418145 /nfs/dbraw/zinc/41/81/45/555418145.db2.gz DJEXBEZZRNDKDB-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC ZINC000013498112 555418160 /nfs/dbraw/zinc/41/81/60/555418160.db2.gz MPIXKPHMEGTHLQ-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1Cl)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498097 555418188 /nfs/dbraw/zinc/41/81/88/555418188.db2.gz LRSXOQOAEJWGJJ-XMMPIXPASA-N 0 0 470.997 5.916 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498163 555418643 /nfs/dbraw/zinc/41/86/43/555418643.db2.gz OSJBFEYLZJXGNZ-AREMUKBSSA-N 0 0 493.604 5.221 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498183 555418647 /nfs/dbraw/zinc/41/86/47/555418647.db2.gz GDRGBBFTBCISMK-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498178 555418658 /nfs/dbraw/zinc/41/86/58/555418658.db2.gz ZQFVCYJAVLOHTP-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498184 555418695 /nfs/dbraw/zinc/41/86/95/555418695.db2.gz GDRGBBFTBCISMK-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498192 555418880 /nfs/dbraw/zinc/41/88/80/555418880.db2.gz OSJFPHORJBBVKU-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN CCc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498205 555418895 /nfs/dbraw/zinc/41/88/95/555418895.db2.gz OUYHUNIVQRYFPW-AREMUKBSSA-N 0 0 464.606 5.825 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1 ZINC000013498190 555418918 /nfs/dbraw/zinc/41/89/18/555418918.db2.gz UAQXDOMWEZROQU-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498207 555418949 /nfs/dbraw/zinc/41/89/49/555418949.db2.gz LPJSGEVDCVKNNS-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498194 555418962 /nfs/dbraw/zinc/41/89/62/555418962.db2.gz VPTDFBSSEVADRE-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000013498245 555419149 /nfs/dbraw/zinc/41/91/49/555419149.db2.gz FMROPZMGAOICAF-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013498226 555419167 /nfs/dbraw/zinc/41/91/67/555419167.db2.gz ZKVZBJLJELNBRX-MHZLTWQESA-N 0 0 476.642 5.437 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013498242 555419215 /nfs/dbraw/zinc/41/92/15/555419215.db2.gz QTGYJSHOBXHOBH-MHZLTWQESA-N 0 0 474.626 5.635 40 0 JKABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498299 555419529 /nfs/dbraw/zinc/41/95/29/555419529.db2.gz HUIMYYDKJFJMJL-AREMUKBSSA-N 0 0 490.625 5.219 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1 ZINC000013498276 555419548 /nfs/dbraw/zinc/41/95/48/555419548.db2.gz FCIGAXWDYSFGPW-VWLOTQADSA-N 0 0 466.672 5.743 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c(OC)c1 ZINC000013498259 555419561 /nfs/dbraw/zinc/41/95/61/555419561.db2.gz VCKWWOAVLHMCQY-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013498329 555419711 /nfs/dbraw/zinc/41/97/11/555419711.db2.gz GZWYYQXILIKIRM-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013498309 555419724 /nfs/dbraw/zinc/41/97/24/555419724.db2.gz JNQHEGYWRZSJLQ-HHHXNRCGSA-N 0 0 474.626 5.635 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013498310 555419832 /nfs/dbraw/zinc/41/98/32/555419832.db2.gz JNQHEGYWRZSJLQ-MHZLTWQESA-N 0 0 474.626 5.635 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013498306 555419837 /nfs/dbraw/zinc/41/98/37/555419837.db2.gz AYDOTTSWKKPUMC-MHZLTWQESA-N 0 0 474.626 5.635 40 0 JKABRN CCOC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498371 555420104 /nfs/dbraw/zinc/42/01/04/555420104.db2.gz NOEITUZRSQSFSX-AREMUKBSSA-N 0 0 490.625 5.301 40 0 JKABRN CCOC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498372 555420120 /nfs/dbraw/zinc/42/01/20/555420120.db2.gz NOEITUZRSQSFSX-SANMLTNESA-N 0 0 490.625 5.301 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498346 555420129 /nfs/dbraw/zinc/42/01/29/555420129.db2.gz OXQFDFYVKNRQMV-SANMLTNESA-N 0 0 462.615 5.128 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498360 555420141 /nfs/dbraw/zinc/42/01/41/555420141.db2.gz XFYVILLZSLWTBN-SANMLTNESA-N 0 0 475.614 5.082 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498421 555420289 /nfs/dbraw/zinc/42/02/89/555420289.db2.gz ITEVGKHRDNSGEL-VWLOTQADSA-N 0 0 472.637 5.232 40 0 JKABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498395 555420315 /nfs/dbraw/zinc/42/03/15/555420315.db2.gz DLELUINFVUQDNQ-AREMUKBSSA-N 0 0 462.615 5.523 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498430 555420372 /nfs/dbraw/zinc/42/03/72/555420372.db2.gz KVHOWAADUPSFIB-MHZLTWQESA-N 0 0 484.648 5.592 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498382 555420497 /nfs/dbraw/zinc/42/04/97/555420497.db2.gz DCXXHOJWGYMKHU-SANMLTNESA-N 0 0 462.615 5.523 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498502 555421253 /nfs/dbraw/zinc/42/12/53/555421253.db2.gz BDBALAWIYQCBSP-AREMUKBSSA-N 0 0 486.664 5.410 40 0 JKABRN Cc1ccc2cc(CN(Cc3cccs3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498523 555421442 /nfs/dbraw/zinc/42/14/42/555421442.db2.gz FMXBZGVFBFSLLO-VWLOTQADSA-N 0 0 490.677 5.789 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498625 555423049 /nfs/dbraw/zinc/42/30/49/555423049.db2.gz JLHKLVKJZJZPAI-SANMLTNESA-N 0 0 486.620 5.038 40 0 JKABRN 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Cc1nc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)C[C@H](C)CC5)sc1C ZINC000013502547 555455890 /nfs/dbraw/zinc/45/58/90/555455890.db2.gz FOYLULYSLFGBTH-LLVKDONJSA-N 0 0 486.692 5.391 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)c3ccccc3F)cc12 ZINC000013502619 555456133 /nfs/dbraw/zinc/45/61/33/555456133.db2.gz XIVFGCUXDPFZSX-UHFFFAOYSA-N 0 0 464.566 5.096 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)c3cccc(C)c3)cc12 ZINC000013502632 555456637 /nfs/dbraw/zinc/45/66/37/555456637.db2.gz AUVFLVRZWKCGPB-UHFFFAOYSA-N 0 0 472.614 5.409 40 0 JKABRN Cc1nc(NC(=O)CSc2nc(COc3ccccc3)nc3sc4c(c32)CCCC4)sc1C ZINC000013502663 555456667 /nfs/dbraw/zinc/45/66/67/555456667.db2.gz WWTWIEGNTVLNQA-UHFFFAOYSA-N 0 0 496.683 5.953 40 0 JKABRN CCOc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(OCC)cc1NC(=O)c1cccs1 ZINC000013502709 555456948 /nfs/dbraw/zinc/45/69/48/555456948.db2.gz IFTNUQKPSBIJOM-UHFFFAOYSA-N 0 0 468.619 5.953 40 0 JKABRN Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCC3 ZINC000013502688 555456970 /nfs/dbraw/zinc/45/69/70/555456970.db2.gz WKLASIPAAVDIKU-UHFFFAOYSA-N 0 0 450.913 6.435 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2C)nnc1-c1cccs1 ZINC000013503278 555460062 /nfs/dbraw/zinc/46/00/62/555460062.db2.gz QYRCLTMTYJGJQJ-UHFFFAOYSA-N 0 0 483.644 5.380 40 0 JKABRN COc1cc(OC)cc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccoc2C)c2ccccc2)c1 ZINC000013503539 555460933 /nfs/dbraw/zinc/46/09/33/555460933.db2.gz PRLOMGHZDJUWQP-AREMUKBSSA-N 0 0 476.573 5.442 40 0 JKABRN Cc1occc1C(=O)N(c1ccc(F)cc1)[C@H](C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000013503538 555460955 /nfs/dbraw/zinc/46/09/55/555460955.db2.gz FYZDMZVDKLUERH-VWLOTQADSA-N 0 0 478.470 5.710 40 0 JKABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NCc1ccc(OC)cc1)c1cccs1 ZINC000013505926 555468832 /nfs/dbraw/zinc/46/88/32/555468832.db2.gz YMBUVZYZKIALMK-QHCPKHFHSA-N 0 0 456.633 5.047 40 0 JKABRN COc1cccc(OC)c1C(=O)NCCNc1nc(C2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000013510209 555481917 /nfs/dbraw/zinc/48/19/17/555481917.db2.gz TUPHCPFDZOIRSF-UHFFFAOYSA-N 0 0 494.661 5.477 40 0 JKABRN COCCN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000013510047 555481923 /nfs/dbraw/zinc/48/19/23/555481923.db2.gz GLASXHWYPIYFNL-UHFFFAOYSA-N 0 0 459.999 5.214 40 0 JKABRN CC(C)(C)[C@H]1CCc2c(sc3nc(C4CCCCC4)nc(NCCNC(=O)c4ccco4)c32)C1 ZINC000013510239 555481982 /nfs/dbraw/zinc/48/19/82/555481982.db2.gz KNWCIYKMFWFJJN-SFHVURJKSA-N 0 0 480.678 6.325 40 0 JKABRN Cc1sc2nc(C(C)C)nc(NCCNC(=O)N3c4ccccc4Sc4ccccc43)c2c1C ZINC000013510259 555482262 /nfs/dbraw/zinc/48/22/62/555482262.db2.gz SAJHRAJBJIZOCK-UHFFFAOYSA-N 0 0 489.670 6.856 40 0 JKABRN Cc1sc2nc(C34CC5CC(CC(C5)C3)C4)nc(SCC(=O)N3CCCC[C@@H]3C)c2c1C ZINC000013510510 555482515 /nfs/dbraw/zinc/48/25/15/555482515.db2.gz OCTKKHBPWQIUKG-AHMCPXQXSA-N 0 0 469.720 6.269 40 0 JKABRN COc1cccc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)nc3sc(C)c(C)c32)c1 ZINC000013510514 555482520 /nfs/dbraw/zinc/48/25/20/555482520.db2.gz GPVFVILMWQZIIX-UHFFFAOYSA-N 0 0 493.698 6.515 40 0 JKABRN C[C@H]1CCCCN1C(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c21)CCCC3 ZINC000013510562 555482569 /nfs/dbraw/zinc/48/25/69/555482569.db2.gz CAPGIAVVTXUNGD-BBXRDKHSSA-N 0 0 495.758 6.531 40 0 JKABRN Cc1nc2cc(N3CCCCC3)c(NC(=O)c3ccccc3F)cc2c(=O)n1Cc1ccccc1 ZINC000013511493 555483018 /nfs/dbraw/zinc/48/30/18/555483018.db2.gz FRWNQTIJLRPIDG-UHFFFAOYSA-N 0 0 470.548 5.135 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000013512783 555484108 /nfs/dbraw/zinc/48/41/08/555484108.db2.gz QNYNWTWNCVVJMW-UHFFFAOYSA-N 0 0 466.507 6.402 40 0 JKABRN CCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000013513569 555484612 /nfs/dbraw/zinc/48/46/12/555484612.db2.gz RUTXPPDJCKXBAR-UHFFFAOYSA-N 0 0 466.368 5.956 40 0 JKABRN Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)c2cc3cc4cccc(C)c4nc3s2)c1 ZINC000013513794 555484832 /nfs/dbraw/zinc/48/48/32/555484832.db2.gz UMQCHNCMUPUJQK-UHFFFAOYSA-N 0 0 471.626 6.080 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccoc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000013534148 555488320 /nfs/dbraw/zinc/48/83/20/555488320.db2.gz GOHXKZKSPHQXKG-MHZLTWQESA-N 0 0 485.559 5.856 40 0 JKABRN CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccc(C)cc4)nc4[nH]cnc43)sc2c1 ZINC000013561662 555494851 /nfs/dbraw/zinc/49/48/51/555494851.db2.gz SAQSGMDDOKHIRA-UHFFFAOYSA-N 0 0 476.587 5.068 40 0 JKABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000013561790 555495129 /nfs/dbraw/zinc/49/51/29/555495129.db2.gz BWRIJHIOZBJMGU-HSZRJFAPSA-N 0 0 469.486 5.491 40 0 JKABRN Fc1cccc([C@H](c2nnnn2C2CCCCC2)N(Cc2ccccc2)Cc2cccnc2)c1 ZINC000013561878 555495334 /nfs/dbraw/zinc/49/53/34/555495334.db2.gz XQLKAJMMDHLDGF-AREMUKBSSA-N 0 0 456.569 5.504 40 0 JKABRN COc1ccc(CCN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2ccc(OC)cc2)cc1 ZINC000013562005 555495608 /nfs/dbraw/zinc/49/56/08/555495608.db2.gz SCJCRVFAMZTWIO-UHFFFAOYSA-N 0 0 489.015 6.407 40 0 JKABRN COc1ccc(CN(Cc2cc3ccc(C)c(C)c3nc2Cl)C(=O)c2ccccc2F)cc1OC ZINC000013561983 555495632 /nfs/dbraw/zinc/49/56/32/555495632.db2.gz LBRCLVFKYRQMHP-UHFFFAOYSA-N 0 0 492.978 6.504 40 0 JKABRN COc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3cccc(C)c3)cc2c1 ZINC000013561992 555495643 /nfs/dbraw/zinc/49/56/43/555495643.db2.gz KFJHDEIDCXGGKW-UHFFFAOYSA-N 0 0 490.987 6.065 40 0 JKABRN CCc1ccc2nc(Cl)c(CN(Cc3cc(OC)c(OC)c(OC)c3)C(=O)C3CC3)cc2c1 ZINC000013562002 555495676 /nfs/dbraw/zinc/49/56/76/555495676.db2.gz LXRYUMGSRLOWTP-UHFFFAOYSA-N 0 0 468.981 5.415 40 0 JKABRN CCc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)COc3ccccc3)cc2c1 ZINC000013562069 555495890 /nfs/dbraw/zinc/49/58/90/555495890.db2.gz HBRLOPVIPUOSEW-UHFFFAOYSA-N 0 0 458.989 6.367 40 0 JKABRN CCOc1ccc2nc(Cl)c(CN(C(=O)c3ccccc3OCC)C3CCC(C)CC3)cc2c1 ZINC000013562037 555495920 /nfs/dbraw/zinc/49/59/20/555495920.db2.gz LXOXNQCIGLXPKN-UHFFFAOYSA-N 0 0 481.036 6.907 40 0 JKABRN COc1ccc2cc(CN(Cc3cccc(C)c3)C(=O)c3cccc(Cl)c3)c(Cl)nc2c1 ZINC000013562066 555495933 /nfs/dbraw/zinc/49/59/33/555495933.db2.gz CLDZRVFVADMBGV-UHFFFAOYSA-N 0 0 465.380 6.701 40 0 JKABRN COc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3ccc(C(C)(C)C)cc3)cc2c1 ZINC000013562055 555495950 /nfs/dbraw/zinc/49/59/50/555495950.db2.gz WTNDKMJUIQLJLE-UHFFFAOYSA-N 0 0 487.043 7.345 40 0 JKABRN O=C(c1cccc(F)c1)N(CCc1ccc(Cl)cc1)Cc1cc2cc3c(cc2nc1Cl)OCO3 ZINC000013562021 555495969 /nfs/dbraw/zinc/49/59/69/555495969.db2.gz KLJPJKJWAHRKMF-UHFFFAOYSA-N 0 0 497.353 6.295 40 0 JKABRN C[C@H]1CCc2cc(F)ccc2N1C(=O)CSc1ncc(-c2ccc(F)cc2)n1C1CCCC1 ZINC000013562201 555496524 /nfs/dbraw/zinc/49/65/24/555496524.db2.gz KGGOONCMWGTCOI-KRWDZBQOSA-N 0 0 467.585 6.403 40 0 JKABRN O=C(Nc1ccccc1Br)[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccccc1Br ZINC000013562389 555496822 /nfs/dbraw/zinc/49/68/22/555496822.db2.gz ATTZHFWNMFSHMT-ATNYCFDYSA-N 0 0 490.195 5.227 40 0 JKABRN Cc1cccc(N2CCN(c3cc(-c4ccccc4)nc4cc(-c5ccc(F)cc5)nn43)CC2)c1C ZINC000013562707 555497382 /nfs/dbraw/zinc/49/73/82/555497382.db2.gz MHAOZQWCDXCLOZ-UHFFFAOYSA-N 0 0 477.587 6.146 40 0 JKABRN COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(c5ccc(F)cc5)CC4)n3n2)c1 ZINC000013562756 555497548 /nfs/dbraw/zinc/49/75/48/555497548.db2.gz JJANFLTWGQDNTL-UHFFFAOYSA-N 0 0 479.559 5.538 40 0 JKABRN Clc1ccc(-c2cc3nc4c(c(N5CCC(Cc6ccccc6)CC5)n3n2)CCCC4)cc1 ZINC000013562789 555497559 /nfs/dbraw/zinc/49/75/59/555497559.db2.gz JMITXZKMPHBNAW-UHFFFAOYSA-N 0 0 457.021 6.388 40 0 JKABRN Cc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(c5ccccc5F)CC4)n3n2)c1 ZINC000013562736 555497573 /nfs/dbraw/zinc/49/75/73/555497573.db2.gz KKAHTBRCAMSREQ-UHFFFAOYSA-N 0 0 463.560 5.837 40 0 JKABRN Cc1ccc(C)c(N2CCN(c3c4c(nc5cc(-c6cccc(Cl)c6)nn53)CCCC4)CC2)c1 ZINC000013562830 555497843 /nfs/dbraw/zinc/49/78/43/555497843.db2.gz AUCRGJOHTCGBAP-UHFFFAOYSA-N 0 0 472.036 5.872 40 0 JKABRN Cc1ccc(Cl)cc1N1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn42)CCCC3)CC1 ZINC000013562821 555497846 /nfs/dbraw/zinc/49/78/46/555497846.db2.gz DBDLTLQXAJVPBR-UHFFFAOYSA-N 0 0 475.999 5.703 40 0 JKABRN COc1cccc(-c2cc3nc4c(c(N5CCN(c6cc(C)ccc6C)CC5)n3n2)CCCC4)c1 ZINC000013562834 555497904 /nfs/dbraw/zinc/49/79/04/555497904.db2.gz YTXMDVSCPVXUCC-UHFFFAOYSA-N 0 0 467.617 5.227 40 0 JKABRN Cc1nc(C)c(C(=O)N(Cc2ccccc2)[C@H](C(=O)NCc2ccco2)c2ccccc2)s1 ZINC000013563594 555498772 /nfs/dbraw/zinc/49/87/72/555498772.db2.gz RTMVXYFPJCIAFO-QHCPKHFHSA-N 0 0 459.571 5.053 40 0 JKABRN CC(C)(C)c1ccc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000013564726 555499753 /nfs/dbraw/zinc/49/97/53/555499753.db2.gz ZXAGXTXMDXWMIO-UHFFFAOYSA-N 0 0 466.560 6.430 40 0 JKABRN COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc5c(c4)CCC5)cc23)cc1OC ZINC000013564737 555499813 /nfs/dbraw/zinc/49/98/13/555499813.db2.gz DJMRBCUFSOEFHE-UHFFFAOYSA-N 0 0 492.579 5.499 40 0 JKABRN Cc1sc(NC(=O)CNc2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1 ZINC000013564990 555500671 /nfs/dbraw/zinc/50/06/71/555500671.db2.gz IECHBGSPXNNYAZ-UHFFFAOYSA-N 0 0 482.609 5.680 40 0 JKABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc([C@@H](C)O)cc4)c(Cl)c3N2)cc1 ZINC000009781029 555500866 /nfs/dbraw/zinc/50/08/66/555500866.db2.gz HDWPAJWJBOYYBC-PJSAGSTRSA-N 0 0 494.901 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464.993 6.524 40 0 JKABRN COc1cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc(OC)c1OC ZINC000013628129 555539946 /nfs/dbraw/zinc/53/99/46/555539946.db2.gz QXMOUUPSUWMKLO-UHFFFAOYSA-N 0 0 462.546 5.515 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628280 555540259 /nfs/dbraw/zinc/54/02/59/555540259.db2.gz KLNVDEVSFIQPRI-QGZVFWFLSA-N 0 0 450.966 6.296 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628682 555540521 /nfs/dbraw/zinc/54/05/21/555540521.db2.gz WFDNQVPMWUFHTL-UHFFFAOYSA-N 0 0 461.587 5.372 40 0 JKABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628826 555540546 /nfs/dbraw/zinc/54/05/46/555540546.db2.gz FSYPFLDJUZQEMS-UHFFFAOYSA-N 0 0 489.641 6.150 40 0 JKABRN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 ZINC000013632096 555541801 /nfs/dbraw/zinc/54/18/01/555541801.db2.gz IMLDULSXCKTVIN-UHFFFAOYSA-N 0 0 475.397 5.168 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2cccc(Cl)c2C)cc1 ZINC000013632424 555542280 /nfs/dbraw/zinc/54/22/80/555542280.db2.gz FKKMLYSQMPNTGU-UHFFFAOYSA-N 0 0 469.006 5.132 40 0 JKABRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)N1c2ccccc2Sc2ccccc21 ZINC000019927802 555542620 /nfs/dbraw/zinc/54/26/20/555542620.db2.gz GKXHFJWXIPRJIS-UHFFFAOYSA-N 0 0 495.427 6.156 40 0 JKABRN O=C(Nc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1)c1ccccc1 ZINC000013632596 555542595 /nfs/dbraw/zinc/54/25/95/555542595.db2.gz OLKYYPGSGRMZME-UHFFFAOYSA-N 0 0 465.578 5.584 40 0 JKABRN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c3n2)cc1 ZINC000013634602 555544290 /nfs/dbraw/zinc/54/42/90/555544290.db2.gz ROAXXWJPGSROKU-UHFFFAOYSA-N 0 0 480.368 5.874 40 0 JKABRN COc1cccc(OCc2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)c1 ZINC000019928617 555544320 /nfs/dbraw/zinc/54/43/20/555544320.db2.gz JTJQOAYZELDMQC-UHFFFAOYSA-N 0 0 465.318 5.306 40 0 JKABRN CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cc(Cl)ccc1OC ZINC000019928686 555544336 /nfs/dbraw/zinc/54/43/36/555544336.db2.gz QZLAGZYVDADCHG-UHFFFAOYSA-N 0 0 456.782 5.909 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000013634696 555544364 /nfs/dbraw/zinc/54/43/64/555544364.db2.gz MSKFPZFCKODNKZ-MUUNZHRXSA-N 0 0 481.596 6.451 40 0 JKABRN COc1ccccc1OCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000019928553 555544390 /nfs/dbraw/zinc/54/43/90/555544390.db2.gz ONDWZQCDIUNAII-UHFFFAOYSA-N 0 0 473.860 5.060 40 0 JKABRN CCCN1c2ccccc2[C@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(=O)NC1CCCCC1 ZINC000013635387 555544616 /nfs/dbraw/zinc/54/46/16/555544616.db2.gz JHZRLCYRFSBRCY-MUUNZHRXSA-N 0 0 456.590 5.069 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccc(Cl)cc1 ZINC000019928833 555544829 /nfs/dbraw/zinc/54/48/29/555544829.db2.gz XZCXKRVEJGCJFW-UHFFFAOYSA-N 0 0 466.781 6.268 40 0 JKABRN Cc1nn2c(nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1ccc(Br)cc1 ZINC000013635755 555544964 /nfs/dbraw/zinc/54/49/64/555544964.db2.gz FISYOLPQHDVZJD-UHFFFAOYSA-N 0 0 456.731 5.076 40 0 JKABRN COc1ccc(Cl)cc1-c1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)o1 ZINC000019929153 555545834 /nfs/dbraw/zinc/54/58/34/555545834.db2.gz GLUANZUVQUTRKQ-UHFFFAOYSA-N 0 0 469.737 6.048 40 0 JKABRN COc1ccc(Cl)cc1-c1nc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)n[nH]1 ZINC000019929211 555545845 /nfs/dbraw/zinc/54/58/45/555545845.db2.gz NKFKYVGAHYFRSO-UHFFFAOYSA-N 0 0 468.753 5.783 40 0 JKABRN Cc1cc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)ccc1Br ZINC000019929298 555546067 /nfs/dbraw/zinc/54/60/67/555546067.db2.gz YFRWGUGEESGUNU-UHFFFAOYSA-N 0 0 482.787 5.412 40 0 JKABRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)o1 ZINC000019929291 555546157 /nfs/dbraw/zinc/54/61/57/555546157.db2.gz DHVTZXVZZAZMTL-UHFFFAOYSA-N 0 0 465.962 6.067 40 0 JKABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000019929412 555546430 /nfs/dbraw/zinc/54/64/30/555546430.db2.gz GGLZOVWOAVGPJH-UHFFFAOYSA-N 0 0 488.613 5.363 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1cccc(NC(C)=O)c1 ZINC000019929508 555546954 /nfs/dbraw/zinc/54/69/54/555546954.db2.gz VIAXJTJDGHFBEM-UHFFFAOYSA-N 0 0 489.388 5.573 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000019930716 555547682 /nfs/dbraw/zinc/54/76/82/555547682.db2.gz PHOWQSSXASGVMU-UHFFFAOYSA-N 0 0 470.978 5.144 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000019931974 555549418 /nfs/dbraw/zinc/54/94/18/555549418.db2.gz IDXYAWLQVNEUAG-VWLOTQADSA-N 0 0 480.630 5.103 40 0 JKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1C ZINC000019932344 555549767 /nfs/dbraw/zinc/54/97/67/555549767.db2.gz VCSFCOWZWPFBGW-GOSISDBHSA-N 0 0 472.994 5.472 40 0 JKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1C ZINC000019932347 555549804 /nfs/dbraw/zinc/54/98/04/555549804.db2.gz VCSFCOWZWPFBGW-SFHVURJKSA-N 0 0 472.994 5.472 40 0 JKABRN Cc1ccccc1CSCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000019932758 555550034 /nfs/dbraw/zinc/55/00/34/555550034.db2.gz JQIKYMUKKCNISU-UHFFFAOYSA-N 0 0 475.035 5.112 40 0 JKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000019932649 555550058 /nfs/dbraw/zinc/55/00/58/555550058.db2.gz XRTRFJQSJFDIKT-HSZRJFAPSA-N 0 0 489.062 6.267 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)cc1 ZINC000019933144 555550588 /nfs/dbraw/zinc/55/05/88/555550588.db2.gz KBHDUOGBSDPISQ-GOSISDBHSA-N 0 0 468.575 5.025 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2Cl)cc1 ZINC000019933405 555550685 /nfs/dbraw/zinc/55/06/85/555550685.db2.gz JFNDNHREYNTXEX-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2cc(C)cc(C)c2)cc1 ZINC000019934025 555551233 /nfs/dbraw/zinc/55/12/33/555551233.db2.gz CKMKDVBDURMLRO-QHCPKHFHSA-N 0 0 464.631 5.301 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000019934052 555551288 /nfs/dbraw/zinc/55/12/88/555551288.db2.gz RNHXAYASRZFBKN-UHFFFAOYSA-N 0 0 486.977 5.350 40 0 JKABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000019935311 555552325 /nfs/dbraw/zinc/55/23/25/555552325.db2.gz FHDPCOCMWJJWRU-UHFFFAOYSA-N 0 0 498.215 5.102 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000013648143 555552538 /nfs/dbraw/zinc/55/25/38/555552538.db2.gz DCZQXFAZGGXFCG-HXUWFJFHSA-N 0 0 456.652 5.204 40 0 JKABRN C[C@@H](NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013648705 555553032 /nfs/dbraw/zinc/55/30/32/555553032.db2.gz JGHMIYOBNRTYCX-HXUWFJFHSA-N 0 0 464.631 5.441 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013648738 555553209 /nfs/dbraw/zinc/55/32/09/555553209.db2.gz DYFMUDZQCMRPDZ-LJQANCHMSA-N 0 0 450.604 5.584 40 0 JKABRN CCOC(=O)c1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C ZINC000013648802 555553285 /nfs/dbraw/zinc/55/32/85/555553285.db2.gz LTFSHDQBMHTBLF-AREMUKBSSA-N 0 0 474.582 5.198 40 0 JKABRN COc1ccc([C@H](CC(=O)Nc2ccc(Cl)cc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935967 555553504 /nfs/dbraw/zinc/55/35/04/555553504.db2.gz FGGHKQTZVDFXKZ-QHCPKHFHSA-N 0 0 472.994 5.048 40 0 JKABRN COc1ccc([C@H](CC(=O)Nc2cc(Cl)ccc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935971 555553571 /nfs/dbraw/zinc/55/35/71/555553571.db2.gz BDBDINWQUXUGJZ-QHCPKHFHSA-N 0 0 472.994 5.048 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2ccc(C)c(Cl)c2)cc1 ZINC000013649664 555553718 /nfs/dbraw/zinc/55/37/18/555553718.db2.gz UTTSNQDZYKVRDP-IBGZPJMESA-N 0 0 469.006 5.130 40 0 JKABRN COc1ccc([C@H](CC(=O)Nc2c(C)cccc2C(C)C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936238 555554036 /nfs/dbraw/zinc/55/40/36/555554036.db2.gz JHYRHNLCVTWGMA-VWLOTQADSA-N 0 0 480.630 5.518 40 0 JKABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000019937697 555554331 /nfs/dbraw/zinc/55/43/31/555554331.db2.gz LDUOQPGDQYMNNT-UHFFFAOYSA-N 0 0 466.324 5.717 40 0 JKABRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013659420 555555939 /nfs/dbraw/zinc/55/59/39/555555939.db2.gz JAKSDEKBLIRJKK-FKBYEOEOSA-N 0 0 469.324 5.053 40 0 JKABRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C(C)(C)C)cc1 ZINC000013667824 555556838 /nfs/dbraw/zinc/55/68/38/555556838.db2.gz JKDJMFPSAVJOHT-SFHVURJKSA-N 0 0 477.070 5.693 40 0 JKABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000013667742 555556873 /nfs/dbraw/zinc/55/68/73/555556873.db2.gz PYPZDPHWZOSSSP-WGDIFIGCSA-N 0 0 463.002 5.706 40 0 JKABRN CCOc1cccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1 ZINC000013668263 555557170 /nfs/dbraw/zinc/55/71/70/555557170.db2.gz BLJKXNRIYBYNFA-UHFFFAOYSA-N 0 0 493.412 5.611 40 0 JKABRN CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000013668418 555557492 /nfs/dbraw/zinc/55/74/92/555557492.db2.gz ODRBERUYQSIBLK-UHFFFAOYSA-N 0 0 480.630 5.174 40 0 JKABRN Cc1cccc(CCCNC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000013668573 555557775 /nfs/dbraw/zinc/55/77/75/555557775.db2.gz XEXHDKASXYBORO-UHFFFAOYSA-N 0 0 498.648 5.753 40 0 JKABRN CCOc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000013669081 555558708 /nfs/dbraw/zinc/55/87/08/555558708.db2.gz AOUAYMUEYGJHAT-VWLOTQADSA-N 0 0 466.990 5.765 40 0 JKABRN C[C@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000013670044 555560457 /nfs/dbraw/zinc/56/04/57/555560457.db2.gz VBYYZUVHCQBFGH-LEWJYISDSA-N 0 0 494.657 5.808 40 0 JKABRN Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000013670067 555560481 /nfs/dbraw/zinc/56/04/81/555560481.db2.gz PTQFPHCVZPRFGS-UHFFFAOYSA-N 0 0 450.604 5.084 40 0 JKABRN CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000013670058 555560514 /nfs/dbraw/zinc/56/05/14/555560514.db2.gz HXHVTQUZOQLOOO-UHFFFAOYSA-N 0 0 480.630 5.174 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1Cl ZINC000013670107 555560600 /nfs/dbraw/zinc/56/06/00/555560600.db2.gz FXMDPODEAWZMCU-UHFFFAOYSA-N 0 0 489.424 5.553 40 0 JKABRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C(C)(C)C)cc1 ZINC000013670308 555560809 /nfs/dbraw/zinc/56/08/09/555560809.db2.gz YXUSMHRJBQWKQF-KRWDZBQOSA-N 0 0 463.043 5.303 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000019946274 555563034 /nfs/dbraw/zinc/56/30/34/555563034.db2.gz KQNFCLIXJSLSQF-UHFFFAOYSA-N 0 0 472.566 5.621 40 0 JKABRN Cc1cccc(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000013671694 555563199 /nfs/dbraw/zinc/56/31/99/555563199.db2.gz KSRGLSAUIFNZNB-UHFFFAOYSA-N 0 0 496.938 5.179 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccc(C)c(C)c2)cc1 ZINC000019947046 555563444 /nfs/dbraw/zinc/56/34/44/555563444.db2.gz IDTFNBOUFYXPON-UHFFFAOYSA-N 0 0 458.583 5.599 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000013671858 555563515 /nfs/dbraw/zinc/56/35/15/555563515.db2.gz DNCVCTNAIHHOOL-OAQYLSRUSA-N 0 0 478.658 5.619 40 0 JKABRN C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013672067 555563538 /nfs/dbraw/zinc/56/35/38/555563538.db2.gz ZFEIOJNLAYWHFX-FQEVSTJZSA-N 0 0 450.604 5.057 40 0 JKABRN Cc1cc(C)cc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000019947409 555563821 /nfs/dbraw/zinc/56/38/21/555563821.db2.gz LKFVTZQQTJQXPS-UHFFFAOYSA-N 0 0 486.593 5.930 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cc(C)cc(C)c2)cc1 ZINC000019947605 555563854 /nfs/dbraw/zinc/56/38/54/555563854.db2.gz XUVVXBDODOABIN-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(CCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000013672625 555564201 /nfs/dbraw/zinc/56/42/01/555564201.db2.gz HDKNAEAXUBDRGN-UHFFFAOYSA-N 0 0 464.631 5.063 40 0 JKABRN Cc1ccc(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000013672957 555564570 /nfs/dbraw/zinc/56/45/70/555564570.db2.gz SNAMKSWKPJNDHA-HHHXNRCGSA-N 0 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CC(C)c1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)sc2c3CCCC2)cc1 ZINC000019996699 555576940 /nfs/dbraw/zinc/57/69/40/555576940.db2.gz LSXXVRVYTQFCQR-UHFFFAOYSA-N 0 0 457.599 5.766 40 0 JKABRN O=C(Cn1c(=O)c2c(nc1-c1ccccc1)sc1c2CCCC1)Nc1ccccc1Br ZINC000019996693 555576983 /nfs/dbraw/zinc/57/69/83/555576983.db2.gz DMWQQPIOGOHWAP-UHFFFAOYSA-N 0 0 494.414 5.405 40 0 JKABRN COc1ccc(NC(=O)Cn2c(=O)c3c4c(sc3nc2-c2ccccc2)CCCC4)cc1Cl ZINC000019996475 555577006 /nfs/dbraw/zinc/57/70/06/555577006.db2.gz SZFJVCFFFYHFIO-UHFFFAOYSA-N 0 0 479.989 5.305 40 0 JKABRN CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(Br)c1 ZINC000013683848 555577949 /nfs/dbraw/zinc/57/79/49/555577949.db2.gz BDJITKCQJORFPZ-QGZVFWFLSA-N 0 0 481.390 5.520 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2C)c(C)c1 ZINC000020004521 555578044 /nfs/dbraw/zinc/57/80/44/555578044.db2.gz GRAYIYCKWPWEME-HSZRJFAPSA-N 0 0 471.022 5.102 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 ZINC000020004535 555578063 /nfs/dbraw/zinc/57/80/63/555578063.db2.gz KZPAWHYFYUGRMR-QFIPXVFZSA-N 0 0 491.440 5.447 40 0 JKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013684326 555578281 /nfs/dbraw/zinc/57/82/81/555578281.db2.gz NAZXFPNBHJPMRX-UHFFFAOYSA-N 0 0 473.754 5.050 40 0 JKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1Br ZINC000013684126 555578297 /nfs/dbraw/zinc/57/82/97/555578297.db2.gz XDJXVENTLGMZOC-UHFFFAOYSA-N 0 0 455.352 5.148 40 0 JKABRN CSc1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020004969 555578855 /nfs/dbraw/zinc/57/88/55/555578855.db2.gz WRONYUJHVNLNSN-PXDATVDWSA-N 0 0 496.698 5.101 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1 ZINC000020004915 555578952 /nfs/dbraw/zinc/57/89/52/555578952.db2.gz MEQRJZPQJPRPRL-YKSBVNFPSA-N 0 0 485.049 5.032 40 0 JKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000013686776 555580235 /nfs/dbraw/zinc/58/02/35/555580235.db2.gz 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ZINC000013687863 555581162 /nfs/dbraw/zinc/58/11/62/555581162.db2.gz TXDFXNFMTIJNFN-UHFFFAOYSA-N 0 0 474.910 5.900 40 0 JKABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000020009577 555585259 /nfs/dbraw/zinc/58/52/59/555585259.db2.gz AHUDFUKIIUJRQO-QFIPXVFZSA-N 0 0 487.021 5.000 40 0 JKABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)c(F)c1 ZINC000020011447 555587501 /nfs/dbraw/zinc/58/75/01/555587501.db2.gz GCCZOWRBKHLADP-UHFFFAOYSA-N 0 0 485.339 5.101 40 0 JKABRN CSc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020011499 555587528 /nfs/dbraw/zinc/58/75/28/555587528.db2.gz YISXQANBFQYMFL-OAQYLSRUSA-N 0 0 482.671 5.094 40 0 JKABRN Cc1ccc(F)cc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000020011705 555587845 /nfs/dbraw/zinc/58/78/45/555587845.db2.gz XARHOXVYFDXDJZ-UHFFFAOYSA-N 0 0 481.376 5.271 40 0 JKABRN Cc1cccc(CN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020011829 555587881 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NVPTXZMEGQBIHH-UHFFFAOYSA-N 0 0 499.366 5.410 40 0 JKABRN CC[C@@H](C(=O)Nc1ccc(CSc2ccccc2)cc1C)N(c1ccccc1)S(C)(=O)=O ZINC000013711345 555588787 /nfs/dbraw/zinc/58/87/87/555588787.db2.gz YPOBOLLVQDTCDR-DEOSSOPVSA-N 0 0 468.644 5.471 40 0 JKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013709276 555588830 /nfs/dbraw/zinc/58/88/30/555588830.db2.gz MJAHADFNZPSEDH-HSZRJFAPSA-N 0 0 450.582 5.541 40 0 JKABRN C[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013709278 555588865 /nfs/dbraw/zinc/58/88/65/555588865.db2.gz MJAHADFNZPSEDH-QHCPKHFHSA-N 0 0 450.582 5.541 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccccc2Cl)cc1 ZINC000020012553 555588895 /nfs/dbraw/zinc/58/88/95/555588895.db2.gz DTLRXVXWISVJQY-RUZDIDTESA-N 0 0 483.033 5.033 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)Cc2ccccc2)c(C)c1 ZINC000020012753 555589136 /nfs/dbraw/zinc/58/91/36/555589136.db2.gz ZVQSCNMJIPCZCW-NRFANRHFSA-N 0 0 485.049 5.334 40 0 JKABRN CC[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711914 555589377 /nfs/dbraw/zinc/58/93/77/555589377.db2.gz MJNHSUHAQBFQJR-XMMPIXPASA-N 0 0 471.022 5.114 40 0 JKABRN Cc1ccc(CN(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013415 555589395 /nfs/dbraw/zinc/58/93/95/555589395.db2.gz FNDQTLNNQLMLAF-MHZLTWQESA-N 0 0 490.669 5.305 40 0 JKABRN Cc1ccc(CN(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013412 555589397 /nfs/dbraw/zinc/58/93/97/555589397.db2.gz FNDQTLNNQLMLAF-HHHXNRCGSA-N 0 0 490.669 5.305 40 0 JKABRN CC[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712026 555589447 /nfs/dbraw/zinc/58/94/47/555589447.db2.gz DEHHTDJZHHBWSG-QFIPXVFZSA-N 0 0 458.967 5.316 40 0 JKABRN CC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712024 555589451 /nfs/dbraw/zinc/58/94/51/555589451.db2.gz DEHHTDJZHHBWSG-JOCHJYFZSA-N 0 0 458.967 5.316 40 0 JKABRN CSc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013485 555589752 /nfs/dbraw/zinc/58/97/52/555589752.db2.gz FEOJHIYFWIEPDK-OAQYLSRUSA-N 0 0 488.719 5.535 40 0 JKABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000010000239 555589823 /nfs/dbraw/zinc/58/98/23/555589823.db2.gz PMODQHHAYZYZTK-XRHWURSXSA-N 0 0 493.651 5.722 40 0 JKABRN C[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000010000238 555589829 /nfs/dbraw/zinc/58/98/29/555589829.db2.gz PMODQHHAYZYZTK-NVLPUFGLSA-N 0 0 493.651 5.722 40 0 JKABRN COc1cc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc(OC)c1OC ZINC000010001411 555590260 /nfs/dbraw/zinc/59/02/60/555590260.db2.gz NJKZBKPUSXTJFO-UHFFFAOYSA-N 0 0 468.513 5.160 40 0 JKABRN CCOc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4OC)c(OCC)c3)C(=O)O2)cc1 ZINC000010001815 555590281 /nfs/dbraw/zinc/59/02/81/555590281.db2.gz PPRBCHMVPFCEPD-CJLVFECKSA-N 0 0 487.508 5.056 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000020014305 555590305 /nfs/dbraw/zinc/59/03/05/555590305.db2.gz LHVSFCVQCYFFLR-QHCPKHFHSA-N 0 0 499.032 5.046 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000010004000 555590847 /nfs/dbraw/zinc/59/08/47/555590847.db2.gz BPONHLHVPPWSHI-UHFFFAOYSA-N 0 0 489.553 5.482 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc2c(c1)OCO2 ZINC000010003973 555590872 /nfs/dbraw/zinc/59/08/72/555590872.db2.gz FDHAHLMQNWUHHI-UHFFFAOYSA-N 0 0 451.891 5.004 40 0 JKABRN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccccc1)N2 ZINC000010004093 555591133 /nfs/dbraw/zinc/59/11/33/555591133.db2.gz ZGXAJTSWRODLIW-FXYMSTDBSA-N 0 0 452.554 5.642 40 0 JKABRN CC[C@H](C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713531 555591192 /nfs/dbraw/zinc/59/11/92/555591192.db2.gz QPZSKQNOEPKEFO-AUJBFMOVSA-N 0 0 480.674 5.646 40 0 JKABRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714789 555592207 /nfs/dbraw/zinc/59/22/07/555592207.db2.gz SHGBMMITXGRSEM-NRFANRHFSA-N 0 0 493.412 5.969 40 0 JKABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)C(c4ccccc4)c4ccccc4)c3)nn12 ZINC000010010279 555592202 /nfs/dbraw/zinc/59/22/02/555592202.db2.gz YYFKEBUFDDPFOO-UHFFFAOYSA-N 0 0 469.570 5.194 40 0 JKABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nn12 ZINC000010010307 555592227 /nfs/dbraw/zinc/59/22/27/555592227.db2.gz DHAPVMCFWXKZGA-SDNWHVSQSA-N 0 0 471.542 5.336 40 0 JKABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4sc5ccccc5c4Cl)c3)nn12 ZINC000010010275 555592231 /nfs/dbraw/zinc/59/22/31/555592231.db2.gz FVRSDZVIPZAAFD-UHFFFAOYSA-N 0 0 469.979 5.544 40 0 JKABRN CC[C@@H](C(=O)Nc1ccc2c(c1)c1ccccc1n2CC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714989 555592541 /nfs/dbraw/zinc/59/25/41/555592541.db2.gz DESKARCDZKENNZ-QFIPXVFZSA-N 0 0 484.021 5.651 40 0 JKABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4c(C)cc(Cl)cc4Cl)c3)nn12 ZINC000010010353 555592513 /nfs/dbraw/zinc/59/25/13/555592513.db2.gz NFNFBEYKWNLVBA-UHFFFAOYSA-N 0 0 492.388 5.057 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 ZINC000020016560 555592618 /nfs/dbraw/zinc/59/26/18/555592618.db2.gz KXGPMYSBXKTOCY-AWEZNQCLSA-N 0 0 494.457 5.072 40 0 JKABRN CC[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715760 555593254 /nfs/dbraw/zinc/59/32/54/555593254.db2.gz YNCPXCBECKDOBT-NRFANRHFSA-N 0 0 458.580 5.160 40 0 JKABRN CC[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715758 555593328 /nfs/dbraw/zinc/59/33/28/555593328.db2.gz YNCPXCBECKDOBT-OAQYLSRUSA-N 0 0 458.580 5.160 40 0 JKABRN CC[C@H](C(=O)Nc1ccc(CSc2ccccc2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716429 555593863 /nfs/dbraw/zinc/59/38/63/555593863.db2.gz WZHCZABGYFFZJL-RUZDIDTESA-N 0 0 482.671 5.779 40 0 JKABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716646 555593927 /nfs/dbraw/zinc/59/39/27/555593927.db2.gz SZMDJAXGGWYKHH-HSZRJFAPSA-N 0 0 487.021 5.932 40 0 JKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013717039 555594405 /nfs/dbraw/zinc/59/44/05/555594405.db2.gz BQXLXDAVQRSBOE-UHFFFAOYSA-N 0 0 462.615 5.412 40 0 JKABRN Cc1cc(I)ccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013717185 555594452 /nfs/dbraw/zinc/59/44/52/555594452.db2.gz FHHSJNHBMPQZJB-UHFFFAOYSA-N 0 0 458.324 6.434 40 0 JKABRN O=C(NCCSCc1ccc(Cl)cc1Cl)N1c2ccccc2Sc2ccccc21 ZINC000013717149 555594465 /nfs/dbraw/zinc/59/44/65/555594465.db2.gz PJZOKGAQMYELFI-UHFFFAOYSA-N 0 0 461.439 7.239 40 0 JKABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716772 555594472 /nfs/dbraw/zinc/59/44/72/555594472.db2.gz WJKOLPLQBLJLOR-GOSISDBHSA-N 0 0 462.921 5.159 40 0 JKABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716763 555594491 /nfs/dbraw/zinc/59/44/91/555594491.db2.gz SLBGQBGZDCPNSP-DEOSSOPVSA-N 0 0 499.032 5.371 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cc1C ZINC000020019965 555596157 /nfs/dbraw/zinc/59/61/57/555596157.db2.gz OWTKBIGPXMTNTK-GOSISDBHSA-N 0 0 472.994 5.014 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)c1 ZINC000020020261 555596956 /nfs/dbraw/zinc/59/69/56/555596956.db2.gz GMBKBDKQBXTOHF-SFHVURJKSA-N 0 0 472.994 5.014 40 0 JKABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000020020441 555597253 /nfs/dbraw/zinc/59/72/53/555597253.db2.gz IEXNSBHXYRMXMV-INIZCTEOSA-N 0 0 491.034 5.119 40 0 JKABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000020020410 555597257 /nfs/dbraw/zinc/59/72/57/555597257.db2.gz KRAUMFFCLNNKME-HNNXBMFYSA-N 0 0 479.385 5.050 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000020021058 555598093 /nfs/dbraw/zinc/59/80/93/555598093.db2.gz AGUFPKVQFJYGMC-INIZCTEOSA-N 0 0 493.412 5.359 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000020021055 555598121 /nfs/dbraw/zinc/59/81/21/555598121.db2.gz AGUFPKVQFJYGMC-MRXNPFEDSA-N 0 0 493.412 5.359 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(C)c2)cc1 ZINC000020021634 555598727 /nfs/dbraw/zinc/59/87/27/555598727.db2.gz FBDQJDLLKQMQOF-UHFFFAOYSA-N 0 0 496.482 5.280 40 0 JKABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)c1ccc(Cl)cc1 ZINC000020023072 555600960 /nfs/dbraw/zinc/60/09/60/555600960.db2.gz XUXBVLUTTJDYML-OAHLLOKOSA-N 0 0 479.385 5.050 40 0 JKABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000020023772 555601747 /nfs/dbraw/zinc/60/17/47/555601747.db2.gz XVYDWMSVBADAIF-RBUKOAKNSA-N 0 0 471.022 5.190 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000020024257 555602378 /nfs/dbraw/zinc/60/23/78/555602378.db2.gz IKBVEHMUSAPBQU-GOSISDBHSA-N 0 0 456.995 5.259 40 0 JKABRN CSc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000020024311 555602383 /nfs/dbraw/zinc/60/23/83/555602383.db2.gz LTXAGSVVAHVYFL-IBGZPJMESA-N 0 0 468.644 5.328 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000010035189 555602868 /nfs/dbraw/zinc/60/28/68/555602868.db2.gz FQIDBJUPCOQFFX-UHFFFAOYSA-N 0 0 467.934 5.054 40 0 JKABRN O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc2c(c1)OCO2 ZINC000010039705 555604666 /nfs/dbraw/zinc/60/46/66/555604666.db2.gz QXTYERHCISNUNH-UHFFFAOYSA-N 0 0 487.309 6.392 40 0 JKABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000010039337 555604740 /nfs/dbraw/zinc/60/47/40/555604740.db2.gz VLWDCGWOTCQUBG-KRXBUXKQSA-N 0 0 491.352 5.175 40 0 JKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3Cl)nc2c1 ZINC000010040441 555605391 /nfs/dbraw/zinc/60/53/91/555605391.db2.gz SEBIVEYSMIYKKG-UHFFFAOYSA-N 0 0 479.945 5.566 40 0 JKABRN COc1cc(C(=O)Nc2ccccc2I)ccc1OCc1ccccc1 ZINC000010041660 555606143 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VBSPLJNNAOTFKW-INIZCTEOSA-N 0 0 493.412 5.817 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3cccc(C)c3)cc2Cl)cc1 ZINC000020037966 555612115 /nfs/dbraw/zinc/61/21/15/555612115.db2.gz RHUGYJTXDPZBNP-UHFFFAOYSA-N 0 0 489.062 5.421 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc3ccccc3cc2OC)cc1OC ZINC000020038522 555612503 /nfs/dbraw/zinc/61/25/03/555612503.db2.gz RTNUGTGNQMOQFE-UHFFFAOYSA-N 0 0 484.552 5.090 40 0 JKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000020039419 555612780 /nfs/dbraw/zinc/61/27/80/555612780.db2.gz AVZIKRIBAQZKGG-JOCHJYFZSA-N 0 0 493.412 5.899 40 0 JKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020039989 555612990 /nfs/dbraw/zinc/61/29/90/555612990.db2.gz DADOEECAWCLHED-UHFFFAOYSA-N 0 0 495.025 6.544 40 0 JKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020040042 555613023 /nfs/dbraw/zinc/61/30/23/555613023.db2.gz LHYSOPSLGKTWBZ-UHFFFAOYSA-N 0 0 490.195 6.353 40 0 JKABRN 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CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)c2)cc1 ZINC000020043128 555614746 /nfs/dbraw/zinc/61/47/46/555614746.db2.gz LFSGTTITZVERCP-UHFFFAOYSA-N 0 0 499.032 5.273 40 0 JKABRN O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020043166 555614776 /nfs/dbraw/zinc/61/47/76/555614776.db2.gz ICOGBQXUSAWQII-UHFFFAOYSA-N 0 0 461.565 5.432 40 0 JKABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000020044115 555615326 /nfs/dbraw/zinc/61/53/26/555615326.db2.gz SQYBXARLCATJOS-RUZDIDTESA-N 0 0 485.436 6.040 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020044348 555615579 /nfs/dbraw/zinc/61/55/79/555615579.db2.gz IDDNYKSCWNMEOJ-QHCPKHFHSA-N 0 0 491.440 5.765 40 0 JKABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc2)cc1 ZINC000020044854 555615927 /nfs/dbraw/zinc/61/59/27/555615927.db2.gz IOILQUUUNXTHMJ-SFHVURJKSA-N 0 0 454.617 5.033 40 0 JKABRN Cc1cccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020045502 555616292 /nfs/dbraw/zinc/61/62/92/555616292.db2.gz SIGLTERXYIXAHO-UHFFFAOYSA-N 0 0 477.413 5.156 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)c(Cl)c2)cc1 ZINC000020045933 555616616 /nfs/dbraw/zinc/61/66/16/555616616.db2.gz CSKQNPQARPLLSM-SFHVURJKSA-N 0 0 485.049 6.238 40 0 JKABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000013777171 555617110 /nfs/dbraw/zinc/61/71/10/555617110.db2.gz KPTSLMXGOYHPKY-KCHLEUMXSA-N 0 0 476.532 5.317 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc4c(ccc5ccccc45)o3)c2)cc1 ZINC000020047305 555617914 /nfs/dbraw/zinc/61/79/14/555617914.db2.gz VSHNRJQGOBICHQ-UHFFFAOYSA-N 0 0 462.549 7.388 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3Cl)c2)cc1 ZINC000020048162 555618293 /nfs/dbraw/zinc/61/82/93/555618293.db2.gz QUBAZWDDBPSGRZ-UHFFFAOYSA-N 0 0 456.995 5.832 40 0 JKABRN CCSc1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000020048928 555618481 /nfs/dbraw/zinc/61/84/81/555618481.db2.gz WQYBVKMYKFLAKC-UHFFFAOYSA-N 0 0 491.034 5.295 40 0 JKABRN O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020048767 555618507 /nfs/dbraw/zinc/61/85/07/555618507.db2.gz YUYPNPOHAPOXGG-LJAQVGFWSA-N 0 0 496.632 5.890 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000020049367 555619014 /nfs/dbraw/zinc/61/90/14/555619014.db2.gz INERPRKOEFOEDI-SANMLTNESA-N 0 0 497.060 5.096 40 0 JKABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000020049429 555619059 /nfs/dbraw/zinc/61/90/59/555619059.db2.gz JTDLVWYAFPHLPJ-CQSZACIVSA-N 0 0 495.384 5.209 40 0 JKABRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(OCCSc2ccccc2)cc1 ZINC000020049799 555619307 /nfs/dbraw/zinc/61/93/07/555619307.db2.gz GDMBWXWLUALNCU-UHFFFAOYSA-N 0 0 492.493 6.828 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020049959 555619343 /nfs/dbraw/zinc/61/93/43/555619343.db2.gz 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CC[C@H](NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000020050684 555620095 /nfs/dbraw/zinc/62/00/95/555620095.db2.gz DKULAPPZKPKHEM-QHCPKHFHSA-N 0 0 456.995 5.187 40 0 JKABRN Cc1ccc(CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000010110420 555620193 /nfs/dbraw/zinc/62/01/93/555620193.db2.gz BOHJLPKYDQLILZ-UHFFFAOYSA-N 0 0 491.440 5.246 40 0 JKABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000010111824 555623232 /nfs/dbraw/zinc/62/32/32/555623232.db2.gz JQLMQZKYOHAFBV-OAQYLSRUSA-N 0 0 494.657 5.374 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)cc1 ZINC000010111855 555623590 /nfs/dbraw/zinc/62/35/90/555623590.db2.gz ITYZZDGULBYPHE-FQEVSTJZSA-N 0 0 499.076 6.019 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2cccc(Cl)c2)cc1 ZINC000010111854 555623597 /nfs/dbraw/zinc/62/35/97/555623597.db2.gz WNXGTZDNCYPJNW-HXUWFJFHSA-N 0 0 499.076 6.019 40 0 JKABRN C[C@@H](NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111916 555623604 /nfs/dbraw/zinc/62/36/04/555623604.db2.gz ZUHDTHOYUOGVFO-LJQANCHMSA-N 0 0 499.076 6.095 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)cc1 ZINC000010111856 555623656 /nfs/dbraw/zinc/62/36/56/555623656.db2.gz ITYZZDGULBYPHE-HXUWFJFHSA-N 0 0 499.076 6.019 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000010111898 555623662 /nfs/dbraw/zinc/62/36/62/555623662.db2.gz KBDGMLIVUNTZQH-HXUWFJFHSA-N 0 0 480.630 5.065 40 0 JKABRN C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111946 555623840 /nfs/dbraw/zinc/62/38/40/555623840.db2.gz BMBYDQCIVXWKTQ-PBBNMVCDSA-N 0 0 486.681 6.292 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000010111953 555623847 /nfs/dbraw/zinc/62/38/47/555623847.db2.gz SLAWMHIHOCYATA-FQEVSTJZSA-N 0 0 464.631 5.609 40 0 JKABRN COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010111931 555623878 /nfs/dbraw/zinc/62/38/78/555623878.db2.gz YLVQHTKJHDAMIK-NRFANRHFSA-N 0 0 494.657 5.374 40 0 JKABRN C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000020061055 555623954 /nfs/dbraw/zinc/62/39/54/555623954.db2.gz WWSITVWJQOQSAF-HNNXBMFYSA-N 0 0 495.453 6.055 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000020061262 555624039 /nfs/dbraw/zinc/62/40/39/555624039.db2.gz VAIZKXXYGPEFBQ-UHFFFAOYSA-N 0 0 493.810 5.321 40 0 JKABRN Cc1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010112029 555624241 /nfs/dbraw/zinc/62/42/41/555624241.db2.gz XVYAQDUIOKZGGE-IBGZPJMESA-N 0 0 450.604 5.584 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)cc1 ZINC000010111994 555624311 /nfs/dbraw/zinc/62/43/11/555624311.db2.gz FRUHLZCAQBJKKU-HXUWFJFHSA-N 0 0 464.631 5.893 40 0 JKABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000010112690 555626004 /nfs/dbraw/zinc/62/60/04/555626004.db2.gz ULYLPTPSEKBHMW-UHFFFAOYSA-N 0 0 472.846 6.881 40 0 JKABRN O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000010112689 555626073 /nfs/dbraw/zinc/62/60/73/555626073.db2.gz RFKPATPQADFWIG-UHFFFAOYSA-N 0 0 472.846 6.881 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000010119221 555629752 /nfs/dbraw/zinc/62/97/52/555629752.db2.gz LLRONDPIUYXBGP-UHFFFAOYSA-N 0 0 473.743 6.397 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(NC(C)=O)c2)cc1Cl ZINC000010119263 555629754 /nfs/dbraw/zinc/62/97/54/555629754.db2.gz UOUVIWAPEOCEND-UHFFFAOYSA-N 0 0 461.905 5.048 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl ZINC000010119238 555629800 /nfs/dbraw/zinc/62/98/00/555629800.db2.gz JNGCOXAOLRMXMU-UHFFFAOYSA-N 0 0 461.905 5.048 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Br)c2)cc1Cl ZINC000010119212 555629812 /nfs/dbraw/zinc/62/98/12/555629812.db2.gz RWXVPGSAEFGILW-UHFFFAOYSA-N 0 0 483.749 5.852 40 0 JKABRN C(=C/c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)\c1ccc(OCc2ccccc2)cc1 ZINC000013833124 555630559 /nfs/dbraw/zinc/63/05/59/555630559.db2.gz DNTQLVRXOUFTAQ-WUKNDPDISA-N 0 0 498.622 8.594 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)oc2c(Br)c1 ZINC000010119718 555630956 /nfs/dbraw/zinc/63/09/56/555630956.db2.gz BXSSZFOUPVGGOH-UHFFFAOYSA-N 0 0 490.184 7.379 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)oc2c(Br)c1 ZINC000010119719 555630990 /nfs/dbraw/zinc/63/09/90/555630990.db2.gz UFBFTAWKGLQNBF-UHFFFAOYSA-N 0 0 490.184 7.379 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)oc2c(Br)c1 ZINC000010119774 555631165 /nfs/dbraw/zinc/63/11/65/555631165.db2.gz VZEWPJKIDMILAB-UHFFFAOYSA-N 0 0 479.330 5.843 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)CSc4ccccc4)cc3)oc2c(Br)c1 ZINC000010119772 555631204 /nfs/dbraw/zinc/63/12/04/555631204.db2.gz KHAHWXZGSPWJRC-UHFFFAOYSA-N 0 0 467.388 6.551 40 0 JKABRN CCc1cc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)oc2c(Br)c1 ZINC000010119780 555631214 /nfs/dbraw/zinc/63/12/14/555631214.db2.gz LZQJZLYVAJVGNX-UHFFFAOYSA-N 0 0 471.376 5.929 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)oc2c(Br)c1 ZINC000010119736 555631278 /nfs/dbraw/zinc/63/12/78/555631278.db2.gz WTBKAOIGUXAYQG-UHFFFAOYSA-N 0 0 479.374 6.859 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)oc2c(Br)c1 ZINC000010119739 555631283 /nfs/dbraw/zinc/63/12/83/555631283.db2.gz FCRZCYFRPLDWMW-UHFFFAOYSA-N 0 0 479.374 6.859 40 0 JKABRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000013841910 555631485 /nfs/dbraw/zinc/63/14/85/555631485.db2.gz RGTKJLYHTSKEFN-UHFFFAOYSA-N 0 0 451.379 5.223 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)COc4cccc(C)c4)cc3)oc2c(Br)c1 ZINC000010119798 555631496 /nfs/dbraw/zinc/63/14/96/555631496.db2.gz YVCYZQDUHNYMGU-UHFFFAOYSA-N 0 0 465.347 6.146 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)COc4cccc(C)c4C)cc3)oc2c(Br)c1 ZINC000010119804 555631548 /nfs/dbraw/zinc/63/15/48/555631548.db2.gz LOHRNBPNDOLWPL-UHFFFAOYSA-N 0 0 479.374 6.454 40 0 JKABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000010119946 555631745 /nfs/dbraw/zinc/63/17/45/555631745.db2.gz BWCBQQUQIWPAMC-UHFFFAOYSA-N 0 0 469.885 5.166 40 0 JKABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2CC)cc1 ZINC000013842201 555631797 /nfs/dbraw/zinc/63/17/97/555631797.db2.gz YCSCTIQEUNNVDQ-UHFFFAOYSA-N 0 0 479.631 5.294 40 0 JKABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000010119943 555631773 /nfs/dbraw/zinc/63/17/73/555631773.db2.gz GJUMWUVFHZPBSL-UHFFFAOYSA-N 0 0 496.346 5.136 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120095 555631958 /nfs/dbraw/zinc/63/19/58/555631958.db2.gz LFZDPDUAUYMGLI-NTCAYCPXSA-N 0 0 454.913 6.984 40 0 JKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013842713 555631980 /nfs/dbraw/zinc/63/19/80/555631980.db2.gz JWODURXGHBLLOT-UHFFFAOYSA-N 0 0 478.540 5.750 40 0 JKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000013842735 555632024 /nfs/dbraw/zinc/63/20/24/555632024.db2.gz VHAILGIZYRQEJA-UHFFFAOYSA-N 0 0 475.014 5.393 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1Br ZINC000010120026 555631979 /nfs/dbraw/zinc/63/19/79/555631979.db2.gz YQGLVSCSDUSCGQ-UHFFFAOYSA-N 0 0 451.320 5.832 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120096 555631987 /nfs/dbraw/zinc/63/19/87/555631987.db2.gz WBGWQKYZVZANKX-NTCAYCPXSA-N 0 0 499.364 7.093 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120097 555632034 /nfs/dbraw/zinc/63/20/34/555632034.db2.gz LENWCOZXXHPEFV-UKTHLTGXSA-N 0 0 489.358 7.637 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2CC)cc1 ZINC000013842714 555632086 /nfs/dbraw/zinc/63/20/86/555632086.db2.gz XFZLCWXOSVBPHG-UHFFFAOYSA-N 0 0 454.596 5.130 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)c1 ZINC000010120194 555632346 /nfs/dbraw/zinc/63/23/46/555632346.db2.gz BKOUGWUPTFQMMO-UHFFFAOYSA-N 0 0 476.529 5.952 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc(OC)c1OC ZINC000010120171 555632379 /nfs/dbraw/zinc/63/23/79/555632379.db2.gz OXHOUMYDUFDHDP-UHFFFAOYSA-N 0 0 473.312 6.080 40 0 JKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000010120114 555632417 /nfs/dbraw/zinc/63/24/17/555632417.db2.gz YKCLSNZKSPRGGA-UHFFFAOYSA-N 0 0 463.320 7.238 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)cc(OC)c1OC ZINC000010120158 555632438 /nfs/dbraw/zinc/63/24/38/555632438.db2.gz UVEKALLRCFEAOJ-UHFFFAOYSA-N 0 0 452.894 5.735 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)c4cccc5ccccc54)ccc3o2)cc(OC)c1OC ZINC000010120234 555632545 /nfs/dbraw/zinc/63/25/45/555632545.db2.gz AKALBIBITGWCNP-UHFFFAOYSA-N 0 0 454.482 5.926 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc(OC)c1OC ZINC000010120229 555632560 /nfs/dbraw/zinc/63/25/60/555632560.db2.gz GZUFSHRXYYSDRO-UHFFFAOYSA-N 0 0 452.894 5.355 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)cc(OC)c1OC ZINC000010120225 555632596 /nfs/dbraw/zinc/63/25/96/555632596.db2.gz CJGORRDJRXCOBY-UHFFFAOYSA-N 0 0 494.956 6.641 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)c4cccc(OCC(C)C)c4)ccc3o2)cc(OC)c1OC ZINC000010120257 555632598 /nfs/dbraw/zinc/63/25/98/555632598.db2.gz DASXWQCGAHKTAE-UHFFFAOYSA-N 0 0 476.529 5.808 40 0 JKABRN CCOc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1Br ZINC000010120337 555632855 /nfs/dbraw/zinc/63/28/55/555632855.db2.gz MJFRCRDSHXLDEN-UHFFFAOYSA-N 0 0 479.374 6.203 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)cc(OC)c1OC ZINC000010120291 555632874 /nfs/dbraw/zinc/63/28/74/555632874.db2.gz SATFMDWXUNBYCK-UHFFFAOYSA-N 0 0 476.573 6.066 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)cc(OC)c1OC ZINC000010120281 555632893 /nfs/dbraw/zinc/63/28/93/555632893.db2.gz RVURNKXVHXRUGB-UHFFFAOYSA-N 0 0 468.893 5.192 40 0 JKABRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccccc1Cl ZINC000013844239 555632928 /nfs/dbraw/zinc/63/29/28/555632928.db2.gz DMZLJTXRNKTJJF-UHFFFAOYSA-N 0 0 457.770 5.085 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(OCc5ccccc5)c4)cc3)oc2cc1C ZINC000010120343 555632962 /nfs/dbraw/zinc/63/29/62/555632962.db2.gz HHIUIKRMZHFXFA-UHFFFAOYSA-N 0 0 462.549 6.621 40 0 JKABRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000013844243 555633004 /nfs/dbraw/zinc/63/30/04/555633004.db2.gz BGTCOTYMGLCPTR-UHFFFAOYSA-N 0 0 492.215 5.739 40 0 JKABRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013844252 555633016 /nfs/dbraw/zinc/63/30/16/555633016.db2.gz ATININWEUCUMKO-UHFFFAOYSA-N 0 0 492.215 5.739 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)COc4c(C)cc(Cl)cc4Cl)cc3)oc2cc1C ZINC000010120459 555633092 /nfs/dbraw/zinc/63/30/92/555633092.db2.gz HPPHVAHARHEIRP-UHFFFAOYSA-N 0 0 469.368 6.422 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)COc4ccc(C5CCCCC5)cc4)cc3)oc2cc1C ZINC000010120440 555633131 /nfs/dbraw/zinc/63/31/31/555633131.db2.gz YPAKWVOIMVDCIR-UHFFFAOYSA-N 0 0 468.597 6.855 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3)oc2cc1C ZINC000010120452 555633135 /nfs/dbraw/zinc/63/31/35/555633135.db2.gz JZZRCXSCZMLUEW-MRXNPFEDSA-N 0 0 469.368 6.502 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)COc4ccc(Cl)cc4Cl)cc3)oc2cc1C ZINC000010120451 555633162 /nfs/dbraw/zinc/63/31/62/555633162.db2.gz BYFHHSWGJARIPZ-UHFFFAOYSA-N 0 0 455.341 6.114 40 0 JKABRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000013844361 555633130 /nfs/dbraw/zinc/63/31/30/555633130.db2.gz VNQNKWJGANWRHQ-UHFFFAOYSA-N 0 0 492.215 5.739 40 0 JKABRN Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N(Cc2cccnc2)Cc2ccccc2Cl)cc1 ZINC000020098695 555633170 /nfs/dbraw/zinc/63/31/70/555633170.db2.gz VCLHPUKCCWLANO-MHZLTWQESA-N 0 0 487.051 6.327 40 0 JKABRN Clc1ccccc1CN(Cc1ccccc1)[C@H](c1cccs1)c1nnnn1C1CCCC1 ZINC000020098668 555633207 /nfs/dbraw/zinc/63/32/07/555633207.db2.gz MFROXXGQCVJDFE-XMMPIXPASA-N 0 0 464.038 6.295 40 0 JKABRN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@@H](C)Oc1ccccc1 ZINC000013849882 555634252 /nfs/dbraw/zinc/63/42/52/555634252.db2.gz TXZDTIXOVKSCAL-MRXNPFEDSA-N 0 0 465.604 5.292 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850059 555634258 /nfs/dbraw/zinc/63/42/58/555634258.db2.gz DIKREMKWZYLCRQ-CYBMUJFWSA-N 0 0 451.379 5.476 40 0 JKABRN CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1[C@H](C)Oc1ccccc1 ZINC000013850113 555634270 /nfs/dbraw/zinc/63/42/70/555634270.db2.gz ZQKDDAKIRURFJN-ZDUSSCGKSA-N 0 0 484.931 5.841 40 0 JKABRN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@H](C)Oc1ccccc1 ZINC000013849884 555634286 /nfs/dbraw/zinc/63/42/86/555634286.db2.gz TXZDTIXOVKSCAL-INIZCTEOSA-N 0 0 465.604 5.292 40 0 JKABRN O=C(Nc1cc(Cl)ccc1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128689 555634403 /nfs/dbraw/zinc/63/44/03/555634403.db2.gz ZKXGOGBDFJGBSQ-HXUWFJFHSA-N 0 0 483.804 5.175 40 0 JKABRN O=C(Nc1cccc(Cl)c1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128672 555634425 /nfs/dbraw/zinc/63/44/25/555634425.db2.gz YPXSQABXXRKDBG-IBGZPJMESA-N 0 0 483.804 5.175 40 0 JKABRN O=C(Nc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128693 555634458 /nfs/dbraw/zinc/63/44/58/555634458.db2.gz DLVQVAXITJYIAR-IBGZPJMESA-N 0 0 483.804 5.175 40 0 JKABRN O=C(Nc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128694 555634468 /nfs/dbraw/zinc/63/44/68/555634468.db2.gz DLVQVAXITJYIAR-LJQANCHMSA-N 0 0 483.804 5.175 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2cc(C)ccc2C)cc1 ZINC000020104163 555636275 /nfs/dbraw/zinc/63/62/75/555636275.db2.gz WZCYRQXBLNIHSE-VWLOTQADSA-N 0 0 462.615 5.001 40 0 JKABRN O=C(Nc1ccc(Br)cc1F)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020104501 555636760 /nfs/dbraw/zinc/63/67/60/555636760.db2.gz SLSDBANFSGEIBL-UHFFFAOYSA-N 0 0 483.746 5.295 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2Cl)n1C ZINC000013870649 555636981 /nfs/dbraw/zinc/63/69/81/555636981.db2.gz WRNMNGPCBDMLIV-ZDUSSCGKSA-N 0 0 451.379 5.301 40 0 JKABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000010146562 555637044 /nfs/dbraw/zinc/63/70/44/555637044.db2.gz BEEPFKUIERHHNG-AREMUKBSSA-N 0 0 486.593 5.316 40 0 JKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)cc1 ZINC000013871284 555637312 /nfs/dbraw/zinc/63/73/12/555637312.db2.gz NWFNWZTYPWKESY-ZDUSSCGKSA-N 0 0 465.406 5.555 40 0 JKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)cc1 ZINC000013871279 555637333 /nfs/dbraw/zinc/63/73/33/555637333.db2.gz KYBWHFLERBWFNP-CYBMUJFWSA-N 0 0 465.406 5.555 40 0 JKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2C)cc1 ZINC000013871282 555637364 /nfs/dbraw/zinc/63/73/64/555637364.db2.gz NJDAICKURGNZQH-ZDUSSCGKSA-N 0 0 465.406 5.555 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3Cl)n2CC)cc1 ZINC000013870875 555637377 /nfs/dbraw/zinc/63/73/77/555637377.db2.gz BMARBUADQCZFBW-HNNXBMFYSA-N 0 0 460.987 5.221 40 0 JKABRN CC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000010153239 555637605 /nfs/dbraw/zinc/63/76/05/555637605.db2.gz ZIFQDFPBHYWHJS-XDHUDOTRSA-N 0 0 454.979 5.422 40 0 JKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)cc1 ZINC000013871329 555637579 /nfs/dbraw/zinc/63/75/79/555637579.db2.gz PKSVJXJDVOZNDI-CQSZACIVSA-N 0 0 464.513 5.267 40 0 JKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc4ccccc43)n2CC)cc1 ZINC000013871599 555637913 /nfs/dbraw/zinc/63/79/13/555637913.db2.gz XVIPFHDTMYDAIT-GOSISDBHSA-N 0 0 460.603 5.884 40 0 JKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2CC)cc1 ZINC000013871660 555637997 /nfs/dbraw/zinc/63/79/97/555637997.db2.gz NNXJJWVTHTUMDX-AWEZNQCLSA-N 0 0 462.978 5.524 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)c(C)c1 ZINC000013879460 555638000 /nfs/dbraw/zinc/63/80/00/555638000.db2.gz MWXASGKWSSGCOG-UHFFFAOYSA-N 0 0 451.379 5.049 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2C)c(C)c1 ZINC000013879506 555638147 /nfs/dbraw/zinc/63/81/47/555638147.db2.gz YNKGKXCWEBLKMT-UHFFFAOYSA-N 0 0 485.824 5.702 40 0 JKABRN 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BKVSLLVENBBEDH-RMKNXTFCSA-N 0 0 453.174 5.996 40 0 JKABRN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1Br ZINC000014272835 555771370 /nfs/dbraw/zinc/77/13/70/555771370.db2.gz YMWXFOKBVJCWPR-UHFFFAOYSA-N 0 0 469.314 5.282 40 0 JKABRN Cc1cc(Br)cc(C)c1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000014272863 555771395 /nfs/dbraw/zinc/77/13/95/555771395.db2.gz CVGNUFPVSOYGCJ-GQCTYLIASA-N 0 0 465.174 7.285 40 0 JKABRN O=C(Nc1ccc(I)cc1F)c1cccc2c(Br)cccc12 ZINC000014272882 555771401 /nfs/dbraw/zinc/77/14/01/555771401.db2.gz PEWXWFVDJAHZNU-UHFFFAOYSA-N 0 0 470.079 5.598 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000014272841 555771446 /nfs/dbraw/zinc/77/14/46/555771446.db2.gz NJDYSXWSBZMDJF-UHFFFAOYSA-N 0 0 458.537 5.933 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Br)cc1F ZINC000014272898 555771549 /nfs/dbraw/zinc/77/15/49/555771549.db2.gz ZKQBKUJZWHLPKC-XBXARRHUSA-N 0 0 455.110 6.807 40 0 JKABRN O=C(Nc1ccc(I)cc1F)c1cc(Br)ccc1Cl ZINC000014272892 555771576 /nfs/dbraw/zinc/77/15/76/555771576.db2.gz VFFYYPFNTOKEDU-UHFFFAOYSA-N 0 0 454.464 5.099 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000014272925 555771580 /nfs/dbraw/zinc/77/15/80/555771580.db2.gz LQILKORNKXPBPA-UHFFFAOYSA-N 0 0 458.769 6.238 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1Cl ZINC000014272965 555771624 /nfs/dbraw/zinc/77/16/24/555771624.db2.gz FIWHECLEYJTDOI-UHFFFAOYSA-N 0 0 461.094 6.953 40 0 JKABRN COc1cc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)ccc1NC(=O)C(C)C ZINC000014273045 555771877 /nfs/dbraw/zinc/77/18/77/555771877.db2.gz OXTHPDGJCITCGC-RMKNXTFCSA-N 0 0 473.356 6.508 40 0 JKABRN COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000014273021 555771880 /nfs/dbraw/zinc/77/18/80/555771880.db2.gz HMOAGOLNZABIKO-UHFFFAOYSA-N 0 0 466.965 5.916 40 0 JKABRN COc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1NC(=O)c1cccs1 ZINC000014272994 555771902 /nfs/dbraw/zinc/77/19/02/555771902.db2.gz KUGWIGMHBHVUJU-UHFFFAOYSA-N 0 0 451.331 5.333 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000014272990 555771939 /nfs/dbraw/zinc/77/19/39/555771939.db2.gz SVZAOGZVXIOADX-CSKARUKUSA-N 0 0 467.308 6.751 40 0 JKABRN COc1cc(NC(=O)COc2ccc(Cl)c(C)c2)ccc1NC(=O)c1ccccc1Cl ZINC000014273032 555771968 /nfs/dbraw/zinc/77/19/68/555771968.db2.gz UXGCJLRIIFEYSG-UHFFFAOYSA-N 0 0 459.329 5.580 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000014273121 555772129 /nfs/dbraw/zinc/77/21/29/555772129.db2.gz AKDZTTNWVAQNHX-UHFFFAOYSA-N 0 0 462.977 6.658 40 0 JKABRN CCCCC(=O)Nc1cccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 ZINC000014273100 555772144 /nfs/dbraw/zinc/77/21/44/555772144.db2.gz MYRVHCKUYDEZMC-UHFFFAOYSA-N 0 0 457.785 6.410 40 0 JKABRN CCCC(=O)Nc1cccc(NC(=O)c2cc(Br)cc(Br)c2OC)c1 ZINC000014273090 555772159 /nfs/dbraw/zinc/77/21/59/555772159.db2.gz FKUOWXWUFYFDIV-UHFFFAOYSA-N 0 0 470.161 5.211 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000014273119 555772163 /nfs/dbraw/zinc/77/21/63/555772163.db2.gz UZKIYYCLUVEBTR-UHFFFAOYSA-N 0 0 451.737 6.898 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2N2CCC(C)CC2)c1Cl ZINC000014273125 555772168 /nfs/dbraw/zinc/77/21/68/555772168.db2.gz SOCVXBVQNNGFAR-UHFFFAOYSA-N 0 0 455.813 6.517 40 0 JKABRN COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1-c1cc2ccccc2oc1=O ZINC000014273198 555772451 /nfs/dbraw/zinc/77/24/51/555772451.db2.gz QRCZGVBKDNCMRM-UHFFFAOYSA-N 0 0 470.308 6.036 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1 ZINC000014273316 555772707 /nfs/dbraw/zinc/77/27/07/555772707.db2.gz KVZRHYKJJNMILF-LJQANCHMSA-N 0 0 462.615 5.829 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000014273362 555773044 /nfs/dbraw/zinc/77/30/44/555773044.db2.gz FTUNQIKCIHUGKS-LICLKQGHSA-N 0 0 453.586 5.424 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2)CC1 ZINC000014273390 555773047 /nfs/dbraw/zinc/77/30/47/555773047.db2.gz CXGXNQZEXJIELY-UHFFFAOYSA-N 0 0 451.954 5.157 40 0 JKABRN O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 ZINC000014273369 555773066 /nfs/dbraw/zinc/77/30/66/555773066.db2.gz SZLNCAADNLUBLF-UHFFFAOYSA-N 0 0 469.972 5.708 40 0 JKABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000014273405 555773074 /nfs/dbraw/zinc/77/30/74/555773074.db2.gz HQITZCGRQPDTKB-UHFFFAOYSA-N 0 0 456.373 5.458 40 0 JKABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000014273462 555773281 /nfs/dbraw/zinc/77/32/81/555773281.db2.gz YEWAVNUTZDVLMB-UHFFFAOYSA-N 0 0 454.785 5.348 40 0 JKABRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2Cl)CC1 ZINC000014273533 555773627 /nfs/dbraw/zinc/77/36/27/555773627.db2.gz DATXAORHIYEQOZ-UHFFFAOYSA-N 0 0 458.345 5.174 40 0 JKABRN CCc1ccc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014273634 555773905 /nfs/dbraw/zinc/77/39/05/555773905.db2.gz RTXMSODACPWFGU-UHFFFAOYSA-N 0 0 464.009 5.242 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014273621 555773911 /nfs/dbraw/zinc/77/39/11/555773911.db2.gz CIXOVIOADMETPV-UHFFFAOYSA-N 0 0 462.037 6.212 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000014273586 555774039 /nfs/dbraw/zinc/77/40/39/555774039.db2.gz QETVNXQXPCLLTA-BJMVGYQFSA-N 0 0 470.356 5.201 40 0 JKABRN CN1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2Cl)CC1 ZINC000014273657 555774260 /nfs/dbraw/zinc/77/42/60/555774260.db2.gz OBVYTFMJWCUYQF-UHFFFAOYSA-N 0 0 464.780 5.911 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1Cl ZINC000014273700 555774281 /nfs/dbraw/zinc/77/42/81/555774281.db2.gz LMHAJSPDFCOKDW-ZDUSSCGKSA-N 0 0 455.813 6.660 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c1Cl ZINC000014273698 555774286 /nfs/dbraw/zinc/77/42/86/555774286.db2.gz LMHAJSPDFCOKDW-CYBMUJFWSA-N 0 0 455.813 6.660 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1Br ZINC000014273678 555774337 /nfs/dbraw/zinc/77/43/37/555774337.db2.gz NFBZQMLJSFOEGC-UHFFFAOYSA-N 0 0 451.792 5.990 40 0 JKABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000014273796 555774583 /nfs/dbraw/zinc/77/45/83/555774583.db2.gz WINNPDOAJATNFA-UHFFFAOYSA-N 0 0 477.815 5.160 40 0 JKABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccccc1Br ZINC000014273823 555774817 /nfs/dbraw/zinc/77/48/17/555774817.db2.gz WLPQKCUAWQZDQY-UHFFFAOYSA-N 0 0 493.382 5.658 40 0 JKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000014273923 555775107 /nfs/dbraw/zinc/77/51/07/555775107.db2.gz HLHAZYSREJHYLY-UHFFFAOYSA-N 0 0 479.945 5.474 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nn4c(CC)nnc4s3)cc2C)cc1 ZINC000014273904 555775137 /nfs/dbraw/zinc/77/51/37/555775137.db2.gz CZFVFKLZRNXGCA-UHFFFAOYSA-N 0 0 494.646 5.029 40 0 JKABRN Cc1cc(Br)ccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000014274056 555775614 /nfs/dbraw/zinc/77/56/14/555775614.db2.gz QOEASVVWESHGBA-UHFFFAOYSA-N 0 0 478.209 5.800 40 0 JKABRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1cccc2c(Br)cccc12 ZINC000014274058 555775682 /nfs/dbraw/zinc/77/56/82/555775682.db2.gz OROXJYASVYAOBU-UHFFFAOYSA-N 0 0 488.621 6.689 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccccc3Cl)cc2)cc1 ZINC000020330642 555775811 /nfs/dbraw/zinc/77/58/11/555775811.db2.gz CSDIMHCZZUPTSU-JOCHJYFZSA-N 0 0 488.993 5.336 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(OCc2ccccc2)cc1 ZINC000014274136 555775923 /nfs/dbraw/zinc/77/59/23/555775923.db2.gz AGFKVZYNAJJHKX-UHFFFAOYSA-N 0 0 480.549 5.596 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000014274140 555775929 /nfs/dbraw/zinc/77/59/29/555775929.db2.gz HFOCFDTWTUHAJF-UHFFFAOYSA-N 0 0 480.549 5.596 40 0 JKABRN C[C@@H](NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000014274131 555775953 /nfs/dbraw/zinc/77/59/53/555775953.db2.gz SVVISQXJMJUXNO-LYTYMJBXSA-N 0 0 477.457 6.463 40 0 JKABRN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 ZINC000014274138 555775963 /nfs/dbraw/zinc/77/59/63/555775963.db2.gz FTFJHDRKRAAYLZ-UHFFFAOYSA-N 0 0 494.638 5.509 40 0 JKABRN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000014274156 555775994 /nfs/dbraw/zinc/77/59/94/555775994.db2.gz QLWXJILYBRYHHA-UHFFFAOYSA-N 0 0 493.588 6.509 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000014274311 555776122 /nfs/dbraw/zinc/77/61/22/555776122.db2.gz DBTFQRLROLSJKL-UHFFFAOYSA-N 0 0 496.583 5.140 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc(OCc2ccccc2)c1 ZINC000014274268 555776189 /nfs/dbraw/zinc/77/61/89/555776189.db2.gz XHPMYAFLYULWEM-UHFFFAOYSA-N 0 0 497.551 6.340 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(OCc5ccccc5)c4)ccc3o2)cc1 ZINC000014274274 555776229 /nfs/dbraw/zinc/77/62/29/555776229.db2.gz FENFPWNNKRUBRX-UHFFFAOYSA-N 0 0 493.588 6.509 40 0 JKABRN O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(OCc2ccccc2)c1 ZINC000014274252 555776234 /nfs/dbraw/zinc/77/62/34/555776234.db2.gz ARKYKWJKRCNJKG-UHFFFAOYSA-N 0 0 498.448 6.430 40 0 JKABRN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1cccc(OCc2ccccc2)c1 ZINC000014274284 555776256 /nfs/dbraw/zinc/77/62/56/555776256.db2.gz SQAAJFOBGFKXPY-UHFFFAOYSA-N 0 0 495.629 6.669 40 0 JKABRN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)cc1 ZINC000014274233 555776259 /nfs/dbraw/zinc/77/62/59/555776259.db2.gz JXTDKSDYHZOYIZ-UHFFFAOYSA-N 0 0 493.592 5.435 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000014274505 555776731 /nfs/dbraw/zinc/77/67/31/555776731.db2.gz LCXDHMOTCSBXIU-UHFFFAOYSA-N 0 0 488.396 5.690 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C ZINC000014274446 555776758 /nfs/dbraw/zinc/77/67/58/555776758.db2.gz FMXCZWBHZFBKIA-UHFFFAOYSA-N 0 0 475.570 5.564 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cccc(Br)c1 ZINC000014274552 555777075 /nfs/dbraw/zinc/77/70/75/555777075.db2.gz BZOGWIWAQMBXPP-RMKNXTFCSA-N 0 0 496.213 6.542 40 0 JKABRN CC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000014274538 555777090 /nfs/dbraw/zinc/77/70/90/555777090.db2.gz QLNUEANVTKIHOS-DHZHZOJOSA-N 0 0 474.369 5.738 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000014274510 555777129 /nfs/dbraw/zinc/77/71/29/555777129.db2.gz QYBCEEVLTHYNSG-UHFFFAOYSA-N 0 0 496.386 5.701 40 0 JKABRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc2c(Cl)cccc12 ZINC000014274627 555777389 /nfs/dbraw/zinc/77/73/89/555777389.db2.gz YSNDIVVBYPBVBI-UHFFFAOYSA-N 0 0 490.009 6.602 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000014274580 555777402 /nfs/dbraw/zinc/77/74/02/555777402.db2.gz FWUCJTHEFVYDGS-RMKNXTFCSA-N 0 0 485.314 6.799 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000020342443 555777526 /nfs/dbraw/zinc/77/75/26/555777526.db2.gz HQPPDVBQEQPVCQ-WDBUWWRISA-N 0 0 465.380 7.967 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cccc5ccccc54)cc3)nc2c1 ZINC000020342438 555777528 /nfs/dbraw/zinc/77/75/28/555777528.db2.gz 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COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)c(F)c1F ZINC000014274870 555778164 /nfs/dbraw/zinc/77/81/64/555778164.db2.gz LLJZYFHQSAIAKL-UHFFFAOYSA-N 0 0 489.450 5.495 40 0 JKABRN COc1c(C(=O)NC(=S)Nc2cccc3cc(O)ccc32)cc2ccccc2c1Br ZINC000014274850 555778197 /nfs/dbraw/zinc/77/81/97/555778197.db2.gz HZTFMBQIOOZFTB-UHFFFAOYSA-N 0 0 481.371 5.597 40 0 JKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)c(F)c1F ZINC000014274858 555778227 /nfs/dbraw/zinc/77/82/27/555778227.db2.gz PDNBYQDDVRTZRF-UHFFFAOYSA-N 0 0 491.491 5.655 40 0 JKABRN Cc1c2oc(-c3ccc(Cl)c(Cl)c3)nc2c(Br)c(N)c1Br ZINC000020343586 555778294 /nfs/dbraw/zinc/77/82/94/555778294.db2.gz HGYVHFFZKHPPAT-UHFFFAOYSA-N 0 0 450.945 6.217 40 0 JKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)c(F)c1F ZINC000014274927 555778656 /nfs/dbraw/zinc/77/86/56/555778656.db2.gz FGBFNFLPMXWBGJ-UHFFFAOYSA-N 0 0 475.895 5.022 40 0 JKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c(F)c1F ZINC000014274914 555778670 /nfs/dbraw/zinc/77/86/70/555778670.db2.gz OIENXDDXBJLKSE-UHFFFAOYSA-N 0 0 493.413 5.326 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)cc3O)oc2c1 ZINC000014275021 555779053 /nfs/dbraw/zinc/77/90/53/555779053.db2.gz DXFFJIVUXFUXLD-UHFFFAOYSA-N 0 0 475.570 5.670 40 0 JKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(Br)c4)cc3O)nc2c1 ZINC000014275069 555779286 /nfs/dbraw/zinc/77/92/86/555779286.db2.gz XYTOJAVRLKIULG-UHFFFAOYSA-N 0 0 496.386 5.652 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c(O)c2)cc1 ZINC000014275077 555779326 /nfs/dbraw/zinc/77/93/26/555779326.db2.gz SVOQMIXEVVRAPZ-UHFFFAOYSA-N 0 0 489.597 6.069 40 0 JKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)c1 ZINC000014275094 555779404 /nfs/dbraw/zinc/77/94/04/555779404.db2.gz ZGOALWWNYNARJV-UHFFFAOYSA-N 0 0 495.988 6.015 40 0 JKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000014275150 555779730 /nfs/dbraw/zinc/77/97/30/555779730.db2.gz IMAYGWUCKUWRBG-UHFFFAOYSA-N 0 0 481.961 5.606 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Br)cc4)ccc3O)oc2c1 ZINC000014275118 555779813 /nfs/dbraw/zinc/77/98/13/555779813.db2.gz SZUGEIRCTGSJQI-UHFFFAOYSA-N 0 0 482.359 5.398 40 0 JKABRN Cc1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cccc1-c1nc2ncccc2o1 ZINC000014275270 555780339 /nfs/dbraw/zinc/78/03/39/555780339.db2.gz IOTIKKAHGLQPLS-UHFFFAOYSA-N 0 0 494.576 5.904 40 0 JKABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000014275334 555780376 /nfs/dbraw/zinc/78/03/76/555780376.db2.gz XUZRFICODWODIV-ZHACJKMWSA-N 0 0 484.433 6.797 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000014275361 555780383 /nfs/dbraw/zinc/78/03/83/555780383.db2.gz ANQMZGCDQGWWLD-UHFFFAOYSA-N 0 0 475.639 6.577 40 0 JKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccc(Br)c1 ZINC000014275357 555780415 /nfs/dbraw/zinc/78/04/15/555780415.db2.gz NDBMWPGYRFBNNN-UHFFFAOYSA-N 0 0 482.428 6.161 40 0 JKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000014275433 555780635 /nfs/dbraw/zinc/78/06/35/555780635.db2.gz KNRKWEXOHWXXBN-UHFFFAOYSA-N 0 0 482.996 6.677 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)c1 ZINC000020352819 555780618 /nfs/dbraw/zinc/78/06/18/555780618.db2.gz KRVRFSJEEMIECY-UHFFFAOYSA-N 0 0 487.581 5.991 40 0 JKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000014275468 555780782 /nfs/dbraw/zinc/78/07/82/555780782.db2.gz LQATXZZPTGAQRQ-UHFFFAOYSA-N 0 0 494.576 5.904 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)cc3)nc2c1 ZINC000020353292 555780822 /nfs/dbraw/zinc/78/08/22/555780822.db2.gz ZBWWWIRVKYDSBD-GOSISDBHSA-N 0 0 487.625 6.922 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1Br ZINC000014275453 555780891 /nfs/dbraw/zinc/78/08/91/555780891.db2.gz VDMNELGJMJLGCK-UHFFFAOYSA-N 0 0 497.374 5.096 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)ccc3Cl)oc2c1 ZINC000014275479 555780927 /nfs/dbraw/zinc/78/09/27/555780927.db2.gz UDOCBAQWYGVQEN-UHFFFAOYSA-N 0 0 494.016 6.618 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(Cl)ccc4OC)cc3)nc2c1 ZINC000020353290 555780938 /nfs/dbraw/zinc/78/09/38/555780938.db2.gz NRVNEBNCOYVVEN-HNNXBMFYSA-N 0 0 494.016 6.797 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)cc3)nc2c1 ZINC000020353294 555780972 /nfs/dbraw/zinc/78/09/72/555780972.db2.gz ZBWWWIRVKYDSBD-SFHVURJKSA-N 0 0 487.625 6.922 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1 ZINC000020353284 555780974 /nfs/dbraw/zinc/78/09/74/555780974.db2.gz FYWZQACRTWWVOL-SFHVURJKSA-N 0 0 487.625 6.924 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)COc1ccccc1 ZINC000014275550 555781145 /nfs/dbraw/zinc/78/11/45/555781145.db2.gz PQJAJXLGDQXXMR-UHFFFAOYSA-N 0 0 475.570 5.519 40 0 JKABRN Cc1nc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1I ZINC000014275610 555781173 /nfs/dbraw/zinc/78/11/73/555781173.db2.gz ZTUNLBPNKUSCLS-UHFFFAOYSA-N 0 0 497.745 5.035 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000014275546 555781194 /nfs/dbraw/zinc/78/11/94/555781194.db2.gz UECHJSHSYQBFFE-UHFFFAOYSA-N 0 0 485.565 6.500 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000014275726 555781387 /nfs/dbraw/zinc/78/13/87/555781387.db2.gz DBPOYFOPJFGHGX-SFQUDFHCSA-N 0 0 491.616 7.298 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000014275722 555781494 /nfs/dbraw/zinc/78/14/94/555781494.db2.gz ZRSLMKITBSFYSY-UHFFFAOYSA-N 0 0 492.387 7.082 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Br)cc4)cc3n2)cc1 ZINC000014275767 555781670 /nfs/dbraw/zinc/78/16/70/555781670.db2.gz VOXSZOZYNIYTQO-UHFFFAOYSA-N 0 0 494.418 5.181 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1Cl ZINC000014275806 555781746 /nfs/dbraw/zinc/78/17/46/555781746.db2.gz GTETTYCMCNOEES-UHFFFAOYSA-N 0 0 494.020 5.641 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(Br)c4)cc3n2)cc1 ZINC000014275766 555781801 /nfs/dbraw/zinc/78/18/01/555781801.db2.gz DZMGHJOQLSEFCQ-UHFFFAOYSA-N 0 0 494.418 5.181 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccc(OC)cc1 ZINC000011452236 555781840 /nfs/dbraw/zinc/78/18/40/555781840.db2.gz MZTJZEJJZPZVDO-UHFFFAOYSA-N 0 0 481.803 5.120 40 0 JKABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 ZINC000014275829 555782017 /nfs/dbraw/zinc/78/20/17/555782017.db2.gz BUGUSFPOLUYGQX-VGOFMYFVSA-N 0 0 485.613 5.387 40 0 JKABRN CCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000014275967 555782308 /nfs/dbraw/zinc/78/23/08/555782308.db2.gz PYFQSBGKUYNQIF-UHFFFAOYSA-N 0 0 482.387 5.015 40 0 JKABRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000014275930 555782338 /nfs/dbraw/zinc/78/23/38/555782338.db2.gz HUKHQXJLICGSPE-UHFFFAOYSA-N 0 0 488.165 6.282 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1Br ZINC000014276002 555782527 /nfs/dbraw/zinc/78/25/27/555782527.db2.gz JOBKWNQOOJVSBL-UHFFFAOYSA-N 0 0 478.593 5.000 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000014275993 555782572 /nfs/dbraw/zinc/78/25/72/555782572.db2.gz KNQFWKHKAIZNTH-JXMROGBWSA-N 0 0 485.314 6.799 40 0 JKABRN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000014276117 555782850 /nfs/dbraw/zinc/78/28/50/555782850.db2.gz KIOFMIVIGQFOHY-UHFFFAOYSA-N 0 0 476.385 5.975 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2ccccc2Cl)ccc1NC(=O)c1ccccc1Cl ZINC000014276077 555782928 /nfs/dbraw/zinc/78/29/28/555782928.db2.gz IYYXAXDWLVWJHW-UHFFFAOYSA-N 0 0 474.369 5.381 40 0 JKABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1N1CCC(C)CC1 ZINC000014276255 555783044 /nfs/dbraw/zinc/78/30/44/555783044.db2.gz JHYKEVHAKHONMA-UHFFFAOYSA-N 0 0 476.440 5.129 40 0 JKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000014276182 555783070 /nfs/dbraw/zinc/78/30/70/555783070.db2.gz RXNIJHWWWOUWCJ-UHFFFAOYSA-N 0 0 487.581 5.847 40 0 JKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c1 ZINC000014276208 555783082 /nfs/dbraw/zinc/78/30/82/555783082.db2.gz GRFKSRGZZRPCHL-UHFFFAOYSA-N 0 0 487.622 5.138 40 0 JKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000014276185 555783098 /nfs/dbraw/zinc/78/30/98/555783098.db2.gz NHIJJFUSIWYGGB-UHFFFAOYSA-N 0 0 487.581 5.847 40 0 JKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)CC1 ZINC000014276295 555783430 /nfs/dbraw/zinc/78/34/30/555783430.db2.gz WTPSOZGLSHPMRV-UHFFFAOYSA-N 0 0 488.440 6.617 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)ccc1-c1cc2ccccc2oc1=O ZINC000014276338 555783439 /nfs/dbraw/zinc/78/34/39/555783439.db2.gz KOCWLUNANWVDGA-UHFFFAOYSA-N 0 0 478.957 5.557 40 0 JKABRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014276265 555783449 /nfs/dbraw/zinc/78/34/49/555783449.db2.gz HHNUGJBFHKXAKZ-UHFFFAOYSA-N 0 0 474.413 6.371 40 0 JKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)c3)nn12 ZINC000014276398 555783608 /nfs/dbraw/zinc/78/36/08/555783608.db2.gz PMMWOSDVSBYZHC-UHFFFAOYSA-N 0 0 484.610 5.263 40 0 JKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)c3)nn12 ZINC000014276395 555783690 /nfs/dbraw/zinc/78/36/90/555783690.db2.gz WBBXDQABSGKTON-UHFFFAOYSA-N 0 0 498.637 5.115 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)o2)cc1Cl ZINC000014276567 555784012 /nfs/dbraw/zinc/78/40/12/555784012.db2.gz WKSHZYKPKRBRNW-LLVKDONJSA-N 0 0 488.034 5.320 40 0 JKABRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1cccc2ccccc21 ZINC000014277144 555785107 /nfs/dbraw/zinc/78/51/07/555785107.db2.gz AAEARRDUURNZLM-UHFFFAOYSA-N 0 0 498.627 5.428 40 0 JKABRN CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc(OCC)c1OCC ZINC000014277315 555785682 /nfs/dbraw/zinc/78/56/82/555785682.db2.gz ANRDDEBCWOLRDL-GOSISDBHSA-N 0 0 485.650 5.388 40 0 JKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000014277343 555785714 /nfs/dbraw/zinc/78/57/14/555785714.db2.gz SFZBCOJZOXRGOM-ZWFBASDOSA-N 0 0 480.033 6.505 40 0 JKABRN 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555789793 /nfs/dbraw/zinc/78/97/93/555789793.db2.gz CIBJWYIUUSAZSN-CYBMUJFWSA-N 0 0 487.339 6.225 40 0 JKABRN COc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000014278989 555789934 /nfs/dbraw/zinc/78/99/34/555789934.db2.gz QMFBDTULMVNBPS-UHFFFAOYSA-N 0 0 483.564 6.534 40 0 JKABRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014279003 555789955 /nfs/dbraw/zinc/78/99/55/555789955.db2.gz FOJQNZFZFCFYRQ-UHFFFAOYSA-N 0 0 476.315 7.279 40 0 JKABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000014278926 555789964 /nfs/dbraw/zinc/78/99/64/555789964.db2.gz KTUGLNWVTFLEBL-UHFFFAOYSA-N 0 0 485.289 6.361 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000014278918 555789972 /nfs/dbraw/zinc/78/99/72/555789972.db2.gz WCHYYXWRDKNFJM-UHFFFAOYSA-N 0 0 475.770 5.353 40 0 JKABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014278924 555789988 /nfs/dbraw/zinc/78/99/88/555789988.db2.gz XPTUYRPCFGYRDZ-UHFFFAOYSA-N 0 0 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ZINC000014279089 555790257 /nfs/dbraw/zinc/79/02/57/555790257.db2.gz NTAHQBVHCLLCIZ-LBPRGKRZSA-N 0 0 491.440 6.817 40 0 JKABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000020412601 555790377 /nfs/dbraw/zinc/79/03/77/555790377.db2.gz SZTKFEOBLGVDCD-HNNXBMFYSA-N 0 0 498.838 5.357 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000014279211 555790500 /nfs/dbraw/zinc/79/05/00/555790500.db2.gz QWNVSSRJXPXCIL-UHFFFAOYSA-N 0 0 486.399 5.810 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1Cl ZINC000014279173 555790569 /nfs/dbraw/zinc/79/05/69/555790569.db2.gz JYHFYTXMVMFSMN-UHFFFAOYSA-N 0 0 498.410 5.282 40 0 JKABRN CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)cc2Cl)CC1 ZINC000014279262 555790763 /nfs/dbraw/zinc/79/07/63/555790763.db2.gz YZVSBWBCSHZMSO-QPJJXVBHSA-N 0 0 496.822 5.366 40 0 JKABRN CCCC(=O)N1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000014279283 555790733 /nfs/dbraw/zinc/79/07/33/555790733.db2.gz GXWFXAQVLUZVJY-UHFFFAOYSA-N 0 0 476.020 5.559 40 0 JKABRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc1Cl ZINC000014279394 555791116 /nfs/dbraw/zinc/79/11/16/555791116.db2.gz SIXHCZQSDCBARZ-UHFFFAOYSA-N 0 0 484.383 5.217 40 0 JKABRN CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 ZINC000014279362 555791122 /nfs/dbraw/zinc/79/11/22/555791122.db2.gz XFQUDRDVNXAGEE-DHZHZOJOSA-N 0 0 484.383 5.574 40 0 JKABRN CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2)CC1 ZINC000014279321 555791161 /nfs/dbraw/zinc/79/11/61/555791161.db2.gz IERDHOAWZTYLMI-VQHVLOKHSA-N 0 0 484.383 5.574 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020461239 555791298 /nfs/dbraw/zinc/79/12/98/555791298.db2.gz ICJPFFXJVKBTFS-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000014291015 555791634 /nfs/dbraw/zinc/79/16/34/555791634.db2.gz WMMVXEGRCZZODM-UHFFFAOYSA-N 0 0 485.971 5.815 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c1 ZINC000014291014 555791690 /nfs/dbraw/zinc/79/16/90/555791690.db2.gz JHLXMWMJZQMAPU-UHFFFAOYSA-N 0 0 496.007 5.345 40 0 JKABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccc2c(Cl)cccc12 ZINC000014291017 555791867 /nfs/dbraw/zinc/79/18/67/555791867.db2.gz ZGMCVYDDLWCZNU-UHFFFAOYSA-N 0 0 494.378 5.954 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000014291124 555792197 /nfs/dbraw/zinc/79/21/97/555792197.db2.gz JZGJWQCUXNBMHM-UHFFFAOYSA-N 0 0 458.002 5.076 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc3c(Cl)cccc23)CC1 ZINC000014291100 555792211 /nfs/dbraw/zinc/79/22/11/555792211.db2.gz DHLOBYODHIODJS-UHFFFAOYSA-N 0 0 470.400 5.704 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000014291072 555792226 /nfs/dbraw/zinc/79/22/26/555792226.db2.gz IFULUWWTDMWZCH-UHFFFAOYSA-N 0 0 488.813 5.268 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000014291116 555792242 /nfs/dbraw/zinc/79/22/42/555792242.db2.gz AYVFBVQSNQGYBI-UHFFFAOYSA-N 0 0 492.019 5.476 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1Cl ZINC000020528452 555792371 /nfs/dbraw/zinc/79/23/71/555792371.db2.gz OQHATEVXSULUKT-UHFFFAOYSA-N 0 0 478.420 5.339 40 0 JKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000020528488 555792657 /nfs/dbraw/zinc/79/26/57/555792657.db2.gz ZSBIIQIIIFHWHG-CAOOACKPSA-N 0 0 483.612 5.190 40 0 JKABRN CCCOc1cccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000014291217 555792825 /nfs/dbraw/zinc/79/28/25/555792825.db2.gz VXEASCVSKMUQSZ-UHFFFAOYSA-N 0 0 492.019 5.652 40 0 JKABRN CCc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000014291259 555792833 /nfs/dbraw/zinc/79/28/33/555792833.db2.gz ROCZKCCXHSOKCE-UHFFFAOYSA-N 0 0 492.019 5.191 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000014291252 555792875 /nfs/dbraw/zinc/79/28/75/555792875.db2.gz CEARYUWSPPLYKS-UHFFFAOYSA-N 0 0 482.411 5.825 40 0 JKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1Cl ZINC000014291246 555792886 /nfs/dbraw/zinc/79/28/86/555792886.db2.gz HXCBOMHJISVWPW-UHFFFAOYSA-N 0 0 498.410 5.525 40 0 JKABRN CCOc1cccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000014291216 555792892 /nfs/dbraw/zinc/79/28/92/555792892.db2.gz QQYRYKBXTXHANZ-UHFFFAOYSA-N 0 0 477.992 5.262 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 ZINC000020528633 555792922 /nfs/dbraw/zinc/79/29/22/555792922.db2.gz RTJDYZLSRNPDPK-UHFFFAOYSA-N 0 0 472.073 5.580 40 0 JKABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000014291351 555793067 /nfs/dbraw/zinc/79/30/67/555793067.db2.gz UHUDIYOLISCTOS-UHFFFAOYSA-N 0 0 483.912 5.475 40 0 JKABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014291354 555793177 /nfs/dbraw/zinc/79/31/77/555793177.db2.gz FYCUDFKBAJHFJC-UHFFFAOYSA-N 0 0 465.922 5.336 40 0 JKABRN CC(C)COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000020528847 555793256 /nfs/dbraw/zinc/79/32/56/555793256.db2.gz SOHMUNAAQNCZNY-CAOOACKPSA-N 0 0 483.612 5.336 40 0 JKABRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000020528762 555793278 /nfs/dbraw/zinc/79/32/78/555793278.db2.gz FSOBVVBKONWIHQ-CSKARUKUSA-N 0 0 482.352 6.072 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc([C@H](C)CC)cc4)cc3)CC2)cc1 ZINC000020528956 555793549 /nfs/dbraw/zinc/79/35/49/555793549.db2.gz WMDCFKLWDFXBFN-HSZRJFAPSA-N 0 0 499.655 5.742 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)c1 ZINC000020528852 555793556 /nfs/dbraw/zinc/79/35/56/555793556.db2.gz ZGUHLMIUBIAZQB-UHFFFAOYSA-N 0 0 472.029 5.466 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2Cl)CC1 ZINC000020528988 555793735 /nfs/dbraw/zinc/79/37/35/555793735.db2.gz DOJHAMOROSRIFK-UHFFFAOYSA-N 0 0 478.818 5.050 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc(C)c1Cl ZINC000020528987 555793746 /nfs/dbraw/zinc/79/37/46/555793746.db2.gz COYFFGPTYCYNGM-UHFFFAOYSA-N 0 0 492.447 5.322 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)CC2)cc1 ZINC000020529128 555794035 /nfs/dbraw/zinc/79/40/35/555794035.db2.gz GCTRCUDSMIIVGJ-UHFFFAOYSA-N 0 0 498.026 6.270 40 0 JKABRN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1 ZINC000020529071 555794108 /nfs/dbraw/zinc/79/41/08/555794108.db2.gz IMXDHCPBABNWED-UHFFFAOYSA-N 0 0 458.002 5.074 40 0 JKABRN NS(=O)(=O)c1ccc(N2N=C(c3ccc(-c4ccccc4)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000020530398 555797501 /nfs/dbraw/zinc/79/75/01/555797501.db2.gz YMLOKFPUSMNSFE-HHHXNRCGSA-N 0 0 453.567 5.357 40 0 JKABRN Cc1cc(OS(=O)(=O)c2ccc(C3CCCCC3)cc2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000011691539 555800559 /nfs/dbraw/zinc/80/05/59/555800559.db2.gz HIHATTLJCJTBDR-UHFFFAOYSA-N 0 0 465.402 6.303 40 0 JKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000014396145 555801845 /nfs/dbraw/zinc/80/18/45/555801845.db2.gz AJXZTDGFLOVJHT-HNNXBMFYSA-N 0 0 479.385 5.509 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000014396495 555802153 /nfs/dbraw/zinc/80/21/53/555802153.db2.gz ARMGYMJRINBKMR-UHFFFAOYSA-N 0 0 496.654 5.519 40 0 JKABRN Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000014396573 555802237 /nfs/dbraw/zinc/80/22/37/555802237.db2.gz IJSBESRENFVIRH-UHFFFAOYSA-N 0 0 458.967 5.247 40 0 JKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl ZINC000014396629 555802640 /nfs/dbraw/zinc/80/26/40/555802640.db2.gz OXTKQGHGLUUSMY-RBUKOAKNSA-N 0 0 450.966 5.854 40 0 JKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000014397125 555802871 /nfs/dbraw/zinc/80/28/71/555802871.db2.gz HMRGCAQNQIJGFR-UHFFFAOYSA-N 0 0 495.000 6.092 40 0 JKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000014397699 555803213 /nfs/dbraw/zinc/80/32/13/555803213.db2.gz GOCLTOBXXWIVBW-UHFFFAOYSA-N 0 0 458.967 5.247 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000014397663 555803227 /nfs/dbraw/zinc/80/32/27/555803227.db2.gz ZESXAJUWJVZWSR-UHFFFAOYSA-N 0 0 458.967 5.247 40 0 JKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000014397368 555803234 /nfs/dbraw/zinc/80/32/34/555803234.db2.gz KNFLHHYSJFBVDA-QHCPKHFHSA-N 0 0 488.993 5.254 40 0 JKABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl ZINC000014397615 555803250 /nfs/dbraw/zinc/80/32/50/555803250.db2.gz VXXWGSCARJVUSU-UHFFFAOYSA-N 0 0 484.232 5.163 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)c1 ZINC000014398032 555803661 /nfs/dbraw/zinc/80/36/61/555803661.db2.gz KLOOHXUJKXNNSH-UHFFFAOYSA-N 0 0 458.967 5.247 40 0 JKABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000014399084 555804504 /nfs/dbraw/zinc/80/45/04/555804504.db2.gz YEQWMFDXYVVYMD-KRWDZBQOSA-N 0 0 464.518 5.186 40 0 JKABRN Cc1cc(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C)c1Cl 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NYJLDPNUQYNQIW-XZOQPEGZSA-N 0 0 464.945 5.361 40 0 JKABRN Cc1cc(O)cc2c1[C@H](c1ccccc1)[C@H]1CCC[C@H]3[C@@H](c4ccccc4)NC(=S)N[C@@]13O2 ZINC000015021636 555863599 /nfs/dbraw/zinc/86/35/99/555863599.db2.gz OSMMFDTVBGGXAE-XYDXYKKFSA-N 0 0 456.611 5.557 40 0 JKABRN COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(Br)c(C(C)C)cc3-c3[nH]c4ccccc4c3[C@H]12 ZINC000015021823 555863703 /nfs/dbraw/zinc/86/37/03/555863703.db2.gz GEBHRPDLIGCDSK-OIKPOIBNSA-N 0 0 480.446 7.439 40 0 JKABRN COc1ccc(C(c2sc(=O)[nH]c2-c2ccccc2)c2sc(=O)[nH]c2-c2ccccc2)cc1 ZINC000015022127 555863997 /nfs/dbraw/zinc/86/39/97/555863997.db2.gz IVNSMVHKYZYMMX-UHFFFAOYSA-N 0 0 472.591 5.709 40 0 JKABRN O=C(Nc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(-c2ccc(F)cc2)o1 ZINC000015022498 555864035 /nfs/dbraw/zinc/86/40/35/555864035.db2.gz UTURNBLZJMLEPF-UHFFFAOYSA-N 0 0 484.458 6.989 40 0 JKABRN Cc1ccccc1NC(=S)c1c(-c2ccc(Cl)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000015022074 555864057 /nfs/dbraw/zinc/86/40/57/555864057.db2.gz DQYDLMYRGWJQEK-UHFFFAOYSA-N 0 0 496.079 8.161 40 0 JKABRN O=C(CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000015049604 555866459 /nfs/dbraw/zinc/86/64/59/555866459.db2.gz WVMSPAFTTOTPIY-NVNXTCNLSA-N 0 0 485.281 5.143 40 0 JKABRN Cc1ccc(/N=c2\ssc3c2-c2cc(C)ccc2N(Cc2ccccc2)C3(C)C)c(C)c1 ZINC000015057296 555866740 /nfs/dbraw/zinc/86/67/40/555866740.db2.gz DWAIQKLVVGCSKI-OHYPFYFLSA-N 0 0 456.680 7.890 40 0 JKABRN CC(=O)O[C@@H](CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000022059479 555867518 /nfs/dbraw/zinc/86/75/18/555867518.db2.gz HFQRXXWTCQBULQ-DSNGMDLFSA-N 0 0 451.469 5.459 40 0 JKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000022072547 555869865 /nfs/dbraw/zinc/86/98/65/555869865.db2.gz BFXFBPCPFAQULO-UHFFFAOYSA-N 0 0 474.388 6.093 40 0 JKABRN CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccccc2Br)cc1OCC ZINC000022072030 555869901 /nfs/dbraw/zinc/86/99/01/555869901.db2.gz VOWBQFFIGHNDFT-UHFFFAOYSA-N 0 0 484.394 5.358 40 0 JKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(Br)cc2)cc1OCC ZINC000022072320 555869918 /nfs/dbraw/zinc/86/99/18/555869918.db2.gz HHUOHAJGZUAXMT-UHFFFAOYSA-N 0 0 484.394 5.548 40 0 JKABRN CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccc(OC(F)(F)F)cc2)cc1OCC ZINC000022072038 555869940 /nfs/dbraw/zinc/86/99/40/555869940.db2.gz CMADXQXUXSNUBI-UHFFFAOYSA-N 0 0 489.494 5.494 40 0 JKABRN CCOc1cc(CNCc2ccco2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022076333 555871233 /nfs/dbraw/zinc/87/12/33/555871233.db2.gz IMPBGMAGIIDMNE-UHFFFAOYSA-N 0 0 450.760 5.963 40 0 JKABRN CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000022079559 555872126 /nfs/dbraw/zinc/87/21/26/555872126.db2.gz MCADYAGZJILEQQ-LCUIJRPUSA-N 0 0 494.462 6.216 40 0 JKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)c1 ZINC000022079569 555872190 /nfs/dbraw/zinc/87/21/90/555872190.db2.gz YZTFETWUOSJNAL-UHFFFAOYSA-N 0 0 451.375 6.362 40 0 JKABRN CCCCn1nnnc1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022109573 555876302 /nfs/dbraw/zinc/87/63/02/555876302.db2.gz CXAWDNVQQXHBDP-UHFFFAOYSA-N 0 0 456.377 6.124 40 0 JKABRN CCCCn1nnnc1NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000022109596 555876429 /nfs/dbraw/zinc/87/64/29/555876429.db2.gz OWAIQHYSJWOMPY-UHFFFAOYSA-N 0 0 494.821 5.479 40 0 JKABRN CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022109728 555876443 /nfs/dbraw/zinc/87/64/43/555876443.db2.gz UFHKFGGUOIMPLT-UHFFFAOYSA-N 0 0 453.395 5.531 40 0 JKABRN CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000022109867 555876885 /nfs/dbraw/zinc/87/68/85/555876885.db2.gz PFOFAGQFTDOJJO-UHFFFAOYSA-N 0 0 467.422 5.921 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022110187 555877221 /nfs/dbraw/zinc/87/72/21/555877221.db2.gz MBLJYHRXHZHWGN-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022110171 555877252 /nfs/dbraw/zinc/87/72/52/555877252.db2.gz VOWYDRWMUDSHJQ-UHFFFAOYSA-N 0 0 484.984 6.122 40 0 JKABRN CCc1n[nH]c(=S)n1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022110394 555877344 /nfs/dbraw/zinc/87/73/44/555877344.db2.gz VCOJOILNKQKABW-UHFFFAOYSA-N 0 0 459.402 6.286 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccccc1OCc1ccccc1Cl ZINC000022110551 555877584 /nfs/dbraw/zinc/87/75/84/555877584.db2.gz NAFJBICAGJOOOQ-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022110560 555877594 /nfs/dbraw/zinc/87/75/94/555877594.db2.gz AELDGIAGZMKPPD-UHFFFAOYSA-N 0 0 487.412 6.246 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000022110741 555877843 /nfs/dbraw/zinc/87/78/43/555877843.db2.gz ZALOXSMBTXNWRK-UHFFFAOYSA-N 0 0 466.538 5.087 40 0 JKABRN S=c1[nH]nc(-c2ccncc2)n1NCc1cc(Br)ccc1OCc1ccccc1 ZINC000022110782 555877918 /nfs/dbraw/zinc/87/79/18/555877918.db2.gz HHJSNNZEQWFROO-UHFFFAOYSA-N 0 0 468.380 5.088 40 0 JKABRN COc1cccc(CNn2c(=S)[nH]nc2-c2ccncc2)c1OCc1ccc(Cl)cc1Cl ZINC000022110662 555877982 /nfs/dbraw/zinc/87/79/82/555877982.db2.gz ZMQUSIFHHSUJJS-UHFFFAOYSA-N 0 0 488.400 5.641 40 0 JKABRN Fc1ccc(COc2ccc(Br)cc2CNn2c(=S)[nH]nc2-c2ccncc2)cc1 ZINC000022110864 555877996 /nfs/dbraw/zinc/87/79/96/555877996.db2.gz YAAHUNGJWAZHGX-UHFFFAOYSA-N 0 0 486.370 5.227 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022111004 555878252 /nfs/dbraw/zinc/87/82/52/555878252.db2.gz RVUGKYQEVPWPON-UHFFFAOYSA-N 0 0 488.400 5.641 40 0 JKABRN Fc1ccccc1COc1ccc2ccccc2c1CNn1c(=S)[nH]nc1-c1ccncc1 ZINC000022111103 555878261 /nfs/dbraw/zinc/87/82/61/555878261.db2.gz NTMGPKNAZJHFRU-UHFFFAOYSA-N 0 0 457.534 5.618 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000022111178 555878596 /nfs/dbraw/zinc/87/85/96/555878596.db2.gz HVNRGPSUYIXCSO-UHFFFAOYSA-N 0 0 462.575 5.256 40 0 JKABRN CCOc1cc(CNn2cnnc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022111695 555878851 /nfs/dbraw/zinc/87/88/51/555878851.db2.gz AVANWJZUSRHRPB-UHFFFAOYSA-N 0 0 472.170 5.069 40 0 JKABRN CC(C)O[C@@H]1CCCC[C@H]1OC(=O)NCCCCCCNC(=O)O[C@@H]1CCCC[C@@H]1OC(C)C ZINC000015133511 555879550 /nfs/dbraw/zinc/87/95/50/555879550.db2.gz ZTDMMRNZJKKLCG-UEQSERJNSA-N 0 0 484.678 5.472 40 0 JKABRN COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2cccc(Br)c2)c1 ZINC000015188711 555883454 /nfs/dbraw/zinc/88/34/54/555883454.db2.gz MXHBPDOGJCSNQG-JOCHJYFZSA-N 0 0 452.348 5.411 40 0 JKABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000012017480 555885323 /nfs/dbraw/zinc/88/53/23/555885323.db2.gz YCKZIYVRIPZFNG-VABKMULXSA-N 0 0 499.350 5.062 40 0 JKABRN O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000015222602 555885835 /nfs/dbraw/zinc/88/58/35/555885835.db2.gz VGTQURCBKMLVFM-UAPGQXJBSA-N 0 0 453.541 6.263 40 0 JKABRN Cc1ccc2ccccc2c1CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 ZINC000015225557 555886666 /nfs/dbraw/zinc/88/66/66/555886666.db2.gz FCGVXECPIGPFGG-UHFFFAOYSA-N 0 0 486.438 7.451 40 0 JKABRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(Br)cc1F ZINC000015225585 555886695 /nfs/dbraw/zinc/88/66/95/555886695.db2.gz TVHARBUCHJJSGU-UHFFFAOYSA-N 0 0 484.350 5.018 40 0 JKABRN O=C1S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000015228090 555887849 /nfs/dbraw/zinc/88/78/49/555887849.db2.gz POVDVRWULDVYQA-XYGWBWBKSA-N 0 0 472.541 6.096 40 0 JKABRN Cc1cc(Br)c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1C ZINC000015228352 555888090 /nfs/dbraw/zinc/88/80/90/555888090.db2.gz AUUBLLDXMFTJLY-NRFANRHFSA-N 0 0 486.410 5.622 40 0 JKABRN O=C(OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000015228751 555888383 /nfs/dbraw/zinc/88/83/83/555888383.db2.gz YVWZKBUISLYCHY-UHFFFAOYSA-N 0 0 487.180 7.328 40 0 JKABRN Cc1oc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1COc1ccc2oc3ccccc3c2c1 ZINC000015231423 555889794 /nfs/dbraw/zinc/88/97/94/555889794.db2.gz KZVNGJNQMGFBQL-DCWZBLQKSA-N 0 0 483.608 7.401 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022231343 555889975 /nfs/dbraw/zinc/88/99/75/555889975.db2.gz MYFREKJAGOPJKD-UHFFFAOYSA-N 0 0 466.603 5.102 40 0 JKABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1Cl ZINC000022232155 555891442 /nfs/dbraw/zinc/89/14/42/555891442.db2.gz OHQZHAVGJNDKBL-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000022232615 555891989 /nfs/dbraw/zinc/89/19/89/555891989.db2.gz WKSOGERSUDAYCU-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN O=C(Nc1cccc(Cl)c1)c1c(-c2ccccc2)c2c3n(c(COc4ccccc4)nn13)CCCC2 ZINC000015276828 555892355 /nfs/dbraw/zinc/89/23/55/555892355.db2.gz PHHODPLBJHJIPG-UHFFFAOYSA-N 0 0 496.998 6.624 40 0 JKABRN CC[C@@]1(C(=O)c2ccc(Br)cc2)[C@@H]2c3c(ccc4ccccc43)OC(=O)[C@@]21C(=O)OC ZINC000015276731 555892360 /nfs/dbraw/zinc/89/23/60/555892360.db2.gz ZXPTXUOWQDMNMS-OPXMRZJTSA-N 0 0 479.326 5.057 40 0 JKABRN COc1ccc(CCn2c(-c3ccc(Cl)cc3)cs/c2=N\c2cccc(C)c2C)cc1OC ZINC000015277366 555892811 /nfs/dbraw/zinc/89/28/11/555892811.db2.gz HXTDWFSAWZJXIP-OHYPFYFLSA-N 0 0 479.045 6.979 40 0 JKABRN Cc1cc(C)c(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c(C)c1 ZINC000022233272 555893327 /nfs/dbraw/zinc/89/33/27/555893327.db2.gz DCFUJNQMCVBGQT-UHFFFAOYSA-N 0 0 487.021 5.249 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000022233571 555893675 /nfs/dbraw/zinc/89/36/75/555893675.db2.gz VZLABWCTEYFJQJ-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N(c1ccccc1)c1ccccc1 ZINC000015303750 555893961 /nfs/dbraw/zinc/89/39/61/555893961.db2.gz BOPFNCAGQOUDPG-UHFFFAOYSA-N 0 0 486.380 6.412 40 0 JKABRN CCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236998 555894409 /nfs/dbraw/zinc/89/44/09/555894409.db2.gz VRHYRPOTVRKLFA-UHFFFAOYSA-N 0 0 450.460 5.560 40 0 JKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022245413 555896109 /nfs/dbraw/zinc/89/61/09/555896109.db2.gz YBTVWBQUJRUOAX-UHFFFAOYSA-N 0 0 482.653 5.767 40 0 JKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000022245510 555896169 /nfs/dbraw/zinc/89/61/69/555896169.db2.gz RNZYHMXUSWENPL-UHFFFAOYSA-N 0 0 461.974 6.356 40 0 JKABRN Cc1cc(C)cc(COCCSc2nc(C(c3ccccc3)c3ccccc3)cc(=O)[nH]2)c1 ZINC000015321212 555898135 /nfs/dbraw/zinc/89/81/35/555898135.db2.gz YJMHEXJHVNGPRY-UHFFFAOYSA-N 0 0 456.611 5.876 40 0 JKABRN CSc1c2ccccc2n(Cc2ccccc2)c1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000015321230 555898183 /nfs/dbraw/zinc/89/81/83/555898183.db2.gz RPQIYFJRRBFZMM-UHFFFAOYSA-N 0 0 478.617 7.385 40 0 JKABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000022248726 555898996 /nfs/dbraw/zinc/89/89/96/555898996.db2.gz YTLQBPAFYDWKLH-UHFFFAOYSA-N 0 0 499.338 5.060 40 0 JKABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000022248989 555899228 /nfs/dbraw/zinc/89/92/28/555899228.db2.gz ZEIGSHXGHHXQHT-UHFFFAOYSA-N 0 0 488.993 5.180 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2C)cc1 ZINC000015350189 555900044 /nfs/dbraw/zinc/90/00/44/555900044.db2.gz YGYIABISEHYFDK-UHFFFAOYSA-N 0 0 459.365 5.119 40 0 JKABRN COc1cc(C(=O)Nc2c(C)cccc2C(C)C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253713 555902061 /nfs/dbraw/zinc/90/20/61/555902061.db2.gz WAKNSPOIIGGQQO-UHFFFAOYSA-N 0 0 496.629 5.354 40 0 JKABRN COc1ccc(-c2noc(CNS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)cc1 ZINC000022255315 555903227 /nfs/dbraw/zinc/90/32/27/555903227.db2.gz WOMUUWACAJRGBF-UHFFFAOYSA-N 0 0 471.623 5.594 40 0 JKABRN CC[C@H](C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255355 555903466 /nfs/dbraw/zinc/90/34/66/555903466.db2.gz ZWQSCUPTHFRCDD-IBGZPJMESA-N 0 0 475.976 6.410 40 0 JKABRN CCCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255339 555903495 /nfs/dbraw/zinc/90/34/95/555903495.db2.gz CHLKMOIWRMZKLC-UHFFFAOYSA-N 0 0 461.949 6.021 40 0 JKABRN CCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255427 555903520 /nfs/dbraw/zinc/90/35/20/555903520.db2.gz CIDIIJOGXAMKRO-UHFFFAOYSA-N 0 0 475.976 6.330 40 0 JKABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255469 555903539 /nfs/dbraw/zinc/90/35/39/555903539.db2.gz VXGYSGDIVOGACI-UHFFFAOYSA-N 0 0 468.340 5.895 40 0 JKABRN Cc1ccc(-c2noc(CN(C(=O)c3cccc(OCc4ccccc4Cl)c3)C(C)C)n2)cc1 ZINC000022255432 555903552 /nfs/dbraw/zinc/90/35/52/555903552.db2.gz AILDEOCQHNJGRV-UHFFFAOYSA-N 0 0 475.976 6.328 40 0 JKABRN Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4cccc(C)c4)no3)C3CCCCC3)C2)cc1 ZINC000022255720 555903795 /nfs/dbraw/zinc/90/37/95/555903795.db2.gz FSVJOKMETFDFCG-DEOSSOPVSA-N 0 0 472.633 5.931 40 0 JKABRN Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4cccc(C)c4)no3)C3CCCCC3)C2)cc1 ZINC000022255714 555903850 /nfs/dbraw/zinc/90/38/50/555903850.db2.gz FSVJOKMETFDFCG-XMMPIXPASA-N 0 0 472.633 5.931 40 0 JKABRN Cc1ccc(-c2noc(CN(C(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)C3CCCC3)n2)cc1 ZINC000022255754 555903854 /nfs/dbraw/zinc/90/38/54/555903854.db2.gz JFSZMCIVGCBMEE-QHCPKHFHSA-N 0 0 458.606 5.541 40 0 JKABRN Cc1ccc(-c2noc(CN(C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)C3CCCCC3)n2)cc1 ZINC000022255760 555903889 /nfs/dbraw/zinc/90/38/89/555903889.db2.gz KKWLPIFAYOWFRU-XMMPIXPASA-N 0 0 472.633 5.931 40 0 JKABRN CC[C@@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022255933 555904080 /nfs/dbraw/zinc/90/40/80/555904080.db2.gz GGVCXRVQGSHMTB-TZIWHRDSSA-N 0 0 467.013 5.742 40 0 JKABRN Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C3CCCC3)C2)cc1 ZINC000022255966 555904104 /nfs/dbraw/zinc/90/41/04/555904104.db2.gz RCKVYJLGYOXBCB-NRFANRHFSA-N 0 0 479.024 5.886 40 0 JKABRN Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)CC(C)C)C2)cc1 ZINC000022255921 555904110 /nfs/dbraw/zinc/90/41/10/555904110.db2.gz QQQWRDBSQMXXRK-OAQYLSRUSA-N 0 0 467.013 5.600 40 0 JKABRN Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C3CCCCC3)C2)cc1 ZINC000022255976 555904175 /nfs/dbraw/zinc/90/41/75/555904175.db2.gz IBSRSGHTWGRLKP-QFIPXVFZSA-N 0 0 493.051 6.276 40 0 JKABRN CC[C@@H](C)N(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256166 555904210 /nfs/dbraw/zinc/90/42/10/555904210.db2.gz FLUNPANPDZGRHI-IFMALSPDSA-N 0 0 462.594 5.097 40 0 JKABRN Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4Cl)no3)C(C)C)C2)cc1 ZINC000022256023 555904216 /nfs/dbraw/zinc/90/42/16/555904216.db2.gz RHGBVWTYUOBFFH-GOSISDBHSA-N 0 0 487.431 6.005 40 0 JKABRN COc1ccc(-c2noc(CN(C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)C3CCCC3)n2)cc1 ZINC000022256191 555904344 /nfs/dbraw/zinc/90/43/44/555904344.db2.gz MSVXEQSKYFXLSO-JOCHJYFZSA-N 0 0 474.605 5.241 40 0 JKABRN COc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1OC ZINC000022257100 555904908 /nfs/dbraw/zinc/90/49/08/555904908.db2.gz UFHBPTHIQHAZBF-UHFFFAOYSA-N 0 0 485.606 5.011 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258550 555905964 /nfs/dbraw/zinc/90/59/64/555905964.db2.gz BDKPJFDVZMAFFB-UHFFFAOYSA-N 0 0 476.359 7.056 40 0 JKABRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258605 555905985 /nfs/dbraw/zinc/90/59/85/555905985.db2.gz BIDJKTDFTZOJKY-UHFFFAOYSA-N 0 0 462.977 6.234 40 0 JKABRN O=C(Nc1ccc(Br)cc1Cl)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258316 555906013 /nfs/dbraw/zinc/90/60/13/555906013.db2.gz GBDRSVHCYZFICA-UHFFFAOYSA-N 0 0 451.147 6.587 40 0 JKABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3ccccc32)cc1C ZINC000022268303 555907339 /nfs/dbraw/zinc/90/73/39/555907339.db2.gz FRNWATSKXFZDCU-AREMUKBSSA-N 0 0 488.609 5.075 40 0 JKABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(CC)cccc2CC)cc1C ZINC000022268642 555907781 /nfs/dbraw/zinc/90/77/81/555907781.db2.gz TVIVZFAZBRMWGJ-RUZDIDTESA-N 0 0 494.657 5.047 40 0 JKABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000022271745 555910093 /nfs/dbraw/zinc/91/00/93/555910093.db2.gz BIAWSBHFNQLASO-RUZDIDTESA-N 0 0 480.630 5.045 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000022273735 555910384 /nfs/dbraw/zinc/91/03/84/555910384.db2.gz DKNPSAMJPOBRLC-UHFFFAOYSA-N 0 0 488.565 5.676 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000022273675 555910402 /nfs/dbraw/zinc/91/04/02/555910402.db2.gz UAYCFKJGXKKCHL-UHFFFAOYSA-N 0 0 498.910 5.556 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022273929 555910686 /nfs/dbraw/zinc/91/06/86/555910686.db2.gz APOXNFMAGKKEGT-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN CC(C)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274525 555911315 /nfs/dbraw/zinc/91/13/15/555911315.db2.gz JFYATCDPHLBZHL-UHFFFAOYSA-N 0 0 476.520 5.663 40 0 JKABRN Cc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1C ZINC000022274596 555911617 /nfs/dbraw/zinc/91/16/17/555911617.db2.gz IEWMQQRXAWCJKX-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000022274944 555911834 /nfs/dbraw/zinc/91/18/34/555911834.db2.gz MCKVIVBJKDUYLP-UHFFFAOYSA-N 0 0 456.995 5.606 40 0 JKABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 ZINC000022274864 555911867 /nfs/dbraw/zinc/91/18/67/555911867.db2.gz WRAVLXQOLTXNCA-UHFFFAOYSA-N 0 0 464.974 5.636 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2C)cc1 ZINC000022275152 555912220 /nfs/dbraw/zinc/91/22/20/555912220.db2.gz YIIIMNFEZVSJHB-UHFFFAOYSA-N 0 0 498.648 5.728 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2cc(C)ccc2C)cc1 ZINC000022275491 555912404 /nfs/dbraw/zinc/91/24/04/555912404.db2.gz ZETKKTPWUXMYBZ-UHFFFAOYSA-N 0 0 477.413 5.753 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2cccc(Cl)c2)cc1 ZINC000022276018 555913150 /nfs/dbraw/zinc/91/31/50/555913150.db2.gz GWOSROHXAPZKHR-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cccc(Br)c2)cc1 ZINC000022276263 555913330 /nfs/dbraw/zinc/91/33/30/555913330.db2.gz ZOJDJGCZLFWFMU-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276810 555914351 /nfs/dbraw/zinc/91/43/51/555914351.db2.gz WWSQVWYVUXNEBV-UHFFFAOYSA-N 0 0 462.493 5.156 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276844 555914356 /nfs/dbraw/zinc/91/43/56/555914356.db2.gz VJKJBAQQETVXQQ-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277040 555914645 /nfs/dbraw/zinc/91/46/45/555914645.db2.gz MHIPGIKWWBOYIZ-UHFFFAOYSA-N 0 0 477.413 5.753 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccc(Cl)cc2C)cc1 ZINC000022277473 555915125 /nfs/dbraw/zinc/91/51/25/555915125.db2.gz IRAFKJMIJHGDAC-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2C)cc1 ZINC000022277554 555915171 /nfs/dbraw/zinc/91/51/71/555915171.db2.gz GTMOLTZZHQDZFF-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2C)cc1 ZINC000022277540 555915184 /nfs/dbraw/zinc/91/51/84/555915184.db2.gz OVULLYCKXCFVAV-UHFFFAOYSA-N 0 0 496.938 5.810 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cccc(Cl)c2C)cc1 ZINC000022277812 555915457 /nfs/dbraw/zinc/91/54/57/555915457.db2.gz ICCDESKSTQEISR-UHFFFAOYSA-N 0 0 479.001 5.944 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2cc(Cl)ccc2C)cc1 ZINC000022277643 555915499 /nfs/dbraw/zinc/91/54/99/555915499.db2.gz HZEHJMNQJPVSPZ-UHFFFAOYSA-N 0 0 479.001 5.944 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2cccc(Cl)c2C)cc1 ZINC000022277808 555915515 /nfs/dbraw/zinc/91/55/15/555915515.db2.gz OOCNTIISBNIGQV-UHFFFAOYSA-N 0 0 479.001 5.944 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000022277985 555915705 /nfs/dbraw/zinc/91/57/05/555915705.db2.gz PATMCTVZIRRAHG-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN COc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022278107 555916068 /nfs/dbraw/zinc/91/60/68/555916068.db2.gz RKAUANFCTCYWNP-UHFFFAOYSA-N 0 0 495.000 5.644 40 0 JKABRN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C)cc2)cc1 ZINC000022278633 555916531 /nfs/dbraw/zinc/91/65/31/555916531.db2.gz NWFPELCOUDGRGD-UHFFFAOYSA-N 0 0 495.453 5.858 40 0 JKABRN Cc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C ZINC000022278683 555916555 /nfs/dbraw/zinc/91/65/55/555916555.db2.gz DBWKVMFKBQFHNU-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 ZINC000022278751 555916561 /nfs/dbraw/zinc/91/65/61/555916561.db2.gz YLWJQWWTNVHJEB-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1OC ZINC000015588980 555917207 /nfs/dbraw/zinc/91/72/07/555917207.db2.gz SCIQUNJXJBQVID-UHFFFAOYSA-N 0 0 480.977 5.336 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022303808 555919117 /nfs/dbraw/zinc/91/91/17/555919117.db2.gz STRDJCAMCVPVLB-LJQANCHMSA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022303810 555919135 /nfs/dbraw/zinc/91/91/35/555919135.db2.gz STRDJCAMCVPVLB-IBGZPJMESA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022304197 555919159 /nfs/dbraw/zinc/91/91/59/555919159.db2.gz IDDHJLPVTMPECB-IBGZPJMESA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022303411 555919175 /nfs/dbraw/zinc/91/91/75/555919175.db2.gz MVLCHIMZDHOPHB-JOCHJYFZSA-N 0 0 464.631 5.500 40 0 JKABRN CC[C@H](NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022310919 555920390 /nfs/dbraw/zinc/92/03/90/555920390.db2.gz SZDFYVUKAKPKBK-QHCPKHFHSA-N 0 0 487.021 5.120 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022314432 555920601 /nfs/dbraw/zinc/92/06/01/555920601.db2.gz GRASMVJBSAXIOB-GOSISDBHSA-N 0 0 491.440 5.683 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccc(C)cc2C)cc1 ZINC000022317465 555920975 /nfs/dbraw/zinc/92/09/75/555920975.db2.gz FHZRLTITJNWIKD-HSZRJFAPSA-N 0 0 464.631 5.301 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(Cl)cc2)cc1 ZINC000022320918 555921292 /nfs/dbraw/zinc/92/12/92/555921292.db2.gz VCZQUWRSDCHNMD-FQEVSTJZSA-N 0 0 471.022 5.338 40 0 JKABRN COC(=O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)ccc1Cl ZINC000015659606 555922683 /nfs/dbraw/zinc/92/26/83/555922683.db2.gz AEFJZCWEAUHHPH-OPIFHRFKSA-N 0 0 495.962 5.550 40 0 JKABRN CSc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(C)cc2)cc1 ZINC000022345285 555923486 /nfs/dbraw/zinc/92/34/86/555923486.db2.gz CEBDIVZYSXVEQD-NRFANRHFSA-N 0 0 482.671 5.406 40 0 JKABRN CCOc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022345503 555923532 /nfs/dbraw/zinc/92/35/32/555923532.db2.gz AHMAJIUBORSTJX-RUZDIDTESA-N 0 0 499.032 5.128 40 0 JKABRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000022358301 555925154 /nfs/dbraw/zinc/92/51/54/555925154.db2.gz UOPZGBKCQNVSIP-SFHVURJKSA-N 0 0 487.560 5.262 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c(C)c1 ZINC000022367082 555926379 /nfs/dbraw/zinc/92/63/79/555926379.db2.gz ZPMLLHLLGMBLJI-KBJASICCSA-N 0 0 494.701 5.415 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000022370951 555926560 /nfs/dbraw/zinc/92/65/60/555926560.db2.gz YNVARPWOBDNDSF-HXUWFJFHSA-N 0 0 471.022 5.338 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000022371963 555926958 /nfs/dbraw/zinc/92/69/58/555926958.db2.gz XWFDKNFPKOTFJD-XMMPIXPASA-N 0 0 487.021 5.120 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022373979 555927179 /nfs/dbraw/zinc/92/71/79/555927179.db2.gz NQBZWVYPCICWLN-GOSISDBHSA-N 0 0 474.985 5.169 40 0 JKABRN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000022522663 555930594 /nfs/dbraw/zinc/93/05/94/555930594.db2.gz AOOWEBIFVDIVJI-QGZVFWFLSA-N 0 0 471.022 5.929 40 0 JKABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022523855 555930899 /nfs/dbraw/zinc/93/08/99/555930899.db2.gz MZQMDWDPWAHFPY-LJQANCHMSA-N 0 0 487.021 5.120 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000022524102 555931245 /nfs/dbraw/zinc/93/12/45/555931245.db2.gz JKZSGMYNUGJXFO-HSZRJFAPSA-N 0 0 456.995 5.187 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5cc4OC)cc3)nc2c1 ZINC000022530293 555931514 /nfs/dbraw/zinc/93/15/14/555931514.db2.gz ANTATJRYRZZKKX-SFHVURJKSA-N 0 0 450.538 7.422 40 0 JKABRN CC(C)C[C@H](NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000022530191 555931572 /nfs/dbraw/zinc/93/15/72/555931572.db2.gz HAGSLHUITIYGCN-VWLOTQADSA-N 0 0 485.049 5.823 40 0 JKABRN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)n2)cc1 ZINC000022531106 555931840 /nfs/dbraw/zinc/93/18/40/555931840.db2.gz WHWRGSHBWIXQHL-ZRDIBKRKSA-N 0 0 450.947 6.692 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4cccc5ccccc54)nc3c2)cc1 ZINC000022530346 555931895 /nfs/dbraw/zinc/93/18/95/555931895.db2.gz IIMDDBGYWSSDCJ-IBGZPJMESA-N 0 0 450.542 6.105 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000022532842 555932751 /nfs/dbraw/zinc/93/27/51/555932751.db2.gz CZPIXHSPXGXECJ-UHFFFAOYSA-N 0 0 452.004 6.360 40 0 JKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000022534283 555932983 /nfs/dbraw/zinc/93/29/83/555932983.db2.gz HIIGHOPNOICBNT-MRXNPFEDSA-N 0 0 458.967 5.031 40 0 JKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(OCc2ccccc2)c1 ZINC000022535043 555932996 /nfs/dbraw/zinc/93/29/96/555932996.db2.gz QLSBCEMXUTXRAE-UHFFFAOYSA-N 0 0 453.321 7.189 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 ZINC000022534635 555933024 /nfs/dbraw/zinc/93/30/24/555933024.db2.gz ONZRPYACYJCHOZ-OAHLLOKOSA-N 0 0 452.913 6.818 40 0 JKABRN COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c2ccccc12 ZINC000015674228 555933312 /nfs/dbraw/zinc/93/33/12/555933312.db2.gz QXAWURFPONFGOX-UTKZUKDTSA-N 0 0 485.462 5.105 40 0 biogenic,in-vitro JKABRN COC(=O)c1cc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc(C(=O)OC)c1 ZINC000022535812 555933266 /nfs/dbraw/zinc/93/32/66/555933266.db2.gz RCAFLZCILUZYLA-VQHVLOKHSA-N 0 0 453.878 5.134 40 0 JKABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674286 555933348 /nfs/dbraw/zinc/93/33/48/555933348.db2.gz IYYKLIPGROAYDW-KNQAVFIVSA-N 0 0 482.462 5.005 40 0 biogenic,in-vitro JKABRN CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccc(C(C)C)cc2)Nc2ccccc2S3)cc1 ZINC000022536632 555933622 /nfs/dbraw/zinc/93/36/22/555933622.db2.gz RWHAMOKATOEQNO-VWLOTQADSA-N 0 0 454.595 6.459 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000022537301 555933830 /nfs/dbraw/zinc/93/38/30/555933830.db2.gz RUTDKBPUBQSKKU-UXBLZVDNSA-N 0 0 455.341 5.812 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)o2)cc1Cl ZINC000022537318 555933915 /nfs/dbraw/zinc/93/39/15/555933915.db2.gz QCXNSDPLOZKTHH-PKNBQFBNSA-N 0 0 455.366 7.337 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)o2)cc1Cl ZINC000022537066 555933934 /nfs/dbraw/zinc/93/39/34/555933934.db2.gz GHDCONPOCLXSRO-ZRDIBKRKSA-N 0 0 454.979 5.990 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)o2)cc1Cl ZINC000022537361 555933964 /nfs/dbraw/zinc/93/39/64/555933964.db2.gz ZRAHBTRVPUEZSM-FMIVXFBMSA-N 0 0 455.385 7.204 40 0 JKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cc(Br)ccc1Cl ZINC000022537705 555934202 /nfs/dbraw/zinc/93/42/02/555934202.db2.gz XRSJZNNYEWIEAN-UHFFFAOYSA-N 0 0 455.695 5.155 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000022563169 555934543 /nfs/dbraw/zinc/93/45/43/555934543.db2.gz UMZAIAZLABUUHY-PMACEKPBSA-N 0 0 456.586 7.539 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cc(C)cc(C)c2)cc1 ZINC000022562453 555934554 /nfs/dbraw/zinc/93/45/54/555934554.db2.gz JVRCNKJUXBOARE-UHFFFAOYSA-N 0 0 456.369 6.634 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc([C@@H](C)CC)cc4)c3)nc2c1 ZINC000022563178 555934575 /nfs/dbraw/zinc/93/45/75/555934575.db2.gz UMZAIAZLABUUHY-VQTJNVASSA-N 0 0 456.586 7.539 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(CC)cc2)cc1 ZINC000022562435 555934603 /nfs/dbraw/zinc/93/46/03/555934603.db2.gz PRYMUSDDUOFFEF-UHFFFAOYSA-N 0 0 456.369 6.580 40 0 JKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000022563852 555934835 /nfs/dbraw/zinc/93/48/35/555934835.db2.gz CIAAFSSORLUEBZ-UHFFFAOYSA-N 0 0 457.338 6.239 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc(C)c1Cl ZINC000022563925 555935341 /nfs/dbraw/zinc/93/53/41/555935341.db2.gz CMSBPMQDUPTARX-UHFFFAOYSA-N 0 0 457.382 6.904 40 0 JKABRN COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000015675972 555935353 /nfs/dbraw/zinc/93/53/53/555935353.db2.gz GDQRCOZHPMGREF-VWLOTQADSA-N 0 0 477.524 5.075 40 0 biogenic,in-vitro JKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000022564899 555935602 /nfs/dbraw/zinc/93/56/02/555935602.db2.gz CFWUOOSTOCGAGB-UHFFFAOYSA-N 0 0 458.395 6.397 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 ZINC000022565169 555935904 /nfs/dbraw/zinc/93/59/04/555935904.db2.gz PLIBXIVVACTGBP-QGZVFWFLSA-N 0 0 458.514 5.027 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000022565640 555935969 /nfs/dbraw/zinc/93/59/69/555935969.db2.gz FJHGGSHVFPTPPV-HXUWFJFHSA-N 0 0 458.602 6.767 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000022566358 555936240 /nfs/dbraw/zinc/93/62/40/555936240.db2.gz JQHUTOWIBOETHT-UHFFFAOYSA-N 0 0 459.329 5.421 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022567451 555936569 /nfs/dbraw/zinc/93/65/69/555936569.db2.gz QLPZSIODWMIUBT-UXBLZVDNSA-N 0 0 459.785 7.575 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)c(C)cc1I ZINC000022567659 555936615 /nfs/dbraw/zinc/93/66/15/555936615.db2.gz ZTTUAGMOSCPNJM-UHFFFAOYSA-N 0 0 460.340 5.188 40 0 JKABRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1Cl ZINC000022568833 555936841 /nfs/dbraw/zinc/93/68/41/555936841.db2.gz JFUBODIRAPRULG-JXMROGBWSA-N 0 0 461.370 6.097 40 0 JKABRN COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022570016 555937124 /nfs/dbraw/zinc/93/71/24/555937124.db2.gz XTVCBIFGUUGHGF-UHFFFAOYSA-N 0 0 462.505 5.266 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000022570332 555937151 /nfs/dbraw/zinc/93/71/51/555937151.db2.gz CLRXZPSFANAIOQ-UHFFFAOYSA-N 0 0 462.549 6.891 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3OC(F)F)o2)cc1Cl ZINC000022571415 555937382 /nfs/dbraw/zinc/93/73/82/555937382.db2.gz SAKDAKMYYRTBLZ-PKNBQFBNSA-N 0 0 462.905 6.036 40 0 JKABRN CCOc1ccc(Nc2nc(Nc3ccc(OCC)cc3)nc(N3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000022570953 555937388 /nfs/dbraw/zinc/93/73/88/555937388.db2.gz GCXGTOYUJLQVKC-KDURUIRLSA-N 0 0 462.598 5.639 40 0 JKABRN CCOc1ccc([C@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000022571546 555937402 /nfs/dbraw/zinc/93/74/02/555937402.db2.gz YEYSAKATWBBQET-JOCHJYFZSA-N 0 0 462.958 5.825 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccnc2Cl)cc1 ZINC000022572819 555937775 /nfs/dbraw/zinc/93/77/75/555937775.db2.gz ILRHMCNJYPGRRQ-UHFFFAOYSA-N 0 0 463.748 6.066 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 ZINC000022572970 555938025 /nfs/dbraw/zinc/93/80/25/555938025.db2.gz QRKBSNXNCWJYEW-UHFFFAOYSA-N 0 0 463.969 5.489 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1 ZINC000022572975 555938032 /nfs/dbraw/zinc/93/80/32/555938032.db2.gz NCPYUQQCHBVLJR-UHFFFAOYSA-N 0 0 463.969 5.246 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022572874 555938049 /nfs/dbraw/zinc/93/80/49/555938049.db2.gz KVOAGXUTIWVIDX-UHFFFAOYSA-N 0 0 463.773 7.184 40 0 JKABRN S=C(Nc1cc(Cl)ccc1Oc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022573018 555938055 /nfs/dbraw/zinc/93/80/55/555938055.db2.gz QSRMLZIIPRUFNR-JXMROGBWSA-N 0 0 464.034 6.160 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2C)cc1Br ZINC000022573201 555938061 /nfs/dbraw/zinc/93/80/61/555938061.db2.gz LWKSGRNUMAYOKE-UHFFFAOYSA-N 0 0 464.429 5.129 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)o2)cc1Cl ZINC000022573080 555938063 /nfs/dbraw/zinc/93/80/63/555938063.db2.gz MAMNVIJNMISOKA-FYWRMAATSA-N 0 0 464.348 8.006 40 0 JKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022572858 555938101 /nfs/dbraw/zinc/93/81/01/555938101.db2.gz ZYGQQZKHDJNECQ-UHFFFAOYSA-N 0 0 463.773 6.941 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022572869 555938124 /nfs/dbraw/zinc/93/81/24/555938124.db2.gz NZWSPXXKKQYLQE-UHFFFAOYSA-N 0 0 463.773 7.184 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1c(C)cc(C)cc1Cl ZINC000022574747 555938354 /nfs/dbraw/zinc/93/83/54/555938354.db2.gz MIUTYMIULQVMQA-UHFFFAOYSA-N 0 0 464.949 6.408 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccccc1Cl ZINC000022576410 555939045 /nfs/dbraw/zinc/93/90/45/555939045.db2.gz OLIMTBLIWJIJAG-UHFFFAOYSA-N 0 0 465.962 5.900 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3o2)cc1Cl ZINC000022576393 555939102 /nfs/dbraw/zinc/93/91/02/555939102.db2.gz ULNYKZXLFDCPCG-UHFFFAOYSA-N 0 0 465.962 5.900 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000022704033 555942610 /nfs/dbraw/zinc/94/26/10/555942610.db2.gz HHTDSBUTQYDUSJ-UHFFFAOYSA-N 0 0 468.388 6.134 40 0 JKABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000022705139 555942862 /nfs/dbraw/zinc/94/28/62/555942862.db2.gz SRPLHZJVKZHKSS-SAAWKEMMSA-N 0 0 469.006 6.654 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cccc3ccccc32)cc1 ZINC000022705615 555943221 /nfs/dbraw/zinc/94/32/21/555943221.db2.gz CKBWKRBVOORPIU-UHFFFAOYSA-N 0 0 469.566 5.133 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc3ccccc3c2)cc1 ZINC000022705650 555943265 /nfs/dbraw/zinc/94/32/65/555943265.db2.gz UTASNTQJFQBIKY-UHFFFAOYSA-N 0 0 469.566 5.133 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)cc2s1 ZINC000022706916 555943695 /nfs/dbraw/zinc/94/36/95/555943695.db2.gz UDKWPYQXWPDWDI-UHFFFAOYSA-N 0 0 470.620 5.197 40 0 JKABRN CCCCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 ZINC000022706867 555943783 /nfs/dbraw/zinc/94/37/83/555943783.db2.gz WFESHXQKNUSIQZ-OAQYLSRUSA-N 0 0 470.613 8.220 40 0 JKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3n2)cc1 ZINC000022706890 555943799 /nfs/dbraw/zinc/94/37/99/555943799.db2.gz JTJYWAKURZSQTI-FQEVSTJZSA-N 0 0 470.617 6.603 40 0 JKABRN COc1cc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022707322 555943902 /nfs/dbraw/zinc/94/39/02/555943902.db2.gz STUCGAGKMNRMBK-UHFFFAOYSA-N 0 0 471.296 5.064 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000022707375 555943909 /nfs/dbraw/zinc/94/39/09/555943909.db2.gz BWZCNVHGJKERBG-UHFFFAOYSA-N 0 0 471.340 6.445 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000022707419 555943926 /nfs/dbraw/zinc/94/39/26/555943926.db2.gz NADULPHVNVLLSU-MRXNPFEDSA-N 0 0 471.384 6.777 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3-c3nc4ccccc4s3)o2)cc1Cl ZINC000022707273 555943947 /nfs/dbraw/zinc/94/39/47/555943947.db2.gz RPIRCUBUPCKAIQ-FYWRMAATSA-N 0 0 470.981 7.837 40 0 JKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc(OCc2ccccc2)c1 ZINC000022707278 555943957 /nfs/dbraw/zinc/94/39/57/555943957.db2.gz OQTUYZVQCVZGSK-UHFFFAOYSA-N 0 0 470.981 7.448 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000022707410 555943963 /nfs/dbraw/zinc/94/39/63/555943963.db2.gz KQFNFDAGRCZKOE-MRXNPFEDSA-N 0 0 471.384 6.777 40 0 JKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc(OCc2ccccc2)c1 ZINC000022707275 555943990 /nfs/dbraw/zinc/94/39/90/555943990.db2.gz XZMAGWXRWUDBNP-UHFFFAOYSA-N 0 0 470.981 7.448 40 0 JKABRN Cc1cccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1Cl ZINC000022707931 555944458 /nfs/dbraw/zinc/94/44/58/555944458.db2.gz CPAVLLMTJYVDLB-UHFFFAOYSA-N 0 0 472.004 6.031 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(OCC)c2)cc1 ZINC000022708014 555944576 /nfs/dbraw/zinc/94/45/76/555944576.db2.gz SWNACYAFQHONFI-UHFFFAOYSA-N 0 0 472.368 6.416 40 0 JKABRN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000022709264 555945128 /nfs/dbraw/zinc/94/51/28/555945128.db2.gz SFSMELPLVPQJII-DEOSSOPVSA-N 0 0 473.425 6.031 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4cccc(C)c4)cc3)nc2c1 ZINC000022709661 555945346 /nfs/dbraw/zinc/94/53/46/555945346.db2.gz IZKRRBRAODSSJE-GOSISDBHSA-N 0 0 473.598 6.209 40 0 JKABRN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Br ZINC000022709875 555945354 /nfs/dbraw/zinc/94/53/54/555945354.db2.gz WYNXYANBWSRUMY-UHFFFAOYSA-N 0 0 473.779 6.640 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc(C)cc4)cc3)nc2c1 ZINC000022709673 555945432 /nfs/dbraw/zinc/94/54/32/555945432.db2.gz PXJAUDHZKOKJLC-SFHVURJKSA-N 0 0 473.598 6.209 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cccc(Br)c1 ZINC000022710139 555945672 /nfs/dbraw/zinc/94/56/72/555945672.db2.gz MLLYOAYSVDADQW-QHCPKHFHSA-N 0 0 474.358 5.788 40 0 JKABRN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000022711446 555945712 /nfs/dbraw/zinc/94/57/12/555945712.db2.gz WQLKXECJQGOAJH-QHCPKHFHSA-N 0 0 475.397 5.477 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1 ZINC000022710822 555945734 /nfs/dbraw/zinc/94/57/34/555945734.db2.gz LTSRJSJHZHLUPD-UHFFFAOYSA-N 0 0 474.611 5.829 40 0 JKABRN Cc1ccccc1OCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022711955 555946029 /nfs/dbraw/zinc/94/60/29/555946029.db2.gz KMUQLRNFMMHQQO-UHFFFAOYSA-N 0 0 475.614 5.437 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1 ZINC000022712817 555946583 /nfs/dbraw/zinc/94/65/83/555946583.db2.gz LVZKYNJFEYTFKH-OAQYLSRUSA-N 0 0 476.576 7.693 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)cc1 ZINC000022713293 555946609 /nfs/dbraw/zinc/94/66/09/555946609.db2.gz XHQFVDCSIVVLTC-SFHVURJKSA-N 0 0 477.004 7.803 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=S)NC(=O)c2ccco2)cc1 ZINC000022713467 555946884 /nfs/dbraw/zinc/94/68/84/555946884.db2.gz YYKCEMIJMFIZEF-UHFFFAOYSA-N 0 0 477.369 5.485 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)cc1 ZINC000022714172 555947119 /nfs/dbraw/zinc/94/71/19/555947119.db2.gz MWCNMYMDGGXNLY-UHFFFAOYSA-N 0 0 477.996 5.554 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c(C)cc1I ZINC000022715663 555947399 /nfs/dbraw/zinc/94/73/99/555947399.db2.gz WHQYMIXFNNRODG-UHFFFAOYSA-N 0 0 479.170 5.342 40 0 JKABRN CCCCc1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022716379 555947699 /nfs/dbraw/zinc/94/76/99/555947699.db2.gz BSAGEIKFFVYMAW-UHFFFAOYSA-N 0 0 479.640 6.411 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccc(C)cc1Cl ZINC000022716675 555947771 /nfs/dbraw/zinc/94/77/71/555947771.db2.gz HNZLZEWPIQNLAV-UHFFFAOYSA-N 0 0 479.989 6.209 40 0 JKABRN Clc1ccc(CC2=C3Sc4nnc(-c5ccccc5)n4N3[C@@H](c3ccccc3)S2)cc1 ZINC000012274179 555947831 /nfs/dbraw/zinc/94/78/31/555947831.db2.gz SYZSTVNJNORCTJ-JOCHJYFZSA-N 0 0 461.015 6.500 40 0 JKABRN COc1c(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc2ccccc2c1Br ZINC000022718112 555947995 /nfs/dbraw/zinc/94/79/95/555947995.db2.gz NNZXLTDQWGBNFY-UHFFFAOYSA-N 0 0 481.371 5.597 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccc(Br)cc1 ZINC000022718096 555947999 /nfs/dbraw/zinc/94/79/99/555947999.db2.gz VDSXEJJQZGKISJ-UHFFFAOYSA-N 0 0 481.346 5.900 40 0 JKABRN CCCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000022739029 555948420 /nfs/dbraw/zinc/94/84/20/555948420.db2.gz RQJIOASEOZAEFP-ACCUITESSA-N 0 0 482.005 6.173 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3N3CCOCC3)o2)cc1Cl ZINC000022739022 555948459 /nfs/dbraw/zinc/94/84/59/555948459.db2.gz ZMNJFWZOCMDCPC-PKNBQFBNSA-N 0 0 482.005 5.271 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000022739109 555948581 /nfs/dbraw/zinc/94/85/81/555948581.db2.gz NUBXDBIZLMSGPJ-BJMVGYQFSA-N 0 0 482.157 6.781 40 0 JKABRN C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(NC(=O)CCc3ccc([C@@H]4C[C@@H]4C)o3)cc2)o1 ZINC000012284781 555948983 /nfs/dbraw/zinc/94/89/83/555948983.db2.gz FYAKIZVYYGFMMM-XZUXRINTSA-N 0 0 460.574 6.262 40 0 JKABRN Cc1ccc(-c2ccc(C=CC(=O)NC(=S)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1Cl ZINC000022740463 555948985 /nfs/dbraw/zinc/94/89/85/555948985.db2.gz OALKDGFWSPTIDD-FEDLQFBMSA-N 0 0 483.077 6.517 40 0 JKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)ccc3o2)c1 ZINC000022740234 555949003 /nfs/dbraw/zinc/94/90/03/555949003.db2.gz WRMLLMTWCQUJMC-DHZHZOJOSA-N 0 0 482.967 7.985 40 0 JKABRN Cc1ccc2nc(-c3ccc(N4C(=O)CS[C@@]45c4cccc6c4N(CCC6)C5=O)cc3)sc2c1 ZINC000022741074 555949169 /nfs/dbraw/zinc/94/91/69/555949169.db2.gz YFHHHKQKSNMWPI-HHHXNRCGSA-N 0 0 483.618 5.497 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022741376 555949213 /nfs/dbraw/zinc/94/92/13/555949213.db2.gz PEHCDKOQETXRTN-UHFFFAOYSA-N 0 0 484.002 5.761 40 0 JKABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000022741380 555949224 /nfs/dbraw/zinc/94/92/24/555949224.db2.gz AATIPPOVRLSCMI-UHFFFAOYSA-N 0 0 484.002 5.761 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccccc4)cc3n2)cc1 ZINC000022742183 555949493 /nfs/dbraw/zinc/94/94/93/555949493.db2.gz LFZAUUUMVCAAID-LFIBNONCSA-N 0 0 484.629 5.102 40 0 JKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000022742161 555949566 /nfs/dbraw/zinc/94/95/66/555949566.db2.gz VUZIHUCNJPTWJM-UHFFFAOYSA-N 0 0 484.625 5.334 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccc(CC)cc2)cc1 ZINC000022743688 555950166 /nfs/dbraw/zinc/95/01/66/555950166.db2.gz BRJFBNBZBQFBEW-UHFFFAOYSA-N 0 0 486.395 6.345 40 0 JKABRN CCCOc1cccc(C(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(C(=O)OCC)cc2)c1 ZINC000022743681 555950179 /nfs/dbraw/zinc/95/01/79/555950179.db2.gz VVXFBRQXKAETCM-UHFFFAOYSA-N 0 0 486.395 6.806 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc(C)c(C)c4)cc3)nc2c1 ZINC000022745689 555950802 /nfs/dbraw/zinc/95/08/02/555950802.db2.gz JVCKCMHNGAJPEC-QGZVFWFLSA-N 0 0 487.625 6.517 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc(C)cc4C)cc3)nc2c1 ZINC000022745667 555950861 /nfs/dbraw/zinc/95/08/61/555950861.db2.gz HRCQMPSXBGRNLQ-GOSISDBHSA-N 0 0 487.625 6.517 40 0 JKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022746200 555951098 /nfs/dbraw/zinc/95/10/98/555951098.db2.gz DZNODXCHGFNAMI-UHFFFAOYSA-N 0 0 488.421 6.406 40 0 JKABRN CCOC(=O)c1sc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)nc1C ZINC000022748198 555951644 /nfs/dbraw/zinc/95/16/44/555951644.db2.gz BIFINDINELGANA-CSKARUKUSA-N 0 0 490.006 5.376 40 0 JKABRN Cc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)c(C)c3)nn12 ZINC000022748183 555951677 /nfs/dbraw/zinc/95/16/77/555951677.db2.gz MYGFZIKRYXBCGL-DHZHZOJOSA-N 0 0 489.988 6.343 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Br)c(C)c3)o2)cc1Cl ZINC000022748135 555951715 /nfs/dbraw/zinc/95/17/15/555951715.db2.gz UPFDRXDDMSZDBX-JXMROGBWSA-N 0 0 489.822 6.506 40 0 JKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc(I)c1 ZINC000022749060 555952019 /nfs/dbraw/zinc/95/20/19/555952019.db2.gz WTSUQMPFPFHAIJ-UHFFFAOYSA-N 0 0 490.753 6.474 40 0 JKABRN COc1cc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c(OC)cc1Cl ZINC000022749493 555952067 /nfs/dbraw/zinc/95/20/67/555952067.db2.gz QJDIDDAXSZCRQQ-VQHVLOKHSA-N 0 0 491.396 6.105 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000022750224 555952333 /nfs/dbraw/zinc/95/23/33/555952333.db2.gz RAMQPCSBCZFYRU-QFIPXVFZSA-N 0 0 492.063 6.193 40 0 JKABRN CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)cc4)cc3Cl)CC2)cc1 ZINC000022750155 555952343 /nfs/dbraw/zinc/95/23/43/555952343.db2.gz IVKFITVXGUDJQX-UHFFFAOYSA-N 0 0 492.019 5.652 40 0 JKABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000022749910 555952345 /nfs/dbraw/zinc/95/23/45/555952345.db2.gz DTELTHRPBXREFF-UHFFFAOYSA-N 0 0 491.613 5.380 40 0 JKABRN Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000022750297 555952355 /nfs/dbraw/zinc/95/23/55/555952355.db2.gz YTKDPKXJDGGSIQ-UHFFFAOYSA-N 0 0 492.422 6.376 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(-c4ccc(CO)o4)c3)o2)cc1Cl ZINC000022751304 555952707 /nfs/dbraw/zinc/95/27/07/555952707.db2.gz PNJSZUWHOAHOBF-FMIVXFBMSA-N 0 0 492.984 6.187 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccccc2Cl)cc1 ZINC000022751150 555952716 /nfs/dbraw/zinc/95/27/16/555952716.db2.gz AFZYQMFRBZQNAB-UHFFFAOYSA-N 0 0 492.786 6.436 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1Br ZINC000022751549 555952750 /nfs/dbraw/zinc/95/27/50/555952750.db2.gz SIRRPTRTPAXUMZ-INIZCTEOSA-N 0 0 493.401 7.422 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000022753098 555953071 /nfs/dbraw/zinc/95/30/71/555953071.db2.gz OFAAXEZETOJQBX-NTUHNPAUSA-N 0 0 494.426 6.534 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Br)cc3F)o2)cc1Cl ZINC000022752562 555953094 /nfs/dbraw/zinc/95/30/94/555953094.db2.gz IBPIXWWJRJDPEF-RMKNXTFCSA-N 0 0 493.785 6.336 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4Cl)cc3)nc2c1 ZINC000022752812 555953104 /nfs/dbraw/zinc/95/31/04/555953104.db2.gz CPAUEINFSPNQBD-INIZCTEOSA-N 0 0 494.016 6.554 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2cc(Br)ccc2OC)cc1 ZINC000022754489 555953442 /nfs/dbraw/zinc/95/34/42/555953442.db2.gz LPCLLAFWSOXVSM-IZZDOVSWSA-N 0 0 495.373 5.276 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cc1 ZINC000022755642 555953657 /nfs/dbraw/zinc/95/36/57/555953657.db2.gz BAJRZHOEUKOVPH-UHFFFAOYSA-N 0 0 495.879 5.923 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1 ZINC000022755730 555953739 /nfs/dbraw/zinc/95/37/39/555953739.db2.gz WJRGXHCYKQXPND-IBGZPJMESA-N 0 0 496.007 5.426 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(I)cc4)cc3)nc2c1 ZINC000022755863 555954122 /nfs/dbraw/zinc/95/41/22/555954122.db2.gz FJAWSRRJWCBHSE-OAHLLOKOSA-N 0 0 496.348 6.865 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)c4cc5ccccc5o4)cc3)o2)cc1Cl ZINC000022757257 555954375 /nfs/dbraw/zinc/95/43/75/555954375.db2.gz MQVMHSCNKQQHCF-FYWRMAATSA-N 0 0 496.950 7.559 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(Cl)c2Cl)cc1 ZINC000022757604 555954377 /nfs/dbraw/zinc/95/43/77/555954377.db2.gz GYCLWJKKLNNDHT-UHFFFAOYSA-N 0 0 497.205 7.324 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)n(-c2nc3ccccc3s2)n1)N1N=CC[C@H]1c1ccccc1 ZINC000022756690 555954386 /nfs/dbraw/zinc/95/43/86/555954386.db2.gz XDVLNCTZVVLBOG-NRFANRHFSA-N 0 0 496.621 5.596 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022818372 555954731 /nfs/dbraw/zinc/95/47/31/555954731.db2.gz OWISEJNHHIGIRW-UHFFFAOYSA-N 0 0 497.831 5.785 40 0 JKABRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc2ccccc2c1 ZINC000022757832 555954785 /nfs/dbraw/zinc/95/47/85/555954785.db2.gz AIHOMGAPDRRNOZ-UHFFFAOYSA-N 0 0 497.467 6.114 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2c(C)cc(C)cc2Br)cc1 ZINC000022757690 555954815 /nfs/dbraw/zinc/95/48/15/555954815.db2.gz HIDVULBNPSCVGR-UHFFFAOYSA-N 0 0 497.389 5.250 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3n2)cc1 ZINC000022818654 555955003 /nfs/dbraw/zinc/95/50/03/555955003.db2.gz AXIDMMFBSOMHCD-UHFFFAOYSA-N 0 0 498.414 6.143 40 0 JKABRN CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2Cl)CC1 ZINC000022818635 555955045 /nfs/dbraw/zinc/95/50/45/555955045.db2.gz UQEIDZRUZJJKNE-JXMROGBWSA-N 0 0 498.410 5.882 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(I)ccc3Cl)cc2s1 ZINC000022821194 555955393 /nfs/dbraw/zinc/95/53/93/555955393.db2.gz 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COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2cccc(OC)c2)c1 ZINC000012476239 555983698 /nfs/dbraw/zinc/98/36/98/555983698.db2.gz XGGCSZGZGHFOES-MHZLTWQESA-N 0 0 492.641 5.531 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)c1 ZINC000012476408 555983716 /nfs/dbraw/zinc/98/37/16/555983716.db2.gz QLZBZPNSGRLHBE-RUZDIDTESA-N 0 0 482.671 5.580 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)C2CCCC2)c(OC)c1 ZINC000012476688 555983944 /nfs/dbraw/zinc/98/39/44/555983944.db2.gz PGQAVHGWDCFNJY-SANMLTNESA-N 0 0 484.662 5.269 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c1 ZINC000012476965 555983969 /nfs/dbraw/zinc/98/39/69/555983969.db2.gz CUQLKUKUPIKPJY-AREMUKBSSA-N 0 0 477.630 5.308 40 0 JKABRN O=C(Cc1cccs1)N(CCC1=CCCCC1)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000012477108 555983972 /nfs/dbraw/zinc/98/39/72/555983972.db2.gz ZCMFMGBDSWAQFE-AREMUKBSSA-N 0 0 465.663 5.595 40 0 JKABRN O=C(Cc1cccs1)N(C[C@H]1CCCO1)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 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556038369 /nfs/dbraw/zinc/03/83/69/556038369.db2.gz RCIMKKUMMKTBET-HSZRJFAPSA-N 0 0 454.039 5.607 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000015895693 556062025 /nfs/dbraw/zinc/06/20/25/556062025.db2.gz BQSNTWVQZXPLBK-UHFFFAOYSA-N 0 0 451.331 5.055 40 0 JKABRN COc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1OC ZINC000023643555 556081519 /nfs/dbraw/zinc/08/15/19/556081519.db2.gz DHGXILLEKXFXEX-UHFFFAOYSA-N 0 0 465.962 5.580 40 0 JKABRN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000012600719 556090374 /nfs/dbraw/zinc/09/03/74/556090374.db2.gz DNHXEOSGRONDBD-NJDAHSKKSA-N 0 0 482.738 7.018 40 0 JKABRN Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2cc3cc4ccc(C)cc4nc3s2)cc1 ZINC000012635386 556094361 /nfs/dbraw/zinc/09/43/61/556094361.db2.gz CAXBRZCJVIGIAY-UHFFFAOYSA-N 0 0 457.599 5.772 40 0 JKABRN Cc1ccc([C@H](C(=O)NCc2cccs2)N(C(=O)c2cccs2)c2cccc(C)c2)cc1 ZINC000012635736 556094711 /nfs/dbraw/zinc/09/47/11/556094711.db2.gz RJVVYCAKGMPRBS-XMMPIXPASA-N 0 0 460.624 6.131 40 0 JKABRN Cc1ccc([C@@H](C(=O)NCc2cccs2)N(C(=O)c2cccs2)c2ccc(F)cc2)cc1 ZINC000012635785 556094750 /nfs/dbraw/zinc/09/47/50/556094750.db2.gz ZILWSPYZRZIMFL-QHCPKHFHSA-N 0 0 464.587 5.962 40 0 JKABRN CC1(C)Cc2sc(NC(=O)CSc3nc(C4CC4)nc4sc5c(c43)CCCC5)nc2C(=O)C1 ZINC000012636251 556095062 /nfs/dbraw/zinc/09/50/62/556095062.db2.gz RSVSIQCOPWTBCY-UHFFFAOYSA-N 0 0 498.699 5.790 40 0 JKABRN C[C@@H]1CCc2c(sc3nc(C45CC6CC(CC(C6)C4)C5)nc(SCC(=O)N4CCCCC4)c23)C1 ZINC000012636458 556095082 /nfs/dbraw/zinc/09/50/82/556095082.db2.gz FBRPOCWECIMVNA-LREROPASSA-N 0 0 495.758 6.389 40 0 JKABRN C[C@@H]1CCc2c(sc3nc(C45CC6CC(CC(C6)C4)C5)nc(SCC(=O)N4CCCC4)c32)C1 ZINC000012636491 556095088 /nfs/dbraw/zinc/09/50/88/556095088.db2.gz JOOQVLCRDJSFRG-UYTITELCSA-N 0 0 481.731 5.998 40 0 JKABRN Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2cc3cc4ccc(C)cc4nc3s2)cc1 ZINC000012635916 556095091 /nfs/dbraw/zinc/09/50/91/556095091.db2.gz CURCMUICCXEZKY-UHFFFAOYSA-N 0 0 471.626 6.162 40 0 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/nfs/dbraw/zinc/09/67/42/556096742.db2.gz GCMMIODBWKFUAE-UHFFFAOYSA-N 0 0 487.024 6.801 40 0 JKABRN CCOc1ccc(C(=O)N(Cc2ccccc2Cl)Cc2cc3cc(CC)ccc3[nH]c2=O)cc1 ZINC000012644058 556096761 /nfs/dbraw/zinc/09/67/61/556096761.db2.gz LZJYLIFQDGICJZ-UHFFFAOYSA-N 0 0 474.988 5.985 40 0 JKABRN Cc1cc(C)cc(NC(=O)NC2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000012644534 556097188 /nfs/dbraw/zinc/09/71/88/556097188.db2.gz VGUYVYHBRURNKU-UHFFFAOYSA-N 0 0 482.934 5.200 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1 ZINC000012644348 556097239 /nfs/dbraw/zinc/09/72/39/556097239.db2.gz YJRIMLXNOHGZNF-UHFFFAOYSA-N 0 0 475.386 5.750 40 0 JKABRN COc1ccc(CN(C(=O)CSc2nc3c(C)ccc(C)c3cc2C)c2ccc(F)cc2)cc1 ZINC000012644948 556097391 /nfs/dbraw/zinc/09/73/91/556097391.db2.gz VGQUHJANQDJZLF-UHFFFAOYSA-N 0 0 474.601 6.633 40 0 JKABRN CC(C)(C)c1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000012645608 556097726 /nfs/dbraw/zinc/09/77/26/556097726.db2.gz JFVRUMLOYHMUJG-UHFFFAOYSA-N 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COc1cccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)c1 ZINC000012707253 556103772 /nfs/dbraw/zinc/10/37/72/556103772.db2.gz FROLOEYTUSXJMV-UHFFFAOYSA-N 0 0 477.567 5.579 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(CCc3ccc(OC)c(OC)c3)C(=O)NC3CCCCC3)cc2c1 ZINC000012707083 556103834 /nfs/dbraw/zinc/10/38/34/556103834.db2.gz NTZPZGAEXGDRPE-UHFFFAOYSA-N 0 0 491.632 5.195 40 0 JKABRN CCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(OC)c(OC)c3)=NN2)cc1 ZINC000012707582 556104140 /nfs/dbraw/zinc/10/41/40/556104140.db2.gz XSTHHXUSAWEFKF-UHFFFAOYSA-N 0 0 480.362 5.299 40 0 JKABRN O=C(Cn1nc(-c2ccc(NC(=O)c3ccccc3F)cc2)nc1-c1ccccc1)NC1CCCCC1 ZINC000012712199 556104410 /nfs/dbraw/zinc/10/44/10/556104410.db2.gz FJVOMKNEKKJXEO-UHFFFAOYSA-N 0 0 497.574 5.452 40 0 JKABRN COc1ccccc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1Cl ZINC000012711032 556104415 /nfs/dbraw/zinc/10/44/15/556104415.db2.gz BTJSUOJHRQEQDF-UHFFFAOYSA-N 0 0 491.931 5.153 40 0 JKABRN COCCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000012710839 556104424 /nfs/dbraw/zinc/10/44/24/556104424.db2.gz URSDDRNQRGFOAL-UHFFFAOYSA-N 0 0 479.627 5.178 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n(CC(=O)NC4CCCCC4)n3)cc2)cc1 ZINC000012712204 556104490 /nfs/dbraw/zinc/10/44/90/556104490.db2.gz HPLZXTXOMYKHSG-UHFFFAOYSA-N 0 0 493.611 5.622 40 0 JKABRN Cc1cccc(N(C(=O)c2ccc3c(c2)OCCO3)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000012714806 556104710 /nfs/dbraw/zinc/10/47/10/556104710.db2.gz SETZVXBOMGJRQT-VWLOTQADSA-N 0 0 476.548 5.208 40 0 JKABRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccc(C)cc2)cc1 ZINC000012712676 556104726 /nfs/dbraw/zinc/10/47/26/556104726.db2.gz OVMUDPZXHUZLHS-GDLZYMKVSA-N 0 0 497.643 5.239 40 0 JKABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(C)c2)cc1 ZINC000012712692 556104729 /nfs/dbraw/zinc/10/47/29/556104729.db2.gz OTIQJKVKFYYAND-LJAQVGFWSA-N 0 0 497.643 5.293 40 0 JKABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)cc(C)c2)cc1 ZINC000012712685 556104735 /nfs/dbraw/zinc/10/47/35/556104735.db2.gz UPKCYHRCFXTYQA-LJAQVGFWSA-N 0 0 497.643 5.293 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1Cl ZINC000012714337 556104768 /nfs/dbraw/zinc/10/47/68/556104768.db2.gz XOBBZPDQEWZCLJ-UHFFFAOYSA-N 0 0 495.044 5.540 40 0 JKABRN Cc1cccc(N(C(=O)c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000012714801 556104782 /nfs/dbraw/zinc/10/47/82/556104782.db2.gz SETZVXBOMGJRQT-RUZDIDTESA-N 0 0 476.548 5.208 40 0 JKABRN O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc21)OCc1ccc2c(c1)OCO2 ZINC000012716351 556105117 /nfs/dbraw/zinc/10/51/17/556105117.db2.gz MFMDGEFNVYRKBS-UHFFFAOYSA-N 0 0 466.465 5.139 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCC1 ZINC000012715613 556105185 /nfs/dbraw/zinc/10/51/85/556105185.db2.gz LRSCJZIIYWARKA-MUUNZHRXSA-N 0 0 487.619 6.396 40 0 JKABRN O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc21)Nc1ccccc1Br ZINC000012716343 556105195 /nfs/dbraw/zinc/10/51/95/556105195.db2.gz WWEAZPLQFZRRCA-UHFFFAOYSA-N 0 0 486.341 6.068 40 0 JKABRN CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016000949 556105660 /nfs/dbraw/zinc/10/56/60/556105660.db2.gz GEQAKVQGBSMXMJ-DOIPELPJSA-N 0 0 469.368 5.124 40 0 JKABRN Cc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000012834086 556116166 /nfs/dbraw/zinc/11/61/66/556116166.db2.gz ZZEHTSKEWVJGDG-UHFFFAOYSA-N 0 0 479.967 6.326 40 0 JKABRN Cc1ccc(C(=O)CN2c3sc4c(c3C(c3ccccc3Cl)=NCC2=O)CCCC4)cc1 ZINC000012833982 556116174 /nfs/dbraw/zinc/11/61/74/556116174.db2.gz AIIUYKDHXLUEEH-UHFFFAOYSA-N 0 0 463.002 5.656 40 0 JKABRN Cc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000012834110 556116439 /nfs/dbraw/zinc/11/64/39/556116439.db2.gz SZFKNWYJGFLXOH-UHFFFAOYSA-N 0 0 459.977 6.058 40 0 JKABRN CC(=O)c1ccc(NC(=O)CCSc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2)cc1 ZINC000012844473 556117130 /nfs/dbraw/zinc/11/71/30/556117130.db2.gz AYZUREHNNXISMA-UHFFFAOYSA-N 0 0 489.475 5.215 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 ZINC000012871217 556121170 /nfs/dbraw/zinc/12/11/70/556121170.db2.gz QLQJQZBHWRESFM-HHHXNRCGSA-N 0 0 496.636 6.042 40 0 JKABRN CC1(C)Oc2ccc(C(=O)Nc3ccc(C4CCCCC4)cc3)cc2N(Cc2ccc(F)cc2)C1=O ZINC000012875569 556121858 /nfs/dbraw/zinc/12/18/58/556121858.db2.gz OCPYQOVHVVGVKU-UHFFFAOYSA-N 0 0 486.587 6.830 40 0 JKABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 ZINC000024107285 556122050 /nfs/dbraw/zinc/12/20/50/556122050.db2.gz ZEQMKJMKZMYOPL-UHFFFAOYSA-N 0 0 491.824 5.085 40 0 JKABRN O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)Nc1ccc(N2CCCCC2)cc1 ZINC000012878527 556122540 /nfs/dbraw/zinc/12/25/40/556122540.db2.gz KYZYRGCTCGDGIU-UHFFFAOYSA-N 0 0 467.595 5.318 40 0 JKABRN O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)N1CCC(Cc2ccccc2)CC1 ZINC000012878556 556122547 /nfs/dbraw/zinc/12/25/47/556122547.db2.gz IIJWDOWFALKBAY-UHFFFAOYSA-N 0 0 466.607 5.170 40 0 JKABRN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2[C@H]2CCC[C@@H](C)[C@@H]2C)c(C)n1CCC(C)C ZINC000016044477 556124360 /nfs/dbraw/zinc/12/43/60/556124360.db2.gz WCIJOUVFVZHBQR-DYRZZGSRSA-N 0 0 493.717 6.833 40 0 JKABRN Cc1cccc2c(C)cc(SCC(=O)N3N=C4/C(=C/c5ccco5)CCC[C@H]4[C@H]3c3ccco3)nc12 ZINC000016044544 556124573 /nfs/dbraw/zinc/12/45/73/556124573.db2.gz WBJYOIZPYCGELP-UNYKDAJMSA-N 0 0 497.620 6.953 40 0 JKABRN COc1ccc(/N=c2\scc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccccc2)cc1 ZINC000016045127 556125920 /nfs/dbraw/zinc/12/59/20/556125920.db2.gz LLOZSRKPTMRKPZ-RQZHXJHFSA-N 0 0 462.571 5.532 40 0 JKABRN CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000016116079 556126938 /nfs/dbraw/zinc/12/69/38/556126938.db2.gz QQJAOWZHNWOEHA-WJSCRPBKSA-N 0 0 475.544 5.287 40 0 JKABRN CC(=O)C1=NN(c2ccccc2)[C@]2(O1)SC(c1ccccc1)(c1ccccc1)c1ccccc12 ZINC000016138899 556127114 /nfs/dbraw/zinc/12/71/14/556127114.db2.gz KAJPZWOLQVFHIE-GDLZYMKVSA-N 0 0 462.574 6.275 40 0 JKABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000016137632 556127186 /nfs/dbraw/zinc/12/71/86/556127186.db2.gz XVLOGMUOGIHPEJ-NKKZGIIWSA-N 0 0 496.740 5.329 40 0 JKABRN CCC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000016161590 556127237 /nfs/dbraw/zinc/12/72/37/556127237.db2.gz KNYBQFIMHFSSGP-HHHXNRCGSA-N 0 0 474.992 6.179 40 0 JKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)S2)cc1 ZINC000016161902 556127411 /nfs/dbraw/zinc/12/74/11/556127411.db2.gz HPBVBJNAUDTMJC-GJFKPFFXSA-N 0 0 495.442 6.190 40 0 JKABRN CCc1ccc(NC(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)Nc3ccc(CC)cc3)c2)cc1 ZINC000016161773 556127418 /nfs/dbraw/zinc/12/74/18/556127418.db2.gz FIOCOEFWOSGSBP-UHFFFAOYSA-N 0 0 486.660 6.925 40 0 JKABRN CCc1ccc(OCC(=O)NC(=S)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000016161999 556127432 /nfs/dbraw/zinc/12/74/32/556127432.db2.gz VOZYGXOADKNNHW-SFHVURJKSA-N 0 0 487.625 6.463 40 0 JKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)S2)cc1 ZINC000016161906 556127507 /nfs/dbraw/zinc/12/75/07/556127507.db2.gz LEMNWIOGFOFWJK-PLQXQRLBSA-N 0 0 485.436 6.734 40 0 JKABRN CCc1ccc2oc(-c3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3O)nc2c1 ZINC000016162231 556127726 /nfs/dbraw/zinc/12/77/26/556127726.db2.gz GJSMODWRBVOFPI-UHFFFAOYSA-N 0 0 487.353 6.931 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21 ZINC000016162932 556128095 /nfs/dbraw/zinc/12/80/95/556128095.db2.gz GCAZCLWBXSXNFB-UHFFFAOYSA-N 0 0 491.613 5.007 40 0 JKABRN CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016188148 556128326 /nfs/dbraw/zinc/12/83/26/556128326.db2.gz YSACJBOIQQQMQX-UHFFFAOYSA-N 0 0 465.358 5.045 40 0 JKABRN COC(=O)c1nc(Oc2nc(C(=O)OC)c(-c3ccccc3)s2)sc1-c1ccccc1 ZINC000016189912 556128636 /nfs/dbraw/zinc/12/86/36/556128636.db2.gz UPQCVKOWRGBJEO-UHFFFAOYSA-N 0 0 452.513 5.299 40 0 JKABRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1Br ZINC000016226656 556129831 /nfs/dbraw/zinc/12/98/31/556129831.db2.gz IFLCHTIQUNJSLU-XVNBXDOJSA-N 0 0 460.180 5.291 40 0 JKABRN COc1ccc(C(=O)Nc2ccccc2C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000016216364 556129908 /nfs/dbraw/zinc/12/99/08/556129908.db2.gz XLLFAGWYEQEMEW-MHZLTWQESA-N 0 0 499.950 6.382 40 0 JKABRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2Cl)cc1OC ZINC000016227304 556130194 /nfs/dbraw/zinc/13/01/94/556130194.db2.gz SBUQZOGSTPNKIG-JOCHJYFZSA-N 0 0 496.991 5.748 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)n2)cc1Br ZINC000016226746 556130209 /nfs/dbraw/zinc/13/02/09/556130209.db2.gz SQTPWMHCSGDRET-UHFFFAOYSA-N 0 0 496.839 5.290 40 0 JKABRN COc1ccc2nc(Cl)c([C@H]3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)cc2c1 ZINC000016227771 556130437 /nfs/dbraw/zinc/13/04/37/556130437.db2.gz RIZDMEBNQHDNCB-OAQYLSRUSA-N 0 0 467.934 5.030 40 0 JKABRN COc1ccccc1NC(=O)c1sc2nc(-c3ccccc3Cl)c3c(c2c1N)CCCC3 ZINC000016248135 556130827 /nfs/dbraw/zinc/13/08/27/556130827.db2.gz ZULHSKKTSGXSSA-UHFFFAOYSA-N 0 0 463.990 6.339 40 0 JKABRN Cc1c(NC(=O)Nc2cccc(C(F)(F)F)c2)cccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016250088 556131387 /nfs/dbraw/zinc/13/13/87/556131387.db2.gz FOMKWOPADJUDDU-UHFFFAOYSA-N 0 0 496.411 7.321 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000016268965 556131581 /nfs/dbraw/zinc/13/15/81/556131581.db2.gz HLOOSDZXDQKNSL-UHFFFAOYSA-N 0 0 465.582 5.626 40 0 JKABRN COCc1cc(C)nc(N=NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C#N ZINC000016267780 556131643 /nfs/dbraw/zinc/13/16/43/556131643.db2.gz AKIZYOTYRGVRNT-UHFFFAOYSA-N 0 0 455.345 5.740 40 0 JKABRN Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OC(c3ccccc3)c3ccccc3)c1)C2=O ZINC000016266120 556131648 /nfs/dbraw/zinc/13/16/48/556131648.db2.gz SPCDBHDVSWRGHR-UHFFFAOYSA-N 0 0 498.538 6.290 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1 ZINC000016267493 556131655 /nfs/dbraw/zinc/13/16/55/556131655.db2.gz PELFUZSBLSEWQB-UHFFFAOYSA-N 0 0 472.994 5.317 40 0 JKABRN Cc1cc(C)c(NC(=S)Nc2ccc(Cl)cc2)c(C)c1NC(=S)Nc1ccc(Cl)cc1 ZINC000016267698 556131658 /nfs/dbraw/zinc/13/16/58/556131658.db2.gz ORBCIQFRSNMGJE-UHFFFAOYSA-N 0 0 489.497 7.536 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000016282330 556132240 /nfs/dbraw/zinc/13/22/40/556132240.db2.gz HNORXIOIGOBFRK-UHFFFAOYSA-N 0 0 456.933 5.861 40 0 JKABRN Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000016282434 556132453 /nfs/dbraw/zinc/13/24/53/556132453.db2.gz YOMXSVDQBKTPRZ-UHFFFAOYSA-N 0 0 474.731 6.400 40 0 JKABRN Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000016282443 556132485 /nfs/dbraw/zinc/13/24/85/556132485.db2.gz CFSULMPQASQFFD-UHFFFAOYSA-N 0 0 473.838 6.112 40 0 JKABRN Cc1cc(NC(=O)Nc2cccc3ccccc32)ccc1NC(=O)Nc1cccc2ccccc21 ZINC000016282584 556132501 /nfs/dbraw/zinc/13/25/01/556132501.db2.gz UVJXENJMLLQHBM-UHFFFAOYSA-N 0 0 460.537 7.589 40 0 JKABRN COc1c(Cl)cc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1Cl ZINC000016284383 556132958 /nfs/dbraw/zinc/13/29/58/556132958.db2.gz VNVWEJKDNVXIAS-UHFFFAOYSA-N 0 0 477.351 6.450 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Cl ZINC000016284302 556133025 /nfs/dbraw/zinc/13/30/25/556133025.db2.gz YZNAUGQJUVJPPJ-UHFFFAOYSA-N 0 0 496.828 6.952 40 0 JKABRN COc1cc2ccccc2cc1C(=O)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000016284407 556133053 /nfs/dbraw/zinc/13/30/53/556133053.db2.gz DVJHRSXXGIZACK-UHFFFAOYSA-N 0 0 458.521 6.296 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000016284446 556133091 /nfs/dbraw/zinc/13/30/91/556133091.db2.gz OJZZFKHYKQGEQJ-UHFFFAOYSA-N 0 0 484.559 6.713 40 0 JKABRN COc1ccccc1C(=O)NC(=S)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000016284570 556133265 /nfs/dbraw/zinc/13/32/65/556133265.db2.gz SFKMTKULRGFPPG-UHFFFAOYSA-N 0 0 467.554 5.018 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000016284530 556133293 /nfs/dbraw/zinc/13/32/93/556133293.db2.gz AQQJBKVARVLLJW-UHFFFAOYSA-N 0 0 493.636 6.306 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000016284547 556133365 /nfs/dbraw/zinc/13/33/65/556133365.db2.gz VWKYBKXSAROZNA-UHFFFAOYSA-N 0 0 471.973 5.662 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000016291123 556133598 /nfs/dbraw/zinc/13/35/98/556133598.db2.gz XMSNTBLRLQYIGN-UHFFFAOYSA-N 0 0 464.569 6.331 40 0 JKABRN Cc1ccc(OCC(=O)Nc2nc3ccc(NC(=O)COc4ccc(C)cc4C)cc3s2)c(C)c1 ZINC000016285037 556133650 /nfs/dbraw/zinc/13/36/50/556133650.db2.gz VFDTYFAYNJRFCX-UHFFFAOYSA-N 0 0 489.597 5.565 40 0 JKABRN O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000024522699 556133692 /nfs/dbraw/zinc/13/36/92/556133692.db2.gz UUTDJIVSUUSJRD-UHFFFAOYSA-N 0 0 452.297 5.399 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cc(C)ccc2C)cc1 ZINC000016309857 556134283 /nfs/dbraw/zinc/13/42/83/556134283.db2.gz PEFZIGXBVAFPJJ-UHFFFAOYSA-N 0 0 458.583 5.599 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000016293433 556134324 /nfs/dbraw/zinc/13/43/24/556134324.db2.gz WVYQAUHCZMHEFE-UHFFFAOYSA-N 0 0 465.358 5.120 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000016293513 556134339 /nfs/dbraw/zinc/13/43/39/556134339.db2.gz JKPUQMKSQNDXJR-UHFFFAOYSA-N 0 0 465.358 5.120 40 0 JKABRN Cc1ccc(-c2nc(SC(=O)c3ccccc3)c(Nc3ccc(Br)cc3)s2)cc1 ZINC000016311179 556134544 /nfs/dbraw/zinc/13/45/44/556134544.db2.gz RGZPVBOYDDZQQV-UHFFFAOYSA-N 0 0 481.440 7.557 40 0 JKABRN CC(=O)N[C@H](CCCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)C(=O)[O-] ZINC000016320976 556134839 /nfs/dbraw/zinc/13/48/39/556134839.db2.gz MZTRKQYPNDVHLB-MUUNZHRXSA-O 0 0 479.600 5.735 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1Cl ZINC000016312738 556134877 /nfs/dbraw/zinc/13/48/77/556134877.db2.gz UXNHVJVNYDKHTF-UHFFFAOYSA-N 0 0 486.000 5.971 40 0 JKABRN CC(=O)N[C@@H](CCCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)C(=O)[O-] ZINC000016320974 556134911 /nfs/dbraw/zinc/13/49/11/556134911.db2.gz MZTRKQYPNDVHLB-NDEPHWFRSA-O 0 0 479.600 5.735 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000016322394 556135419 /nfs/dbraw/zinc/13/54/19/556135419.db2.gz DQEIOMCTGACAPO-MRXNPFEDSA-N 0 0 478.420 5.094 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(NC(=O)c4cccc(Cl)c4)c3)o2)cc1Cl ZINC000016346758 556135675 /nfs/dbraw/zinc/13/56/75/556135675.db2.gz XFFFLNBHNJKZLE-ACCUITESSA-N 0 0 491.374 7.466 40 0 JKABRN CC(C)(NC(=O)NCc1ccc(F)cc1)c1cccc(C(C)(C)NC(=O)NCc2ccc(F)cc2)c1 ZINC000016323375 556135677 /nfs/dbraw/zinc/13/56/77/556135677.db2.gz QULZIVFBJFJBRO-UHFFFAOYSA-N 0 0 494.586 5.434 40 0 JKABRN Cc1cc2nc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3)oc2c(C)c1 ZINC000016346656 556135714 /nfs/dbraw/zinc/13/57/14/556135714.db2.gz WNQPSMVHNWCMDW-ACCUITESSA-N 0 0 482.967 7.985 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(-c5ccccc5Cl)nc4c3)o2)cc1Cl ZINC000016346726 556135746 /nfs/dbraw/zinc/13/57/46/556135746.db2.gz FMERUVSUSZPSCM-JLHYYAGUSA-N 0 0 489.358 8.022 40 0 JKABRN CC(C)(c1ccccc1)c1ccc(OCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000016323410 556135750 /nfs/dbraw/zinc/13/57/50/556135750.db2.gz JWVRJMJSOPMDIY-UHFFFAOYSA-N 0 0 467.359 5.580 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(-c5cccnc5)nc4c3)o2)cc1Cl ZINC000016346732 556135765 /nfs/dbraw/zinc/13/57/65/556135765.db2.gz DJCMVMFDERWRLI-DHZHZOJOSA-N 0 0 455.901 6.764 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4nc5cccnc5o4)cc3)o2)cc1Cl ZINC000016346671 556135773 /nfs/dbraw/zinc/13/57/73/556135773.db2.gz PLSOQUNLRJYCKC-ACCUITESSA-N 0 0 455.901 6.764 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(-c5ccc(F)cc5)nc4c3)o2)cc1Cl ZINC000016346713 556135786 /nfs/dbraw/zinc/13/57/86/556135786.db2.gz HBTVXBBYEYIMMW-JLHYYAGUSA-N 0 0 472.903 7.508 40 0 JKABRN Cc1ccc2nc(Nc3cccc(C(F)(F)F)c3)c(Nc3cccc(C(F)(F)F)c3)nc2c1 ZINC000016348369 556135975 /nfs/dbraw/zinc/13/59/75/556135975.db2.gz RBDKMTANTAOVSE-UHFFFAOYSA-N 0 0 462.397 7.463 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4nc5cccnc5o4)ccc3C)o2)cc1Cl ZINC000016347305 556135979 /nfs/dbraw/zinc/13/59/79/556135979.db2.gz CGNDOBJSSGRSCO-ZRDIBKRKSA-N 0 0 469.928 7.072 40 0 JKABRN Cc1ccc2sc(-c3ccc(NCc4cccc(OCC(=O)N5CCCCC5)c4)cc3)nc2c1 ZINC000016348471 556136022 /nfs/dbraw/zinc/13/60/22/556136022.db2.gz POYWLEPVBDHCEQ-UHFFFAOYSA-N 0 0 471.626 6.275 40 0 JKABRN Cc1ccc(-n2ncc(-c3nnnn3-c3ccc(Cl)cc3)c2-c2cccs2)cc1Cl ZINC000016346925 556136028 /nfs/dbraw/zinc/13/60/28/556136028.db2.gz RJVBUYCCBULXHL-UHFFFAOYSA-N 0 0 453.358 5.859 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(-c4nc5ncccc5o4)c3C)o2)cc1Cl ZINC000016346796 556136045 /nfs/dbraw/zinc/13/60/45/556136045.db2.gz PZDCANSWWUZVMR-ACCUITESSA-N 0 0 469.928 7.072 40 0 JKABRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000016347694 556136054 /nfs/dbraw/zinc/13/60/54/556136054.db2.gz XTWJPFWPXUGJHB-UHFFFAOYSA-N 0 0 462.578 6.332 40 0 JKABRN Cc1ccc2ccc(C(=O)CCCCCCCCC(=O)c3ccc4ccc(C)nc4c3O)c(O)c2n1 ZINC000016348843 556136318 /nfs/dbraw/zinc/13/63/18/556136318.db2.gz UHKHWBNKOBFKEY-UHFFFAOYSA-N 0 0 484.596 6.997 40 0 JKABRN Cc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)ccc3o2)c1 ZINC000016349871 556136337 /nfs/dbraw/zinc/13/63/37/556136337.db2.gz AKBJPPKTDBQEQH-JLHYYAGUSA-N 0 0 468.940 7.677 40 0 JKABRN Cc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000016349071 556136347 /nfs/dbraw/zinc/13/63/47/556136347.db2.gz WEMVEHMXBUMDON-UHFFFAOYSA-N 0 0 451.555 5.317 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3)oc2c1 ZINC000016348680 556136384 /nfs/dbraw/zinc/13/63/84/556136384.db2.gz MMPLLYCRUDKFMH-SDNWHVSQSA-N 0 0 468.940 7.677 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1 ZINC000016362614 556136576 /nfs/dbraw/zinc/13/65/76/556136576.db2.gz LLRYYFDGZPGIJE-ZHACJKMWSA-N 0 0 455.341 6.215 40 0 JKABRN Cc1cccc2cc([C@H]3CC(c4cccs4)=NN3S(=O)(=O)c3ccccc3)c(Cl)nc12 ZINC000016362492 556136579 /nfs/dbraw/zinc/13/65/79/556136579.db2.gz UAZJZXDSJBLZGA-HXUWFJFHSA-N 0 0 468.003 5.798 40 0 JKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000016386304 556136863 /nfs/dbraw/zinc/13/68/63/556136863.db2.gz IXIQRSHGJHJTLX-UHFFFAOYSA-N 0 0 452.354 6.229 40 0 JKABRN O=C(Nc1ccc(Cl)cc1Cl)N1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000016385061 556136925 /nfs/dbraw/zinc/13/69/25/556136925.db2.gz SOPUNIHXGKCQOI-UHFFFAOYSA-N 0 0 476.191 6.072 40 0 JKABRN Clc1cccc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Br)cc2)c1 ZINC000016398903 556137245 /nfs/dbraw/zinc/13/72/45/556137245.db2.gz CEUXLCWSVPTFKV-NRFANRHFSA-N 0 0 490.626 7.221 40 0 JKABRN O=C(Nc1cccc(Cl)c1)OCCSCCSCCOC(=O)Nc1cccc(Cl)c1 ZINC000016399021 556137256 /nfs/dbraw/zinc/13/72/56/556137256.db2.gz IIDACNJSZPYFOO-UHFFFAOYSA-N 0 0 489.446 6.257 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000016399413 556137510 /nfs/dbraw/zinc/13/75/10/556137510.db2.gz YDHYICIEXLMNGL-VQHVLOKHSA-N 0 0 460.342 5.365 40 0 JKABRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000016406553 556138306 /nfs/dbraw/zinc/13/83/06/556138306.db2.gz CZICBDMQLDPQHO-UHFFFAOYSA-N 0 0 455.510 5.101 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000016401276 556138373 /nfs/dbraw/zinc/13/83/73/556138373.db2.gz OAODJRZDJOUGJA-UHFFFAOYSA-N 0 0 462.512 5.607 40 0 JKABRN O=S(=O)(c1ccc(Cl)cc1)N1C(=S)NC2=C(CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000016401253 556138381 /nfs/dbraw/zinc/13/83/81/556138381.db2.gz OKHDYTPRLURSCL-LJQANCHMSA-N 0 0 453.416 5.442 40 0 JKABRN Nc1c2ccc(-c3ccc(Cl)cc3Cl)nc2sc1C(=O)Nc1ccc(Br)cc1 ZINC000016428493 556138918 /nfs/dbraw/zinc/13/89/18/556138918.db2.gz NOEGALTZGUJKSR-UHFFFAOYSA-N 0 0 493.213 6.867 40 0 JKABRN O=C(NCc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000016449593 556139458 /nfs/dbraw/zinc/13/94/58/556139458.db2.gz WRKGDWOSJWXIHJ-UHFFFAOYSA-N 0 0 498.197 7.266 40 0 JKABRN O=C(N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)OCc1ccccc1Cl ZINC000016449814 556139463 /nfs/dbraw/zinc/13/94/63/556139463.db2.gz XAELNXNEZOZYJE-AWEZNQCLSA-N 0 0 487.008 6.137 40 0 JKABRN O=C(/N=c1\ss/c(=N\c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000016451253 556139787 /nfs/dbraw/zinc/13/97/87/556139787.db2.gz ARMNMMJQRJMFHP-VQINFILPSA-N 0 0 458.395 5.881 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000016450718 556139800 /nfs/dbraw/zinc/13/98/00/556139800.db2.gz YCGDPOBUYLOHJS-OQKWZONESA-N 0 0 478.957 5.913 40 0 JKABRN O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000016477639 556139990 /nfs/dbraw/zinc/13/99/90/556139990.db2.gz NSPGQIDVQOMXFY-UHFFFAOYSA-N 0 0 473.435 7.357 40 0 JKABRN O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000016477645 556139996 /nfs/dbraw/zinc/13/99/96/556139996.db2.gz MLRCNNDDEZJYLO-UHFFFAOYSA-N 0 0 463.429 7.901 40 0 JKABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000016480442 556140309 /nfs/dbraw/zinc/14/03/09/556140309.db2.gz MZSJMAMCRLOXEM-UHFFFAOYSA-N 0 0 478.614 5.228 40 0 JKABRN Nc1c2cc3c(nc2sc1C(=O)Nc1cccc(Cl)c1Cl)CCN(Cc1ccccc1)C3 ZINC000016479900 556140339 /nfs/dbraw/zinc/14/03/39/556140339.db2.gz BRBIUGWWXBKLFN-UHFFFAOYSA-N 0 0 483.424 5.996 40 0 JKABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000016479580 556140361 /nfs/dbraw/zinc/14/03/61/556140361.db2.gz GXMPQFBRTUWBND-UHFFFAOYSA-N 0 0 486.593 5.095 40 0 JKABRN S=C(Nc1ccccc1)N(CCN(C(=S)Nc1ccccc1)c1ccccc1)c1ccccc1 ZINC000016489783 556140591 /nfs/dbraw/zinc/14/05/91/556140591.db2.gz KGUARBJWIZHUQA-UHFFFAOYSA-N 0 0 482.678 6.794 40 0 JKABRN S=C(Nc1ccccc1)Nc1ccc(N(C(=S)Nc2ccccc2)c2ccccc2)cc1 ZINC000016490016 556140615 /nfs/dbraw/zinc/14/06/15/556140615.db2.gz QCASMLARGHESJG-UHFFFAOYSA-N 0 0 454.624 7.031 40 0 JKABRN O[C@@H](COC1CN(c2ccccc2)N(c2ccccc2)C1)Cn1c2ccccc2c2ccccc21 ZINC000016488986 556140644 /nfs/dbraw/zinc/14/06/44/556140644.db2.gz VOBDVRPBWFJAMX-RUZDIDTESA-N 0 0 463.581 5.482 40 0 JKABRN S=C(Nc1ccc(N(C(=S)NC2CCCCC2)c2ccccc2)cc1)NC1CCCCC1 ZINC000016487849 556140645 /nfs/dbraw/zinc/14/06/45/556140645.db2.gz SZDZFHYSLIWYEQ-UHFFFAOYSA-N 0 0 466.720 6.651 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016490404 556140913 /nfs/dbraw/zinc/14/09/13/556140913.db2.gz KKTKSMGLCWULLZ-UHFFFAOYSA-N 0 0 484.883 5.177 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000016490434 556140971 /nfs/dbraw/zinc/14/09/71/556140971.db2.gz GFNJGYMNHCYJIR-UHFFFAOYSA-N 0 0 474.538 5.297 40 0 JKABRN O=C(Nc1nc(NC(=O)c2cccc(Cl)c2)nc(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000016493435 556141529 /nfs/dbraw/zinc/14/15/29/556141529.db2.gz BCHQSBQKMWDLSV-UHFFFAOYSA-N 0 0 464.312 5.350 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000016524881 556141790 /nfs/dbraw/zinc/14/17/90/556141790.db2.gz SGNVFCXLHHZIEL-UHFFFAOYSA-N 0 0 455.288 7.847 40 0 JKABRN O=C(CCC(=O)N1c2ccccc2Sc2ccccc21)N1c2ccccc2Sc2ccccc21 ZINC000016524888 556141889 /nfs/dbraw/zinc/14/18/89/556141889.db2.gz HUUCIUOQQDTRTN-UHFFFAOYSA-N 0 0 480.614 7.426 40 0 JKABRN O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1cc2ccccc2oc1=O ZINC000016525588 556142075 /nfs/dbraw/zinc/14/20/75/556142075.db2.gz ZORUSHIIQZVGLT-UHFFFAOYSA-N 0 0 459.401 5.064 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(Br)ccc1Cl ZINC000016525140 556142089 /nfs/dbraw/zinc/14/20/89/556142089.db2.gz KJIXOOQVRJLBKG-UHFFFAOYSA-N 0 0 485.794 5.773 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1cccc2ccccc21 ZINC000016526250 556142354 /nfs/dbraw/zinc/14/23/54/556142354.db2.gz OOVDSVNYBUOQHZ-UHFFFAOYSA-N 0 0 473.941 6.134 40 0 JKABRN O=C(COc1cccc2ccccc21)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000016545060 556142775 /nfs/dbraw/zinc/14/27/75/556142775.db2.gz VZVFUBUZOLDXBU-UHFFFAOYSA-N 0 0 484.380 6.361 40 0 JKABRN O=C(Nc1ccc(Cc2ccc(NC(=O)n3cnc4ccccc43)cc2)cc1)n1cnc2ccccc21 ZINC000016545617 556143101 /nfs/dbraw/zinc/14/31/01/556143101.db2.gz WOCCCTKYBYKWMT-UHFFFAOYSA-N 0 0 486.535 6.137 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)n2)cc1Br ZINC000016575814 556144855 /nfs/dbraw/zinc/14/48/55/556144855.db2.gz QHPKXKKJFHHFJY-UHFFFAOYSA-N 0 0 490.448 5.831 40 0 JKABRN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000016575997 556144962 /nfs/dbraw/zinc/14/49/62/556144962.db2.gz JZJDZCGLMHTQQO-UHFFFAOYSA-N 0 0 473.564 7.140 40 0 JKABRN C[C@H](OC(=O)Nc1cccc2ccccc21)c1cccc(NC(=O)Nc2cccc3ccccc32)c1 ZINC000016576713 556145205 /nfs/dbraw/zinc/14/52/05/556145205.db2.gz CAPASQLNQQSQPI-FQEVSTJZSA-N 0 0 475.548 7.947 40 0 JKABRN C[C@@H](CCCNC(=S)Nc1ccc(Cl)cc1)CNC(=S)Nc1ccc(Cl)cc1 ZINC000016576286 556145209 /nfs/dbraw/zinc/14/52/09/556145209.db2.gz SDZNIJHKUDQZKK-AWEZNQCLSA-N 0 0 455.480 5.683 40 0 JKABRN COC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000016607923 556145907 /nfs/dbraw/zinc/14/59/07/556145907.db2.gz ADOVWWNHLWCMAN-XMMPIXPASA-N 0 0 462.962 5.434 40 0 JKABRN CCC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000016609925 556146084 /nfs/dbraw/zinc/14/60/84/556146084.db2.gz BYFCIBFADWQOEP-MUUNZHRXSA-N 0 0 465.557 5.753 40 0 JKABRN CCC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000016609927 556146156 /nfs/dbraw/zinc/14/61/56/556146156.db2.gz BYFCIBFADWQOEP-NDEPHWFRSA-N 0 0 465.557 5.753 40 0 JKABRN C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016609573 556146160 /nfs/dbraw/zinc/14/61/60/556146160.db2.gz QVGXCJXVKICBSR-NSHDSACASA-N 0 0 476.191 6.070 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)c3)nc2c1 ZINC000016610685 556146414 /nfs/dbraw/zinc/14/64/14/556146414.db2.gz NNUYGOSWUZHLLV-MRXNPFEDSA-N 0 0 462.977 7.296 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cc(C)ccc4C(C)C)c3)nc2c1 ZINC000016610698 556146433 /nfs/dbraw/zinc/14/64/33/556146433.db2.gz ZEUDJSDPZSYCOU-FQEVSTJZSA-N 0 0 456.586 7.458 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000016610736 556146693 /nfs/dbraw/zinc/14/66/93/556146693.db2.gz PLMAQWLGDMJZLE-OAHLLOKOSA-N 0 0 469.368 7.333 40 0 JKABRN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1Br ZINC000016610789 556146715 /nfs/dbraw/zinc/14/67/15/556146715.db2.gz HSOPGRNFYDPCTL-INIZCTEOSA-N 0 0 493.401 7.422 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000016610944 556146936 /nfs/dbraw/zinc/14/69/36/556146936.db2.gz NLXOOOHWGCXYKT-NSHDSACASA-N 0 0 470.809 6.192 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)c3)nc2c1 ZINC000016610921 556146951 /nfs/dbraw/zinc/14/69/51/556146951.db2.gz XGXDUCQHRHZWMF-MBNYPGIVSA-N 0 0 497.664 7.658 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 ZINC000016610970 556146956 /nfs/dbraw/zinc/14/69/56/556146956.db2.gz QZDVZNPFFHKAFX-QGZVFWFLSA-N 0 0 487.625 6.517 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4ccccc4)c3)nc2c1 ZINC000016610936 556146976 /nfs/dbraw/zinc/14/69/76/556146976.db2.gz JTIXLRSVJFKVEZ-XOVFHRFOSA-N 0 0 455.583 6.535 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(I)c4)c3)nc2c1 ZINC000016610878 556146996 /nfs/dbraw/zinc/14/69/96/556146996.db2.gz MUZWQUXZSPUOJA-OAHLLOKOSA-N 0 0 496.348 6.865 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1 ZINC000016611082 556147213 /nfs/dbraw/zinc/14/72/13/556147213.db2.gz GRKBKCNKYWJIIT-HNNXBMFYSA-N 0 0 478.017 7.097 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4Cl)c3)nc2c1 ZINC000016611026 556147233 /nfs/dbraw/zinc/14/72/33/556147233.db2.gz AVFBWBOHRHOXTQ-INIZCTEOSA-N 0 0 494.016 6.554 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4)c3)nc2c1 ZINC000016611014 556147256 /nfs/dbraw/zinc/14/72/56/556147256.db2.gz NZKBYFKMUTVGNV-QGZVFWFLSA-N 0 0 459.571 5.900 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)nc2c1 ZINC000016611127 556147406 /nfs/dbraw/zinc/14/74/06/556147406.db2.gz FDDYRGWJQHRFLV-OAHLLOKOSA-N 0 0 463.990 6.789 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(Cl)c4Cl)c3)nc2c1 ZINC000016611235 556147716 /nfs/dbraw/zinc/14/77/16/556147716.db2.gz RQKJEVBWRKQWHA-AWEZNQCLSA-N 0 0 498.435 7.442 40 0 JKABRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 ZINC000016611475 556148027 /nfs/dbraw/zinc/14/80/27/556148027.db2.gz TWUMTBKBPBAAGO-TVNKHIRZSA-N 0 0 475.588 6.019 40 0 JKABRN COc1ccc(NC(=O)c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(OC)c1 ZINC000016635163 556148592 /nfs/dbraw/zinc/14/85/92/556148592.db2.gz BQXPPUXZDIZNRS-UHFFFAOYSA-N 0 0 472.335 5.306 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2ccc(C3CCCCC3)cc2)c1 ZINC000016637084 556148800 /nfs/dbraw/zinc/14/88/00/556148800.db2.gz VVEXJRFSQSXYOO-UHFFFAOYSA-N 0 0 488.053 6.018 40 0 JKABRN CCCC[C@@](CC)(CCCNC(=O)c1cccc(OC)c1)CNC(=O)c1cccc(OC)c1 ZINC000016637618 556148948 /nfs/dbraw/zinc/14/89/48/556148948.db2.gz GCMKVIIEPLODPS-MHZLTWQESA-N 0 0 454.611 5.230 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000016637096 556148972 /nfs/dbraw/zinc/14/89/72/556148972.db2.gz DTUOSRBCMUFFLD-UHFFFAOYSA-N 0 0 474.797 5.277 40 0 JKABRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]12 ZINC000016637486 556149041 /nfs/dbraw/zinc/14/90/41/556149041.db2.gz JFAMZNBWGYJSIO-PSQNISHLSA-N 0 0 475.588 6.101 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 ZINC000016639181 556149297 /nfs/dbraw/zinc/14/92/97/556149297.db2.gz BKOOOYHDBHQWNB-UHFFFAOYSA-N 0 0 475.570 5.809 40 0 JKABRN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000016678194 556150302 /nfs/dbraw/zinc/15/03/02/556150302.db2.gz BVQWMZWZLFSCBE-UHFFFAOYSA-N 0 0 452.576 5.156 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000016678256 556150360 /nfs/dbraw/zinc/15/03/60/556150360.db2.gz DBDDVTLXOPTAOG-SFHVURJKSA-N 0 0 487.625 6.924 40 0 JKABRN CCCCc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000016678207 556150401 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CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(Cl)ccc4OC)ccc3o2)cc1 ZINC000016691985 556153431 /nfs/dbraw/zinc/15/34/31/556153431.db2.gz XQGXKZFPFKKVQE-UHFFFAOYSA-N 0 0 481.961 5.682 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc5ccccc54)ccc3o2)cc1 ZINC000016692059 556153453 /nfs/dbraw/zinc/15/34/53/556153453.db2.gz HFLKOHYFKMYNRW-UHFFFAOYSA-N 0 0 467.550 6.174 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc5ccccc5c4)ccc3o2)cc1 ZINC000016692037 556153459 /nfs/dbraw/zinc/15/34/59/556153459.db2.gz MHBMKYCFWXSJNE-UHFFFAOYSA-N 0 0 467.550 6.174 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)cc1 ZINC000016692021 556153495 /nfs/dbraw/zinc/15/34/95/556153495.db2.gz QHORIESDWBWJKE-UHFFFAOYSA-N 0 0 489.597 6.055 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)N(c2ccccc2)c2ccccc2)cc1Br ZINC000016692124 556153722 /nfs/dbraw/zinc/15/37/22/556153722.db2.gz ARVNCDNGPGXQRL-UHFFFAOYSA-N 0 0 455.377 5.701 40 0 JKABRN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000016739502 556156224 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CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)C(=O)OC ZINC000016757963 556158114 /nfs/dbraw/zinc/15/81/14/556158114.db2.gz JPTYEYFJWNQSBO-LJQANCHMSA-N 0 0 482.403 5.894 40 0 JKABRN Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)c1 ZINC000016757936 556158132 /nfs/dbraw/zinc/15/81/32/556158132.db2.gz MDLPZLUVQWGUNW-UHFFFAOYSA-N 0 0 486.438 7.451 40 0 JKABRN Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)c1 ZINC000016758021 556158142 /nfs/dbraw/zinc/15/81/42/556158142.db2.gz BZLYXLRDYREPMF-UHFFFAOYSA-N 0 0 456.014 7.650 40 0 JKABRN CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758009 556158149 /nfs/dbraw/zinc/15/81/49/556158149.db2.gz WGLIVGPJGSKAMU-UHFFFAOYSA-N 0 0 496.430 6.284 40 0 JKABRN O=C(CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)c1ccccc1 ZINC000016757916 556158161 /nfs/dbraw/zinc/15/81/61/556158161.db2.gz RNKYDXRFBXRMLQ-UHFFFAOYSA-N 0 0 455.970 6.716 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1c(Cl)cccc1Cl ZINC000016768228 556158436 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COc1ccc(OC)c(CN(C(=O)Nc2ccc(Cl)c(Cl)c2)c2nnc3n2CCCCC3)c1 ZINC000016769821 556158766 /nfs/dbraw/zinc/15/87/66/556158766.db2.gz WEBNPXXLWKXFQZ-UHFFFAOYSA-N 0 0 490.391 5.567 40 0 JKABRN O=C(CCCSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1nc2ccccc2s1 ZINC000016778558 556158794 /nfs/dbraw/zinc/15/87/94/556158794.db2.gz PXNXCNIRZSEQGK-UHFFFAOYSA-N 0 0 452.527 5.495 40 0 JKABRN COc1ccccc1OCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 ZINC000016776836 556158816 /nfs/dbraw/zinc/15/88/16/556158816.db2.gz UCCPIFLOSFHMST-HXUWFJFHSA-N 0 0 490.003 5.996 40 0 JKABRN COc1ccc(CN(C(=O)Nc2ccc(Cl)c(Cl)c2)c2nnc3n2CCCCC3)cc1OC ZINC000016769882 556158826 /nfs/dbraw/zinc/15/88/26/556158826.db2.gz XQCPKHREXJNWSG-UHFFFAOYSA-N 0 0 490.391 5.567 40 0 JKABRN COc1ccccc1OCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000016776855 556158831 /nfs/dbraw/zinc/15/88/31/556158831.db2.gz SHHYUVCIRJHBQQ-QHCPKHFHSA-N 0 0 469.585 5.420 40 0 JKABRN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3CCCOc3c(C)cccc3C)CC2=O)c1 ZINC000016776829 556158885 /nfs/dbraw/zinc/15/88/85/556158885.db2.gz MWTCPXYOCRMHCT-QFIPXVFZSA-N 0 0 499.611 5.660 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000016779574 556159092 /nfs/dbraw/zinc/15/90/92/556159092.db2.gz PBGMWPAFVFHCQV-UHFFFAOYSA-N 0 0 478.570 5.233 40 0 JKABRN O=C(Nc1nccs1)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1nccs1 ZINC000016778580 556159141 /nfs/dbraw/zinc/15/91/41/556159141.db2.gz POUUNVZHAQGZPK-MYGLTJDJSA-N 0 0 486.622 5.547 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)n(-c4ccc(C)cc4)c3c(C)c2C)cc1 ZINC000016779592 556159164 /nfs/dbraw/zinc/15/91/64/556159164.db2.gz YYQGVEZOHPAYMI-UHFFFAOYSA-N 0 0 476.598 5.876 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc(NS(=O)(=O)c1ccccc1)c(C)c2C ZINC000016779600 556159195 /nfs/dbraw/zinc/15/91/95/556159195.db2.gz JPLPCAYTIFUHNY-UHFFFAOYSA-N 0 0 492.597 5.542 40 0 JKABRN Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(Br)cc3C(C)(C)C)CC2)cc1Cl ZINC000016780738 556159510 /nfs/dbraw/zinc/15/95/10/556159510.db2.gz KGOCXUAOKMZWCH-UHFFFAOYSA-N 0 0 499.902 5.528 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1Br ZINC000016788688 556159550 /nfs/dbraw/zinc/15/95/50/556159550.db2.gz ARFWPAQONQFDNI-UHFFFAOYSA-N 0 0 450.361 5.672 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccc(C)cc2)cc1 ZINC000016788838 556159732 /nfs/dbraw/zinc/15/97/32/556159732.db2.gz DSEHEMOLTKXTJH-UHFFFAOYSA-N 0 0 462.550 5.430 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2Cc2ccco2)cc1 ZINC000016788785 556159751 /nfs/dbraw/zinc/15/97/51/556159751.db2.gz DHQWJSHSXNPFCC-UHFFFAOYSA-N 0 0 473.385 5.932 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000016788732 556159760 /nfs/dbraw/zinc/15/97/60/556159760.db2.gz MJKABPHFVGGIHI-UHFFFAOYSA-N 0 0 485.396 5.981 40 0 JKABRN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788823 556159770 /nfs/dbraw/zinc/15/97/70/556159770.db2.gz HAGGPLIGDPJDKS-IBGZPJMESA-N 0 0 491.060 7.140 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl ZINC000016788722 556159782 /nfs/dbraw/zinc/15/97/82/556159782.db2.gz MSOJKFZIPVDORT-UHFFFAOYSA-N 0 0 489.815 6.625 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000016788920 556160016 /nfs/dbraw/zinc/16/00/16/556160016.db2.gz HUDNQCKDBCTLOK-UHFFFAOYSA-N 0 0 493.032 6.334 40 0 JKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000016788875 556160037 /nfs/dbraw/zinc/16/00/37/556160037.db2.gz FCYIUNLPWXKXGJ-UHFFFAOYSA-N 0 0 473.360 6.111 40 0 JKABRN COc1ccc(-n2c(SCC(=O)c3ccc4ccccc4c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000016788912 556160093 /nfs/dbraw/zinc/16/00/93/556160093.db2.gz YLZHGHTWVUXQCS-UHFFFAOYSA-N 0 0 485.996 6.725 40 0 JKABRN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000016789118 556160281 /nfs/dbraw/zinc/16/02/81/556160281.db2.gz XKTNQRUBICHEEC-UHFFFAOYSA-N 0 0 464.978 5.636 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000016789067 556160298 /nfs/dbraw/zinc/16/02/98/556160298.db2.gz FWQMRYXVQGKRAD-UHFFFAOYSA-N 0 0 495.004 5.726 40 0 JKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)c1cccc(Br)c1 ZINC000016789189 556160551 /nfs/dbraw/zinc/16/05/51/556160551.db2.gz MLLMRBNSZIISAF-UHFFFAOYSA-N 0 0 484.806 6.325 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nnc2-c2cccc(Cl)c2)cc1 ZINC000016789215 556160567 /nfs/dbraw/zinc/16/05/67/556160567.db2.gz IPPFFUNBWQUMCO-UHFFFAOYSA-N 0 0 454.382 6.525 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)c3ccc(-c4ccccc4)cc3)nnc2-c2ccccc2Cl)cc1 ZINC000016789154 556160581 /nfs/dbraw/zinc/16/05/81/556160581.db2.gz DBAREUXMOANBKX-UHFFFAOYSA-N 0 0 496.035 7.538 40 0 JKABRN CCOc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccc2Cl)cc1 ZINC000016789162 556160584 /nfs/dbraw/zinc/16/05/84/556160584.db2.gz MRJSKZYKBFPFSY-UHFFFAOYSA-N 0 0 461.978 6.155 40 0 JKABRN Cc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000016789231 556160588 /nfs/dbraw/zinc/16/05/88/556160588.db2.gz IYPIKVVLLMOMSO-UHFFFAOYSA-N 0 0 454.382 6.525 40 0 JKABRN COc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000016789128 556160591 /nfs/dbraw/zinc/16/05/91/556160591.db2.gz XNSFHOTZKFFUHR-UHFFFAOYSA-N 0 0 470.381 6.225 40 0 JKABRN CC[C@](C)(Nc1ccccc1)c1nnnn1[C@@H](/C=C/c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000012952910 556160752 /nfs/dbraw/zinc/16/07/52/556160752.db2.gz VDSFWQWQNAURBC-MGGUNBIHSA-N 0 0 458.437 7.018 40 0 JKABRN Cc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)cc1 ZINC000016789281 556160890 /nfs/dbraw/zinc/16/08/90/556160890.db2.gz OVCRRGMRAUKEFD-UHFFFAOYSA-N 0 0 453.951 5.435 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(OC)cc2)cc1 ZINC000016789424 556161048 /nfs/dbraw/zinc/16/10/48/556161048.db2.gz GOFKSXJHWUJIJV-UHFFFAOYSA-N 0 0 478.549 5.212 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 ZINC000016789515 556161096 /nfs/dbraw/zinc/16/10/96/556161096.db2.gz AORVCAPKAFGAAB-UHFFFAOYSA-N 0 0 470.385 5.675 40 0 JKABRN O=C(CSc1nnc(Cc2cccs2)n1-c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 ZINC000016789605 556161363 /nfs/dbraw/zinc/16/13/63/556161363.db2.gz IFIANVMFZQRWKR-UHFFFAOYSA-N 0 0 476.961 5.582 40 0 JKABRN Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000016805891 556162091 /nfs/dbraw/zinc/16/20/91/556162091.db2.gz DXFCJMTVHHWCEW-NRFANRHFSA-N 0 0 484.499 5.690 40 0 JKABRN CCOC(=O)CC(=O)C[C@H](O)C=Cc1c(C(C)C)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000012957897 556162286 /nfs/dbraw/zinc/16/22/86/556162286.db2.gz DAKSKMZHQSLQEF-JXVRESAISA-N 0 0 464.537 5.088 40 0 JKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000016807866 556162351 /nfs/dbraw/zinc/16/23/51/556162351.db2.gz JSIGLYFGWSSRNW-UHFFFAOYSA-N 0 0 482.008 7.230 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccc(C)cc1)c(C)c2C ZINC000016807674 556162385 /nfs/dbraw/zinc/16/23/85/556162385.db2.gz RPLNVJOKNALXDD-UHFFFAOYSA-N 0 0 490.625 6.150 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc(NS(=O)(=O)c1ccc(C)cc1)cc2C ZINC000016807653 556162393 /nfs/dbraw/zinc/16/23/93/556162393.db2.gz OEBGNRBLTJEMKR-UHFFFAOYSA-N 0 0 492.597 5.542 40 0 JKABRN Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@@H](Sc2ccc(C)cc2)CS1 ZINC000016807328 556162447 /nfs/dbraw/zinc/16/24/47/556162447.db2.gz UYCLCWNHDPIKGH-PZJWPPBQSA-N 0 0 450.654 6.239 40 0 JKABRN CC[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000012959263 556162566 /nfs/dbraw/zinc/16/25/66/556162566.db2.gz TXVNNFDXQZFMBQ-UZIKMYSZSA-N 0 0 464.993 5.915 40 0 JKABRN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-c2ccc(C)cc2)cc1 ZINC000016807891 556162776 /nfs/dbraw/zinc/16/27/76/556162776.db2.gz DHQXQUBEUYTRHB-UHFFFAOYSA-N 0 0 458.587 5.599 40 0 JKABRN CCOP(=O)(OCC)C(Nc1cccc(-c2ccccc2)c1)P(=O)(OCC)OCC ZINC000016890223 556170962 /nfs/dbraw/zinc/17/09/62/556170962.db2.gz ICZVZXKVOZFHKI-UHFFFAOYSA-N 0 0 455.428 6.581 40 0 JKABRN COc1cccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3OC)CC2=O)c1 ZINC000016902482 556173293 /nfs/dbraw/zinc/17/32/93/556173293.db2.gz CVLFHHZXFQLLEH-HXUWFJFHSA-N 0 0 471.557 5.043 40 0 JKABRN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3OC)CC2=O)cc1 ZINC000016902515 556173515 /nfs/dbraw/zinc/17/35/15/556173515.db2.gz ZDYJFRFOLFASRS-FQEVSTJZSA-N 0 0 471.557 5.043 40 0 JKABRN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccc(C)cc3C)CC2=O)cc1 ZINC000016902513 556173569 /nfs/dbraw/zinc/17/35/69/556173569.db2.gz BTRFQVACQKRMAI-JOCHJYFZSA-N 0 0 469.585 5.651 40 0 JKABRN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3Cl)CC2=O)cc1 ZINC000016902505 556173595 /nfs/dbraw/zinc/17/35/95/556173595.db2.gz PQBYMRWNAKUNGA-LJQANCHMSA-N 0 0 475.976 5.688 40 0 JKABRN O=C(O[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)c1cccc2ccccc21)c1ccccc1 ZINC000016990435 556195113 /nfs/dbraw/zinc/19/51/13/556195113.db2.gz GTTQGQZRIGLSRL-RUZDIDTESA-N 0 0 451.305 6.859 40 0 JKABRN COc1ccc(/C=C/c2nc3ccccc3nc2/C=C\c2ccc(OC)c(OC)c2)cc1OC ZINC000016997777 556199488 /nfs/dbraw/zinc/19/94/88/556199488.db2.gz MHPVIYRBVXAEQU-ZKLMZBBOSA-N 0 0 454.526 6.005 40 0 JKABRN c1ccc(/N=c2\ncc3nc(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c-3n2)cc1 ZINC000017012992 556203177 /nfs/dbraw/zinc/20/31/77/556203177.db2.gz IEDIWGYXCWASCB-NHQGMKOOSA-N 0 0 451.533 6.334 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)C)cc1 ZINC000013023877 556213580 /nfs/dbraw/zinc/21/35/80/556213580.db2.gz LMTAGWFOAABGHZ-HHHXNRCGSA-N 0 0 498.631 5.029 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)C)cc1 ZINC000013023874 556213628 /nfs/dbraw/zinc/21/36/28/556213628.db2.gz LMTAGWFOAABGHZ-MHZLTWQESA-N 0 0 498.631 5.029 40 0 JKABRN Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000017083370 556215067 /nfs/dbraw/zinc/21/50/67/556215067.db2.gz UKHHHBQSBLZSME-HKBQPEDESA-N 0 0 463.577 6.279 40 0 JKABRN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc3ccccc3c2)C1=O ZINC000017083395 556215075 /nfs/dbraw/zinc/21/50/75/556215075.db2.gz CDRFZIWUJJGZIN-DEOSSOPVSA-N 0 0 452.348 5.210 40 0 JKABRN CC(C)(C)c1ccc(C(=O)C[C@@]2(O)c3cc(Br)ccc3N(Cc3ccccc3)C2=O)cc1 ZINC000017083409 556215121 /nfs/dbraw/zinc/21/51/21/556215121.db2.gz BZDUNFOMNOPXKN-HHHXNRCGSA-N 0 0 492.413 5.754 40 0 JKABRN Cc1ccc(C(=O)C[C@@]2(O)c3cc(Br)ccc3N(Cc3ccccc3)C2=O)c(C)c1 ZINC000017083411 556215349 /nfs/dbraw/zinc/21/53/49/556215349.db2.gz RAFPWEQKDGNTIQ-RUZDIDTESA-N 0 0 464.359 5.073 40 0 JKABRN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccc(Cl)cc1 ZINC000017083413 556215420 /nfs/dbraw/zinc/21/54/20/556215420.db2.gz SYYDSBMEEJNWOI-QHCPKHFHSA-N 0 0 470.750 5.110 40 0 JKABRN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc(Br)cc1 ZINC000017083456 556215429 /nfs/dbraw/zinc/21/54/29/556215429.db2.gz HSGFWULPVZCMRL-HSZRJFAPSA-N 0 0 470.750 5.110 40 0 JKABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c(OC)c1 ZINC000013024980 556215505 /nfs/dbraw/zinc/21/55/05/556215505.db2.gz XDGVDRBDUYINAW-DEOSSOPVSA-N 0 0 482.964 5.397 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1 ZINC000013025464 556216072 /nfs/dbraw/zinc/21/60/72/556216072.db2.gz XEIKGDHFIYAVPH-HHHXNRCGSA-N 0 0 474.601 5.472 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1 ZINC000013025506 556216152 /nfs/dbraw/zinc/21/61/52/556216152.db2.gz SYVDDGFOYHVQLZ-SANMLTNESA-N 0 0 474.557 5.328 40 0 JKABRN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F ZINC000017086287 556216292 /nfs/dbraw/zinc/21/62/92/556216292.db2.gz SNSGRQHWQBLBPI-AREMUKBSSA-N 0 0 499.546 5.241 40 0 JKABRN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(C)cc1 ZINC000017086301 556216311 /nfs/dbraw/zinc/21/63/11/556216311.db2.gz JUTMBOYVUUPESM-AREMUKBSSA-N 0 0 481.556 5.102 40 0 JKABRN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OCc1ccc(C)cc1 ZINC000017086302 556216354 /nfs/dbraw/zinc/21/63/54/556216354.db2.gz JUTMBOYVUUPESM-SANMLTNESA-N 0 0 481.556 5.102 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)cc1 ZINC000013025546 556216397 /nfs/dbraw/zinc/21/63/97/556216397.db2.gz OWTLCUDKBTXMSR-SANMLTNESA-N 0 0 460.574 5.742 40 0 JKABRN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 ZINC000017086291 556216374 /nfs/dbraw/zinc/21/63/74/556216374.db2.gz QGQOWYMTIJZVNR-RUZDIDTESA-N 0 0 469.520 5.232 40 0 JKABRN COc1cc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)ccc1OCc1ccccc1 ZINC000017086255 556216393 /nfs/dbraw/zinc/21/63/93/556216393.db2.gz VINKIQXGPGDROV-HHHXNRCGSA-N 0 0 495.583 5.410 40 0 JKABRN Cc1ccc(COc2ccccc2[C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 ZINC000017086295 556216398 /nfs/dbraw/zinc/21/63/98/556216398.db2.gz VUEVCUMMANPPTO-AREMUKBSSA-N 0 0 465.557 5.402 40 0 JKABRN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 ZINC000017086313 556216629 /nfs/dbraw/zinc/21/66/29/556216629.db2.gz JOOOFDTZLZFGLK-RUZDIDTESA-N 0 0 485.975 5.747 40 0 JKABRN CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccccc2OCc2ccc(Cl)cc2)n2ncnc2N1 ZINC000017086340 556216640 /nfs/dbraw/zinc/21/66/40/556216640.db2.gz YPMPQHTWVXRNFG-VWLOTQADSA-N 0 0 485.975 5.116 40 0 JKABRN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2OCc2ccc(F)cc2)c(C)c1 ZINC000017086309 556216695 /nfs/dbraw/zinc/21/66/95/556216695.db2.gz KDVILWDPQLPFRI-AREMUKBSSA-N 0 0 483.547 5.541 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)c(Cl)c2)c1 ZINC000013025848 556217006 /nfs/dbraw/zinc/21/70/06/556217006.db2.gz OLCDTTNVXVQSHD-HSZRJFAPSA-N 0 0 470.928 5.528 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)c2ccco2)c1OC ZINC000013025937 556217201 /nfs/dbraw/zinc/21/72/01/556217201.db2.gz ZWZMSPHONYJCQZ-RUZDIDTESA-N 0 0 480.605 5.430 40 0 JKABRN CC[C@H](C)c1cc(C(C)(C)C)cc(-n2nc3ccccc3n2)c1OS(=O)(=O)c1cccc(N)c1 ZINC000017110462 556217278 /nfs/dbraw/zinc/21/72/78/556217278.db2.gz HNSHBUZYRDUVRF-KRWDZBQOSA-N 0 0 478.618 5.581 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cc(C)cc2C)c1OC ZINC000013026065 556217523 /nfs/dbraw/zinc/21/75/23/556217523.db2.gz PXMQAXWDEBPIFN-AREMUKBSSA-N 0 0 490.600 5.669 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(Cl)cc2)cc1OC ZINC000013026338 556218164 /nfs/dbraw/zinc/21/81/64/556218164.db2.gz QYDWYBFTQYVYKK-XMMPIXPASA-N 0 0 482.964 5.397 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(C)ccc2OC)cc1OC ZINC000013026375 556218438 /nfs/dbraw/zinc/21/84/38/556218438.db2.gz IOUKQFVETNXGJU-SANMLTNESA-N 0 0 492.572 5.061 40 0 JKABRN CCOc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(OC)c(OC)c1 ZINC000013026434 556218441 /nfs/dbraw/zinc/21/84/41/556218441.db2.gz OIYRNPCHFKZCPK-SANMLTNESA-N 0 0 492.572 5.142 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1 ZINC000013026481 556218640 /nfs/dbraw/zinc/21/86/40/556218640.db2.gz GVEPBYOKVNWDMN-SANMLTNESA-N 0 0 460.574 5.082 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)cc1OC ZINC000013026464 556218780 /nfs/dbraw/zinc/21/87/80/556218780.db2.gz SZNWLUZLFNEBAC-RUZDIDTESA-N 0 0 462.546 5.052 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)c(Cl)c2)cc1 ZINC000013026537 556218980 /nfs/dbraw/zinc/21/89/80/556218980.db2.gz WGMUYIJHOOJLOG-HSZRJFAPSA-N 0 0 470.928 5.528 40 0 JKABRN CC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000013026732 556219217 /nfs/dbraw/zinc/21/92/17/556219217.db2.gz LILVNPSGDBKHRW-MHZLTWQESA-N 0 0 472.585 6.053 40 0 JKABRN CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccco2)cc1 ZINC000013026687 556219268 /nfs/dbraw/zinc/21/92/68/556219268.db2.gz VYWXQIAECRYJSH-HHHXNRCGSA-N 0 0 488.584 5.574 40 0 JKABRN COc1ccccc1CN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(C(C)C)cc1 ZINC000013026695 556219273 /nfs/dbraw/zinc/21/92/73/556219273.db2.gz ULWKYOWAKBQTHD-MHZLTWQESA-N 0 0 474.601 5.854 40 0 JKABRN COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000013026698 556219287 /nfs/dbraw/zinc/21/92/87/556219287.db2.gz VVFBPHSYCHMJJN-HHHXNRCGSA-N 0 0 474.601 5.854 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1 ZINC000013026766 556219465 /nfs/dbraw/zinc/21/94/65/556219465.db2.gz QNEVWCGMTDEGNN-MHZLTWQESA-N 0 0 458.602 5.635 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)cc1 ZINC000013026780 556219557 /nfs/dbraw/zinc/21/95/57/556219557.db2.gz PXIPFONTJUZZTC-SANMLTNESA-N 0 0 460.574 5.293 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)cc1 ZINC000013026807 556219587 /nfs/dbraw/zinc/21/95/87/556219587.db2.gz LBXUZPNUJWQQSV-AREMUKBSSA-N 0 0 458.558 5.492 40 0 JKABRN O=C1[C@H]2C(c3ccccc3)=C(c3ccccc3)[C@@H]2C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 ZINC000025540542 556219649 /nfs/dbraw/zinc/21/96/49/556219649.db2.gz MACHLCPQSPAGCK-IEHDKDRNSA-N 0 0 464.564 6.519 40 0 JKABRN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@]2(O)C1)[C@@H]1CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]1(C)CC3=O ZINC000025553516 556219938 /nfs/dbraw/zinc/21/99/38/556219938.db2.gz OKQBGCWEEWTXQS-WGCVXRBJSA-N 0 0 470.694 6.420 40 0 JKABRN CC(=O)O[C@H]1C=C2C(=CC[C@@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]23)[C@]2(C)CCC(=O)C[C@@H]12 ZINC000025548637 556219972 /nfs/dbraw/zinc/21/99/72/556219972.db2.gz YLJSYWPEEOESBD-OGIAVUFRSA-N 0 0 452.679 7.081 40 0 JKABRN CC(=O)O[C@H]1C=C2C(=CC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](C)C(C)C)[C@]2(C)CCC(=O)C[C@@H]12 ZINC000025548633 556219995 /nfs/dbraw/zinc/21/99/95/556219995.db2.gz YLJSYWPEEOESBD-IWUCFZGOSA-N 0 0 452.679 7.081 40 0 JKABRN O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1nsc(Cl)c1Cl)C1CCCCC1 ZINC000013027196 556220160 /nfs/dbraw/zinc/22/01/60/556220160.db2.gz FKMCFGRRUMGLQQ-HXUWFJFHSA-N 0 0 498.451 6.164 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2nsc(Cl)c2Cl)C2CCCCC2)cc1 ZINC000013027304 556220460 /nfs/dbraw/zinc/22/04/60/556220460.db2.gz QOXGEMIEKAXSMP-NRFANRHFSA-N 0 0 494.488 6.333 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2nsc(Cl)c2Cl)C2CCCCC2)cc1 ZINC000013027302 556220502 /nfs/dbraw/zinc/22/05/02/556220502.db2.gz QOXGEMIEKAXSMP-OAQYLSRUSA-N 0 0 494.488 6.333 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CCCC(=O)Nc2ccccn2)C2CCCC2)cc1 ZINC000013027656 556220822 /nfs/dbraw/zinc/22/08/22/556220822.db2.gz DBJYMLBMZUUKTC-MUUNZHRXSA-N 0 0 490.648 5.070 40 0 JKABRN C[C@H]1CCCN(C(=O)CSc2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)C1 ZINC000013027869 556221055 /nfs/dbraw/zinc/22/10/55/556221055.db2.gz IWEGDWHCQIHWPT-SFHVURJKSA-N 0 0 465.688 5.706 40 0 JKABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(CCc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000013027879 556221089 /nfs/dbraw/zinc/22/10/89/556221089.db2.gz RIHFZRAMBTUXLV-LJQANCHMSA-N 0 0 499.705 6.425 40 0 JKABRN CCc1nc2sc(C)c(C)c2c(SCC(=O)N2c3ccccc3CCc3ccccc32)n1 ZINC000013027911 556221327 /nfs/dbraw/zinc/22/13/27/556221327.db2.gz RQUKGTIYWSZUDC-UHFFFAOYSA-N 0 0 459.640 6.426 40 0 JKABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)N(C4CCCCC4)C4CCCCC4)n21)CCCC3 ZINC000013027981 556221348 /nfs/dbraw/zinc/22/13/48/556221348.db2.gz RVUDWJDNYHSFLK-UHFFFAOYSA-N 0 0 497.734 6.112 40 0 JKABRN CC(/C=C\C1=C(C)CCCC1(C)C)=C/C=C\C(C)=C/C(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2 ZINC000017142381 556224752 /nfs/dbraw/zinc/22/47/52/556224752.db2.gz CQVUCZWJJURYFZ-MRWZOIPKSA-N 0 0 471.685 8.731 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1Cl ZINC000013032079 556230284 /nfs/dbraw/zinc/23/02/84/556230284.db2.gz HETVHQCCSKASLW-DEOSSOPVSA-N 0 0 493.995 5.065 40 0 JKABRN c1cc([C@@]2(c3ccccc3)Oc3ccccc3S2)[nH]c1[C@]1(c2ccccc2)Oc2ccccc2S1 ZINC000017187489 556235519 /nfs/dbraw/zinc/23/55/19/556235519.db2.gz XGKFRPRNANMRDG-RNPORBBMSA-N 0 0 491.637 7.786 40 0 JKABRN COc1cccc(OCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)c1 ZINC000017227228 556243066 /nfs/dbraw/zinc/24/30/66/556243066.db2.gz HXNRLWPHNYOLDZ-UHFFFAOYSA-N 0 0 473.860 5.060 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)N1CCCC1 ZINC000026114826 556245477 /nfs/dbraw/zinc/24/54/77/556245477.db2.gz GZEKFXKVIFHFDZ-UHFFFAOYSA-N 0 0 478.945 5.118 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCCC1 ZINC000026114833 556245488 /nfs/dbraw/zinc/24/54/88/556245488.db2.gz UQPDJHFSOHFILR-UHFFFAOYSA-N 0 0 482.627 5.024 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCCCC1 ZINC000026116882 556246605 /nfs/dbraw/zinc/24/66/05/556246605.db2.gz PLLSQYYWVUPNCE-UHFFFAOYSA-N 0 0 493.865 5.796 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000026116605 556246645 /nfs/dbraw/zinc/24/66/45/556246645.db2.gz HEAMDAMJKCHKNC-UHFFFAOYSA-N 0 0 459.420 5.142 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1C(=O)N1CCC(C)CC1 ZINC000026118250 556247581 /nfs/dbraw/zinc/24/75/81/556247581.db2.gz QLUKRMGTXFOUNS-UHFFFAOYSA-N 0 0 454.617 5.235 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118257 556247672 /nfs/dbraw/zinc/24/76/72/556247672.db2.gz ZJBJVIKVLIHOBK-UHFFFAOYSA-N 0 0 454.617 5.235 40 0 JKABRN CC(C)(C)[C@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253580 556248228 /nfs/dbraw/zinc/24/82/28/556248228.db2.gz CPQWLSMXDCOCJE-AFZMZZQISA-N 0 0 461.005 6.654 40 0 JKABRN CC(C)(C)[C@@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253576 556248263 /nfs/dbraw/zinc/24/82/63/556248263.db2.gz CPQWLSMXDCOCJE-PRTDMIOVSA-N 0 0 461.005 6.654 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C(=O)N1CCCCCC1 ZINC000026119803 556248452 /nfs/dbraw/zinc/24/84/52/556248452.db2.gz JXKGLMWJWWFOLM-UHFFFAOYSA-N 0 0 473.447 5.532 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000026119703 556248555 /nfs/dbraw/zinc/24/85/55/556248555.db2.gz SVYREOXAWSRRPO-UHFFFAOYSA-N 0 0 496.654 6.018 40 0 JKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3n2)cc1 ZINC000026124033 556249436 /nfs/dbraw/zinc/24/94/36/556249436.db2.gz NHABRRRJBFOMAO-UHFFFAOYSA-N 0 0 463.324 6.548 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3n2)cc1 ZINC000026124061 556249522 /nfs/dbraw/zinc/24/95/22/556249522.db2.gz ZQVSTGKABOBMST-UHFFFAOYSA-N 0 0 479.323 6.248 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 ZINC000026124717 556249888 /nfs/dbraw/zinc/24/98/88/556249888.db2.gz IMNSOVNJEQBKPO-WYMLVPIESA-N 0 0 484.943 6.303 40 0 JKABRN COc1ccc(-c2c3c4n(c(COc5ccccc5)nn4c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000026442244 556253713 /nfs/dbraw/zinc/25/37/13/556253713.db2.gz RRCBHWRVFQNKPR-UHFFFAOYSA-N 0 0 492.579 5.979 40 0 JKABRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOCCOc1cccc(C)c1 ZINC000026580625 556257509 /nfs/dbraw/zinc/25/75/09/556257509.db2.gz LVEAYNRAGWLNBZ-QNGOZBTKSA-N 0 0 459.589 5.197 40 0 JKABRN CC(C)(C)CC(C)(C)c1ccc2c(c1)N[C@@H]([C@H]1Nc3cc(C(C)(C)CC(C)(C)C)ccc3O1)O2 ZINC000017354570 556259386 /nfs/dbraw/zinc/25/93/86/556259386.db2.gz AQAFORKFKCSWJB-WMPKNSHKSA-N 0 0 464.694 8.075 40 0 JKABRN CCOc1ccc([C@H](Nc2ccccc2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000026770847 556260762 /nfs/dbraw/zinc/26/07/62/556260762.db2.gz XEAIADYTSBXHOL-SANMLTNESA-N 0 0 456.611 7.217 40 0 JKABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064649 556262237 /nfs/dbraw/zinc/26/22/37/556262237.db2.gz SRENEUMAFPSUGO-SANMLTNESA-N 0 0 470.621 5.076 40 0 JKABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064699 556262692 /nfs/dbraw/zinc/26/26/92/556262692.db2.gz JHODLFBGIPOEKN-SANMLTNESA-N 0 0 488.611 5.215 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064805 556262912 /nfs/dbraw/zinc/26/29/12/556262912.db2.gz CWFDLWOYDJOKCW-SANMLTNESA-N 0 0 486.664 5.473 40 0 JKABRN COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3ccc(Cl)cc3)cc(C(C)C)c2O)cc1 ZINC000026786942 556263348 /nfs/dbraw/zinc/26/33/48/556263348.db2.gz IHZHXXUCBBMRNO-UHFFFAOYSA-N 0 0 473.978 5.571 40 0 JKABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065147 556263673 /nfs/dbraw/zinc/26/36/73/556263673.db2.gz UQMJLWGDKIFMAT-SANMLTNESA-N 0 0 484.648 5.270 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065068 556263807 /nfs/dbraw/zinc/26/38/07/556263807.db2.gz OGWPLANFLBSNBT-RUZDIDTESA-N 0 0 470.621 5.076 40 0 JKABRN C[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000013065327 556264162 /nfs/dbraw/zinc/26/41/62/556264162.db2.gz QUXZZBGMEDFFCX-DOTOQJQBSA-N 0 0 457.709 6.213 40 0 JKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2C(=O)[C@@H]3C[C@H](c4ccccc4)CC[C@@H]3C2=O)cc1 ZINC000017721741 556264603 /nfs/dbraw/zinc/26/46/03/556264603.db2.gz SGGUBRGRTLZBKL-VEXUSMLFSA-N 0 0 492.497 6.031 40 0 JKABRN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000026920355 556266204 /nfs/dbraw/zinc/26/62/04/556266204.db2.gz CEMSFMQVNAQHFL-UWHLTILDSA-N 0 0 469.368 5.124 40 0 JKABRN CC[C@@H](C)c1ccc(-n2c3nn(CN(C)Cc4ccc(C)cc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070154 556267315 /nfs/dbraw/zinc/26/73/15/556267315.db2.gz KFZDHMVAOGDTKG-OAQYLSRUSA-N 0 0 497.668 6.081 40 0 JKABRN CC[C@H](C)c1ccc(-n2c3nn(CN(C)Cc4ccccc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070696 556267991 /nfs/dbraw/zinc/26/79/91/556267991.db2.gz LJXSSDBPTHNSNP-FQEVSTJZSA-N 0 0 483.641 5.772 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000017828931 556268066 /nfs/dbraw/zinc/26/80/66/556268066.db2.gz POPJURAZRYYCDI-UHFFFAOYSA-N 0 0 489.815 6.625 40 0 JKABRN CCOc1ccc(-n2c(-c3ccc(Br)cc3)cs/c2=N\C(=O)c2ccccc2F)cc1 ZINC000017837539 556268500 /nfs/dbraw/zinc/26/85/00/556268500.db2.gz XEPYMDLSIMRNCH-PNHLSOANSA-N 0 0 497.389 6.247 40 0 JKABRN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)Oc1ccc(Cl)cc1Cl ZINC000027016356 556268534 /nfs/dbraw/zinc/26/85/34/556268534.db2.gz NXWYKJMEWFAPLL-UHFFFAOYSA-N 0 0 498.413 5.512 40 0 JKABRN Cc1ccc(-c2nnc3sc(/C=C/c4cn(-c5ccccc5)nc4-c4ccc(F)cc4)nn32)cc1 ZINC000027024251 556271917 /nfs/dbraw/zinc/27/19/17/556271917.db2.gz VFDDTGTXRXCASN-DTQAZKPQSA-N 0 0 478.556 6.323 40 0 JKABRN O=C(NCc1ccco1)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccc(Cl)cc1 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COc1ccccc1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209119 556320152 /nfs/dbraw/zinc/32/01/52/556320152.db2.gz QRSMTIYMPUZWBR-UHFFFAOYSA-N 0 0 470.547 5.126 40 0 JKABRN CN(c1ccc2sc(C(=O)NC3CCCCCCC3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209203 556320156 /nfs/dbraw/zinc/32/01/56/556320156.db2.gz AXYCYUGYPWERON-UHFFFAOYSA-N 0 0 474.623 5.708 40 0 JKABRN CCCN(c1ccc2sc(C(=O)NCc3cccnc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209257 556320365 /nfs/dbraw/zinc/32/03/65/556320365.db2.gz VLFGDGVDGLWGNW-UHFFFAOYSA-N 0 0 479.627 5.140 40 0 JKABRN CCCN(c1ccc2sc(C(=O)NCCCOC(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209349 556320764 /nfs/dbraw/zinc/32/07/64/556320764.db2.gz XHHLWGWRPSTZCK-UHFFFAOYSA-N 0 0 488.675 5.360 40 0 JKABRN O=C(NCCCCCCNC(=O)Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000019015553 556327012 /nfs/dbraw/zinc/32/70/12/556327012.db2.gz BZNNBFUCIRKPJK-UHFFFAOYSA-N 0 0 490.448 6.228 40 0 JKABRN O=C(NCc1nc2ccccc2n1C(=O)Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000019015508 556327024 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YFWUNCLEWHEQEZ-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN COc1ccc2c(c1OC)/C(=C\c1ccccc1)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000031649333 556400906 /nfs/dbraw/zinc/40/09/06/556400906.db2.gz WZFFWDNRLXHYID-XJKNEGERSA-N 0 0 487.552 5.240 40 0 JKABRN O=C(/C=C\c1ccccc1)OCC(COC(=O)/C=C\c1ccccc1)OC(=O)/C=C\c1ccccc1 ZINC000031647894 556401059 /nfs/dbraw/zinc/40/10/59/556401059.db2.gz CUBAPNUXSCULGU-JFJOQQEJSA-N 0 0 482.532 5.125 40 0 JKABRN S=C1SCN(C2CCCCCCCCCCC2)CN1C1CCCCCCCCCCC1 ZINC000031729045 556402428 /nfs/dbraw/zinc/40/24/28/556402428.db2.gz CJFAIXBNZPIDFS-UHFFFAOYSA-N 0 0 466.845 8.884 40 0 in-vitro JKABRN Cc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2C)C1c1ccccc1F ZINC000031817872 556407715 /nfs/dbraw/zinc/40/77/15/556407715.db2.gz ACGRLAUHBXFCLD-UHFFFAOYSA-N 0 0 469.560 5.955 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000031819812 556408039 /nfs/dbraw/zinc/40/80/39/556408039.db2.gz OTEPPTCZBKUAJK-UHFFFAOYSA-N 0 0 465.597 6.322 40 0 JKABRN Cc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2C)C1/C=C/c1ccccc1 ZINC000031829963 556408622 /nfs/dbraw/zinc/40/86/22/556408622.db2.gz ORHWYFRPRZZBHQ-VHEBQXMUSA-N 0 0 477.608 6.361 40 0 JKABRN C[C@@H]1[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc3c(cc2O[C@@H]1N1CCOCC1)OCO3 ZINC000031860884 556409113 /nfs/dbraw/zinc/40/91/13/556409113.db2.gz SICREJOSBMSSEJ-ISCRSJHHSA-N 0 0 481.633 5.535 40 0 JKABRN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCCOc2c(C)cccc2C)CC1=O ZINC000031903481 556409574 /nfs/dbraw/zinc/40/95/74/556409574.db2.gz JWTMUCWOUBNXRA-HSZRJFAPSA-N 0 0 483.612 6.041 40 0 JKABRN CCc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc([C@@H](C)CC)cc3)CC2=O)cc1 ZINC000031903475 556409661 /nfs/dbraw/zinc/40/96/61/556409661.db2.gz PGAGDPGUBOSZLH-SQJMNOBHSA-N 0 0 451.614 6.681 40 0 JKABRN COc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 ZINC000031903496 556409873 /nfs/dbraw/zinc/40/98/73/556409873.db2.gz CUDMZWMPSKNGQX-FQEVSTJZSA-N 0 0 471.557 5.043 40 0 JKABRN 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ZINC000032109330 556418755 /nfs/dbraw/zinc/41/87/55/556418755.db2.gz BSRNASOMLXVCJM-UHFFFAOYSA-N 0 0 453.350 7.577 40 0 JKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(OCc5ccccc5)c4)c3)nc2c1 ZINC000032109333 556418997 /nfs/dbraw/zinc/41/89/97/556418997.db2.gz VRINSCMWZZFUIA-UHFFFAOYSA-N 0 0 468.940 7.288 40 0 JKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)COc4ccccc4C)c3)nc2c1 ZINC000032109344 556419008 /nfs/dbraw/zinc/41/90/08/556419008.db2.gz UKBOPZJYTLWYPT-UHFFFAOYSA-N 0 0 465.962 5.657 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1Cl ZINC000032109347 556419036 /nfs/dbraw/zinc/41/90/36/556419036.db2.gz LGIVBDQYGKVTMU-UHFFFAOYSA-N 0 0 482.030 6.451 40 0 JKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)COc4ccc(Cl)cc4)c3)nc2c1 ZINC000032109345 556419067 /nfs/dbraw/zinc/41/90/67/556419067.db2.gz OEUAHFAABFAWHK-UHFFFAOYSA-N 0 0 486.380 6.002 40 0 JKABRN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1Br ZINC000032109649 556419809 /nfs/dbraw/zinc/41/98/09/556419809.db2.gz MLKCHUZHMXMSGX-UHFFFAOYSA-N 0 0 465.347 6.443 40 0 JKABRN Cc1ccc2c(c1)CCCN2Cn1nc(COc2ccc(C3CCCCC3)cc2)n(C)c1=S ZINC000032109760 556419828 /nfs/dbraw/zinc/41/98/28/556419828.db2.gz UZSXABWYWVZDQH-UHFFFAOYSA-N 0 0 462.663 6.297 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)cc1 ZINC000032109675 556419839 /nfs/dbraw/zinc/41/98/39/556419839.db2.gz KHQMZMJUBPNONA-UHFFFAOYSA-N 0 0 479.989 6.407 40 0 JKABRN COc1ccc2c(c1)c(CC(=O)NC1CCCCCCC1)cn2C(=O)c1ccc(Cl)cc1 ZINC000032109932 556420131 /nfs/dbraw/zinc/42/01/31/556420131.db2.gz PUNYQMPHUZFEIQ-UHFFFAOYSA-N 0 0 452.982 5.763 40 0 JKABRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)n1c2ccccc2c2ccccc21 ZINC000032109923 556420248 /nfs/dbraw/zinc/42/02/48/556420248.db2.gz LNABGWXOTGTGMY-UHFFFAOYSA-N 0 0 474.589 6.399 40 0 JKABRN Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032112070 556421022 /nfs/dbraw/zinc/42/10/22/556421022.db2.gz XWDKUBSFNMDQFD-UHFFFAOYSA-N 0 0 470.912 7.159 40 0 JKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000032114501 556421054 /nfs/dbraw/zinc/42/10/54/556421054.db2.gz KTFLNGMAFNDOIU-UHFFFAOYSA-N 0 0 450.494 6.408 40 0 JKABRN Cc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114705 556421245 /nfs/dbraw/zinc/42/12/45/556421245.db2.gz GZMAZHHPLJAIEP-UHFFFAOYSA-N 0 0 450.494 6.164 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000032114573 556421255 /nfs/dbraw/zinc/42/12/55/556421255.db2.gz LAPKWIMOFVTOMM-UHFFFAOYSA-N 0 0 471.969 6.737 40 0 JKABRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc(Cl)ccc1Cl ZINC000032114784 556421553 /nfs/dbraw/zinc/42/15/53/556421553.db2.gz VKDMERJVUMFJBD-UHFFFAOYSA-N 0 0 453.659 6.986 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(COc3ccccc3)c2)cc1OC ZINC000032114824 556421577 /nfs/dbraw/zinc/42/15/77/556421577.db2.gz QLGYMVXHYXTCJS-UHFFFAOYSA-N 0 0 491.613 5.530 40 0 JKABRN CCCCCCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 ZINC000032114814 556421624 /nfs/dbraw/zinc/42/16/24/556421624.db2.gz MYMVCYMWKKVTOX-UHFFFAOYSA-N 0 0 484.930 7.638 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115033 556421883 /nfs/dbraw/zinc/42/18/83/556421883.db2.gz NBVLJXCEYVHVSP-UHFFFAOYSA-N 0 0 487.581 5.908 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC ZINC000032114942 556421887 /nfs/dbraw/zinc/42/18/87/556421887.db2.gz IRSFTNXGBCYCQK-UHFFFAOYSA-N 0 0 471.623 5.013 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)CSc2ccc(Cl)cc2)cc1OC ZINC000032114965 556421954 /nfs/dbraw/zinc/42/19/54/556421954.db2.gz QIVLBAVHPIOSHD-UHFFFAOYSA-N 0 0 466.028 5.083 40 0 JKABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccccc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115176 556422142 /nfs/dbraw/zinc/42/21/42/556422142.db2.gz RDKAZRVDOLLLCD-SDNWHVSQSA-N 0 0 455.539 5.520 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000032115143 556422146 /nfs/dbraw/zinc/42/21/46/556422146.db2.gz QCUBXSNWTMDVPU-UHFFFAOYSA-N 0 0 456.876 6.858 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1C ZINC000032115101 556422179 /nfs/dbraw/zinc/42/21/79/556422179.db2.gz RUCYTSSZUKPZLR-UHFFFAOYSA-N 0 0 471.916 6.170 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000032115222 556422186 /nfs/dbraw/zinc/42/21/86/556422186.db2.gz ZQXYCVKDHZMJIR-UHFFFAOYSA-N 0 0 470.903 6.876 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115289 556422395 /nfs/dbraw/zinc/42/23/95/556422395.db2.gz PYDIEZSYRMCQIY-UHFFFAOYSA-N 0 0 463.946 5.774 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccccc1Cl ZINC000032115271 556422403 /nfs/dbraw/zinc/42/24/03/556422403.db2.gz KUPRWPHCRKSXRR-UHFFFAOYSA-N 0 0 478.307 6.207 40 0 JKABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115371 556422413 /nfs/dbraw/zinc/42/24/13/556422413.db2.gz XDFCSLSOGAQGNA-MDWZMJQESA-N 0 0 489.984 6.173 40 0 JKABRN COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000032115261 556422479 /nfs/dbraw/zinc/42/24/79/556422479.db2.gz UQEJWZPVQLCDLY-UHFFFAOYSA-N 0 0 473.888 5.562 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000032115320 556422486 /nfs/dbraw/zinc/42/24/86/556422486.db2.gz UGGMYGYEZDBNNC-UHFFFAOYSA-N 0 0 475.614 5.469 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115285 556422491 /nfs/dbraw/zinc/42/24/91/556422491.db2.gz KGBOREMBTXMBHI-UHFFFAOYSA-N 0 0 498.391 6.427 40 0 JKABRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccc(COc2ccccc2)c1 ZINC000032115328 556422497 /nfs/dbraw/zinc/42/24/97/556422497.db2.gz ZWGMIPNHTCOWCL-UHFFFAOYSA-N 0 0 490.893 7.258 40 0 JKABRN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115452 556422675 /nfs/dbraw/zinc/42/26/75/556422675.db2.gz SQLPOAWPAYJQOD-GQCTYLIASA-N 0 0 459.861 5.546 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000032115510 556422682 /nfs/dbraw/zinc/42/26/82/556422682.db2.gz DWKNGZQBBXBPPG-UHFFFAOYSA-N 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ZINC000008685906 562952657 /nfs/dbraw/zinc/95/26/57/562952657.db2.gz JKDWBMVJDQJSRM-YWEHKCAJSA-N 0 0 497.595 5.262 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2C)o1 ZINC000008686434 562952786 /nfs/dbraw/zinc/95/27/86/562952786.db2.gz HVLIAJWUZOGTRI-GDLZYMKVSA-N 0 0 483.612 6.144 40 0 aggregator JKABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008686467 562952818 /nfs/dbraw/zinc/95/28/18/562952818.db2.gz LHOGNGVYBQEXRM-DEOSSOPVSA-N 0 0 478.614 5.126 40 0 JKABRN Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1 ZINC000008687021 562953193 /nfs/dbraw/zinc/95/31/93/562953193.db2.gz PISKCYGQQAINRK-XMMPIXPASA-N 0 0 485.053 5.209 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000057313266 569596587 /nfs/dbraw/zinc/59/65/87/569596587.db2.gz SOKYKQRMRGPCOZ-UHFFFAOYSA-N 0 0 460.180 6.162 40 0 JKABRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=C\c2ccc(Cl)cc2)cc1 ZINC000054201181 569589430 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DRDDNHGASMKYNL-WYMLVPIESA-N 0 0 495.048 5.268 40 0 JKABRN Cc1ccccc1C(=O)NC(=S)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc21 ZINC000057312968 569596485 /nfs/dbraw/zinc/59/64/85/569596485.db2.gz CFAQSWSNSDAQFS-UHFFFAOYSA-N 0 0 460.024 5.518 40 0 JKABRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c(OC)c1 ZINC000057313415 569596557 /nfs/dbraw/zinc/59/65/57/569596557.db2.gz KNQKFHZYZHJFCI-UHFFFAOYSA-N 0 0 489.597 5.440 40 0 JKABRN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)ccc1NC(=O)c1ccccc1 ZINC000057313438 569596589 /nfs/dbraw/zinc/59/65/89/569596589.db2.gz RBOSDQCZPPMPCE-UHFFFAOYSA-N 0 0 467.363 5.806 40 0 JKABRN Cc1c(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cccc1-c1nc2ccccc2o1 ZINC000057313273 569596611 /nfs/dbraw/zinc/59/66/11/569596611.db2.gz QOHUGXRGQKAXPR-UHFFFAOYSA-N 0 0 465.347 6.362 40 0 JKABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc(-c2nc3ccccc3o2)c1O ZINC000057313402 569596616 /nfs/dbraw/zinc/59/66/16/569596616.db2.gz IIGSEUWMWIFCMM-WYMLVPIESA-N 0 0 495.560 6.295 40 0 JKABRN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2s1 ZINC000057313207 569596626 /nfs/dbraw/zinc/59/66/26/569596626.db2.gz UREWWLATMQIPJZ-UHFFFAOYSA-N 0 0 460.342 6.464 40 0 JKABRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000057313644 569596680 /nfs/dbraw/zinc/59/66/80/569596680.db2.gz QTRUFCNCKLMCCN-FBMGVBCBSA-N 0 0 491.591 5.869 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1Cl ZINC000057313520 569596707 /nfs/dbraw/zinc/59/67/07/569596707.db2.gz VPJSNHZUVUCHOK-CSKARUKUSA-N 0 0 481.832 7.042 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc2nsnc2c1 ZINC000057313682 569596720 /nfs/dbraw/zinc/59/67/20/569596720.db2.gz HMTHBVORNFCTQM-UHFFFAOYSA-N 0 0 465.947 5.280 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccc(Cl)c(Cl)c2)c1Cl ZINC000057313641 569596728 /nfs/dbraw/zinc/59/67/28/569596728.db2.gz OQWIWXVANZDMBM-UHFFFAOYSA-N 0 0 455.794 6.642 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc(C)c1I ZINC000057314008 569596780 /nfs/dbraw/zinc/59/67/80/569596780.db2.gz XVRPOSFVUVZVQO-UHFFFAOYSA-N 0 0 460.340 5.188 40 0 JKABRN Cc1cc(I)ccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000057313784 569596805 /nfs/dbraw/zinc/59/68/05/569596805.db2.gz WGDSVPMIIMQGLD-FMIVXFBMSA-N 0 0 488.350 5.386 40 0 JKABRN Cc1ccc2cccc(NC(=S)NC(=O)c3cccc4c(Br)cccc34)c2n1 ZINC000057313874 569596823 /nfs/dbraw/zinc/59/68/23/569596823.db2.gz NTNVVRHOGOHFPE-UHFFFAOYSA-N 0 0 450.361 5.586 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000057314089 569596836 /nfs/dbraw/zinc/59/68/36/569596836.db2.gz ZMDPYIQMRBHTJE-JQIJEIRASA-N 0 0 465.534 6.281 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)COc2ccc(C3CCCCC3)cc2)c1Cl ZINC000057314117 569596851 /nfs/dbraw/zinc/59/68/51/569596851.db2.gz RHIFBFVSXUBNDP-UHFFFAOYSA-N 0 0 499.076 7.148 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3)sc2c1 ZINC000057313949 569596858 /nfs/dbraw/zinc/59/68/58/569596858.db2.gz IBTFYMFCPRRDMU-UHFFFAOYSA-N 0 0 458.627 7.365 40 0 JKABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc2nc(C)ccc21 ZINC000057313990 569596859 /nfs/dbraw/zinc/59/68/59/569596859.db2.gz JUDMAZWXQFXDBB-VQHVLOKHSA-N 0 0 476.168 5.729 40 0 JKABRN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)c3)nc2c1 ZINC000057315570 569597133 /nfs/dbraw/zinc/59/71/33/569597133.db2.gz NRZMUOLEXPQJGU-DTQAZKPQSA-N 0 0 493.588 6.844 40 0 JKABRN CCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)cc2s1 ZINC000057315642 569597143 /nfs/dbraw/zinc/59/71/43/569597143.db2.gz PJHYOWXYSXPLJX-QPJJXVBHSA-N 0 0 450.347 5.612 40 0 JKABRN CC(C)c1ccc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc1 ZINC000057315671 569597152 /nfs/dbraw/zinc/59/71/52/569597152.db2.gz PYOQMJXNJJCOHD-UHFFFAOYSA-N 0 0 459.011 6.224 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000057315724 569597247 /nfs/dbraw/zinc/59/72/47/569597247.db2.gz XVASGTKEIWTUPB-UHFFFAOYSA-N 0 0 467.388 6.522 40 0 JKABRN CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000057315794 569597277 /nfs/dbraw/zinc/59/72/77/569597277.db2.gz INLCRTHXOYGXNN-SAPNQHFASA-N 0 0 493.592 5.769 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc(C)c1I ZINC000057315752 569597278 /nfs/dbraw/zinc/59/72/78/569597278.db2.gz ZDMVTRIDTOBEIF-UHFFFAOYSA-N 0 0 482.387 5.070 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000057315875 569597343 /nfs/dbraw/zinc/59/73/43/569597343.db2.gz QNWVBKHVYFQRPF-NTCAYCPXSA-N 0 0 483.524 6.420 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000057315968 569597353 /nfs/dbraw/zinc/59/73/53/569597353.db2.gz SRKMTQVQTOEAQW-NTCAYCPXSA-N 0 0 499.979 6.935 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000057315961 569597376 /nfs/dbraw/zinc/59/73/76/569597376.db2.gz WVNOECVSEGQGHN-UHFFFAOYSA-N 0 0 470.617 6.385 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3n2)cc1Cl ZINC000057316046 569597441 /nfs/dbraw/zinc/59/74/41/569597441.db2.gz MCKYCHYMMNQWDF-UHFFFAOYSA-N 0 0 493.007 6.176 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)CSc2ccc(Cl)cc2)c1Cl ZINC000057316069 569597446 /nfs/dbraw/zinc/59/74/46/569597446.db2.gz SZHXGUITULAFLS-UHFFFAOYSA-N 0 0 467.443 6.467 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057316357 569597659 /nfs/dbraw/zinc/59/76/59/569597659.db2.gz MSBUFFJWEAXRTF-UHFFFAOYSA-N 0 0 487.419 5.693 40 0 JKABRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000057316336 569597674 /nfs/dbraw/zinc/59/76/74/569597674.db2.gz CKLYYXKIGIBHFU-UHFFFAOYSA-N 0 0 479.783 5.176 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057316353 569597713 /nfs/dbraw/zinc/59/77/13/569597713.db2.gz NRYXREHHGSPNJO-UHFFFAOYSA-N 0 0 473.392 5.302 40 0 JKABRN O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1 ZINC000057316452 569597761 /nfs/dbraw/zinc/59/77/61/569597761.db2.gz NUTFQLMMPYYTII-UHFFFAOYSA-N 0 0 465.372 5.667 40 0 JKABRN O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1cc2ccccc2o1 ZINC000057316443 569597782 /nfs/dbraw/zinc/59/77/82/569597782.db2.gz MLRSMEDCJABIIC-UHFFFAOYSA-N 0 0 455.333 5.260 40 0 JKABRN CC(C)c1ccc(C=CC(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057316545 569597872 /nfs/dbraw/zinc/59/78/72/569597872.db2.gz LDIHBQXCCLJOJV-LHHJGKSTSA-N 0 0 483.431 6.037 40 0 JKABRN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057316595 569597883 /nfs/dbraw/zinc/59/78/83/569597883.db2.gz AOAVKLFEYVYKER-UHFFFAOYSA-N 0 0 487.463 5.806 40 0 JKABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)c3)nn12 ZINC000057316920 569598139 /nfs/dbraw/zinc/59/81/39/569598139.db2.gz AHNKRPLVJXTODE-UHFFFAOYSA-N 0 0 484.368 6.234 40 0 JKABRN COc1c(Cl)cc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000057317046 569598227 /nfs/dbraw/zinc/59/82/27/569598227.db2.gz SALWUBRZBNFNGO-UHFFFAOYSA-N 0 0 455.135 5.955 40 0 JKABRN CCc1nnc2sc(-c3cccc(NC(=O)c4cccc(OCc5ccccc5)c4)c3)nn12 ZINC000057316937 569598228 /nfs/dbraw/zinc/59/82/28/569598228.db2.gz 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/nfs/dbraw/zinc/67/72/61/569677261.db2.gz HPZOESSTHQXLQM-UHFFFAOYSA-N 0 0 450.538 7.549 40 0 JKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000035191481 569677937 /nfs/dbraw/zinc/67/79/37/569677937.db2.gz DNXBDNUZWSAXJS-FQEVSTJZSA-N 0 0 477.461 6.333 40 0 JKABRN CC[C@@H](C)c1ccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3ccc([C@@H](C)CC)cc3)C2)cc1 ZINC000035193926 569677981 /nfs/dbraw/zinc/67/79/81/569677981.db2.gz PSNUTZZEFQNGOL-KIHHCIJBSA-N 0 0 492.708 7.463 40 0 JKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000035191479 569677983 /nfs/dbraw/zinc/67/79/83/569677983.db2.gz DNXBDNUZWSAXJS-HXUWFJFHSA-N 0 0 477.461 6.333 40 0 JKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4sc5cc(Cl)ccc5c4Cl)c3)nc2c1 ZINC000035198139 569678072 /nfs/dbraw/zinc/67/80/72/569678072.db2.gz WYQITEMTHJKPRX-UHFFFAOYSA-N 0 0 487.795 8.230 40 0 JKABRN O=C(NC[C@H]1CCC[C@@H](CNC(=O)N[C@H]2CCCc3ccccc32)C1)N[C@@H]1CCCc2ccccc21 ZINC000035196467 569678091 /nfs/dbraw/zinc/67/80/91/569678091.db2.gz UXJXXVYKGRSNLT-OPQYHKBDSA-N 0 0 488.676 5.546 40 0 JKABRN CCOc1ccccc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(SC)cc1 ZINC000035200367 569678135 /nfs/dbraw/zinc/67/81/35/569678135.db2.gz PKSVKDCNKSBQMO-UHFFFAOYSA-N 0 0 491.034 5.295 40 0 JKABRN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccc(C)cc2)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000035240015 569678567 /nfs/dbraw/zinc/67/85/67/569678567.db2.gz XTDFQEAGDLZAKT-FQEVSTJZSA-N 0 0 460.643 7.021 40 0 JKABRN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1cccc2c(Br)cccc12 ZINC000035239892 569678588 /nfs/dbraw/zinc/67/85/88/569678588.db2.gz WSUCRHOPJHQIMG-UHFFFAOYSA-N 0 0 451.345 5.588 40 0 JKABRN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000035240715 569678685 /nfs/dbraw/zinc/67/86/85/569678685.db2.gz LYHUTCDRNIAARM-KRWDZBQOSA-N 0 0 481.061 7.366 40 0 JKABRN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000035240713 569678695 /nfs/dbraw/zinc/67/86/95/569678695.db2.gz LYHUTCDRNIAARM-QGZVFWFLSA-N 0 0 481.061 7.366 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000035240724 569678699 /nfs/dbraw/zinc/67/86/99/569678699.db2.gz FTDNUSNJUPDSQF-MRXNPFEDSA-N 0 0 485.024 7.196 40 0 JKABRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000035240153 569678703 /nfs/dbraw/zinc/67/87/03/569678703.db2.gz QODARBOGKQXRMM-YSMPRRRNSA-N 0 0 499.636 5.332 40 0 JKABRN Cc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Br)cc1 ZINC000035240261 569678706 /nfs/dbraw/zinc/67/87/06/569678706.db2.gz QPVVEEFHDKZNJJ-UHFFFAOYSA-N 0 0 473.798 6.349 40 0 JKABRN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000035240719 569678731 /nfs/dbraw/zinc/67/87/31/569678731.db2.gz BUCTVZAYAUIYCP-GOSISDBHSA-N 0 0 481.061 7.366 40 0 JKABRN CCOc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1 ZINC000035242533 569678846 /nfs/dbraw/zinc/67/88/46/569678846.db2.gz HXCBFWNYNMFQQQ-UHFFFAOYSA-N 0 0 496.676 6.311 40 0 JKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000035264081 569678928 /nfs/dbraw/zinc/67/89/28/569678928.db2.gz BHMXILSELUMLSF-UHFFFAOYSA-N 0 0 452.897 6.060 40 0 JKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc(COc2ccccc2)c1 ZINC000035270358 569679194 /nfs/dbraw/zinc/67/91/94/569679194.db2.gz CLZDSLASNFSQFJ-UHFFFAOYSA-N 0 0 482.923 5.972 40 0 JKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035269850 569679219 /nfs/dbraw/zinc/67/92/19/569679219.db2.gz NACBOYONTZEORJ-UHFFFAOYSA-N 0 0 489.984 5.881 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035271093 569679312 /nfs/dbraw/zinc/67/93/12/569679312.db2.gz OHDPQVXBLAECIX-AWNIVKPZSA-N 0 0 470.381 5.772 40 0 JKABRN Cc1ccc2cc3cc(C(=O)O[C@@H](C(=O)NC[C@@H]4CCCO4)c4ccccc4F)sc3nc2c1 ZINC000035288795 569679531 /nfs/dbraw/zinc/67/95/31/569679531.db2.gz JWEZNLNULJBFSA-FDDCHVKYSA-N 0 0 478.545 5.090 40 0 JKABRN COc1ccc(N(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)cc1 ZINC000035288783 569679552 /nfs/dbraw/zinc/67/95/52/569679552.db2.gz HNBFMXOTNGKBNK-HHHXNRCGSA-N 0 0 499.636 6.142 40 0 JKABRN Cc1cccc(N(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)c1 ZINC000035291623 569679641 /nfs/dbraw/zinc/67/96/41/569679641.db2.gz GQXCLXJKIGOJNT-HHHXNRCGSA-N 0 0 483.637 6.442 40 0 JKABRN Cc1ccc2nc(Cl)c(CN(Cc3ccc4c(c3)OCO4)C(=O)c3cccs3)cc2c1 ZINC000035313103 569680321 /nfs/dbraw/zinc/68/03/21/569680321.db2.gz ZTUCGQKWWJHTKA-UHFFFAOYSA-N 0 0 450.947 5.829 40 0 JKABRN COc1cccc(N(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)c1 ZINC000035313110 569680330 /nfs/dbraw/zinc/68/03/30/569680330.db2.gz GWIKJNGOBQYODT-MHZLTWQESA-N 0 0 499.636 6.142 40 0 JKABRN CCCOc1c(I)cc(C(=O)Nc2cccc3ccccc32)cc1OCC ZINC000035352283 569681809 /nfs/dbraw/zinc/68/18/09/569681809.db2.gz WWCRHLLKCADEGM-UHFFFAOYSA-N 0 0 475.326 5.884 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccccc2Sc2ccc(Cl)cc2)C1=O)N1CCCCC1 ZINC000035352655 569681920 /nfs/dbraw/zinc/68/19/20/569681920.db2.gz FIUPGMHHEUJYQP-XSFVSMFZSA-N 0 0 473.019 5.540 40 0 JKABRN CCCCC(=O)O[C@H]1CC[C@H]2[C@H]3CCc4cc(OCc5ccccc5F)ccc4[C@@H]3CC[C@]12C ZINC000035361455 569682175 /nfs/dbraw/zinc/68/21/75/569682175.db2.gz RWTHRPPTMAZWBT-XQZMFYDOSA-N 0 0 464.621 7.363 40 0 JKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000035362222 569682329 /nfs/dbraw/zinc/68/23/29/569682329.db2.gz QNNRVJQKDSFFJE-LBPRGKRZSA-N 0 0 469.825 6.042 40 0 JKABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000035363351 569682558 /nfs/dbraw/zinc/68/25/58/569682558.db2.gz YLRNSSOWZGGXHD-AWEZNQCLSA-N 0 0 492.432 5.135 40 0 JKABRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035374689 569684161 /nfs/dbraw/zinc/68/41/61/569684161.db2.gz PIDIKGQVSUCSGW-OHTANWTRSA-N 0 0 460.986 5.159 40 0 JKABRN Cc1ccc(CN(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000035377023 569685100 /nfs/dbraw/zinc/68/51/00/569685100.db2.gz PHNFTZMUVTUVJL-UHFFFAOYSA-N 0 0 492.685 6.182 40 0 JKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000035387141 569686932 /nfs/dbraw/zinc/68/69/32/569686932.db2.gz VFWIUJOFMPREDU-OAQYLSRUSA-N 0 0 485.949 5.595 40 0 JKABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)cc1Cl ZINC000035394608 569687244 /nfs/dbraw/zinc/68/72/44/569687244.db2.gz BFRMLVVVVZFYGT-UFFVCSGVSA-N 0 0 483.977 5.559 40 0 JKABRN C[C@H]1CC[C@H]2[C@H](CC[C@H](C)N2C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 ZINC000035396500 569687413 /nfs/dbraw/zinc/68/74/13/569687413.db2.gz MXFPPEOATZCSBR-OAZVVGOESA-N 0 0 456.512 5.844 40 0 JKABRN CCCCc1nc(Cl)c(COC(C)C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000067665169 569688910 /nfs/dbraw/zinc/68/89/10/569688910.db2.gz XDTUSKVHHYIRIG-UHFFFAOYSA-N 0 0 465.001 5.700 40 0 in-vitro JKABRN C[C@@H](C(=O)OC[C@@H](C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000068605519 569691495 /nfs/dbraw/zinc/69/14/95/569691495.db2.gz LGFXUQRYSFMSGQ-NHCUHLMSSA-N 0 0 456.532 7.749 40 0 JKABRN Cc1ccc(S(=O)(=O)[C@@H]2CCCCCCC[C@@H](S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000068604703 569691543 /nfs/dbraw/zinc/69/15/43/569691543.db2.gz VHUVNUYQZYDVRX-DHIUTWEWSA-N 0 0 462.677 5.813 40 0 JKABRN Cc1ccc(S(=O)(=O)[C@H]2CCCCCCC[C@H](S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000068604702 569691550 /nfs/dbraw/zinc/69/15/50/569691550.db2.gz VHUVNUYQZYDVRX-GOTSBHOMSA-N 0 0 462.677 5.813 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cc(I)ccc1Cl ZINC000072229878 569700596 /nfs/dbraw/zinc/70/05/96/569700596.db2.gz OCCUQTCKNXUXRF-LJQANCHMSA-N 0 0 498.147 5.932 40 0 JKABRN CCOc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1Cl ZINC000070138218 569695190 /nfs/dbraw/zinc/69/51/90/569695190.db2.gz BEILVFDLIYCJPX-UHFFFAOYSA-N 0 0 453.989 6.529 40 0 JKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000070454507 569695262 /nfs/dbraw/zinc/69/52/62/569695262.db2.gz CZCROZIJKBXZDP-ZOSLQKQRSA-N 0 0 456.667 6.285 40 0 biogenic JKABRN Cc1cc(C(=O)CSC2=N[C@@H]3SC=C(c4ccccc4)[C@H]3C(=O)N2C)c(C)n1-c1nccs1 ZINC000070503713 569695300 /nfs/dbraw/zinc/69/53/00/569695300.db2.gz WJXWWJWPPAIRFR-NHCUHLMSSA-N 0 0 494.667 5.025 40 0 JKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 ZINC000070691580 569695692 /nfs/dbraw/zinc/69/56/92/569695692.db2.gz LVRAKYNQYKVPIK-UJAIGCHNSA-N 0 0 458.683 6.365 40 0 biogenic JKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000070691582 569695704 /nfs/dbraw/zinc/69/57/04/569695704.db2.gz LVRAKYNQYKVPIK-MNTDSAFUSA-N 0 0 458.683 6.365 40 0 biogenic JKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)[C@@H]5[C@H](C[C@H]4[C@@H]3CC[C@H]2C1)O[C@]1(CC[C@@H](C)CO1)[C@H]5C ZINC000070687991 569695723 /nfs/dbraw/zinc/69/57/23/569695723.db2.gz CVKZWRTYHCDWTE-BJQKOOATSA-N 0 0 472.666 5.544 40 0 biogenic JKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000070691569 569695727 /nfs/dbraw/zinc/69/57/27/569695727.db2.gz CZCROZIJKBXZDP-ADFYSMSYSA-N 0 0 456.667 6.285 40 0 biogenic JKABRN CCc1ccc(-c2nn(-c3ccccc3)cc2CN(CCO)C(=S)Nc2ccccc2)cc1 ZINC000071195306 569696096 /nfs/dbraw/zinc/69/60/96/569696096.db2.gz VTTHVTYWECWXCN-UHFFFAOYSA-N 0 0 456.615 5.293 40 0 JKABRN O=S(=O)(N=[S@@](=O)(c1ccccc1)[C@@H](F)c1ccc(Br)cc1)c1ccccc1 ZINC000071256990 569696099 /nfs/dbraw/zinc/69/60/99/569696099.db2.gz GXZXKVBTTPNYCL-NIYFSFCBSA-N 0 0 468.369 5.333 40 0 JKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072214776 569700045 /nfs/dbraw/zinc/70/00/45/569700045.db2.gz YGSUUKVVXVGOQZ-QFIPXVFZSA-N 0 0 473.639 5.457 40 0 JKABRN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072214657 569700085 /nfs/dbraw/zinc/70/00/85/569700085.db2.gz CVAIRYVVRKEYSE-OAQYLSRUSA-N 0 0 459.612 5.067 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215076 569700149 /nfs/dbraw/zinc/70/01/49/569700149.db2.gz JQDXHMMNHXGDDW-QHCPKHFHSA-N 0 0 487.666 5.848 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215171 569700160 /nfs/dbraw/zinc/70/01/60/569700160.db2.gz XYCWSVKVYNVXHB-NFBKMPQASA-N 0 0 467.610 6.485 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215009 569700164 /nfs/dbraw/zinc/70/01/64/569700164.db2.gz QSKYXWICXIPMOB-HSZRJFAPSA-N 0 0 467.610 6.487 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C(=O)OC(C)(C)C)C(C)C)nc2)cc1 ZINC000072214897 569700190 /nfs/dbraw/zinc/70/01/90/569700190.db2.gz HVOCPXBDOJIXSP-QFIPXVFZSA-N 0 0 473.639 5.456 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072215133 569700208 /nfs/dbraw/zinc/70/02/08/569700208.db2.gz QTNZALPHFGRRKU-DENIHFKCSA-N 0 0 473.639 5.456 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072215017 569700226 /nfs/dbraw/zinc/70/02/26/569700226.db2.gz FUEACLLCPBTWHG-HSZRJFAPSA-N 0 0 487.666 5.848 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215008 569700234 /nfs/dbraw/zinc/70/02/34/569700234.db2.gz QSKYXWICXIPMOB-QHCPKHFHSA-N 0 0 467.610 6.487 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CC3)nc2)cc1 ZINC000072215361 569700254 /nfs/dbraw/zinc/70/02/54/569700254.db2.gz HRXJTCVLBZZIQV-QFIPXVFZSA-N 0 0 471.623 5.210 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215243 569700258 /nfs/dbraw/zinc/70/02/58/569700258.db2.gz FRJUESRAUMFYPI-KNQAVFIVSA-N 0 0 473.639 5.456 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CCC3)nc2)cc1 ZINC000072215451 569700270 /nfs/dbraw/zinc/70/02/70/569700270.db2.gz MWJJDRHMLFWZIL-JOCHJYFZSA-N 0 0 471.623 5.210 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000072215420 569700281 /nfs/dbraw/zinc/70/02/81/569700281.db2.gz ZPUVORQPUIMVPL-JOCHJYFZSA-N 0 0 471.623 5.210 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1)C1CCCC1 ZINC000072215592 569700289 /nfs/dbraw/zinc/70/02/89/569700289.db2.gz BLAYYOOIWNNOGH-DEOSSOPVSA-N 0 0 479.621 6.630 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215244 569700302 /nfs/dbraw/zinc/70/03/02/569700302.db2.gz FRJUESRAUMFYPI-UGKGYDQZSA-N 0 0 473.639 5.456 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1)C1CCC1 ZINC000072215498 569700314 /nfs/dbraw/zinc/70/03/14/569700314.db2.gz ZOXQZISMXTWVJL-JOCHJYFZSA-N 0 0 451.567 5.849 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000072215412 569700325 /nfs/dbraw/zinc/70/03/25/569700325.db2.gz CPFCWXQHXWDHQL-QFIPXVFZSA-N 0 0 451.567 5.849 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072215858 569700352 /nfs/dbraw/zinc/70/03/52/569700352.db2.gz NQPGHLIZZTYGBI-XMMPIXPASA-N 0 0 473.573 6.629 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1)C1CCCCC1 ZINC000072215713 569700353 /nfs/dbraw/zinc/70/03/53/569700353.db2.gz RLLUZDAAYFSLNB-RUZDIDTESA-N 0 0 493.648 7.020 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072215839 569700357 /nfs/dbraw/zinc/70/03/57/569700357.db2.gz IBTTXNTYYVPSRR-XMMPIXPASA-N 0 0 457.574 6.522 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(C(=O)OC(C)(C)C)c3ccccc3)nc2)cc1 ZINC000072215811 569700373 /nfs/dbraw/zinc/70/03/73/569700373.db2.gz TZCCRKCGBYCDSQ-XMMPIXPASA-N 0 0 493.629 5.989 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CCCCC3)nc2)cc1 ZINC000072215692 569700388 /nfs/dbraw/zinc/70/03/88/569700388.db2.gz BOHRFQHRPBWUOB-DEOSSOPVSA-N 0 0 499.677 5.990 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215831 569700395 /nfs/dbraw/zinc/70/03/95/569700395.db2.gz RIVNVDYUGDDZQA-NRFANRHFSA-N 0 0 453.583 6.617 40 0 JKABRN CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215782 569700400 /nfs/dbraw/zinc/70/04/00/569700400.db2.gz XDTJLVXTMJKKIQ-UHFFFAOYSA-N 0 0 475.630 6.034 40 0 JKABRN CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215842 569700436 /nfs/dbraw/zinc/70/04/36/569700436.db2.gz RYWWASIRHZOYSU-UHFFFAOYSA-N 0 0 469.582 6.033 40 0 JKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4cncc(Br)c4)c(C)c3s2)n1 ZINC000072228759 569700493 /nfs/dbraw/zinc/70/04/93/569700493.db2.gz BVQXTAHAOQWOOG-UHFFFAOYSA-N 0 0 456.369 5.125 40 0 JKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4c(C)cc(Cl)cc4Cl)c(C)c3s2)n1 ZINC000072228863 569700636 /nfs/dbraw/zinc/70/06/36/569700636.db2.gz DJIYOJXTZMCHCA-UHFFFAOYSA-N 0 0 489.428 6.348 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000072229934 569700717 /nfs/dbraw/zinc/70/07/17/569700717.db2.gz ZEEIDWAJUGIPDP-HSZRJFAPSA-N 0 0 456.300 6.727 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000072229913 569700739 /nfs/dbraw/zinc/70/07/39/569700739.db2.gz XVXZLHYLFWOSRF-QHCPKHFHSA-N 0 0 482.761 6.697 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000072229933 569700764 /nfs/dbraw/zinc/70/07/64/569700764.db2.gz ZEEIDWAJUGIPDP-QHCPKHFHSA-N 0 0 456.300 6.727 40 0 JKABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072229977 569700769 /nfs/dbraw/zinc/70/07/69/569700769.db2.gz LOWPIQPXMVCADT-HXUWFJFHSA-N 0 0 460.755 5.754 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1sc2cc(Cl)ccc2c1Cl ZINC000072229904 569700772 /nfs/dbraw/zinc/70/07/72/569700772.db2.gz INIAFXUPVCAZLW-HXUWFJFHSA-N 0 0 462.785 7.196 40 0 JKABRN O=C(COc1cccc(OCc2ccccc2)c1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230089 569700807 /nfs/dbraw/zinc/70/08/07/569700807.db2.gz HDCFWRZSYBPAKK-MUUNZHRXSA-N 0 0 473.956 6.018 40 0 JKABRN Cc1cc(C)n(-c2nc3c(ccc(Cl)c3N3CCN(C(=O)c4ccccc4Cl)CC3)s2)n1 ZINC000072230222 569700844 /nfs/dbraw/zinc/70/08/44/569700844.db2.gz MKPFVZQQVGHMMY-UHFFFAOYSA-N 0 0 486.428 5.368 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230079 569700853 /nfs/dbraw/zinc/70/08/53/569700853.db2.gz AUPOGJGKHCAVCJ-OAQYLSRUSA-N 0 0 474.782 5.980 40 0 JKABRN Cc1cc(C)n(-c2nc3c(ccc(Cl)c3N3CCN(C(=O)c4ccccc4C)CC3)s2)n1 ZINC000072230146 569700874 /nfs/dbraw/zinc/70/08/74/569700874.db2.gz KGMARDZMXDTIBH-UHFFFAOYSA-N 0 0 466.010 5.023 40 0 JKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072233868 569700974 /nfs/dbraw/zinc/70/09/74/569700974.db2.gz QBMATBVSVDEOIR-YOYSLXSVSA-N 0 0 487.080 7.021 40 0 JKABRN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccccc3Cl)cc12 ZINC000035533866 569701250 /nfs/dbraw/zinc/70/12/50/569701250.db2.gz ZFXNRXZQMQUIMC-UHFFFAOYSA-N 0 0 455.389 5.608 40 0 JKABRN CC(C)c1ccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000035533952 569701300 /nfs/dbraw/zinc/70/13/00/569701300.db2.gz SGMHMWLHBYVJKY-UHFFFAOYSA-N 0 0 452.533 6.255 40 0 JKABRN O=c1[nH]c2c(cc1CNc1ccc(C(F)(F)F)cc1)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000035533967 569701366 /nfs/dbraw/zinc/70/13/66/569701366.db2.gz IXWWSWUBVMTAIS-UHFFFAOYSA-N 0 0 478.449 6.151 40 0 JKABRN CC(C)(C)c1ccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000035533961 569701374 /nfs/dbraw/zinc/70/13/74/569701374.db2.gz UYPRDZNATVTGDL-UHFFFAOYSA-N 0 0 466.560 6.430 40 0 JKABRN COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(C(C)C)cc4)cc23)cc1OC ZINC000035533940 569701385 /nfs/dbraw/zinc/70/13/85/569701385.db2.gz NNZSBVCGMFFZHA-UHFFFAOYSA-N 0 0 494.595 6.134 40 0 JKABRN CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@@H]2[C@@H]1OC3=O ZINC000072332806 569703109 /nfs/dbraw/zinc/70/31/09/569703109.db2.gz BVJDDPRBYGBPKD-PCKPYFNISA-N 0 0 456.711 6.764 40 0 JKABRN O=C(Cc1cccs1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cs1 ZINC000072341229 569703432 /nfs/dbraw/zinc/70/34/32/569703432.db2.gz LGMHVADQLAZCSQ-UHFFFAOYSA-N 0 0 477.586 5.785 40 0 JKABRN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(N4CCOCC4)cc3)cc12 ZINC000072336308 569703444 /nfs/dbraw/zinc/70/34/44/569703444.db2.gz VKQVNQVPJVKZGI-UHFFFAOYSA-N 0 0 492.023 5.113 40 0 JKABRN O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1)c1ccc(F)c(F)c1 ZINC000072341227 569703454 /nfs/dbraw/zinc/70/34/54/569703454.db2.gz ADHWKWCNQDUBNJ-UHFFFAOYSA-N 0 0 481.568 6.200 40 0 JKABRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nc(Nc3cccc(C(F)(F)F)c3)cc(-c3ccncc3)n2)C1 ZINC000072341348 569703559 /nfs/dbraw/zinc/70/35/59/569703559.db2.gz SLMBLKUYWLUYMW-GOSISDBHSA-N 0 0 499.537 6.416 40 0 JKABRN CC(C)(C)OC(=O)N[C@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000072341339 569703563 /nfs/dbraw/zinc/70/35/63/569703563.db2.gz PYZSAQOFJRQSJH-SFHVURJKSA-N 0 0 485.510 5.683 40 0 JKABRN COc1ccccc1NC(=O)CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 ZINC000072420818 569703989 /nfs/dbraw/zinc/70/39/89/569703989.db2.gz QTDAPKKWFNJBOQ-UHFFFAOYSA-N 0 0 468.362 5.127 40 0 JKABRN C[C@H]1[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc3c(cc2O[C@@H]1N1CCOCC1)OCO3 ZINC000073417809 569704508 /nfs/dbraw/zinc/70/45/08/569704508.db2.gz SICREJOSBMSSEJ-ZUIZJCIVSA-N 0 0 481.633 5.535 40 0 JKABRN Cc1c2oc(-c3ccc(-c4ccccc4)cc3)nc2c(Br)c(N)c1Br ZINC000073639356 569704556 /nfs/dbraw/zinc/70/45/56/569704556.db2.gz ZRMBLJZZLGUOLW-UHFFFAOYSA-N 0 0 458.153 6.577 40 0 JKABRN Nc1c(Cl)cc(-c2nnc(-c3cc(Cl)c(N)c(Br)c3)o2)cc1Br ZINC000073634488 569704594 /nfs/dbraw/zinc/70/45/94/569704594.db2.gz YFXDZIGVZOEXFC-UHFFFAOYSA-N 0 0 478.959 5.400 40 0 JKABRN CCc1c2oc(-c3ccc(OC)c(Cl)c3)nc2c(Br)c(N)c1Br ZINC000073642773 569704715 /nfs/dbraw/zinc/70/47/15/569704715.db2.gz HMHFIYAFXNJAHX-UHFFFAOYSA-N 0 0 460.553 5.826 40 0 JKABRN FC(F)(F)C1(SCCCSC2(C(F)(F)F)SCCCS2)SCCCS1 ZINC000035575479 569704891 /nfs/dbraw/zinc/70/48/91/569704891.db2.gz WQBUNCMOQHKYDD-UHFFFAOYSA-N 0 0 480.677 7.015 40 0 JKABRN COC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)CC(c1ccccc1)c1ccccc1 ZINC000035572472 569704935 /nfs/dbraw/zinc/70/49/35/569704935.db2.gz UKKVYYMFBHQTKV-UHFFFAOYSA-N 0 0 465.593 6.073 40 0 JKABRN O=S(=O)(c1ccccc1)c1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 ZINC000077292570 569705562 /nfs/dbraw/zinc/70/55/62/569705562.db2.gz OLNXMTIPPDWVGT-XMMPIXPASA-N 0 0 487.408 5.981 40 0 in-vitro JKABRN CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)OCC)n1Cc1ccc(C(=O)OC)cc1 ZINC000077292136 569705579 /nfs/dbraw/zinc/70/55/79/569705579.db2.gz DRNXMWWTAZQPCI-RCCKNPSSSA-N 0 0 466.603 5.311 40 0 in-vitro JKABRN O=C(Nc1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)c1)c1cccc(Cl)c1 ZINC000035684155 569706801 /nfs/dbraw/zinc/70/68/01/569706801.db2.gz LMWRDCUJIPXYRU-UHFFFAOYSA-N 0 0 496.752 5.188 40 0 JKABRN CC(C)(O)c1ccccc1CC[C@@H](O)c1cccc(/C=C\c2ccc3ccc(Cl)cc3n2)c1 ZINC000080856450 569707995 /nfs/dbraw/zinc/70/79/95/569707995.db2.gz ZSHIDKYITZZTLA-XCSIDFAFSA-N 0 0 458.001 6.952 40 0 JKABRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000083298927 569708363 /nfs/dbraw/zinc/70/83/63/569708363.db2.gz MELLSXIVODWPSL-YBEGLDIGSA-N 0 0 469.993 5.144 40 0 JKABRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)c1ccc(Cl)cc1 ZINC000083306112 569708478 /nfs/dbraw/zinc/70/84/78/569708478.db2.gz GFYRSQHTANJUFB-YBFXNURJSA-N 0 0 472.711 6.211 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000035828502 569712723 /nfs/dbraw/zinc/71/27/23/569712723.db2.gz NVTAQODLHBKFID-SMIHKQSGSA-N 0 0 497.378 5.833 40 0 JKABRN c1ccc([C@@H](c2cccc3c2-c2ccccc2C3)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000090751332 569721074 /nfs/dbraw/zinc/72/10/74/569721074.db2.gz OKPMFVSHXLHSSR-LHEWISCISA-N 0 0 498.669 9.424 40 0 JKABRN Cc1cccc(NC(=O)OCCN(CCOC(=O)Nc2cccc(C)c2)Cc2ccccc2)c1 ZINC000090636114 569721133 /nfs/dbraw/zinc/72/11/33/569721133.db2.gz HMDARVHWGHINSZ-UHFFFAOYSA-N 0 0 461.562 5.603 40 0 JKABRN 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CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000222931470 569894756 /nfs/dbraw/zinc/89/47/56/569894756.db2.gz CPHRIPXGOKRSMN-RTWAWAEBSA-N 0 0 455.425 5.263 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1C ZINC000222932914 569894792 /nfs/dbraw/zinc/89/47/92/569894792.db2.gz WGRLZCXDNKQHGR-FQEVSTJZSA-N 0 0 462.615 5.474 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)cc1 ZINC000222933179 569894798 /nfs/dbraw/zinc/89/47/98/569894798.db2.gz CVZUFRNUENRWQF-FQEVSTJZSA-N 0 0 462.615 5.474 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1C ZINC000222933399 569894821 /nfs/dbraw/zinc/89/48/21/569894821.db2.gz HWIXTFLFKPWBBK-OAQYLSRUSA-N 0 0 476.642 5.782 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)c(C)c1 ZINC000222935118 569894849 /nfs/dbraw/zinc/89/48/49/569894849.db2.gz PQGIIGODZVPRHR-NRFANRHFSA-N 0 0 476.642 5.782 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222935886 569894891 /nfs/dbraw/zinc/89/48/91/569894891.db2.gz AKUVACBTYSLACG-MUUNZHRXSA-N 0 0 456.630 5.583 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2C)c(C)c1 ZINC000222935173 569894895 /nfs/dbraw/zinc/89/48/95/569894895.db2.gz PQGIIGODZVPRHR-OAQYLSRUSA-N 0 0 476.642 5.782 40 0 JKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222936805 569894917 /nfs/dbraw/zinc/89/49/17/569894917.db2.gz MEAKHEMRYMOLDM-LEWJYISDSA-N 0 0 456.409 5.733 40 0 JKABRN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000222939508 569894994 /nfs/dbraw/zinc/89/49/94/569894994.db2.gz WUCLWVFJEYIWGL-GOSISDBHSA-N 0 0 475.054 5.275 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000222940202 569895040 /nfs/dbraw/zinc/89/50/40/569895040.db2.gz OYJWYGBYKZQZPJ-SFHVURJKSA-N 0 0 485.455 6.411 40 0 JKABRN 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CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222974007 569895868 /nfs/dbraw/zinc/89/58/68/569895868.db2.gz DUQDLHSDUILRTL-QGZVFWFLSA-N 0 0 479.448 5.828 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(F)cc1 ZINC000222976021 569895895 /nfs/dbraw/zinc/89/58/95/569895895.db2.gz MOVFULKOTNGKIW-OAHLLOKOSA-N 0 0 485.452 5.698 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222973683 569895903 /nfs/dbraw/zinc/89/59/03/569895903.db2.gz QFTRHOZQPBDJPO-QGZVFWFLSA-N 0 0 465.421 5.321 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000222976437 569895928 /nfs/dbraw/zinc/89/59/28/569895928.db2.gz HVLBXMWURUSILL-LEWJYISDSA-N 0 0 455.425 5.407 40 0 JKABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000222976554 569895934 /nfs/dbraw/zinc/89/59/34/569895934.db2.gz DRZMLEMBEQMZBW-QUGAMOGWSA-N 0 0 481.017 5.614 40 0 JKABRN COc1ccccc1[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000222976615 569895947 /nfs/dbraw/zinc/89/59/47/569895947.db2.gz DRZMLEMBEQMZBW-QLXKLKPCSA-N 0 0 481.017 5.614 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000222976327 569895954 /nfs/dbraw/zinc/89/59/54/569895954.db2.gz HVLBXMWURUSILL-SFTDATJTSA-N 0 0 455.425 5.407 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000222980468 569895982 /nfs/dbraw/zinc/89/59/82/569895982.db2.gz BHFLNYXWFOTDKR-INIZCTEOSA-N 0 0 493.431 5.029 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000222978843 569895988 /nfs/dbraw/zinc/89/59/88/569895988.db2.gz CPWVGNKUNQHQOE-HNNXBMFYSA-N 0 0 469.840 5.911 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222983820 569896077 /nfs/dbraw/zinc/89/60/77/569896077.db2.gz JDNMJYLALLFQOT-ZDUSSCGKSA-N 0 0 490.258 6.175 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000222982442 569896096 /nfs/dbraw/zinc/89/60/96/569896096.db2.gz IQXIQNKMCQDMAS-QGZVFWFLSA-N 0 0 493.475 6.002 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222984444 569896127 /nfs/dbraw/zinc/89/61/27/569896127.db2.gz PSZPJARHQANUHH-SFTDATJTSA-N 0 0 474.399 6.016 40 0 JKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222984619 569896133 /nfs/dbraw/zinc/89/61/33/569896133.db2.gz PSZPJARHQANUHH-NHCUHLMSSA-N 0 0 474.399 6.016 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000222984816 569896142 /nfs/dbraw/zinc/89/61/42/569896142.db2.gz PLIMKJRPSCCSSU-FCHUYYIVSA-N 0 0 470.436 6.185 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000222984950 569896172 /nfs/dbraw/zinc/89/61/72/569896172.db2.gz RYVNAPZLTBNRQT-SFTDATJTSA-N 0 0 474.399 6.016 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1 ZINC000222986239 569896216 /nfs/dbraw/zinc/89/62/16/569896216.db2.gz BSOZNQRTAOFBPS-INIZCTEOSA-N 0 0 467.462 5.559 40 0 JKABRN Cc1ccccc1CSCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C ZINC000222986387 569896246 /nfs/dbraw/zinc/89/62/46/569896246.db2.gz XBDACQBJBXKXPH-KRWDZBQOSA-N 0 0 481.489 5.867 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222987484 569896261 /nfs/dbraw/zinc/89/62/61/569896261.db2.gz DSQVRDAJNUTBIR-OYHNWAKOSA-N 0 0 483.461 5.294 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222987585 569896264 /nfs/dbraw/zinc/89/62/64/569896264.db2.gz LOCNCLYUJAZAAE-HNNXBMFYSA-N 0 0 483.859 5.138 40 0 JKABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000222992839 569896393 /nfs/dbraw/zinc/89/63/93/569896393.db2.gz ADKKGLDJPKMQQJ-IBGZPJMESA-N 0 0 499.438 5.668 40 0 JKABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 ZINC000222992563 569896396 /nfs/dbraw/zinc/89/63/96/569896396.db2.gz VCMCIDZRBSNEQV-FQEVSTJZSA-N 0 0 464.993 5.015 40 0 JKABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000222992689 569896402 /nfs/dbraw/zinc/89/64/02/569896402.db2.gz GIXNBARRPKJQNO-FQEVSTJZSA-N 0 0 464.993 5.015 40 0 JKABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000222995490 569896456 /nfs/dbraw/zinc/89/64/56/569896456.db2.gz UTGRIDCDKFLPSF-FQEVSTJZSA-N 0 0 469.025 5.315 40 0 JKABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCc2ccccc2Cl)cc1 ZINC000222996603 569896491 /nfs/dbraw/zinc/89/64/91/569896491.db2.gz PHKWGARSCWRNFS-GOSISDBHSA-N 0 0 485.411 5.278 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1c(Cl)cccc1Cl ZINC000222998644 569896502 /nfs/dbraw/zinc/89/65/02/569896502.db2.gz NLFQJUQJSLWAPE-SFHVURJKSA-N 0 0 481.489 5.869 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1c(Cl)cccc1Cl ZINC000222998578 569896503 /nfs/dbraw/zinc/89/65/03/569896503.db2.gz NLFQJUQJSLWAPE-GOSISDBHSA-N 0 0 481.489 5.869 40 0 JKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000222997117 569896511 /nfs/dbraw/zinc/89/65/11/569896511.db2.gz HFYNWZLGMGMUNV-MIKFSWKUSA-N 0 0 466.606 6.042 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1c(F)cccc1Cl ZINC000222999202 569896558 /nfs/dbraw/zinc/89/65/58/569896558.db2.gz GBYJYVWBHBUDMT-GOSISDBHSA-N 0 0 465.034 5.354 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1c(F)cccc1Cl ZINC000222999270 569896567 /nfs/dbraw/zinc/89/65/67/569896567.db2.gz GBYJYVWBHBUDMT-SFHVURJKSA-N 0 0 465.034 5.354 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223008577 569896700 /nfs/dbraw/zinc/89/67/00/569896700.db2.gz WDPHOILZPPRIGA-GOSISDBHSA-N 0 0 491.503 6.556 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc2ccccc21 ZINC000223012780 569896787 /nfs/dbraw/zinc/89/67/87/569896787.db2.gz QMPGGIDCWXGOCF-KRWDZBQOSA-N 0 0 487.427 5.857 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223013692 569896830 /nfs/dbraw/zinc/89/68/30/569896830.db2.gz BXLGMYGTLSURRF-INIZCTEOSA-N 0 0 465.421 5.267 40 0 JKABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223013981 569896849 /nfs/dbraw/zinc/89/68/49/569896849.db2.gz BPMXOIXBAZNWRZ-SFHVURJKSA-N 0 0 479.448 5.629 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223017148 569896907 /nfs/dbraw/zinc/89/69/07/569896907.db2.gz KCYHRLZIXCDZPT-QGZVFWFLSA-N 0 0 463.449 5.820 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223017089 569896919 /nfs/dbraw/zinc/89/69/19/569896919.db2.gz KCYHRLZIXCDZPT-KRWDZBQOSA-N 0 0 463.449 5.820 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223016651 569896926 /nfs/dbraw/zinc/89/69/26/569896926.db2.gz LUCFJNWPRFJWFA-HXUWFJFHSA-N 0 0 453.435 5.088 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223017821 569896976 /nfs/dbraw/zinc/89/69/76/569896976.db2.gz GDTALGHLTIVGKL-LJAQVGFWSA-N 0 0 486.656 5.267 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223021534 569896992 /nfs/dbraw/zinc/89/69/92/569896992.db2.gz QAJRETWWDOJRRP-MRXNPFEDSA-N 0 0 451.394 5.013 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000223022716 569897058 /nfs/dbraw/zinc/89/70/58/569897058.db2.gz QEHHQOPDYINOJL-QGZVFWFLSA-N 0 0 465.421 5.321 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223023305 569897073 /nfs/dbraw/zinc/89/70/73/569897073.db2.gz XDIDJBWLSVYBMM-CQSZACIVSA-N 0 0 455.813 5.521 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223025758 569897124 /nfs/dbraw/zinc/89/71/24/569897124.db2.gz KLTUJTUDVMMECF-HHHXNRCGSA-N 0 0 490.669 5.645 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223027251 569897148 /nfs/dbraw/zinc/89/71/48/569897148.db2.gz VTCIDKCWMNEPRX-HHHXNRCGSA-N 0 0 492.641 5.037 40 0 JKABRN COc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223027497 569897179 /nfs/dbraw/zinc/89/71/79/569897179.db2.gz TYNPGQMZOXEJMT-KRWDZBQOSA-N 0 0 463.043 5.163 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223026839 569897189 /nfs/dbraw/zinc/89/71/89/569897189.db2.gz BLIPQXKBLVEBQL-LSDHHAIUSA-N 0 0 471.812 5.358 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223029475 569897198 /nfs/dbraw/zinc/89/71/98/569897198.db2.gz CVBOPBKWRACBEW-WOJBJXKFSA-N 0 0 461.071 5.522 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1Cl ZINC000223029742 569897223 /nfs/dbraw/zinc/89/72/23/569897223.db2.gz FTCUJRHNPYLCRT-IAGOWNOFSA-N 0 0 467.462 5.559 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223028546 569897244 /nfs/dbraw/zinc/89/72/44/569897244.db2.gz 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KRWWTLSYENVQSR-UFHPHHKVSA-N 0 0 486.656 5.744 40 0 JKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223310897 569906940 /nfs/dbraw/zinc/90/69/40/569906940.db2.gz KOUQHIQCNNQMJC-RUZDIDTESA-N 0 0 483.439 5.702 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223310970 569906943 /nfs/dbraw/zinc/90/69/43/569906943.db2.gz NSJOUBKHPVWNLH-JOCHJYFZSA-N 0 0 495.516 6.257 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000223311123 569906947 /nfs/dbraw/zinc/90/69/47/569906947.db2.gz YEWVHMKUWYOWIU-YIXXDRMTSA-N 0 0 472.629 5.237 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223310759 569906950 /nfs/dbraw/zinc/90/69/50/569906950.db2.gz UVDVXYYLEHNAKP-QFIPXVFZSA-N 0 0 495.516 6.257 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000223312723 569906981 /nfs/dbraw/zinc/90/69/81/569906981.db2.gz CQZCBEVHFBFNOT-QFQXNSOFSA-N 0 0 463.021 5.437 40 0 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CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223315098 569907169 /nfs/dbraw/zinc/90/71/69/569907169.db2.gz FKRATBMKPNWCIX-AREMUKBSSA-N 0 0 493.047 5.618 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1 ZINC000223315575 569907175 /nfs/dbraw/zinc/90/71/75/569907175.db2.gz LWSDLTRMFRGSAO-WXVAWEFUSA-N 0 0 493.047 5.582 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223315174 569907176 /nfs/dbraw/zinc/90/71/76/569907176.db2.gz MZJRTBVGEHBKPJ-IBGZPJMESA-N 0 0 479.448 5.794 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(Cl)cc1 ZINC000223315747 569907207 /nfs/dbraw/zinc/90/72/07/569907207.db2.gz HGSMCCWKMNSBIG-HXUWFJFHSA-N 0 0 467.462 5.808 40 0 JKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223316061 569907243 /nfs/dbraw/zinc/90/72/43/569907243.db2.gz QEKDONUCAXFZNX-XMMPIXPASA-N 0 0 469.412 5.312 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(Cl)c1 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/nfs/dbraw/zinc/90/76/79/569907679.db2.gz AMQHGBSSOVLNSB-SFHVURJKSA-N 0 0 479.448 5.829 40 0 JKABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1C(C)C ZINC000223328673 569907680 /nfs/dbraw/zinc/90/76/80/569907680.db2.gz YOEYXTQAPCLDHW-KRWDZBQOSA-N 0 0 470.407 6.299 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C)cc1C ZINC000223328193 569907692 /nfs/dbraw/zinc/90/76/92/569907692.db2.gz VVHNPBANLLKQBW-GOSISDBHSA-N 0 0 465.421 5.323 40 0 JKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1C(C)C ZINC000223328050 569907701 /nfs/dbraw/zinc/90/77/01/569907701.db2.gz FUQFPKUXOHXHFS-CQSZACIVSA-N 0 0 454.792 5.799 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(C)c1C ZINC000223328065 569907711 /nfs/dbraw/zinc/90/77/11/569907711.db2.gz IMTSNUABYGXPOK-GOSISDBHSA-N 0 0 465.421 5.323 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223329143 569907752 /nfs/dbraw/zinc/90/77/52/569907752.db2.gz WEOQKBUGGSWHOV-CQSZACIVSA-N 0 0 490.258 6.176 40 0 JKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1C(C)C ZINC000223330794 569907805 /nfs/dbraw/zinc/90/78/05/569907805.db2.gz HOXKXTIVRDHBQP-LJQANCHMSA-N 0 0 451.994 6.850 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000223331017 569907816 /nfs/dbraw/zinc/90/78/16/569907816.db2.gz YMAPVZBRDKDVDQ-HXUWFJFHSA-N 0 0 453.435 5.337 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223330457 569907818 /nfs/dbraw/zinc/90/78/18/569907818.db2.gz SPEQUQBCLOIJBF-HNNXBMFYSA-N 0 0 471.812 5.359 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccc(Cl)cc1 ZINC000223330732 569907822 /nfs/dbraw/zinc/90/78/22/569907822.db2.gz MLCGAXINMNHAFO-LJQANCHMSA-N 0 0 473.853 5.682 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223332833 569907829 /nfs/dbraw/zinc/90/78/29/569907829.db2.gz NYNBYVZIUUBGMK-HTAPYJJXSA-N 0 0 481.058 5.202 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223331888 569907846 /nfs/dbraw/zinc/90/78/46/569907846.db2.gz RWNSHICZHPKUFJ-LJQANCHMSA-N 0 0 495.516 6.177 40 0 JKABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223332775 569907859 /nfs/dbraw/zinc/90/78/59/569907859.db2.gz NYNBYVZIUUBGMK-JTSKRJEESA-N 0 0 481.058 5.202 40 0 JKABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1c(F)cccc1Cl ZINC000223331631 569907877 /nfs/dbraw/zinc/90/78/77/569907877.db2.gz GNPMRTZFWZLALT-IBGZPJMESA-N 0 0 491.843 5.573 40 0 JKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1C(C)C ZINC000223336352 569907880 /nfs/dbraw/zinc/90/78/80/569907880.db2.gz BHFBDPYMIWSUJU-SFHVURJKSA-N 0 0 490.691 5.124 40 0 JKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223333387 569907907 /nfs/dbraw/zinc/90/79/07/569907907.db2.gz SNRHVVZKPSONBO-LOSJGSFVSA-N 0 0 477.033 6.217 40 0 JKABRN Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1Cl ZINC000223336692 569907909 /nfs/dbraw/zinc/90/79/09/569907909.db2.gz FTVLFSLYZBSDPH-FGZHOGPDSA-N 0 0 452.942 5.431 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2nc3ccccc3s2)N1Cc1ccco1 ZINC000223335206 569907913 /nfs/dbraw/zinc/90/79/13/569907913.db2.gz UTEDPFKRKIQTSW-FGZHOGPDSA-N 0 0 457.584 5.248 40 0 JKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223333287 569907915 /nfs/dbraw/zinc/90/79/15/569907915.db2.gz SNRHVVZKPSONBO-JWQCQUIFSA-N 0 0 477.033 6.217 40 0 JKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223333346 569907916 /nfs/dbraw/zinc/90/79/16/569907916.db2.gz SNRHVVZKPSONBO-RPBOFIJWSA-N 0 0 477.033 6.217 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1Cc1ccco1 ZINC000223337499 569907933 /nfs/dbraw/zinc/90/79/33/569907933.db2.gz LGHDZCWNIOTPPT-FCHUYYIVSA-N 0 0 469.397 5.945 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1Cc1ccco1 ZINC000223337557 569907935 /nfs/dbraw/zinc/90/79/35/569907935.db2.gz LGHDZCWNIOTPPT-FGZHOGPDSA-N 0 0 469.397 5.945 40 0 JKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C(C)C ZINC000223339697 569907954 /nfs/dbraw/zinc/90/79/54/569907954.db2.gz FIQRCTGGTIPNPZ-NRFANRHFSA-N 0 0 463.643 6.789 40 0 JKABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2)S(C)(=O)=O)c1 ZINC000223339913 569907988 /nfs/dbraw/zinc/90/79/88/569907988.db2.gz JDOWKMOVOJVETL-NRFANRHFSA-N 0 0 450.604 5.069 40 0 JKABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000223343597 569908037 /nfs/dbraw/zinc/90/80/37/569908037.db2.gz FKHQUMABUITTAS-RUZDIDTESA-N 0 0 469.412 6.180 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000223346300 569908062 /nfs/dbraw/zinc/90/80/62/569908062.db2.gz RNLKLFADCAVWFO-SANMLTNESA-N 0 0 463.021 5.357 40 0 JKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000223346368 569908067 /nfs/dbraw/zinc/90/80/67/569908067.db2.gz GVJKVAPMYNPZFL-MOHJPFBDSA-N 0 0 454.551 6.258 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223345250 569908092 /nfs/dbraw/zinc/90/80/92/569908092.db2.gz FSJBJROWHXMRIH-QHCPKHFHSA-N 0 0 475.029 5.230 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 ZINC000223347972 569908102 /nfs/dbraw/zinc/90/81/02/569908102.db2.gz HEQJGVWKQFXHDP-VAVYLYDRSA-N 0 0 486.656 5.545 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 ZINC000223348086 569908109 /nfs/dbraw/zinc/90/81/09/569908109.db2.gz HEQJGVWKQFXHDP-IRPSRAIASA-N 0 0 486.656 5.545 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000223346553 569908128 /nfs/dbraw/zinc/90/81/28/569908128.db2.gz YAUUPODOVIVVDC-ABYGYWHVSA-N 0 0 470.657 5.791 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1Cl ZINC000223346945 569908134 /nfs/dbraw/zinc/90/81/34/569908134.db2.gz PKPAMYOOQZQDNH-LJQANCHMSA-N 0 0 451.394 5.094 40 0 JKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223347445 569908138 /nfs/dbraw/zinc/90/81/38/569908138.db2.gz JYAJLEOUNNXBNY-AREMUKBSSA-N 0 0 479.020 5.112 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000223346661 569908144 /nfs/dbraw/zinc/90/81/44/569908144.db2.gz YAUUPODOVIVVDC-SVEHJYQDSA-N 0 0 470.657 5.791 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 ZINC000223348485 569908190 /nfs/dbraw/zinc/90/81/90/569908190.db2.gz MVIQUVHRKBFQQK-VAVYLYDRSA-N 0 0 486.656 5.709 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 ZINC000223348222 569908197 /nfs/dbraw/zinc/90/81/97/569908197.db2.gz GWULAQCWSGYSPB-VAVYLYDRSA-N 0 0 486.656 5.545 40 0 JKABRN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1C(C)C ZINC000223349540 569908222 /nfs/dbraw/zinc/90/82/22/569908222.db2.gz VMRYAQPFCMRRHJ-GOSISDBHSA-N 0 0 477.476 6.523 40 0 JKABRN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1C(C)C ZINC000223349678 569908227 /nfs/dbraw/zinc/90/82/27/569908227.db2.gz BDBUOWCKRYHVJS-GOSISDBHSA-N 0 0 477.476 6.523 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000223350447 569908231 /nfs/dbraw/zinc/90/82/31/569908231.db2.gz MVWNHDNALYNFEF-VAVYLYDRSA-N 0 0 470.657 5.709 40 0 JKABRN COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C(C)C ZINC000223349871 569908237 /nfs/dbraw/zinc/90/82/37/569908237.db2.gz SVJIMUHXHSJYPE-SFHVURJKSA-N 0 0 477.476 6.523 40 0 JKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1Cl ZINC000223349773 569908241 /nfs/dbraw/zinc/90/82/41/569908241.db2.gz LAAJZNRVWBTIBM-HSZRJFAPSA-N 0 0 485.411 5.148 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223349319 569908268 /nfs/dbraw/zinc/90/82/68/569908268.db2.gz XRDLGWDSEWYVIL-SANMLTNESA-N 0 0 463.021 5.276 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223351226 569908297 /nfs/dbraw/zinc/90/82/97/569908297.db2.gz XEDAGVSJNRDGAY-OAQYLSRUSA-N 0 0 465.034 5.434 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)ccc1C ZINC000223351474 569908305 /nfs/dbraw/zinc/90/83/05/569908305.db2.gz PFEPZTFRUAMJSX-VWLOTQADSA-N 0 0 479.020 5.112 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223351914 569908306 /nfs/dbraw/zinc/90/83/06/569908306.db2.gz NBSADGJLNIJRPB-OAQYLSRUSA-N 0 0 475.029 5.012 40 0 JKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223351137 569908316 /nfs/dbraw/zinc/90/83/16/569908316.db2.gz NFIKWGBPHWKTKB-RUZDIDTESA-N 0 0 499.438 5.457 40 0 JKABRN COc1cc(C)c([C@@H](C)NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223353268 569908348 /nfs/dbraw/zinc/90/83/48/569908348.db2.gz AXKOBORBANJEAT-GOSISDBHSA-N 0 0 481.058 5.204 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223352454 569908363 /nfs/dbraw/zinc/90/83/63/569908363.db2.gz WCAFCRUZZRYYMY-XMMPIXPASA-N 0 0 457.058 6.118 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223355075 569908428 /nfs/dbraw/zinc/90/84/28/569908428.db2.gz NLUGAVAVOCDQBB-MHZLTWQESA-N 0 0 477.048 5.611 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223356323 569908433 /nfs/dbraw/zinc/90/84/33/569908433.db2.gz MSROYGWOLPHFHY-QFIPXVFZSA-N 0 0 495.516 6.588 40 0 JKABRN Cc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1 ZINC000223356346 569908475 /nfs/dbraw/zinc/90/84/75/569908475.db2.gz KSJWGXVGPVSGAB-WJOKGBTCSA-N 0 0 476.620 6.014 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Br)c2)N1Cc1ccco1 ZINC000223356600 569908483 /nfs/dbraw/zinc/90/84/83/569908483.db2.gz HBFMHNJSAFJQJN-FGZHOGPDSA-N 0 0 479.403 5.401 40 0 JKABRN COc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1 ZINC000223356905 569908487 /nfs/dbraw/zinc/90/84/87/569908487.db2.gz PAKBFENONJNPIF-WJOKGBTCSA-N 0 0 492.619 5.714 40 0 JKABRN O=C(CCc1ccccc1)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223357956 569908500 /nfs/dbraw/zinc/90/85/00/569908500.db2.gz VHRDFRIJWQWAJT-LJAQVGFWSA-N 0 0 463.581 5.101 40 0 JKABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223357566 569908502 /nfs/dbraw/zinc/90/85/02/569908502.db2.gz YNGNCZSOOAGIQE-FQEVSTJZSA-N 0 0 471.812 5.359 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Br)cc2)N1Cc1ccco1 ZINC000223356802 569908510 /nfs/dbraw/zinc/90/85/10/569908510.db2.gz IISARGGMMZCVCQ-FCHUYYIVSA-N 0 0 479.403 5.401 40 0 JKABRN O=C(CCc1ccccc1)N(Cc1ccccc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223357052 569908512 /nfs/dbraw/zinc/90/85/12/569908512.db2.gz PYEKMZXWGLYKFX-WJOKGBTCSA-N 0 0 476.620 5.748 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1 ZINC000223356958 569908513 /nfs/dbraw/zinc/90/85/13/569908513.db2.gz YWIGHTKDOSNIKZ-RXSCDKOLSA-N 0 0 452.579 5.733 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000223356898 569908516 /nfs/dbraw/zinc/90/85/16/569908516.db2.gz FFHOGISTLGWXFR-QFIPXVFZSA-N 0 0 461.071 5.604 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223360265 569908674 /nfs/dbraw/zinc/90/86/74/569908674.db2.gz GKTAQYFYRRIBKN-HVNZXBJASA-N 0 0 498.711 6.606 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1Cc1ccco1 ZINC000223360716 569908694 /nfs/dbraw/zinc/90/86/94/569908694.db2.gz FWWLVPMAVPRRRC-VXKWHMMOSA-N 0 0 468.003 6.245 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223360726 569908699 /nfs/dbraw/zinc/90/86/99/569908699.db2.gz MWAUJQIVEYUETI-OAQYLSRUSA-N 0 0 465.421 5.223 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223361418 569908710 /nfs/dbraw/zinc/90/87/10/569908710.db2.gz JWMSUXGVIWTTRT-HXUWFJFHSA-N 0 0 467.462 5.808 40 0 JKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000223361718 569908712 /nfs/dbraw/zinc/90/87/12/569908712.db2.gz KMVBKGFRMMGPDC-XMMPIXPASA-N 0 0 469.412 5.312 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223361515 569908739 /nfs/dbraw/zinc/90/87/39/569908739.db2.gz VPIPGCZFRDLGEG-IBGZPJMESA-N 0 0 479.448 5.794 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000223361442 569908749 /nfs/dbraw/zinc/90/87/49/569908749.db2.gz BJWYARQDVQSEON-OAQYLSRUSA-N 0 0 451.394 5.049 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000223361777 569908752 /nfs/dbraw/zinc/90/87/52/569908752.db2.gz KMVBKGFRMMGPDC-DEOSSOPVSA-N 0 0 469.412 5.312 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223362751 569908785 /nfs/dbraw/zinc/90/87/85/569908785.db2.gz TYEJVMHHBRCDQZ-OAQYLSRUSA-N 0 0 481.489 6.198 40 0 JKABRN CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223363457 569908808 /nfs/dbraw/zinc/90/88/08/569908808.db2.gz GJHXHYLFSFNRCN-MHZLTWQESA-N 0 0 479.020 5.195 40 0 JKABRN O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223363070 569908822 /nfs/dbraw/zinc/90/88/22/569908822.db2.gz AIWPNJRZSSEVPJ-MUUNZHRXSA-N 0 0 483.999 5.364 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223362886 569908834 /nfs/dbraw/zinc/90/88/34/569908834.db2.gz UJQBCZMQAZAFKF-JOCHJYFZSA-N 0 0 477.070 5.304 40 0 JKABRN Fc1cc(Br)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223364026 569908871 /nfs/dbraw/zinc/90/88/71/569908871.db2.gz LHNSCNDUJUMBBW-YADHBBJMSA-N 0 0 498.377 6.009 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 ZINC000223363996 569908876 /nfs/dbraw/zinc/90/88/76/569908876.db2.gz KLYITPITJGKUFO-DEOSSOPVSA-N 0 0 467.034 5.208 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](CC)C(=O)NC)cc1OCC ZINC000223364083 569908882 /nfs/dbraw/zinc/90/88/82/569908882.db2.gz 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0 0 461.071 5.605 40 0 JKABRN CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223804066 569923849 /nfs/dbraw/zinc/92/38/49/569923849.db2.gz UXSJLERKZJAEJW-GCJKJVERSA-N 0 0 459.428 5.104 40 0 JKABRN Cc1cccc(CN(C(=O)CCCN2c3cccc4cccc(c34)C2=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223806242 569923884 /nfs/dbraw/zinc/92/38/84/569923884.db2.gz DTEURGZRTZSUKK-JOCHJYFZSA-N 0 0 497.639 5.365 40 0 JKABRN Cc1cccc(CN(C(=O)CSCc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223806855 569923908 /nfs/dbraw/zinc/92/39/08/569923908.db2.gz IFUVZXIHNQPCIC-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN Cc1cccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223805650 569923921 /nfs/dbraw/zinc/92/39/21/569923921.db2.gz ZETXFMKJOIHIPU-OAQYLSRUSA-N 0 0 450.623 5.147 40 0 JKABRN Cc1cccc(CN(C(=O)CCCN2c3cccc4cccc(c34)C2=O)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223806237 569923932 /nfs/dbraw/zinc/92/39/32/569923932.db2.gz DTEURGZRTZSUKK-QFIPXVFZSA-N 0 0 497.639 5.365 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807605 569923939 /nfs/dbraw/zinc/92/39/39/569923939.db2.gz HNDDRBUAJMJQGS-QGZVFWFLSA-N 0 0 463.405 5.157 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000223807287 569923942 /nfs/dbraw/zinc/92/39/42/569923942.db2.gz SHKHNHLYWZKJII-QHCPKHFHSA-N 0 0 461.071 5.687 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223809059 569923991 /nfs/dbraw/zinc/92/39/91/569923991.db2.gz AOCJDGZVPWFLCW-OAQYLSRUSA-N 0 0 469.840 5.913 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223809080 569923996 /nfs/dbraw/zinc/92/39/96/569923996.db2.gz XYWOISFBIXVJIC-OAQYLSRUSA-N 0 0 469.840 5.913 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223809114 569923999 /nfs/dbraw/zinc/92/39/99/569923999.db2.gz UWEGJAPQICJFOA-NRFANRHFSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1F ZINC000223808635 569924003 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ZYUJAGMVCNUALK-FQEVSTJZSA-N 0 0 473.082 5.997 40 0 JKABRN Cc1ccc(CN(C(=O)CSCc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813751 569924115 /nfs/dbraw/zinc/92/41/15/569924115.db2.gz DXUJHTKUNLUXDL-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1c(F)cccc1Cl ZINC000223815144 569924141 /nfs/dbraw/zinc/92/41/41/569924141.db2.gz XGEMEDLPNOKMFP-INIZCTEOSA-N 0 0 497.463 5.842 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1Cl ZINC000223814526 569924151 /nfs/dbraw/zinc/92/41/51/569924151.db2.gz UYFJGLLWRUJDPC-OAHLLOKOSA-N 0 0 483.823 5.502 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223815047 569924156 /nfs/dbraw/zinc/92/41/56/569924156.db2.gz SLAMHLJSZJYCSO-HSZRJFAPSA-N 0 0 462.993 5.362 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223815272 569924159 /nfs/dbraw/zinc/92/41/59/569924159.db2.gz NIGHNWURMPNNMR-FQRUVTKNSA-N 0 0 497.466 6.091 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(Cl)cc1 ZINC000223814872 569924162 /nfs/dbraw/zinc/92/41/62/569924162.db2.gz NNSDAKXKVAJBGA-QGZVFWFLSA-N 0 0 479.473 5.703 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000223818315 569924190 /nfs/dbraw/zinc/92/41/90/569924190.db2.gz YCIXLFLWEGPOQI-JOCHJYFZSA-N 0 0 481.420 5.105 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223818031 569924198 /nfs/dbraw/zinc/92/41/98/569924198.db2.gz BSPGKBAWHWLQTB-NRFANRHFSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 ZINC000223818414 569924203 /nfs/dbraw/zinc/92/42/03/569924203.db2.gz JAQNKKDXCLQJQJ-OAQYLSRUSA-N 0 0 467.462 5.809 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C ZINC000223818220 569924204 /nfs/dbraw/zinc/92/42/04/569924204.db2.gz OYRIDBZCUURDCC-OAQYLSRUSA-N 0 0 465.421 5.404 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1 ZINC000223818512 569924208 /nfs/dbraw/zinc/92/42/08/569924208.db2.gz WYPADMOCIRLWDH-JOCHJYFZSA-N 0 0 481.489 5.950 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223817916 569924217 /nfs/dbraw/zinc/92/42/17/569924217.db2.gz YHVMJFCJLKFTGQ-OAQYLSRUSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223816356 569924226 /nfs/dbraw/zinc/92/42/26/569924226.db2.gz RWCVXQITVIFTKP-DEOSSOPVSA-N 0 0 486.628 5.279 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223817953 569924239 /nfs/dbraw/zinc/92/42/39/569924239.db2.gz UITXCFBRPNRRRG-OAQYLSRUSA-N 0 0 453.385 5.399 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223819812 569924250 /nfs/dbraw/zinc/92/42/50/569924250.db2.gz RZWKNOPWCDOHBI-SFHVURJKSA-N 0 0 477.432 5.629 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000223818871 569924256 /nfs/dbraw/zinc/92/42/56/569924256.db2.gz STXOBOZBJBENCB-HSZRJFAPSA-N 0 0 495.516 6.508 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223818594 569924259 /nfs/dbraw/zinc/92/42/59/569924259.db2.gz SRTGYQTVEFLGGU-QHCPKHFHSA-N 0 0 495.516 6.259 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 ZINC000223818773 569924265 /nfs/dbraw/zinc/92/42/65/569924265.db2.gz YZPJDAMBWCDXTA-JOCHJYFZSA-N 0 0 481.489 6.199 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 ZINC000223826136 569924410 /nfs/dbraw/zinc/92/44/10/569924410.db2.gz BEVIHZKSYVHWRQ-FTJBHMTQSA-N 0 0 454.599 5.757 40 0 JKABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)S(C)(=O)=O)c1 ZINC000223825114 569924416 /nfs/dbraw/zinc/92/44/16/569924416.db2.gz HLCIESLYIOYCGR-UHFFFAOYSA-N 0 0 494.657 5.202 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1 ZINC000223826491 569924423 /nfs/dbraw/zinc/92/44/23/569924423.db2.gz XGKYJDCMNZFJLF-CLJLJLNGSA-N 0 0 454.599 5.757 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000223827463 569924473 /nfs/dbraw/zinc/92/44/73/569924473.db2.gz AGTMSJMEZAQMHB-IBGZPJMESA-N 0 0 471.041 5.492 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(OC)c2)cc1 ZINC000223828449 569924500 /nfs/dbraw/zinc/92/45/00/569924500.db2.gz NKKVOCXWWRNGFR-IZZNHLLZSA-N 0 0 470.598 5.457 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223827817 569924503 /nfs/dbraw/zinc/92/45/03/569924503.db2.gz BOYBUYIVKYRDJM-KRWDZBQOSA-N 0 0 451.394 5.096 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223827717 569924518 /nfs/dbraw/zinc/92/45/18/569924518.db2.gz UHTCOFUDNKGSDY-LOSJGSFVSA-N 0 0 458.562 5.587 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223828788 569924522 /nfs/dbraw/zinc/92/45/22/569924522.db2.gz FZXMHXXZOIAYOM-DQEYMECFSA-N 0 0 456.571 5.154 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(OC)cc2)cc1 ZINC000223828648 569924545 /nfs/dbraw/zinc/92/45/45/569924545.db2.gz YSPGQNJDEPEQQW-IZZNHLLZSA-N 0 0 470.598 5.457 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)c(C)c2)cc1 ZINC000223830480 569924550 /nfs/dbraw/zinc/92/45/50/569924550.db2.gz YAIKMKJILQPYNW-KAYWLYCHSA-N 0 0 468.626 6.065 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)c(C)c2)cc1 ZINC000223830685 569924557 /nfs/dbraw/zinc/92/45/57/569924557.db2.gz WXQGRFCMTQFAOW-IZZNHLLZSA-N 0 0 489.044 6.410 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000223829170 569924572 /nfs/dbraw/zinc/92/45/72/569924572.db2.gz IHRFUHBMCJPYPP-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)c(C)c2)cc1 ZINC000223830627 569924584 /nfs/dbraw/zinc/92/45/84/569924584.db2.gz WXQGRFCMTQFAOW-FTJBHMTQSA-N 0 0 489.044 6.410 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223832381 569924605 /nfs/dbraw/zinc/92/46/05/569924605.db2.gz SKLUQVNXPYNKTC-LOSJGSFVSA-N 0 0 459.546 6.057 40 0 JKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223831486 569924606 /nfs/dbraw/zinc/92/46/06/569924606.db2.gz AAZISLUCXUJRSU-LJQANCHMSA-N 0 0 459.055 5.358 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)cc1 ZINC000223831680 569924613 /nfs/dbraw/zinc/92/46/13/569924613.db2.gz BJTPMEXDJUUQSG-LOSJGSFVSA-N 0 0 473.623 6.402 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223831044 569924631 /nfs/dbraw/zinc/92/46/31/569924631.db2.gz RHEGKRJKZHMKGS-INIZCTEOSA-N 0 0 465.446 5.562 40 0 JKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223831424 569924643 /nfs/dbraw/zinc/92/46/43/569924643.db2.gz AAZISLUCXUJRSU-IBGZPJMESA-N 0 0 459.055 5.358 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000223832575 569924657 /nfs/dbraw/zinc/92/46/57/569924657.db2.gz LDYHGLCWPYWFSD-RPBOFIJWSA-N 0 0 476.001 6.571 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000223832515 569924658 /nfs/dbraw/zinc/92/46/58/569924658.db2.gz LDYHGLCWPYWFSD-DQEYMECFSA-N 0 0 476.001 6.571 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000223832625 569924665 /nfs/dbraw/zinc/92/46/65/569924665.db2.gz LDYHGLCWPYWFSD-LOSJGSFVSA-N 0 0 476.001 6.571 40 0 JKABRN Cc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000223832472 569924690 /nfs/dbraw/zinc/92/46/90/569924690.db2.gz NPWWRPHUPFDHIF-UHFFFAOYSA-N 0 0 465.059 5.483 40 0 JKABRN COc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223832560 569924693 /nfs/dbraw/zinc/92/46/93/569924693.db2.gz BUCSWKBIIOUETD-GOSISDBHSA-N 0 0 475.054 5.058 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1Cl ZINC000223835534 569924726 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CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000223899677 569926626 /nfs/dbraw/zinc/92/66/26/569926626.db2.gz SIIMRRRZFPBLHK-NRFANRHFSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000223898361 569926649 /nfs/dbraw/zinc/92/66/49/569926649.db2.gz VDYWYCUEFOSFGV-NRFANRHFSA-N 0 0 453.385 5.399 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223901267 569926670 /nfs/dbraw/zinc/92/66/70/569926670.db2.gz XYPQFRQDJZXHFX-OAHLLOKOSA-N 0 0 451.369 5.151 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccc(C)cc1 ZINC000223900849 569926677 /nfs/dbraw/zinc/92/66/77/569926677.db2.gz DVQYLDVACBSPSB-QFIPXVFZSA-N 0 0 481.489 6.118 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1 ZINC000223901077 569926690 /nfs/dbraw/zinc/92/66/90/569926690.db2.gz SLTKICFHQRAWAH-QFIPXVFZSA-N 0 0 481.489 5.950 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1C ZINC000223901210 569926701 /nfs/dbraw/zinc/92/67/01/569926701.db2.gz XKLNULATFJEQBC-QHCPKHFHSA-N 0 0 495.516 6.259 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 ZINC000223902068 569926711 /nfs/dbraw/zinc/92/67/11/569926711.db2.gz DHZRWTNQHVIDSU-JOCHJYFZSA-N 0 0 481.489 6.199 40 0 JKABRN Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223902407 569926723 /nfs/dbraw/zinc/92/67/23/569926723.db2.gz WUJPSCGSRQIMRA-KRWDZBQOSA-N 0 0 463.405 5.157 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000223902596 569926747 /nfs/dbraw/zinc/92/67/47/569926747.db2.gz ICGMXXCSFWELOY-OAHLLOKOSA-N 0 0 483.823 5.502 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223901340 569926751 /nfs/dbraw/zinc/92/67/51/569926751.db2.gz FKIYNTWOKAFSOI-QHCPKHFHSA-N 0 0 495.516 6.259 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1 ZINC000223903709 569926769 /nfs/dbraw/zinc/92/67/69/569926769.db2.gz UCJFEDFYOOFAMH-QGZVFWFLSA-N 0 0 479.473 5.703 40 0 JKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223904001 569926774 /nfs/dbraw/zinc/92/67/74/569926774.db2.gz JOUYKIAHNVQGAU-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 ZINC000223905961 569926806 /nfs/dbraw/zinc/92/68/06/569926806.db2.gz MJTYJJUZRXARKM-JWQCQUIFSA-N 0 0 457.578 5.255 40 0 JKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223905167 569926807 /nfs/dbraw/zinc/92/68/07/569926807.db2.gz IDNJOBJNIVLSEY-IZZNHLLZSA-N 0 0 453.615 5.424 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223905200 569926821 /nfs/dbraw/zinc/92/68/21/569926821.db2.gz KOYYDAGWUQVTNW-GOSISDBHSA-N 0 0 493.500 6.260 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 ZINC000223905904 569926834 /nfs/dbraw/zinc/92/68/34/569926834.db2.gz MJTYJJUZRXARKM-LOSJGSFVSA-N 0 0 457.578 5.255 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223906381 569926838 /nfs/dbraw/zinc/92/68/38/569926838.db2.gz LFQGHQWZKWDQIN-LOSJGSFVSA-N 0 0 457.578 5.255 40 0 JKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223907720 569926867 /nfs/dbraw/zinc/92/68/67/569926867.db2.gz TYRFTIXIGDPBMW-RRPNLBNLSA-N 0 0 483.641 5.514 40 0 JKABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223907309 569926876 /nfs/dbraw/zinc/92/68/76/569926876.db2.gz VXSPDPAWOHKKNK-IZZNHLLZSA-N 0 0 469.614 5.124 40 0 JKABRN COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223907262 569926902 /nfs/dbraw/zinc/92/69/02/569926902.db2.gz VXSPDPAWOHKKNK-FTJBHMTQSA-N 0 0 469.614 5.124 40 0 JKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223907613 569926904 /nfs/dbraw/zinc/92/69/04/569926904.db2.gz TYRFTIXIGDPBMW-KAYWLYCHSA-N 0 0 483.641 5.514 40 0 JKABRN Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)ccc1Cl ZINC000223909077 569926931 /nfs/dbraw/zinc/92/69/31/569926931.db2.gz AGCVDDKWLVVBPG-FTJBHMTQSA-N 0 0 488.060 6.077 40 0 JKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1C ZINC000223908893 569926941 /nfs/dbraw/zinc/92/69/41/569926941.db2.gz DITYEZSJHLGJRX-RRPNLBNLSA-N 0 0 467.642 5.732 40 0 JKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ncc(Br)cc1Br ZINC000223908425 569926942 /nfs/dbraw/zinc/92/69/42/569926942.db2.gz VMGWZOCIDRRSQI-UHFFFAOYSA-N 0 0 467.186 5.353 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSCc1ccccc1 ZINC000223910401 569926991 /nfs/dbraw/zinc/92/69/91/569926991.db2.gz IHTOXBGSWLXZLX-MRXNPFEDSA-N 0 0 453.435 5.170 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 ZINC000223909939 569926996 /nfs/dbraw/zinc/92/69/96/569926996.db2.gz LDGYAJVHIHPHMU-DQEYMECFSA-N 0 0 472.639 6.069 40 0 JKABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1 ZINC000223911561 569927037 /nfs/dbraw/zinc/92/70/37/569927037.db2.gz SKMOXLJWCHDECZ-KAYWLYCHSA-N 0 0 484.625 5.983 40 0 JKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223912018 569927047 /nfs/dbraw/zinc/92/70/47/569927047.db2.gz FTFCYYCBTFFCAW-UHFFFAOYSA-N 0 0 452.004 6.633 40 0 JKABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223914447 569927096 /nfs/dbraw/zinc/92/70/96/569927096.db2.gz ZYUCODCGUFOHEW-FTJBHMTQSA-N 0 0 489.044 6.547 40 0 JKABRN C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)C1 ZINC000223916411 569927108 /nfs/dbraw/zinc/92/71/08/569927108.db2.gz DOACLFAYVSTDHO-IAGOWNOFSA-N 0 0 455.027 5.964 40 0 JKABRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1Cl ZINC000223914889 569927138 /nfs/dbraw/zinc/92/71/38/569927138.db2.gz YIGXLSSCPDRAPM-IZZNHLLZSA-N 0 0 489.044 6.547 40 0 JKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223916914 569927172 /nfs/dbraw/zinc/92/71/72/569927172.db2.gz FFASLPKIVVBCBG-WUFINQPMSA-N 0 0 481.669 6.041 40 0 JKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223916953 569927193 /nfs/dbraw/zinc/92/71/93/569927193.db2.gz FFASLPKIVVBCBG-NSOVKSMOSA-N 0 0 481.669 6.041 40 0 JKABRN CCc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223917770 569927252 /nfs/dbraw/zinc/92/72/52/569927252.db2.gz MXVZQOIXFPSYMJ-QFIPXVFZSA-N 0 0 464.631 5.247 40 0 JKABRN COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1 ZINC000223918745 569927275 /nfs/dbraw/zinc/92/72/75/569927275.db2.gz ARXKZZYCNXXMLJ-UIOOFZCWSA-N 0 0 498.608 5.371 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223919976 569927279 /nfs/dbraw/zinc/92/72/79/569927279.db2.gz KJUPZDWHRJVLPU-LBPRGKRZSA-N 0 0 462.204 5.396 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223919780 569927289 /nfs/dbraw/zinc/92/72/89/569927289.db2.gz BFYSDGQFJMYPID-GFCCVEGCSA-N 0 0 462.204 5.396 40 0 JKABRN CN(c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223919124 569927299 /nfs/dbraw/zinc/92/72/99/569927299.db2.gz RCRFZTZIILCQJN-UHFFFAOYSA-N 0 0 490.968 6.317 40 0 JKABRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000223920936 569927358 /nfs/dbraw/zinc/92/73/58/569927358.db2.gz LHLVFNMESJXVLU-SFHVURJKSA-N 0 0 460.665 5.027 40 0 JKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000223927608 569927560 /nfs/dbraw/zinc/92/75/60/569927560.db2.gz FXSPYIKQGWFKHW-SFHVURJKSA-N 0 0 461.433 5.629 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1Cl ZINC000223928128 569927562 /nfs/dbraw/zinc/92/75/62/569927562.db2.gz UASDWTBIUOJCAA-HNNXBMFYSA-N 0 0 483.823 5.502 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1c1ccc(N2CCOCC2)cc1 ZINC000223928354 569927583 /nfs/dbraw/zinc/92/75/83/569927583.db2.gz DIJXYWJWEWRUJM-FTJBHMTQSA-N 0 0 473.646 5.012 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1c1ccc(N2CCOCC2)cc1 ZINC000223928236 569927586 /nfs/dbraw/zinc/92/75/86/569927586.db2.gz DIJXYWJWEWRUJM-CLJLJLNGSA-N 0 0 473.646 5.012 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1C(C)C ZINC000223929712 569927610 /nfs/dbraw/zinc/92/76/10/569927610.db2.gz QXIBWOCOPGCCIZ-FTJBHMTQSA-N 0 0 475.662 5.095 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223930016 569927622 /nfs/dbraw/zinc/92/76/22/569927622.db2.gz WTHTUEPGVMBHLU-XMMPIXPASA-N 0 0 493.475 6.185 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc2ccccc21 ZINC000223929131 569927624 /nfs/dbraw/zinc/92/76/24/569927624.db2.gz LQIDQOFUYKGNJQ-SFHVURJKSA-N 0 0 499.438 6.002 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)ccc1Cl ZINC000223929543 569927635 /nfs/dbraw/zinc/92/76/35/569927635.db2.gz KNVBLMCTRVQVFO-INIZCTEOSA-N 0 0 497.850 5.810 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1cccc2ccccc21 ZINC000223928716 569927639 /nfs/dbraw/zinc/92/76/39/569927639.db2.gz ALPQIKWYNFQWOM-LJQANCHMSA-N 0 0 481.434 5.478 40 0 JKABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223930239 569927650 /nfs/dbraw/zinc/92/76/50/569927650.db2.gz JUQBVSBTLUOMQV-LJQANCHMSA-N 0 0 491.459 5.774 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223931507 569927662 /nfs/dbraw/zinc/92/76/62/569927662.db2.gz HVFVOPBTHDMFKQ-CQSZACIVSA-N 0 0 486.237 5.242 40 0 JKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2cccc3ccccc32)cc1 ZINC000223932239 569927688 /nfs/dbraw/zinc/92/76/88/569927688.db2.gz YYVBZGYKUAOXMU-XHPQRKPJSA-N 0 0 454.595 5.730 40 0 JKABRN Cc1cccc(OCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1C ZINC000223930784 569927692 /nfs/dbraw/zinc/92/76/92/569927692.db2.gz OEHHZSXKKJHGMB-MHZLTWQESA-N 0 0 495.044 5.540 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223933950 569927714 /nfs/dbraw/zinc/92/77/14/569927714.db2.gz AYQVOSFXMYZGET-HSZRJFAPSA-N 0 0 493.475 6.021 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)ccc1C ZINC000223933552 569927734 /nfs/dbraw/zinc/92/77/34/569927734.db2.gz CYUVHAHPKAZFEA-JOCHJYFZSA-N 0 0 479.448 5.713 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223936291 569927748 /nfs/dbraw/zinc/92/77/48/569927748.db2.gz CWNQKHHGSRVQQK-IBGZPJMESA-N 0 0 497.466 6.555 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223936258 569927762 /nfs/dbraw/zinc/92/77/62/569927762.db2.gz CEEIMKVPAWEECQ-QFIPXVFZSA-N 0 0 465.421 5.268 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1F ZINC000223936623 569927763 /nfs/dbraw/zinc/92/77/63/569927763.db2.gz ULRJVTSLYYUWDT-MRXNPFEDSA-N 0 0 497.463 5.842 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223936198 569927765 /nfs/dbraw/zinc/92/77/65/569927765.db2.gz CEEIMKVPAWEECQ-JOCHJYFZSA-N 0 0 465.421 5.268 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223936043 569927801 /nfs/dbraw/zinc/92/78/01/569927801.db2.gz IVHDQISXCFDSBW-JOCHJYFZSA-N 0 0 499.479 6.089 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223938623 569927823 /nfs/dbraw/zinc/92/78/23/569927823.db2.gz REVPQCMUQHHDFV-HNNXBMFYSA-N 0 0 451.369 5.151 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000223938260 569927849 /nfs/dbraw/zinc/92/78/49/569927849.db2.gz MHVPZEPYLGHVIL-GOSISDBHSA-N 0 0 477.432 5.465 40 0 JKABRN Cc1ccc(SCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223941145 569927903 /nfs/dbraw/zinc/92/79/03/569927903.db2.gz DHIFIXIFESWOTR-KRWDZBQOSA-N 0 0 479.473 5.870 40 0 JKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223941688 569927922 /nfs/dbraw/zinc/92/79/22/569927922.db2.gz XPFRLSDRLGWEFJ-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223942718 569927935 /nfs/dbraw/zinc/92/79/35/569927935.db2.gz VSMDXSJXOKMHSD-WUFINQPMSA-N 0 0 495.652 5.194 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(C)c1C ZINC000223943103 569927943 /nfs/dbraw/zinc/92/79/43/569927943.db2.gz IGEOIESTPJXGFT-QFIPXVFZSA-N 0 0 479.448 5.713 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223942882 569927950 /nfs/dbraw/zinc/92/79/50/569927950.db2.gz NGOPNHIQWUUGOK-SFHVURJKSA-N 0 0 493.500 6.260 40 0 JKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223942968 569927953 /nfs/dbraw/zinc/92/79/53/569927953.db2.gz XJTLASDCJPYJNA-WUFINQPMSA-N 0 0 495.652 5.194 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223942921 569927982 /nfs/dbraw/zinc/92/79/82/569927982.db2.gz PJTMXOAZXAUFIH-HSZRJFAPSA-N 0 0 493.475 6.219 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2C)cc1 ZINC000223944840 569927997 /nfs/dbraw/zinc/92/79/97/569927997.db2.gz ZQTANAIQAJZWNH-UHFFFAOYSA-N 0 0 480.630 5.211 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2C)cc1C ZINC000223948513 569928131 /nfs/dbraw/zinc/92/81/31/569928131.db2.gz JPJAJCJTZUKZQR-UHFFFAOYSA-N 0 0 484.577 6.564 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223947707 569928139 /nfs/dbraw/zinc/92/81/39/569928139.db2.gz LVBRMYLCGRNJFN-HSZRJFAPSA-N 0 0 477.070 5.555 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1c1ccc(N2CCOCC2)cc1 ZINC000223948527 569928146 /nfs/dbraw/zinc/92/81/46/569928146.db2.gz LRIZIOVCYGPABR-KAYWLYCHSA-N 0 0 482.609 5.355 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2C)cc1C ZINC000223949062 569928177 /nfs/dbraw/zinc/92/81/77/569928177.db2.gz BJWVCKOWZXYYKS-UHFFFAOYSA-N 0 0 494.657 5.519 40 0 JKABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223951538 569928202 /nfs/dbraw/zinc/92/82/02/569928202.db2.gz CWNFZYFXEILYBI-FQEVSTJZSA-N 0 0 485.049 5.592 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000223951239 569928208 /nfs/dbraw/zinc/92/82/08/569928208.db2.gz OGSNCVHQYBJIOG-UHFFFAOYSA-N 0 0 494.657 5.519 40 0 JKABRN CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000223951485 569928216 /nfs/dbraw/zinc/92/82/16/569928216.db2.gz ARGOHIMGRNZKKB-UHFFFAOYSA-N 0 0 480.630 5.174 40 0 JKABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223951481 569928223 /nfs/dbraw/zinc/92/82/23/569928223.db2.gz CWNFZYFXEILYBI-HXUWFJFHSA-N 0 0 485.049 5.592 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954300 569928275 /nfs/dbraw/zinc/92/82/75/569928275.db2.gz ZECDGJSOXWUYOZ-UIOOFZCWSA-N 0 0 473.646 5.012 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000223954579 569928283 /nfs/dbraw/zinc/92/82/83/569928283.db2.gz RRAFCMHMKABNOM-INIZCTEOSA-N 0 0 451.394 5.049 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954436 569928293 /nfs/dbraw/zinc/92/82/93/569928293.db2.gz JMCYPOFVCJIYDM-RRPNLBNLSA-N 0 0 487.673 5.402 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223953888 569928295 /nfs/dbraw/zinc/92/82/95/569928295.db2.gz SACKONGVQSQUEE-MRXNPFEDSA-N 0 0 465.421 5.223 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223953809 569928310 /nfs/dbraw/zinc/92/83/10/569928310.db2.gz DBENJPROSZUVEK-HNNXBMFYSA-N 0 0 471.812 5.196 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954355 569928322 /nfs/dbraw/zinc/92/83/22/569928322.db2.gz ZECDGJSOXWUYOZ-FTJBHMTQSA-N 0 0 473.646 5.012 40 0 JKABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223956688 569928393 /nfs/dbraw/zinc/92/83/93/569928393.db2.gz WOZPANHLUVHIPS-IBGZPJMESA-N 0 0 471.022 5.284 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223962604 569928592 /nfs/dbraw/zinc/92/85/92/569928592.db2.gz JTBXAMJMKMSULU-KRWDZBQOSA-N 0 0 495.845 5.205 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223963127 569928612 /nfs/dbraw/zinc/92/86/12/569928612.db2.gz QKBQRTUJLUIIPZ-INIZCTEOSA-N 0 0 451.394 5.049 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1 ZINC000223963172 569928648 /nfs/dbraw/zinc/92/86/48/569928648.db2.gz OETIUQPUACSESA-SXOMAYOGSA-N 0 0 496.640 5.079 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccnc3)c2C)cc1 ZINC000223964702 569928670 /nfs/dbraw/zinc/92/86/70/569928670.db2.gz ZMQIPRDIPRWRSA-IZZNHLLZSA-N 0 0 482.613 5.020 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccccc1 ZINC000223965361 569928737 /nfs/dbraw/zinc/92/87/37/569928737.db2.gz AHGRFEPNEAPBRC-CUNXSJBXSA-N 0 0 490.669 5.342 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223966203 569928768 /nfs/dbraw/zinc/92/87/68/569928768.db2.gz YWQGSFRERQBPPC-JWQCQUIFSA-N 0 0 488.016 5.661 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223966137 569928775 /nfs/dbraw/zinc/92/87/75/569928775.db2.gz YWQGSFRERQBPPC-LOSJGSFVSA-N 0 0 488.016 5.661 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223966994 569928846 /nfs/dbraw/zinc/92/88/46/569928846.db2.gz SUTKGYXXMXBSHW-KRWDZBQOSA-N 0 0 477.432 5.411 40 0 JKABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223967281 569928847 /nfs/dbraw/zinc/92/88/47/569928847.db2.gz NSHXXFXAMNBRCB-IBGZPJMESA-N 0 0 491.459 5.774 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223969716 569928904 /nfs/dbraw/zinc/92/89/04/569928904.db2.gz AASPGQPLNHTGGH-LJQANCHMSA-N 0 0 473.455 5.449 40 0 JKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223970349 569928928 /nfs/dbraw/zinc/92/89/28/569928928.db2.gz KUOSDKUPWXEFEK-LJQANCHMSA-N 0 0 489.487 6.526 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000223971735 569928950 /nfs/dbraw/zinc/92/89/50/569928950.db2.gz MSZAZNXLIAAHMF-MRXNPFEDSA-N 0 0 481.851 6.056 40 0 JKABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000223971281 569928962 /nfs/dbraw/zinc/92/89/62/569928962.db2.gz DPHHQWSPWUGDIK-UHFFFAOYSA-N 0 0 477.413 5.829 40 0 JKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c2ccccc2O1 ZINC000223973101 569929017 /nfs/dbraw/zinc/92/90/17/569929017.db2.gz KQZKTKDSGHLKCP-VWLOTQADSA-N 0 0 492.641 5.465 40 0 JKABRN CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1OCC ZINC000223972374 569929033 /nfs/dbraw/zinc/92/90/33/569929033.db2.gz NCLFUVNRCAAFHN-URPBSQGJSA-N 0 0 478.614 5.502 40 0 JKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223974666 569929060 /nfs/dbraw/zinc/92/90/60/569929060.db2.gz CKCNCVIMNUPSLD-UHFFFAOYSA-N 0 0 454.064 6.685 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223974377 569929106 /nfs/dbraw/zinc/92/91/06/569929106.db2.gz OALLMOUACBDDOK-KRWDZBQOSA-N 0 0 463.405 5.157 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223977601 569929164 /nfs/dbraw/zinc/92/91/64/569929164.db2.gz YJMKHDMEHXCTEX-XMMPIXPASA-N 0 0 499.438 5.539 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 ZINC000223978082 569929170 /nfs/dbraw/zinc/92/91/70/569929170.db2.gz QSJCVRCXJBQHLM-INIZCTEOSA-N 0 0 465.446 5.562 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223976582 569929193 /nfs/dbraw/zinc/92/91/93/569929193.db2.gz UXYVGFUNAABFPC-CQSZACIVSA-N 0 0 486.237 5.242 40 0 JKABRN C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCC3(c4ccc(Cl)cc4)CCCC3)cn2)C1 ZINC000223978858 569929232 /nfs/dbraw/zinc/92/92/32/569929232.db2.gz DTEWMYWSDRCLGS-RTBURBONSA-N 0 0 457.087 6.016 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223978393 569929237 /nfs/dbraw/zinc/92/92/37/569929237.db2.gz DJRKUGXQRKXGQO-RUZDIDTESA-N 0 0 481.061 5.598 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 ZINC000223978855 569929238 /nfs/dbraw/zinc/92/92/38/569929238.db2.gz IASYNJMUNOMXOC-MHZLTWQESA-N 0 0 474.670 5.395 40 0 JKABRN Cc1ccccc1CSCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223978625 569929255 /nfs/dbraw/zinc/92/92/55/569929255.db2.gz VHVURSUDWWBIIE-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223979835 569929270 /nfs/dbraw/zinc/92/92/70/569929270.db2.gz JHXTYSDZWGKUNW-HHHXNRCGSA-N 0 0 490.669 5.095 40 0 JKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000223979284 569929288 /nfs/dbraw/zinc/92/92/88/569929288.db2.gz XSWWONQOISJALK-UHFFFAOYSA-N 0 0 477.077 6.618 40 0 JKABRN Cc1ccc(Nc2ccc(NC(=S)NCC3(c4ccc(Cl)cc4)CCCC3)cn2)cc1 ZINC000223980065 569929298 /nfs/dbraw/zinc/92/92/98/569929298.db2.gz MVJIVSHMMWKJAL-UHFFFAOYSA-N 0 0 451.039 6.585 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223979757 569929300 /nfs/dbraw/zinc/92/93/00/569929300.db2.gz MOWVNFQZJXUVAX-SANMLTNESA-N 0 0 495.088 5.989 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223979327 569929303 /nfs/dbraw/zinc/92/93/03/569929303.db2.gz NUZBEZGFBZOPCH-AREMUKBSSA-N 0 0 495.088 5.740 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000223979626 569929304 /nfs/dbraw/zinc/92/93/04/569929304.db2.gz BAQQNTKULVPTKE-SANMLTNESA-N 0 0 460.643 5.335 40 0 JKABRN 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CCNC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000254519711 570105912 /nfs/dbraw/zinc/10/59/12/570105912.db2.gz OWNHVLJNXHRURU-FCVYVCDASA-N 0 0 457.743 8.143 40 0 JKABRN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)N(C)C1=S ZINC000409032062 570105980 /nfs/dbraw/zinc/10/59/80/570105980.db2.gz IPXXOMLIQKCFRL-BOPFTXTBSA-N 0 0 465.800 5.101 40 0 JKABRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCc1ccccc1Cl ZINC000409032446 570105998 /nfs/dbraw/zinc/10/59/98/570105998.db2.gz CCJGHFFPEHIMJY-JCMHNJIXSA-N 0 0 479.001 5.922 40 0 JKABRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)cc3)N(C)C2=S)cc1 ZINC000409033484 570106124 /nfs/dbraw/zinc/10/61/24/570106124.db2.gz FKRPSXAXNCHVEX-USHMODERSA-N 0 0 494.616 6.422 40 0 JKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000409033274 570106195 /nfs/dbraw/zinc/10/61/95/570106195.db2.gz KOOCKGUDEBUWKX-ITYLOYPMSA-N 0 0 450.563 6.023 40 0 JKABRN CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)N(C)C1=S ZINC000409033896 570106271 /nfs/dbraw/zinc/10/62/71/570106271.db2.gz FZWRJZYMEDOZSI-MFOYZWKCSA-N 0 0 495.826 5.110 40 0 JKABRN FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(-c3ccccc3)c(-c3ccccc3)nn21 ZINC000409034090 570106278 /nfs/dbraw/zinc/10/62/78/570106278.db2.gz HDVQSTHHJHSWFN-UHFFFAOYSA-N 0 0 494.314 7.512 40 0 JKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000409034952 570106327 /nfs/dbraw/zinc/10/63/27/570106327.db2.gz OMLYNXDAYWXOOU-STZFKDTASA-N 0 0 452.938 5.663 40 0 JKABRN Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 ZINC000409034632 570106338 /nfs/dbraw/zinc/10/63/38/570106338.db2.gz IEULSSIWBRMMSM-UQQQWYQISA-N 0 0 459.567 5.998 40 0 JKABRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N(C)C2=S)cc1 ZINC000409036766 570106701 /nfs/dbraw/zinc/10/67/01/570106701.db2.gz BHFPGIDZQOXRQK-MOSHPQCFSA-N 0 0 473.381 6.257 40 0 JKABRN CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409037222 570106825 /nfs/dbraw/zinc/10/68/25/570106825.db2.gz SRXFDFQQJONFCP-ZDLGFXPLSA-N 0 0 465.402 5.391 40 0 JKABRN CC(C)=C[C@@H]1O[C@@H]2C[C@]3(C)C4=C(CC[C@]3(C)[C@@H]2[C@H](C)[C@@H]1OC(C)=O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC4 ZINC000256546334 570107292 /nfs/dbraw/zinc/10/72/92/570107292.db2.gz CPTYJLQLCCZXEV-JOWLOVAESA-N 0 0 498.748 7.008 40 0 JKABRN CC(C)(C)c1ccc(-c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000409040262 570107301 /nfs/dbraw/zinc/10/73/01/570107301.db2.gz YCGLLIJSXQHCEF-UHFFFAOYSA-N 0 0 474.324 7.142 40 0 JKABRN CCOC(=O)CN1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000409043040 570107993 /nfs/dbraw/zinc/10/79/93/570107993.db2.gz PHJGZLIZPAQOMS-LPYMAVHISA-N 0 0 465.502 5.157 40 0 JKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000409043748 570108194 /nfs/dbraw/zinc/10/81/94/570108194.db2.gz ZKKBCNLWZYDXBV-STZFKDTASA-N 0 0 497.389 5.772 40 0 JKABRN Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)n1 ZINC000257201550 570108189 /nfs/dbraw/zinc/10/81/89/570108189.db2.gz AICARJCZLIKQBK-JOCHJYFZSA-N 0 0 457.574 5.032 40 0 JKABRN O=C(c1ccnc(Cc2cccc(F)c2)c1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 ZINC000257201612 570108210 /nfs/dbraw/zinc/10/82/10/570108210.db2.gz AIIBRWVHKLJYAE-AREMUKBSSA-N 0 0 455.533 5.758 40 0 JKABRN CCOC(=O)CN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409044432 570108259 /nfs/dbraw/zinc/10/82/59/570108259.db2.gz CCQQLLSCPAGJFU-CIAFOILYSA-N 0 0 468.962 5.251 40 0 JKABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O ZINC000409044421 570108289 /nfs/dbraw/zinc/10/82/89/570108289.db2.gz BZAPFAGCMARHPQ-VCHYOVAHSA-N 0 0 480.369 5.480 40 0 JKABRN Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCCCN2C(=O)c2ccccc2Cn2cccn2)n1 ZINC000257201676 570108337 /nfs/dbraw/zinc/10/83/37/570108337.db2.gz AINHJIXPBKBMLK-DEOSSOPVSA-N 0 0 471.536 5.329 40 0 JKABRN O=C([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccnc(-c4ccc(Cl)cc4)n3)o2)cc1O ZINC000257201947 570108344 /nfs/dbraw/zinc/10/83/44/570108344.db2.gz AJSYQMVPDOKDOD-JOCHJYFZSA-N 0 0 475.932 5.798 40 0 JKABRN C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)N(CCO)Cc3ccccc3)ccc2O1 ZINC000257202216 570108463 /nfs/dbraw/zinc/10/84/63/570108463.db2.gz AKYJZUQZLNVWIX-MUUNZHRXSA-N 0 0 464.005 5.230 40 0 JKABRN O=C(C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000257202646 570108666 /nfs/dbraw/zinc/10/86/66/570108666.db2.gz AMSRYRFBYPKNEY-SANMLTNESA-N 0 0 472.988 5.183 40 0 JKABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cccc(Nc4ncccn4)c3)C2)n1 ZINC000257203073 570108772 /nfs/dbraw/zinc/10/87/72/570108772.db2.gz AOONHSBYAXJXBI-OAQYLSRUSA-N 0 0 465.557 5.311 40 0 JKABRN O=C(c1ccccc1Cn1cccn1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257203232 570108792 /nfs/dbraw/zinc/10/87/92/570108792.db2.gz APDSEEURZFODFK-QHCPKHFHSA-N 0 0 454.549 5.076 40 0 JKABRN CCOC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)ccc1Cl ZINC000409046529 570108803 /nfs/dbraw/zinc/10/88/03/570108803.db2.gz KLTGYHIVDSMUJS-MSRUFZRRSA-N 0 0 471.940 5.087 40 0 JKABRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Cl)c1OCc1ccccc1F ZINC000409046600 570108831 /nfs/dbraw/zinc/10/88/31/570108831.db2.gz RSQQENBGLLNCLR-HMAPJEAMSA-N 0 0 496.991 6.061 40 0 JKABRN COc1ccccc1C(=O)N1CCC[C@](COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257204055 570108947 /nfs/dbraw/zinc/10/89/47/570108947.db2.gz ASWPKHSMPXFMIO-PMERELPUSA-N 0 0 486.612 5.045 40 0 JKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(N3CCCC3=O)cc2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257204872 570109235 /nfs/dbraw/zinc/10/92/35/570109235.db2.gz AWQNFNVKKPBGGT-ZEVJAHDQSA-N 0 0 454.998 5.591 40 0 JKABRN Cn1cnc2cc(C(=O)N3CCC[C@H](c4cccc(-c5cccc(C(F)(F)F)c5)n4)C3)ccc21 ZINC000257205039 570109274 /nfs/dbraw/zinc/10/92/74/570109274.db2.gz AXJLWLQNNKKXPQ-IBGZPJMESA-N 0 0 464.491 5.674 40 0 JKABRN CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1Cl ZINC000409048276 570109337 /nfs/dbraw/zinc/10/93/37/570109337.db2.gz VZMLAHKRILWINA-PDGQHHTCSA-N 0 0 452.359 5.816 40 0 JKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409048934 570109362 /nfs/dbraw/zinc/10/93/62/570109362.db2.gz PLNQYISXQNHCLJ-BKUYFWCQSA-N 0 0 487.383 6.316 40 0 JKABRN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1Br ZINC000409049381 570109480 /nfs/dbraw/zinc/10/94/80/570109480.db2.gz WKCCGUWXZWVDRW-UHFFFAOYSA-N 0 0 482.197 5.904 40 0 JKABRN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccccc2Nc2ccccc2)c1 ZINC000257206005 570109732 /nfs/dbraw/zinc/10/97/32/570109732.db2.gz BBLMCMWTVQOFOD-VWLOTQADSA-N 0 0 465.557 5.455 40 0 JKABRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1 ZINC000409050944 570109963 /nfs/dbraw/zinc/10/99/63/570109963.db2.gz DYNGXQYVWVWTKG-UHFFFAOYSA-N 0 0 450.538 7.536 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409051412 570110063 /nfs/dbraw/zinc/11/00/63/570110063.db2.gz CHTARBYJGHIARV-UHFFFAOYSA-N 0 0 491.440 5.748 40 0 JKABRN CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C1=O ZINC000409051674 570110086 /nfs/dbraw/zinc/11/00/86/570110086.db2.gz DPOXPULERVOZPM-LSCVHKIXSA-N 0 0 456.778 6.671 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)ccc1OCC(C)C ZINC000409051655 570110108 /nfs/dbraw/zinc/11/01/08/570110108.db2.gz MGUGNHMZYYTSSS-HMAPJEAMSA-N 0 0 459.539 5.375 40 0 JKABRN O=C(CC1(COc2ccc(Cl)cc2)CCN(C(=O)c2ccccc2)CC1)N1CCCCC1 ZINC000257207561 570110158 /nfs/dbraw/zinc/11/01/58/570110158.db2.gz BIHOPVFFLQHWFH-UHFFFAOYSA-N 0 0 454.998 5.044 40 0 JKABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](c2cncc(Oc3ccccc3C)n2)C1 ZINC000257207672 570110186 /nfs/dbraw/zinc/11/01/86/570110186.db2.gz BIRRVFHQDMSKSQ-QHCPKHFHSA-N 0 0 467.573 5.150 40 0 JKABRN O=C1S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409051881 570110203 /nfs/dbraw/zinc/11/02/03/570110203.db2.gz NWTOCMNMCKYQOG-HAHDFKILSA-N 0 0 483.948 6.173 40 0 JKABRN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000409052175 570110224 /nfs/dbraw/zinc/11/02/24/570110224.db2.gz GMHSWYVNGAACGX-UHFFFAOYSA-N 0 0 456.586 6.267 40 0 JKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O ZINC000409052380 570110294 /nfs/dbraw/zinc/11/02/94/570110294.db2.gz DINOOCLHSWTYHX-JAIQZWGSSA-N 0 0 466.386 6.417 40 0 JKABRN COc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)cc1Br ZINC000409052553 570110405 /nfs/dbraw/zinc/11/04/05/570110405.db2.gz KFHRZXMGNVBLKR-UHFFFAOYSA-N 0 0 471.401 6.562 40 0 JKABRN O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409052507 570110428 /nfs/dbraw/zinc/11/04/28/570110428.db2.gz ICSUNVYUJIQCPY-HAHDFKILSA-N 0 0 467.493 5.659 40 0 JKABRN Cc1cccc(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409052657 570110458 /nfs/dbraw/zinc/11/04/58/570110458.db2.gz HORQZEKLGVHVEA-UHFFFAOYSA-N 0 0 497.831 5.785 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409052909 570110569 /nfs/dbraw/zinc/11/05/69/570110569.db2.gz DTWUDNFWVBTAJU-GOSISDBHSA-N 0 0 491.440 5.370 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(Br)c1OC 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JKABRN Cc1ccc(CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409092182 570125170 /nfs/dbraw/zinc/12/51/70/570125170.db2.gz WGAPXPXTTJSJER-UHFFFAOYSA-N 0 0 496.938 5.497 40 0 JKABRN COc1ccc2c(c1)[C@@H]1O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C[C@H]1[C@@](C)(CCc1ccccc1)O2 ZINC000257256911 570125228 /nfs/dbraw/zinc/12/52/28/570125228.db2.gz KNJKTWDSPGOESJ-BZYVBHMXSA-N 0 0 493.644 6.182 40 0 JKABRN COc1cccc(-c2ccc(C(=O)N3CCC4(CO[C@@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)C4)CC3)cc2)c1 ZINC000257257386 570125358 /nfs/dbraw/zinc/12/53/58/570125358.db2.gz KPJSFLIPIHDLJE-IWVFXYMLSA-N 0 0 493.644 5.082 40 0 JKABRN Cc1nc2ccc(C(=O)N3CCC[C@@H](c4cccc(-c5cccc(Cl)c5)n4)C3)cc2nc1C ZINC000257257680 570125561 /nfs/dbraw/zinc/12/55/61/570125561.db2.gz KQRREERFJYODTG-OAQYLSRUSA-N 0 0 456.977 5.982 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)Cc2c(Cl)cccc2Cl)cc1 ZINC000409093435 570125613 /nfs/dbraw/zinc/12/56/13/570125613.db2.gz ZDLUZUPYDUOIJX-UHFFFAOYSA-N 0 0 499.366 5.410 40 0 JKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000409093750 570125725 /nfs/dbraw/zinc/12/57/25/570125725.db2.gz AWOFCIYXRPEFSE-UHFFFAOYSA-N 0 0 477.033 6.113 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1C ZINC000409093674 570125759 /nfs/dbraw/zinc/12/57/59/570125759.db2.gz BOPQSJHTZWXVNG-UHFFFAOYSA-N 0 0 497.451 6.897 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409094446 570125944 /nfs/dbraw/zinc/12/59/44/570125944.db2.gz DVVNXAKQRIYSIQ-SYXCRGJESA-N 0 0 491.565 5.415 40 0 JKABRN O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000409094387 570126035 /nfs/dbraw/zinc/12/60/35/570126035.db2.gz DMBVJZSTMQVGKV-MTJSOVHGSA-N 0 0 456.336 6.253 40 0 JKABRN CCOc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409094299 570126058 /nfs/dbraw/zinc/12/60/58/570126058.db2.gz DAZNKLKPHZBCAO-UHFFFAOYSA-N 0 0 490.843 7.586 40 0 JKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(CC)cc2)cc1 ZINC000409094693 570126106 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Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000409097694 570127249 /nfs/dbraw/zinc/12/72/49/570127249.db2.gz JCCBJWYCALFTST-UHFFFAOYSA-N 0 0 497.451 6.513 40 0 JKABRN Cc1cccc(-n2c(SCC(=O)Nc3ccc(Br)cc3F)nnc2-c2ccncc2)c1 ZINC000409098030 570127332 /nfs/dbraw/zinc/12/73/32/570127332.db2.gz IDLLVVGKFLLPIJ-UHFFFAOYSA-N 0 0 498.381 5.270 40 0 JKABRN CN1C(=O)C2(C[C@@H]1Cc1ccc(F)cc1)CCN(C(=O)c1ccccc1-c1ccccc1)CC2 ZINC000257263099 570127309 /nfs/dbraw/zinc/12/73/09/570127309.db2.gz LOJKWYBSFDBHBP-DEOSSOPVSA-N 0 0 456.561 5.189 40 0 JKABRN CCOc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409098061 570127390 /nfs/dbraw/zinc/12/73/90/570127390.db2.gz JZFFHWWAMTZXQB-UHFFFAOYSA-N 0 0 490.843 7.586 40 0 JKABRN CCc1ccc(C2=NN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409098308 570127433 /nfs/dbraw/zinc/12/74/33/570127433.db2.gz KWZZMFBQBCAOBZ-ODXCJYRJSA-N 0 0 475.294 5.211 40 0 JKABRN CCc1ccc(-n2c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nnc2-c2ccccc2)cc1 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479.506 5.708 40 0 JKABRN O=C(c1ccccc1Cn1cccn1)N1CCCC[C@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257294206 570136688 /nfs/dbraw/zinc/13/66/88/570136688.db2.gz QTAVDBXHOLETSL-QHCPKHFHSA-N 0 0 479.506 5.708 40 0 JKABRN Cc1ccc(N2C(=O)S/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000409123585 570136852 /nfs/dbraw/zinc/13/68/52/570136852.db2.gz DAHXGACQTJIFTN-UQQQWYQISA-N 0 0 454.551 6.270 40 0 JKABRN O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1CCOc1ccc(F)cc1 ZINC000409123535 570136853 /nfs/dbraw/zinc/13/68/53/570136853.db2.gz GXLZFGKYTDKERQ-NVMNQCDNSA-N 0 0 461.312 5.185 40 0 JKABRN CC(C)Cn1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000409123511 570136858 /nfs/dbraw/zinc/13/68/58/570136858.db2.gz GSITTYSDSSVECQ-NHDPSOOVSA-N 0 0 469.404 6.296 40 0 JKABRN Cc1noc2nc(C)cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)c12 ZINC000257294951 570136867 /nfs/dbraw/zinc/13/68/67/570136867.db2.gz QWJWTSSZAYAXRR-KRWDZBQOSA-N 0 0 450.926 5.092 40 0 JKABRN CCOc1cc(Br)c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 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499.803 5.489 40 0 JKABRN COc1ccc(C(=O)N2CCC[C@H](Cc3cccc4cccnc43)C2)cc1NCc1cccnc1 ZINC000257298007 570137788 /nfs/dbraw/zinc/13/77/88/570137788.db2.gz RJSMIUFJHVEDLJ-OAQYLSRUSA-N 0 0 466.585 5.345 40 0 JKABRN COc1ccc(C2(C(=O)N3CCC[C@H]3c3cncc(Cc4cccc(F)c4)n3)CCCC2)cc1 ZINC000257298451 570137948 /nfs/dbraw/zinc/13/79/48/570137948.db2.gz RLQSYTLXVDZYFI-SANMLTNESA-N 0 0 459.565 5.391 40 0 JKABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc(-c4cccc(F)c4)no3)o2)c1 ZINC000257298842 570138018 /nfs/dbraw/zinc/13/80/18/570138018.db2.gz RNLXKDJXBOBJBD-HSZRJFAPSA-N 0 0 461.493 5.436 40 0 JKABRN CCCCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC[C@@H]3C)c3c2cccc3CC)C1=O ZINC000409126259 570138052 /nfs/dbraw/zinc/13/80/52/570138052.db2.gz BCCOPHBTZJMHFX-CEZZIEKDSA-N 0 0 467.635 5.441 40 0 JKABRN O=C(CCCNc1ncnc2ccccc21)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257298679 570138132 /nfs/dbraw/zinc/13/81/32/570138132.db2.gz RMVQDODWQNIVLB-VWLOTQADSA-N 0 0 487.007 5.220 40 0 JKABRN 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Cc1nccn1Cc1ccccc1C(=O)N1CCC(c2nc(C)cc(Oc3ccccc3)n2)CC1 ZINC000257302919 570139349 /nfs/dbraw/zinc/13/93/49/570139349.db2.gz SEZXRHBNYUHRKK-UHFFFAOYSA-N 0 0 467.573 5.150 40 0 JKABRN CCOc1cc(Br)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OCC ZINC000409129600 570139543 /nfs/dbraw/zinc/13/95/43/570139543.db2.gz UTONGXCWJDRYRO-YBFXNURJSA-N 0 0 468.413 5.863 40 0 JKABRN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@@H]1C[C@@H](NC(=O)C(C)(C)C)c1ccccn1 ZINC000257304143 570139570 /nfs/dbraw/zinc/13/95/70/570139570.db2.gz SKGKAIQYJWGLSF-DENIHFKCSA-N 0 0 482.024 6.078 40 0 JKABRN CC(C)N1C(=O)S/C(=C\c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)C1=O ZINC000409129608 570139573 /nfs/dbraw/zinc/13/95/73/570139573.db2.gz UVPPVHXRNSBVPD-UKWGHVSLSA-N 0 0 489.822 6.550 40 0 JKABRN O=C(c1ccc(Cc2ccccc2F)nc1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257304177 570139642 /nfs/dbraw/zinc/13/96/42/570139642.db2.gz SKJWCHAWTIZWLH-RUZDIDTESA-N 0 0 459.496 5.507 40 0 JKABRN CCOc1ccccc1N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409129998 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CC(C)(C)Nc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328957641 570179277 /nfs/dbraw/zinc/17/92/77/570179277.db2.gz AKISWDIRGRHZTJ-UHFFFAOYSA-N 0 0 450.892 6.518 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328958464 570179315 /nfs/dbraw/zinc/17/93/15/570179315.db2.gz AOWQUTJLWPAKTR-LBPRGKRZSA-N 0 0 499.306 5.742 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328959350 570179358 /nfs/dbraw/zinc/17/93/58/570179358.db2.gz ATKBERKRIYOBKM-GFCCVEGCSA-N 0 0 471.310 6.147 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C1=O ZINC000409235052 570179365 /nfs/dbraw/zinc/17/93/65/570179365.db2.gz NQRRKVXVHNUUED-NTEUORMPSA-N 0 0 458.786 6.293 40 0 JKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000409235149 570179415 /nfs/dbraw/zinc/17/94/15/570179415.db2.gz BEVQJSIKTFJEES-MQMKENTISA-N 0 0 474.966 5.201 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328961045 570179430 /nfs/dbraw/zinc/17/94/30/570179430.db2.gz BALZFLZVTDIGCV-IBGZPJMESA-N 0 0 450.436 5.354 40 0 JKABRN COC(=O)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)cc1 ZINC000328959441 570179434 /nfs/dbraw/zinc/17/94/34/570179434.db2.gz AUEIUMVFBYCRNU-FQEVSTJZSA-N 0 0 490.482 5.001 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409235563 570179475 /nfs/dbraw/zinc/17/94/75/570179475.db2.gz CGVMNHBDTLXWMV-YDZHTSKRSA-N 0 0 476.960 5.637 40 0 JKABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 ZINC000409235571 570179492 /nfs/dbraw/zinc/17/94/92/570179492.db2.gz CHXNJMDRTLOHRE-MRXNPFEDSA-N 0 0 477.413 5.604 40 0 JKABRN CC(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328961940 570179522 /nfs/dbraw/zinc/17/95/22/570179522.db2.gz BFRKSSDXAJCXGF-UHFFFAOYSA-N 0 0 451.290 5.333 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1)c1ccccc1 ZINC000409235840 570179643 /nfs/dbraw/zinc/17/96/43/570179643.db2.gz CLNYZSGMWPNDRO-KRWDZBQOSA-N 0 0 487.419 5.060 40 0 JKABRN Clc1cccc(Nc2cc(N3CCc4ccc(Br)cc4C3)nc(C3CC3)n2)c1 ZINC000328966947 570179828 /nfs/dbraw/zinc/17/98/28/570179828.db2.gz CPKMRKNTOLWCAU-UHFFFAOYSA-N 0 0 455.787 6.076 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O)Nc1cccc(F)c1 ZINC000409236379 570179878 /nfs/dbraw/zinc/17/98/78/570179878.db2.gz FMWOGAJNXDWVEY-XDHOZWIPSA-N 0 0 489.450 5.310 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)cc1C(F)(F)F ZINC000328971230 570179943 /nfs/dbraw/zinc/17/99/43/570179943.db2.gz DOEUYLNHSXKPLC-UHFFFAOYSA-N 0 0 470.417 5.777 40 0 JKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](C)CO)n2)ccc1C(C)C ZINC000328970729 570179985 /nfs/dbraw/zinc/17/99/85/570179985.db2.gz DLSGHXUDDCDJNV-INIZCTEOSA-N 0 0 460.500 6.010 40 0 JKABRN Cc1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328974180 570180095 /nfs/dbraw/zinc/18/00/95/570180095.db2.gz FDUKPJNLMUUPSF-FQEVSTJZSA-N 0 0 480.918 6.176 40 0 JKABRN CCOc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1 ZINC000328977643 570180253 /nfs/dbraw/zinc/18/02/53/570180253.db2.gz FUJSCULFWPGYJN-UHFFFAOYSA-N 0 0 458.484 6.539 40 0 JKABRN Cc1cccc(COc2c(Cl)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2Cl)c1 ZINC000409237324 570180275 /nfs/dbraw/zinc/18/02/75/570180275.db2.gz VYUCEMKZFUEOHW-LPYMAVHISA-N 0 0 467.352 5.974 40 0 JKABRN FC(F)Oc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1 ZINC000328976650 570180312 /nfs/dbraw/zinc/18/03/12/570180312.db2.gz FPFVJINQMZOHKZ-UHFFFAOYSA-N 0 0 480.437 6.742 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cccc(Cl)c3Cl)nc(NC3CC3)n2)c1 ZINC000328979597 570180445 /nfs/dbraw/zinc/18/04/45/570180445.db2.gz GHGIMUGFRVHRHD-UHFFFAOYSA-N 0 0 455.267 5.511 40 0 JKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)c(Br)c1 ZINC000328980774 570180446 /nfs/dbraw/zinc/18/04/46/570180446.db2.gz GOWZSEJXMPRVGE-UHFFFAOYSA-N 0 0 478.316 5.262 40 0 JKABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c(OC)c1 ZINC000328984466 570180478 /nfs/dbraw/zinc/18/04/78/570180478.db2.gz HMRIBGYACLFEGV-UHFFFAOYSA-N 0 0 488.510 5.391 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000328981777 570180499 /nfs/dbraw/zinc/18/04/99/570180499.db2.gz GWGNGMWFTHPJSC-UHFFFAOYSA-N 0 0 484.444 7.323 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(Nc2c(F)cc(F)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328982896 570180511 /nfs/dbraw/zinc/18/05/11/570180511.db2.gz HDNDHSGKGDDWSS-SFHVURJKSA-N 0 0 486.416 5.632 40 0 JKABRN Fc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1Cl ZINC000328987022 570180596 /nfs/dbraw/zinc/18/05/96/570180596.db2.gz HZYDUCMTWFCAMN-UHFFFAOYSA-N 0 0 480.893 6.167 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409237957 570180601 /nfs/dbraw/zinc/18/06/01/570180601.db2.gz JNTJRQLQIOBJQX-YDZHTSKRSA-N 0 0 476.960 5.637 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409238142 570180656 /nfs/dbraw/zinc/18/06/56/570180656.db2.gz CHYYUAFKDGZNFD-ZVHZXABRSA-N 0 0 490.987 6.027 40 0 JKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000328986384 570180695 /nfs/dbraw/zinc/18/06/95/570180695.db2.gz HYCYUTOOZFTPKN-UHFFFAOYSA-N 0 0 468.401 5.531 40 0 JKABRN Cc1cc(C)cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c1 ZINC000328988234 570180700 /nfs/dbraw/zinc/18/07/00/570180700.db2.gz IFGLZDISPFWEDN-UHFFFAOYSA-N 0 0 456.512 5.991 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)C1=O ZINC000409238409 570180718 /nfs/dbraw/zinc/18/07/18/570180718.db2.gz ZPEYKUOHOBUXPV-VXLYETTFSA-N 0 0 496.810 6.136 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccc(Cl)cc3Cl)nc(NC3CCCC3)n2)c1 ZINC000328990891 570180787 /nfs/dbraw/zinc/18/07/87/570180787.db2.gz IPLPBZWULCJKBJ-UHFFFAOYSA-N 0 0 483.321 6.291 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328990345 570180822 /nfs/dbraw/zinc/18/08/22/570180822.db2.gz IOADKSJDBIERHW-CQSZACIVSA-N 0 0 450.892 5.802 40 0 JKABRN CC(C)(C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328990966 570180827 /nfs/dbraw/zinc/18/08/27/570180827.db2.gz IQVOVALGUAIYRX-UHFFFAOYSA-N 0 0 471.310 7.303 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000409238501 570180873 /nfs/dbraw/zinc/18/08/73/570180873.db2.gz KSHWXDFZZZWRGD-XDHOZWIPSA-N 0 0 465.930 5.140 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000328997861 570180964 /nfs/dbraw/zinc/18/09/64/570180964.db2.gz JPUDQNNDNLLUOM-UHFFFAOYSA-N 0 0 455.406 6.530 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328997324 570180969 /nfs/dbraw/zinc/18/09/69/570180969.db2.gz JOYVFPFOSYWXAB-CYBMUJFWSA-N 0 0 484.444 6.167 40 0 JKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)ccc1C(C)C ZINC000328993760 570180972 /nfs/dbraw/zinc/18/09/72/570180972.db2.gz JBDQOKTVYKMURT-UHFFFAOYSA-N 0 0 470.539 7.572 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1Cl ZINC000329001554 570181068 /nfs/dbraw/zinc/18/10/68/570181068.db2.gz KFALKXKFRFAELM-UHFFFAOYSA-N 0 0 476.930 6.336 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409239140 570181135 /nfs/dbraw/zinc/18/11/35/570181135.db2.gz GPWUDFRJGPVMHA-ZVHZXABRSA-N 0 0 490.987 6.027 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O ZINC000409239129 570181161 /nfs/dbraw/zinc/18/11/61/570181161.db2.gz CAUVYUPENLXKGD-CPNJWEJPSA-N 0 0 462.365 5.101 40 0 JKABRN Fc1cc(F)cc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c1 ZINC000329003426 570181212 /nfs/dbraw/zinc/18/12/12/570181212.db2.gz KMZLKBUIXJSXOJ-UHFFFAOYSA-N 0 0 464.438 5.131 40 0 JKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1Cl ZINC000409239505 570181225 /nfs/dbraw/zinc/18/12/25/570181225.db2.gz NJPHORXYLUDLRF-MDBUFAAASA-N 0 0 479.385 5.846 40 0 JKABRN CCOc1cc(Cl)c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000409239624 570181311 /nfs/dbraw/zinc/18/13/11/570181311.db2.gz ZSRCHMLIYYZWEW-GIJQJNRQSA-N 0 0 481.357 5.076 40 0 JKABRN CC[C@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008121 570181327 /nfs/dbraw/zinc/18/13/27/570181327.db2.gz LPQIPXLRIZVBOW-AWEZNQCLSA-N 0 0 450.892 5.362 40 0 JKABRN CC[C@@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329007578 570181344 /nfs/dbraw/zinc/18/13/44/570181344.db2.gz LLBZTRAODHIESK-CQSZACIVSA-N 0 0 495.343 5.471 40 0 JKABRN Fc1cc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)cc(F)c1Br ZINC000329008545 570181365 /nfs/dbraw/zinc/18/13/65/570181365.db2.gz LSWOPUIAVBQNFS-UHFFFAOYSA-N 0 0 464.619 6.600 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329006296 570181413 /nfs/dbraw/zinc/18/14/13/570181413.db2.gz LCLZBOLCSSDIRB-AWEZNQCLSA-N 0 0 484.444 6.167 40 0 JKABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000329006333 570181418 /nfs/dbraw/zinc/18/14/18/570181418.db2.gz LDIJAKVGBJBLAH-UHFFFAOYSA-N 0 0 451.412 5.855 40 0 JKABRN CNc1nc(Nc2c(C)cc(Br)cc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329012099 570181510 /nfs/dbraw/zinc/18/15/10/570181510.db2.gz MJJWSIFNRYYEQS-UHFFFAOYSA-N 0 0 467.289 5.051 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)C1=O ZINC000409240029 570181509 /nfs/dbraw/zinc/18/15/09/570181509.db2.gz NZPKDQSAFFZPEE-XDHOZWIPSA-N 0 0 476.392 5.791 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409240017 570181523 /nfs/dbraw/zinc/18/15/23/570181523.db2.gz JBEWMKMFBZLYFQ-WSDLNYQXSA-N 0 0 480.923 5.468 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329010919 570181522 /nfs/dbraw/zinc/18/15/22/570181522.db2.gz MDNFHBZCKGZCDQ-UHFFFAOYSA-N 0 0 470.417 7.015 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(I)cc2F)cc(-c2ccccc2)n1 ZINC000329011457 570181548 /nfs/dbraw/zinc/18/15/48/570181548.db2.gz METDCNLVXMVXJX-UHFFFAOYSA-N 0 0 462.310 5.841 40 0 JKABRN Cc1cc(C)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)c(C)c1 ZINC000329013953 570181608 /nfs/dbraw/zinc/18/16/08/570181608.db2.gz MSMDITDZARJFSS-NRFANRHFSA-N 0 0 474.527 6.140 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329013607 570181619 /nfs/dbraw/zinc/18/16/19/570181619.db2.gz MRIAMWGGLBPTGY-UHFFFAOYSA-N 0 0 454.855 6.789 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C1=O ZINC000409240273 570181591 /nfs/dbraw/zinc/18/15/91/570181591.db2.gz GEOBBZIAVRUGJH-FYJGNVAPSA-N 0 0 455.341 6.028 40 0 JKABRN CC(C)(C)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCCO)n2)cc1 ZINC000329012686 570181682 /nfs/dbraw/zinc/18/16/82/570181682.db2.gz MMDJSIOLJCHVCU-UHFFFAOYSA-N 0 0 460.500 5.878 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409240362 570181668 /nfs/dbraw/zinc/18/16/68/570181668.db2.gz GVJUMJKLQCXWDB-WSDLNYQXSA-N 0 0 497.378 5.982 40 0 JKABRN Fc1ccc(F)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c1F ZINC000329015892 570181734 /nfs/dbraw/zinc/18/17/34/570181734.db2.gz NDMOWEBNTXHTMA-UHFFFAOYSA-N 0 0 482.428 5.792 40 0 JKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C1=O ZINC000409241140 570182014 /nfs/dbraw/zinc/18/20/14/570182014.db2.gz IZWYNHGJLPIRER-LDADJPATSA-N 0 0 479.339 5.317 40 0 JKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)C)n1 ZINC000329017483 570181778 /nfs/dbraw/zinc/18/17/78/570181778.db2.gz NMSPPFNVWUXRNM-UHFFFAOYSA-N 0 0 486.416 6.813 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329017324 570181817 /nfs/dbraw/zinc/18/18/17/570181817.db2.gz NKPSWNOUWRDETL-MRXNPFEDSA-N 0 0 458.528 7.294 40 0 JKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)C)n1 ZINC000329015826 570181836 /nfs/dbraw/zinc/18/18/36/570181836.db2.gz NCGLGIJQURMTTP-UHFFFAOYSA-N 0 0 450.892 5.720 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000409240885 570181843 /nfs/dbraw/zinc/18/18/43/570181843.db2.gz QQYQMNCGZAEXLP-PCLIKHOPSA-N 0 0 456.567 5.916 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329018754 570181938 /nfs/dbraw/zinc/18/19/38/570181938.db2.gz NSAMLXWITGNPSW-LBPRGKRZSA-N 0 0 452.864 5.199 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000409241128 570181973 /nfs/dbraw/zinc/18/19/73/570181973.db2.gz IYLCSNMUTYVANW-CIAFOILYSA-N 0 0 475.397 6.069 40 0 JKABRN COc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000409241155 570182006 /nfs/dbraw/zinc/18/20/06/570182006.db2.gz RPWGGETVZBUWBC-NDENLUEZSA-N 0 0 452.919 5.177 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329021701 570182043 /nfs/dbraw/zinc/18/20/43/570182043.db2.gz OHKVRYIMLQXEQN-AWEZNQCLSA-N 0 0 450.892 5.802 40 0 JKABRN CC(C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329022662 570182072 /nfs/dbraw/zinc/18/20/72/570182072.db2.gz OOUZKWLAZYORNC-UHFFFAOYSA-N 0 0 454.399 6.208 40 0 JKABRN Cc1ccc(COc2ccc(Br)cc2/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000409241438 570182116 /nfs/dbraw/zinc/18/21/16/570182116.db2.gz NHVAPWSHIOCEBR-OEAKJJBVSA-N 0 0 491.385 5.738 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329031337 570182301 /nfs/dbraw/zinc/18/23/01/570182301.db2.gz QIQKRIFAOPUDHC-QMMMGPOBSA-N 0 0 457.216 5.075 40 0 JKABRN O=C1N/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000409241988 570182342 /nfs/dbraw/zinc/18/23/42/570182342.db2.gz ZQYNWHLQCHXJCW-YDZHTSKRSA-N 0 0 476.363 6.089 40 0 JKABRN COc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc(OC)c1 ZINC000329031221 570182379 /nfs/dbraw/zinc/18/23/79/570182379.db2.gz QHUZEAIXRLKCIL-UHFFFAOYSA-N 0 0 488.510 5.391 40 0 JKABRN Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2)cc1 ZINC000409242348 570182467 /nfs/dbraw/zinc/18/24/67/570182467.db2.gz RBCARWFCMIAGBK-UUYOSTAYSA-N 0 0 469.393 6.546 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccncc2)n1 ZINC000329034884 570182474 /nfs/dbraw/zinc/18/24/74/570182474.db2.gz RBXXRHQGSTZHLI-LBPRGKRZSA-N 0 0 466.305 5.118 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2c(F)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329033215 570182539 /nfs/dbraw/zinc/18/25/39/570182539.db2.gz QRLQWXAEWNXAJE-LBPRGKRZSA-N 0 0 454.855 5.633 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409242653 570182577 /nfs/dbraw/zinc/18/25/77/570182577.db2.gz SBEUDGDNBXBXEJ-GOSISDBHSA-N 0 0 456.995 5.259 40 0 JKABRN Fc1cccc(-c2nc(Cl)cc(Nc3ccc(OC(F)(F)F)c(Br)c3)n2)c1 ZINC000329035316 570182583 /nfs/dbraw/zinc/18/25/83/570182583.db2.gz RDIAHQOFFFQBPJ-UHFFFAOYSA-N 0 0 462.628 6.341 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000409242535 570182592 /nfs/dbraw/zinc/18/25/92/570182592.db2.gz OGPAMOOCEJOIEM-LDADJPATSA-N 0 0 462.365 5.483 40 0 JKABRN Fc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c(F)c1 ZINC000329036532 570182662 /nfs/dbraw/zinc/18/26/62/570182662.db2.gz RJUCJJVKYHNASL-UHFFFAOYSA-N 0 0 450.411 5.262 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(=O)OC)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329039166 570182682 /nfs/dbraw/zinc/18/26/82/570182682.db2.gz RWQVKTXHRUIVSH-AWEZNQCLSA-N 0 0 460.456 5.783 40 0 JKABRN Cc1ccc(COc2ccc(Br)cc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000409242944 570182711 /nfs/dbraw/zinc/18/27/11/570182711.db2.gz PVWDUGGWEPFUFQ-HYARGMPZSA-N 0 0 477.358 5.429 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1OC(C)C ZINC000409242949 570182733 /nfs/dbraw/zinc/18/27/33/570182733.db2.gz WYEFDRBCSYKGSF-VCHYOVAHSA-N 0 0 496.810 6.135 40 0 JKABRN Fc1cccc(F)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329040301 570182776 /nfs/dbraw/zinc/18/27/76/570182776.db2.gz SCPRFLPEZTWOKH-UHFFFAOYSA-N 0 0 464.438 5.652 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)cc1Cl ZINC000329041983 570182782 /nfs/dbraw/zinc/18/27/82/570182782.db2.gz SLZVGQZOPXCOGX-FQEVSTJZSA-N 0 0 480.918 6.176 40 0 JKABRN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000409243104 570182833 /nfs/dbraw/zinc/18/28/33/570182833.db2.gz VNOHKKJLZJWMMH-HXUWFJFHSA-N 0 0 466.603 5.086 40 0 JKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c(C(F)(F)F)c1 ZINC000329046989 570182895 /nfs/dbraw/zinc/18/28/95/570182895.db2.gz UDNBYBQPMDXKAU-UHFFFAOYSA-N 0 0 481.444 5.908 40 0 JKABRN FC(F)(F)Oc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1Cl ZINC000329044261 570182898 /nfs/dbraw/zinc/18/28/98/570182898.db2.gz SVVCMGFDDWDOAU-UHFFFAOYSA-N 0 0 463.891 5.423 40 0 JKABRN CCc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329046065 570182928 /nfs/dbraw/zinc/18/29/28/570182928.db2.gz TZMLDEAOXFWSOY-UHFFFAOYSA-N 0 0 470.539 6.245 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(NCCc3ccccc3)nc(NC3CCCCC3)n2)c1 ZINC000329043791 570182932 /nfs/dbraw/zinc/18/29/32/570182932.db2.gz SUYWWXMGODTWGU-UHFFFAOYSA-N 0 0 456.512 5.285 40 0 JKABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cc1OC ZINC000329049017 570183043 /nfs/dbraw/zinc/18/30/43/570183043.db2.gz ULSLKGJKILXVHF-UHFFFAOYSA-N 0 0 462.472 6.013 40 0 JKABRN O=C(COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1 ZINC000409243678 570183067 /nfs/dbraw/zinc/18/30/67/570183067.db2.gz ZLLMHAFNXJYKDJ-LPYMAVHISA-N 0 0 496.947 5.733 40 0 JKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c(Br)c1 ZINC000329054805 570183163 /nfs/dbraw/zinc/18/31/63/570183163.db2.gz VLQRAOCNIOMJOD-UHFFFAOYSA-N 0 0 492.343 5.652 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(F)c(F)c2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329054766 570183178 /nfs/dbraw/zinc/18/31/78/570183178.db2.gz VLFNISATTBMOMH-UHFFFAOYSA-N 0 0 456.390 6.414 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409244005 570183196 /nfs/dbraw/zinc/18/31/96/570183196.db2.gz WFZSGYJWBCJYAS-LPYMAVHISA-N 0 0 462.933 5.329 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409244024 570183219 /nfs/dbraw/zinc/18/32/19/570183219.db2.gz WMQBSLZCMWRLRF-DEDYPNTBSA-N 0 0 479.957 5.530 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)C1=O ZINC000409243935 570183244 /nfs/dbraw/zinc/18/32/44/570183244.db2.gz ZFSOHFFBSWYNOX-XDHOZWIPSA-N 0 0 466.386 6.417 40 0 JKABRN COC(=O)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1 ZINC000329057829 570183282 /nfs/dbraw/zinc/18/32/82/570183282.db2.gz WAKLPNHZFOBVLY-UHFFFAOYSA-N 0 0 486.494 6.317 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060290 570183290 /nfs/dbraw/zinc/18/32/90/570183290.db2.gz WKYFJRDPXIEFQW-IBGZPJMESA-N 0 0 484.881 6.007 40 0 JKABRN FC(F)(F)c1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c(C(F)(F)F)c1 ZINC000329061365 570183399 /nfs/dbraw/zinc/18/33/99/570183399.db2.gz WSMHVPBYSBOZOO-UHFFFAOYSA-N 0 0 481.444 5.908 40 0 JKABRN FC(F)(F)c1cc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)ccc1Br ZINC000329062846 570183451 /nfs/dbraw/zinc/18/34/51/570183451.db2.gz WZQCIUBKHZKMBR-UHFFFAOYSA-N 0 0 492.343 5.652 40 0 JKABRN CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C1=O ZINC000409244390 570183498 /nfs/dbraw/zinc/18/34/98/570183498.db2.gz BVQQITWPYMBSCE-CXUHLZMHSA-N 0 0 470.150 5.248 40 0 JKABRN Cc1ccc(C)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](CO)C(C)C)n2)c1 ZINC000329066290 570183524 /nfs/dbraw/zinc/18/35/24/570183524.db2.gz XZFFVRKESJEUKC-OAQYLSRUSA-N 0 0 460.500 5.831 40 0 JKABRN Cc1cc(Br)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](C)CO)n1 ZINC000329066057 570183578 /nfs/dbraw/zinc/18/35/78/570183578.db2.gz XWLSKVITPOCDLE-CYBMUJFWSA-N 0 0 497.315 5.649 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329065625 570183582 /nfs/dbraw/zinc/18/35/82/570183582.db2.gz XSROBTHVPUTBGV-GFCCVEGCSA-N 0 0 499.306 5.742 40 0 JKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1Cl ZINC000409244805 570183629 /nfs/dbraw/zinc/18/36/29/570183629.db2.gz IZTGHCHLWDTGDJ-MQMKENTISA-N 0 0 474.966 5.201 40 0 JKABRN C[C@H](CO)Nc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329068307 570183701 /nfs/dbraw/zinc/18/37/01/570183701.db2.gz YOWUMSCFUVWNOS-LLVKDONJSA-N 0 0 488.297 5.581 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C)cc1 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452.624 5.602 40 0 JKABRN CCCCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000409330406 570203939 /nfs/dbraw/zinc/20/39/39/570203939.db2.gz AEHHYTJECYBTGM-UHFFFAOYSA-N 0 0 478.658 5.784 40 0 JKABRN O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)N1c1ccccc1 ZINC000409330725 570204066 /nfs/dbraw/zinc/20/40/66/570204066.db2.gz LQKXDBVXKYMYTL-AREMUKBSSA-N 0 0 459.376 7.359 40 0 JKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1OCC ZINC000408568270 570204281 /nfs/dbraw/zinc/20/42/81/570204281.db2.gz SIGXHAZXPDMBGT-WUXMJOGZSA-N 0 0 451.304 5.131 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OC(C)C ZINC000409331198 570204329 /nfs/dbraw/zinc/20/43/29/570204329.db2.gz MPNNBCNLAKSBLJ-OEAKJJBVSA-N 0 0 482.602 5.671 40 0 JKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)cc1 ZINC000408569351 570204381 /nfs/dbraw/zinc/20/43/81/570204381.db2.gz VRUDMJSJKOTNAL-UHFFFAOYSA-N 0 0 472.009 7.424 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000408572080 570204905 /nfs/dbraw/zinc/20/49/05/570204905.db2.gz GQEJVLFJHSGDRN-NTCAYCPXSA-N 0 0 499.979 6.935 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000408572504 570204963 /nfs/dbraw/zinc/20/49/63/570204963.db2.gz ITASTFJOQPCEBP-NTCAYCPXSA-N 0 0 483.528 5.346 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2Cl)cc1C ZINC000408572961 570205040 /nfs/dbraw/zinc/20/50/40/570205040.db2.gz AVOCYRTXAZVXPO-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000408572830 570205051 /nfs/dbraw/zinc/20/50/51/570205051.db2.gz AABQWBYFZOGBSX-UHFFFAOYSA-N 0 0 495.366 5.472 40 0 JKABRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1-c1cc2ccccc2oc1=O ZINC000408573182 570205134 /nfs/dbraw/zinc/20/51/34/570205134.db2.gz MPIPGFMMAYRWEE-DTQAZKPQSA-N 0 0 463.489 6.381 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000408573688 570205256 /nfs/dbraw/zinc/20/52/56/570205256.db2.gz CBSVEZGAMRQYFN-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl ZINC000408573484 570205257 /nfs/dbraw/zinc/20/52/57/570205257.db2.gz BMHSZQBURZTPAT-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN CC1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)cc2Cl)CC1 ZINC000408573864 570205306 /nfs/dbraw/zinc/20/53/06/570205306.db2.gz PFJQPBVLTSKKBB-FMIVXFBMSA-N 0 0 480.033 6.363 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000408574338 570205401 /nfs/dbraw/zinc/20/54/01/570205401.db2.gz HDMBRRNYEGMYKO-MHZLTWQESA-N 0 0 488.609 5.670 40 0 JKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000408574464 570205411 /nfs/dbraw/zinc/20/54/11/570205411.db2.gz QYWGJGMDAGXVBY-DTQAZKPQSA-N 0 0 495.629 7.058 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000408574684 570205440 /nfs/dbraw/zinc/20/54/40/570205440.db2.gz CZSZQNYFHNLVED-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN CCOC(=O)c1c2c(sc1NC(=O)CSCc1ccccc1Br)CCC2 ZINC000408574662 570205445 /nfs/dbraw/zinc/20/54/45/570205445.db2.gz JUCYBSIBQCKKPJ-UHFFFAOYSA-N 0 0 454.411 5.048 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC ZINC000408574797 570205504 /nfs/dbraw/zinc/20/55/04/570205504.db2.gz LHVMTYHPCFYQAN-GHRIWEEISA-N 0 0 486.612 5.626 40 0 JKABRN O=C(c1ccc(CSc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408574936 570205563 /nfs/dbraw/zinc/20/55/63/570205563.db2.gz MURFAMZAKZQPDP-UHFFFAOYSA-N 0 0 456.533 5.960 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3)oc2c1 ZINC000408575307 570205652 /nfs/dbraw/zinc/20/56/52/570205652.db2.gz UDPBWUXGTYNVGM-DTQAZKPQSA-N 0 0 479.561 6.590 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3)sc2c1 ZINC000408575507 570205684 /nfs/dbraw/zinc/20/56/84/570205684.db2.gz VISAUYWZFAMVSJ-DTQAZKPQSA-N 0 0 495.629 7.058 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)ccc21 ZINC000408575519 570205699 /nfs/dbraw/zinc/20/56/99/570205699.db2.gz NUIBCMRKNKRADN-UHFFFAOYSA-N 0 0 471.025 8.012 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSCc2cccc(Cl)c2)cc1OC ZINC000408575742 570205720 /nfs/dbraw/zinc/20/57/20/570205720.db2.gz QDSCIJQPIHLWBA-UHFFFAOYSA-N 0 0 499.032 5.202 40 0 JKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408575783 570205779 /nfs/dbraw/zinc/20/57/79/570205779.db2.gz RASVRNJJHCXAOJ-UHFFFAOYSA-N 0 0 453.007 6.413 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408575756 570205793 /nfs/dbraw/zinc/20/57/93/570205793.db2.gz QJJQNYGTVWZJRP-UHFFFAOYSA-N 0 0 492.427 7.769 40 0 JKABRN C[C@@H](NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21)c1ccccc1 ZINC000408576228 570205822 /nfs/dbraw/zinc/20/58/22/570205822.db2.gz FWZUNJGKGQXUNQ-OAHLLOKOSA-N 0 0 495.366 5.148 40 0 JKABRN Cc1ccc(C)c(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(C)c3C)cc3cc(Cl)ccc32)c1 ZINC000408576272 570205845 /nfs/dbraw/zinc/20/58/45/570205845.db2.gz GDGLWKSZTFKXGW-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN C[C@H](NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21)c1ccccc1 ZINC000408576225 570205869 /nfs/dbraw/zinc/20/58/69/570205869.db2.gz FWZUNJGKGQXUNQ-HNNXBMFYSA-N 0 0 495.366 5.148 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000408576444 570205871 /nfs/dbraw/zinc/20/58/71/570205871.db2.gz YADFNSQBFNGMCA-NTCAYCPXSA-N 0 0 499.979 6.935 40 0 JKABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408576325 570205895 /nfs/dbraw/zinc/20/58/95/570205895.db2.gz XGSDNDPQFPNRKQ-UHFFFAOYSA-N 0 0 463.371 5.693 40 0 JKABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408576366 570205903 /nfs/dbraw/zinc/20/59/03/570205903.db2.gz GQHMUZBDLXTVJS-SFHVURJKSA-N 0 0 496.394 5.223 40 0 JKABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4ccc(Br)cc4)o3)nn12 ZINC000408576449 570205921 /nfs/dbraw/zinc/20/59/21/570205921.db2.gz YADMSSSDIQHDCQ-UHFFFAOYSA-N 0 0 480.347 5.436 40 0 JKABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408576448 570205928 /nfs/dbraw/zinc/20/59/28/570205928.db2.gz UWRZLMPOPAYXIY-MUUNZHRXSA-N 0 0 487.625 5.195 40 0 JKABRN O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408576625 570205952 /nfs/dbraw/zinc/20/59/52/570205952.db2.gz XPMKMGWJYVYFBT-HAVVHWLPSA-N 0 0 470.922 6.248 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1F ZINC000408577312 570206146 /nfs/dbraw/zinc/20/61/46/570206146.db2.gz YHPCPNKJUPYKRC-UHFFFAOYSA-N 0 0 472.847 5.551 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccc(Cl)cc2)cc1 ZINC000408576950 570206047 /nfs/dbraw/zinc/20/60/47/570206047.db2.gz HOGCHEJWFPOOBP-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)cc3)cc3cc(Cl)ccc32)cc1C ZINC000408577013 570206092 /nfs/dbraw/zinc/20/60/92/570206092.db2.gz IBCLUUVYCDKZLQ-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408577318 570206161 /nfs/dbraw/zinc/20/61/61/570206161.db2.gz YKMYKYYUVXWZQA-HAVVHWLPSA-N 0 0 472.371 7.404 40 0 JKABRN Cc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408577920 570206223 /nfs/dbraw/zinc/20/62/23/570206223.db2.gz JJZJKQOCPBBLBR-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cccc(C)c2C)cc1C ZINC000408577979 570206236 /nfs/dbraw/zinc/20/62/36/570206236.db2.gz JSVPCZMKSKCZQJ-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN Cc1cccc(NC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Cl)ccc32)c1C ZINC000408578058 570206237 /nfs/dbraw/zinc/20/62/37/570206237.db2.gz KDXSMAMBMOAXFE-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cc(C)ccc2C)c(C)c1 ZINC000408577961 570206250 /nfs/dbraw/zinc/20/62/50/570206250.db2.gz JQHCOTVAIIERTE-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN O=C(Nc1cccc(F)c1)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408578066 570206257 /nfs/dbraw/zinc/20/62/57/570206257.db2.gz KFDNFVLHJADNCK-UHFFFAOYSA-N 0 0 485.302 5.048 40 0 JKABRN CCc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Cl)ccc32)cc1 ZINC000408578284 570206302 /nfs/dbraw/zinc/20/63/02/570206302.db2.gz KQNZVAIEGDRAII-UHFFFAOYSA-N 0 0 488.975 5.435 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1cc(C(F)(F)F)ccc1Cl ZINC000408578346 570206308 /nfs/dbraw/zinc/20/63/08/570206308.db2.gz KWKSJCNBURKIAA-UHFFFAOYSA-N 0 0 475.703 5.070 40 0 JKABRN CCc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000408579505 570206472 /nfs/dbraw/zinc/20/64/72/570206472.db2.gz OCOKHUQQVNNKFH-UHFFFAOYSA-N 0 0 463.386 5.390 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408579327 570206476 /nfs/dbraw/zinc/20/64/76/570206476.db2.gz FRNWUXGWXPNROQ-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Cl)ccc21 ZINC000408579758 570206499 /nfs/dbraw/zinc/20/64/99/570206499.db2.gz OUKKYYRUNDHADK-UHFFFAOYSA-N 0 0 499.329 5.357 40 0 JKABRN Cc1cccc(C)c1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000408580013 570206501 /nfs/dbraw/zinc/20/65/01/570206501.db2.gz PNPOARRTRMIIJB-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000408579777 570206502 /nfs/dbraw/zinc/20/65/02/570206502.db2.gz OWYIJLJESUIVEF-UHFFFAOYSA-N 0 0 465.358 5.190 40 0 JKABRN Cc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408580034 570206535 /nfs/dbraw/zinc/20/65/35/570206535.db2.gz PQKGENUTLYXZRW-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN CCc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2C)cc2cc(Cl)ccc21 ZINC000408579697 570206539 /nfs/dbraw/zinc/20/65/39/570206539.db2.gz OKBDOCIYQGZYQJ-UHFFFAOYSA-N 0 0 488.975 5.435 40 0 JKABRN O=C(Nc1ccccc1F)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408580860 570206616 /nfs/dbraw/zinc/20/66/16/570206616.db2.gz RQUCFMQBZLGOEE-UHFFFAOYSA-N 0 0 485.302 5.048 40 0 JKABRN Cc1cccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)cc3)cc3cc(Cl)ccc32)c1 ZINC000408580532 570206624 /nfs/dbraw/zinc/20/66/24/570206624.db2.gz RERQPEUJBVDECT-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN O=C(CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1)Nc1nccs1 ZINC000408581209 570206679 /nfs/dbraw/zinc/20/66/79/570206679.db2.gz HQBHEBGDVWDUBO-UHFFFAOYSA-N 0 0 475.315 5.112 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2cc(Cl)ccc2C)cc1 ZINC000408581315 570206694 /nfs/dbraw/zinc/20/66/94/570206694.db2.gz SJFXVCMYIMEMLB-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2)cc2cc(Cl)ccc21 ZINC000408581688 570206761 /nfs/dbraw/zinc/20/67/61/570206761.db2.gz TZPCQHDQXJBUJR-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2)cc1Cl ZINC000408581414 570206797 /nfs/dbraw/zinc/20/67/97/570206797.db2.gz TVKOWBKQZQSUOC-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN Cc1ccccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)Nc1ccccc1Cl ZINC000408581900 570206819 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Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000408593149 570209701 /nfs/dbraw/zinc/20/97/01/570209701.db2.gz LRWSFXHKNZZDDB-FQEVSTJZSA-N 0 0 497.831 5.484 40 0 JKABRN CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)[C@@H]3c3ccoc3)[C@]12C ZINC000031168366 290682437 /nfs/dbraw/zinc/68/24/37/290682437.db2.gz KWAMDQVQFVBEAU-MNPDRJNNSA-N 0 0 450.575 5.418 40 0 biogenic,in-vitro JKABRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000019801986 290684529 /nfs/dbraw/zinc/68/45/29/290684529.db2.gz QEDZDAWIPDLZAN-HENFTZFKSA-N 0 0 460.699 6.333 40 0 biogenic,in-vitro JKABRN COC(=O)CC[C@H](C)[C@@H]1CC=C2C3=CC[C@@H]4C[C@H](OC(=O)OC)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000253537533 291543198 /nfs/dbraw/zinc/54/31/98/291543198.db2.gz MKXPYGLVNSLDFW-RSXZERSKSA-N 0 0 458.595 5.405 40 0 biogenic,in-vitro JKABRN 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COc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1Cl ZINC000020610855 195184235 /nfs/dbraw/zinc/18/42/35/195184235.db2.gz AYAPHNTWKMWNLJ-UHFFFAOYSA-N 0 0 450.926 5.370 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000020610924 195184245 /nfs/dbraw/zinc/18/42/45/195184245.db2.gz MKCRDEDLTNHKJK-LBPRGKRZSA-N 0 0 461.736 5.787 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1Cl ZINC000020610885 195184299 /nfs/dbraw/zinc/18/42/99/195184299.db2.gz CNPBFPLCSNJILV-GFCCVEGCSA-N 0 0 491.762 5.795 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000020611111 195184491 /nfs/dbraw/zinc/18/44/91/195184491.db2.gz DYCWQDBVIQQVJF-UHFFFAOYSA-N 0 0 471.344 6.642 40 0 JKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)c1 ZINC000020611090 195184496 /nfs/dbraw/zinc/18/44/96/195184496.db2.gz YJFBLROLGNTWGU-NRFANRHFSA-N 0 0 485.632 6.313 40 0 JKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1 ZINC000020611048 195184531 /nfs/dbraw/zinc/18/45/31/195184531.db2.gz FLPVIHGKNGEJSX-HXUWFJFHSA-N 0 0 471.605 6.005 40 0 JKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1 ZINC000020611050 195184622 /nfs/dbraw/zinc/18/46/22/195184622.db2.gz FLPVIHGKNGEJSX-FQEVSTJZSA-N 0 0 471.605 6.005 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000020611017 195184719 /nfs/dbraw/zinc/18/47/19/195184719.db2.gz SNQSUEPSVJYJRP-ZDUSSCGKSA-N 0 0 475.763 6.095 40 0 JKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)c1 ZINC000020611045 195184736 /nfs/dbraw/zinc/18/47/36/195184736.db2.gz PCGKKTYCSKFGSM-FQEVSTJZSA-N 0 0 471.605 6.005 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000020611168 195184875 /nfs/dbraw/zinc/18/48/75/195184875.db2.gz HOKRLWFKXUVMOB-ZDUSSCGKSA-N 0 0 459.308 5.581 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(I)cc4)cc3n2)cc1 ZINC000020611190 195184906 /nfs/dbraw/zinc/18/49/06/195184906.db2.gz JAYUPQRZGMWVRZ-UHFFFAOYSA-N 0 0 482.325 5.148 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(F)cc5)o4)cc3n2)cc1 ZINC000020611280 195184940 /nfs/dbraw/zinc/18/49/40/195184940.db2.gz IENOCTDQZQIVHR-WYMLVPIESA-N 0 0 468.488 5.789 40 0 JKABRN O=C(C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(CSc2nc[nH]n2)cc1 ZINC000020611348 195185183 /nfs/dbraw/zinc/18/51/83/195185183.db2.gz RHXQESJDTLATBV-JXMROGBWSA-N 0 0 471.369 6.316 40 0 JKABRN COc1c(Cl)cc(C(=O)Nc2cc(-c3nc4ncccc4o3)cc(Cl)c2OC)cc1Cl ZINC000020611402 195185227 /nfs/dbraw/zinc/18/52/27/195185227.db2.gz GCTAWRYLMSODPG-UHFFFAOYSA-N 0 0 478.719 6.120 40 0 JKABRN CCc1nc(SCc2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2)n[nH]1 ZINC000020611433 195185291 /nfs/dbraw/zinc/18/52/91/195185291.db2.gz WEMHTSSXYOUFPL-UHFFFAOYSA-N 0 0 483.391 5.934 40 0 JKABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020611391 195185339 /nfs/dbraw/zinc/18/53/39/195185339.db2.gz YCGYIRXYUXLUBK-UHFFFAOYSA-N 0 0 498.297 6.857 40 0 JKABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000020611619 195185686 /nfs/dbraw/zinc/18/56/86/195185686.db2.gz LOOAVKAYXQGHAG-UHFFFAOYSA-N 0 0 496.188 6.105 40 0 JKABRN Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(Br)cc5)nc4nc3C2)cc1 ZINC000020632478 195191205 /nfs/dbraw/zinc/19/12/05/195191205.db2.gz BBHDHLRMTPNEOV-KRWDZBQOSA-N 0 0 479.403 5.400 40 0 JKABRN O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 ZINC000020632608 195191413 /nfs/dbraw/zinc/19/14/13/195191413.db2.gz PMGQMEKFFGCOHI-OAHLLOKOSA-N 0 0 455.370 5.636 40 0 JKABRN COc1ccc(-c2c(C)nn3c2nnc(C(=O)Nc2ccc(Oc4ccccc4)cc2)c3C)cc1OC ZINC000020633552 195191497 /nfs/dbraw/zinc/19/14/97/195191497.db2.gz HVSTTYBSLBLOGV-UHFFFAOYSA-N 0 0 495.539 5.470 40 0 JKABRN CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1CSc1ccc(Cl)cc1 ZINC000020633645 195191529 /nfs/dbraw/zinc/19/15/29/195191529.db2.gz JDDNNXHSICBUCR-UHFFFAOYSA-N 0 0 456.930 5.361 40 0 JKABRN CCCOc1ccc([C@H]2C(C(=O)OCC)C(c3ccccc3)=Nc3nc4ccccc4n32)cc1OC ZINC000020633430 195191532 /nfs/dbraw/zinc/19/15/32/195191532.db2.gz ZLDCBCAHNUATDR-MHZLTWQESA-N 0 0 483.568 5.823 40 0 JKABRN O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000020632626 195191585 /nfs/dbraw/zinc/19/15/85/195191585.db2.gz OAGUHNWCTSPMDJ-OAHLLOKOSA-N 0 0 499.821 5.745 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(OCc3ccccc3)cc2)[C@H](C(=O)OCC)C1=O ZINC000020638365 195192076 /nfs/dbraw/zinc/19/20/76/195192076.db2.gz DSCVVGWBISTSNT-RRPNLBNLSA-N 0 0 497.595 5.531 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3cc(OC)ccc3OC)c2C)c1-c1cccc2ccccc21 ZINC000020672826 195199035 /nfs/dbraw/zinc/19/90/35/195199035.db2.gz UATADNZLLCNGHC-UHFFFAOYSA-N 0 0 467.529 5.085 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1ccc(Br)cc1 ZINC000020672875 195199046 /nfs/dbraw/zinc/19/90/46/195199046.db2.gz CLLCOWYKMLSXOU-UHFFFAOYSA-N 0 0 464.367 5.294 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1ccc(Br)cc1 ZINC000020672835 195199057 /nfs/dbraw/zinc/19/90/57/195199057.db2.gz DYUMAZONVKDSKU-UHFFFAOYSA-N 0 0 470.758 5.330 40 0 JKABRN CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(Br)cc3)c(CC)nn2c1C ZINC000020672887 195199136 /nfs/dbraw/zinc/19/91/36/195199136.db2.gz AWHQCSIICMVSHG-UHFFFAOYSA-N 0 0 480.366 5.076 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675973 195200384 /nfs/dbraw/zinc/20/03/84/195200384.db2.gz QIAQYGNSCABLBV-NHCUHLMSSA-N 0 0 474.388 5.649 40 0 JKABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc6ccccc65)nc4nc3C2)cc1 ZINC000020671577 195198434 /nfs/dbraw/zinc/19/84/34/195198434.db2.gz FLYYIJJVYPTEQP-FQEVSTJZSA-N 0 0 466.566 5.491 40 0 JKABRN CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)cc1 ZINC000020671805 195198749 /nfs/dbraw/zinc/19/87/49/195198749.db2.gz PYCWZKFDIUWCJO-IBGZPJMESA-N 0 0 463.006 6.106 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000020672281 195198753 /nfs/dbraw/zinc/19/87/53/195198753.db2.gz ALRDPAKEZOWOJI-MHZLTWQESA-N 0 0 483.568 5.823 40 0 JKABRN CCCCOc1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672336 195198756 /nfs/dbraw/zinc/19/87/56/195198756.db2.gz JEMOQEQUPKMFFU-VWLOTQADSA-N 0 0 463.578 5.854 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3cc(Cl)ccc3OC)c2C)c1-c1ccc(Cl)cc1 ZINC000020672681 195198775 /nfs/dbraw/zinc/19/87/75/195198775.db2.gz JCZAYIMKUKIFFD-UHFFFAOYSA-N 0 0 456.333 5.230 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000020802835 195227758 /nfs/dbraw/zinc/22/77/58/195227758.db2.gz YJDYXFPSBKSKSB-SXOMAYOGSA-N 0 0 497.595 5.990 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1Br ZINC000020759837 195217276 /nfs/dbraw/zinc/21/72/76/195217276.db2.gz UYYKAZSBFXVPRI-UHFFFAOYSA-N 0 0 473.179 5.845 40 0 JKABRN O=C(CSc1nc2cc(Br)ccc2[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020765292 195220754 /nfs/dbraw/zinc/22/07/54/195220754.db2.gz PQJQNWSZLLZXSF-UHFFFAOYSA-N 0 0 464.694 5.728 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Br)cc4)ccc32)cc1 ZINC000020766050 195221364 /nfs/dbraw/zinc/22/13/64/195221364.db2.gz VUGSACUDABEGSN-UHFFFAOYSA-N 0 0 485.403 5.151 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000020766395 195221589 /nfs/dbraw/zinc/22/15/89/195221589.db2.gz QZJAWOZJGPDJCT-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000020766221 195221659 /nfs/dbraw/zinc/22/16/59/195221659.db2.gz HNSLTPLZRUPTQR-UHFFFAOYSA-N 0 0 462.615 5.731 40 0 JKABRN O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21 ZINC000020766311 195221739 /nfs/dbraw/zinc/22/17/39/195221739.db2.gz RCQLQDKOUVHURM-UHFFFAOYSA-N 0 0 459.011 5.102 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1Cl ZINC000020766517 195222173 /nfs/dbraw/zinc/22/21/73/195222173.db2.gz ZMUBKISQMSBKCF-UHFFFAOYSA-N 0 0 491.396 5.396 40 0 JKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767192 195222544 /nfs/dbraw/zinc/22/25/44/195222544.db2.gz JMTNMIFKWCQVIL-UHFFFAOYSA-N 0 0 475.397 5.696 40 0 JKABRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc21 ZINC000020767202 195222566 /nfs/dbraw/zinc/22/25/66/195222566.db2.gz XBDSFGVEFNJDHN-UHFFFAOYSA-N 0 0 495.815 6.041 40 0 JKABRN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767361 195222748 /nfs/dbraw/zinc/22/27/48/195222748.db2.gz QDSUJPMLRWTREI-IBGZPJMESA-N 0 0 483.033 5.233 40 0 JKABRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000020767211 195222859 /nfs/dbraw/zinc/22/28/59/195222859.db2.gz JHDKZULHJMQMFL-UHFFFAOYSA-N 0 0 494.922 5.753 40 0 JKABRN O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000020796345 195225871 /nfs/dbraw/zinc/22/58/71/195225871.db2.gz LWOPDJDHRPCOTD-HNNXBMFYSA-N 0 0 499.821 5.745 40 0 JKABRN O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 ZINC000020796338 195225888 /nfs/dbraw/zinc/22/58/88/195225888.db2.gz CWPCDLKTHPLPQJ-OAHLLOKOSA-N 0 0 455.370 5.636 40 0 JKABRN Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(Br)cc5)nc4nc3C2)c1 ZINC000020796104 195225890 /nfs/dbraw/zinc/22/58/90/195225890.db2.gz PGDIWFFWFVPEDN-KRWDZBQOSA-N 0 0 479.403 5.400 40 0 JKABRN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000020797538 195225968 /nfs/dbraw/zinc/22/59/68/195225968.db2.gz XDYJTJRCENDWNV-DEOSSOPVSA-N 0 0 474.948 5.635 40 0 JKABRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(Br)c2)cc1 ZINC000020797349 195225989 /nfs/dbraw/zinc/22/59/89/195225989.db2.gz LQCHPARGPBJHDT-HSZRJFAPSA-N 0 0 473.374 6.035 40 0 JKABRN COc1cc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000020797555 195226031 /nfs/dbraw/zinc/22/60/31/195226031.db2.gz TZFSYINDJHGTKU-HSZRJFAPSA-N 0 0 460.921 5.332 40 0 JKABRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1OC ZINC000020797548 195226065 /nfs/dbraw/zinc/22/60/65/195226065.db2.gz XKJJGQGRVINBAY-XMMPIXPASA-N 0 0 474.948 5.635 40 0 JKABRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000020798632 195226330 /nfs/dbraw/zinc/22/63/30/195226330.db2.gz BNVIBWFMMAIGME-KRWDZBQOSA-N 0 0 461.345 5.131 40 0 JKABRN CCOC(=O)c1nnc2c(-c3cccc4ccccc43)c(CC)nn2c1CSc1ccc(C)cc1 ZINC000020797730 195226368 /nfs/dbraw/zinc/22/63/68/195226368.db2.gz KTJLXERSRYPPNE-UHFFFAOYSA-N 0 0 482.609 6.284 40 0 JKABRN CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(CC)nn2c1CSc1ccc(C)cc1 ZINC000020797713 195226401 /nfs/dbraw/zinc/22/64/01/195226401.db2.gz GIJXWMCCXYMYKV-UHFFFAOYSA-N 0 0 466.994 5.785 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020970021 195257351 /nfs/dbraw/zinc/25/73/51/195257351.db2.gz FWUFWIYIJNVVLQ-HHHXNRCGSA-N 0 0 450.586 6.650 40 0 JKABRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 ZINC000020969954 195257358 /nfs/dbraw/zinc/25/73/58/195257358.db2.gz CXFJBYTUFOYTFQ-QFIPXVFZSA-N 0 0 477.337 5.866 40 0 JKABRN CCOc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000020969990 195257441 /nfs/dbraw/zinc/25/74/41/195257441.db2.gz HHJGYHBUJCREBI-XMMPIXPASA-N 0 0 458.493 5.207 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020970164 195257496 /nfs/dbraw/zinc/25/74/96/195257496.db2.gz ABBIMNHIOFQIGZ-XMMPIXPASA-N 0 0 477.395 6.833 40 0 JKABRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970254 195257574 /nfs/dbraw/zinc/25/75/74/195257574.db2.gz QOARUNKGEXSOQK-RUZDIDTESA-N 0 0 454.530 5.371 40 0 JKABRN CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000020970322 195257579 /nfs/dbraw/zinc/25/75/79/195257579.db2.gz JHOGIWHFPFVGRD-VWLOTQADSA-N 0 0 470.529 5.077 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000020970210 195257605 /nfs/dbraw/zinc/25/76/05/195257605.db2.gz DXXFLGRLYKVDBX-AREMUKBSSA-N 0 0 468.557 5.544 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(OC)c2OC)cc1 ZINC000020970206 195257614 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489.062 5.903 40 0 JKABRN CCSc1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000020482367 521775476 /nfs/dbraw/zinc/77/54/76/521775476.db2.gz RXDDKFDPFAFGCP-UHFFFAOYSA-N 0 0 494.560 5.651 40 0 JKABRN CCSc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000044850479 521776126 /nfs/dbraw/zinc/77/61/26/521776126.db2.gz BWFVGOPBZJTFAV-UHFFFAOYSA-N 0 0 461.008 5.286 40 0 JKABRN CCSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000020485573 521777378 /nfs/dbraw/zinc/77/73/78/521777378.db2.gz XIKVLDTYRHHOHH-UHFFFAOYSA-N 0 0 472.657 5.598 40 0 JKABRN CCSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000044885362 521777654 /nfs/dbraw/zinc/77/76/54/521777654.db2.gz ZHNKYZLQNVPXOF-UHFFFAOYSA-N 0 0 453.029 5.269 40 0 JKABRN CCSc1ccccc1NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000022525238 521777812 /nfs/dbraw/zinc/77/78/12/521777812.db2.gz CTPGRTCVGVIYMZ-UHFFFAOYSA-N 0 0 454.617 5.326 40 0 JKABRN CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000022526681 521777968 /nfs/dbraw/zinc/77/79/68/521777968.db2.gz HKXVPXVGOJFZJW-UHFFFAOYSA-N 0 0 454.617 5.777 40 0 JKABRN COC(=O)c1cc(-c2c(C)oc3c(C)c(OCc4ccc(Cl)cc4)ccc3c2=O)c(C)o1 ZINC000026571648 521795528 /nfs/dbraw/zinc/79/55/28/521795528.db2.gz UYOLHKHIUXFVLJ-UHFFFAOYSA-N 0 0 452.890 5.997 40 0 JKABRN CCc1ccccc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020456739 521847204 /nfs/dbraw/zinc/84/72/04/521847204.db2.gz CZDHVZYLWDUKOU-UHFFFAOYSA-N 0 0 471.022 5.065 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000020495207 521850320 /nfs/dbraw/zinc/85/03/20/521850320.db2.gz FNQICAQLMFTYDX-PMERELPUSA-N 0 0 498.648 5.659 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@H](CC)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022430671 521850807 /nfs/dbraw/zinc/85/08/07/521850807.db2.gz QBXMRAIURVKATM-XMMPIXPASA-N 0 0 450.604 5.020 40 0 JKABRN CC[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000038772757 521857814 /nfs/dbraw/zinc/85/78/14/521857814.db2.gz 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CC[C@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000020459400 522380270 /nfs/dbraw/zinc/38/02/70/522380270.db2.gz ROCASZRBDTZMQE-VWLOTQADSA-N 0 0 480.630 5.083 40 0 JKABRN CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020462405 522382480 /nfs/dbraw/zinc/38/24/80/522382480.db2.gz PMSLXHHPJPHSEK-QFIPXVFZSA-N 0 0 487.021 5.120 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000022430151 522383555 /nfs/dbraw/zinc/38/35/55/522383555.db2.gz HQMLPEVEASZESU-DEOSSOPVSA-N 0 0 450.604 5.075 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000022431994 522383645 /nfs/dbraw/zinc/38/36/45/522383645.db2.gz TYSYRBSSKAWWCV-QHCPKHFHSA-N 0 0 487.021 5.120 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000022430867 522384962 /nfs/dbraw/zinc/38/49/62/522384962.db2.gz FLPKWIZOEGETEV-QHCPKHFHSA-N 0 0 456.995 5.111 40 0 JKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccc(C)cc1 ZINC000022518845 522531270 /nfs/dbraw/zinc/53/12/70/522531270.db2.gz YMUIHBZDTOPZLC-QHCPKHFHSA-N 0 0 450.604 5.602 40 0 JKABRN CC[C@H](NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000020495118 522531631 /nfs/dbraw/zinc/53/16/31/522531631.db2.gz AULQLMZTQKHGAK-DEOSSOPVSA-N 0 0 471.022 5.496 40 0 JKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1)c1ccc(OC)cc1 ZINC000020493631 522532423 /nfs/dbraw/zinc/53/24/23/522532423.db2.gz UDWAYVZZSODJSH-QHCPKHFHSA-N 0 0 466.603 5.302 40 0 JKABRN CC[C@H](NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000020459756 522533924 /nfs/dbraw/zinc/53/39/24/522533924.db2.gz YQDGACANBCGOCQ-DEOSSOPVSA-N 0 0 471.022 5.496 40 0 JKABRN CC[C@H](NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1)c1ccccc1 ZINC000020460061 522534269 /nfs/dbraw/zinc/53/42/69/522534269.db2.gz KCPNGBJVTNBVTI-DEOSSOPVSA-N 0 0 468.644 5.505 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000022430440 522680090 /nfs/dbraw/zinc/68/00/90/522680090.db2.gz RXMRBCXHMQTLEN-RUZDIDTESA-N 0 0 464.631 5.383 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000022431460 522680133 /nfs/dbraw/zinc/68/01/33/522680133.db2.gz BSAKLROBPPDBJZ-HSZRJFAPSA-N 0 0 491.440 5.765 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020452773 522682356 /nfs/dbraw/zinc/68/23/56/522682356.db2.gz SXNIMAVBKDZTMF-HSZRJFAPSA-N 0 0 487.021 5.120 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000022430745 522682670 /nfs/dbraw/zinc/68/26/70/522682670.db2.gz RTYSNNXTUNIJBZ-HHHXNRCGSA-N 0 0 478.658 5.890 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000044901100 522682763 /nfs/dbraw/zinc/68/27/63/522682763.db2.gz YLMQGNWUIQMKQX-XMMPIXPASA-N 0 0 471.022 5.420 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020462353 522683572 /nfs/dbraw/zinc/68/35/72/522683572.db2.gz PLGOIGDCDOAECK-RUZDIDTESA-N 0 0 450.604 5.075 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000022430804 522684503 /nfs/dbraw/zinc/68/45/03/522684503.db2.gz JUXZCXBLIYQYKK-JOCHJYFZSA-N 0 0 456.995 5.111 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020451868 522684899 /nfs/dbraw/zinc/68/48/99/522684899.db2.gz NCDWKKNEEOTPFP-HSZRJFAPSA-N 0 0 490.547 5.477 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000020455572 522685761 /nfs/dbraw/zinc/68/57/61/522685761.db2.gz SOUVAPOBDWUELE-HSZRJFAPSA-N 0 0 487.021 5.120 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000022430810 522685902 /nfs/dbraw/zinc/68/59/02/522685902.db2.gz JEBSJLJSDIKQCZ-HSZRJFAPSA-N 0 0 471.022 5.420 40 0 JKABRN CCc1nn2c(ncc3c(=O)n(CCc4c[nH]c5ccc(F)cc45)ccc32)c1-c1ccc(F)cc1 ZINC000040396806 522712155 /nfs/dbraw/zinc/71/21/55/522712155.db2.gz VYHRFOVAMFDOST-UHFFFAOYSA-N 0 0 469.495 5.276 40 0 JKABRN CCc1nn2c(ncc3c(=O)n(CCc4c[nH]c5ccccc45)ccc32)c1-c1ccc(F)cc1 ZINC000040396802 522712446 /nfs/dbraw/zinc/71/24/46/522712446.db2.gz YVLMULXBNNEQQD-UHFFFAOYSA-N 0 0 451.505 5.137 40 0 JKABRN CCc1nn2c(nnc3c2ccn(Cc2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395892 522713428 /nfs/dbraw/zinc/71/34/28/522713428.db2.gz UJHITVOZTPYGIH-UHFFFAOYSA-N 0 0 450.329 5.024 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000020459149 522782918 /nfs/dbraw/zinc/78/29/18/522782918.db2.gz HLMPQXKSALMOEZ-AREMUKBSSA-N 0 0 480.630 5.159 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1)c1ccc(OC)cc1 ZINC000020493630 522783542 /nfs/dbraw/zinc/78/35/42/522783542.db2.gz UDWAYVZZSODJSH-HSZRJFAPSA-N 0 0 466.603 5.302 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000020459755 522784616 /nfs/dbraw/zinc/78/46/16/522784616.db2.gz YQDGACANBCGOCQ-XMMPIXPASA-N 0 0 471.022 5.496 40 0 JKABRN CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(OC)cc1 ZINC000044901792 522787353 /nfs/dbraw/zinc/78/73/53/522787353.db2.gz DXRGVKZVONAPAN-SQHAQQRYSA-N 0 0 460.599 5.351 40 0 JKABRN CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccc(C)cc1 ZINC000044883889 522790320 /nfs/dbraw/zinc/79/03/20/522790320.db2.gz WXEYPPYXNJRFPL-SHQCIBLASA-N 0 0 479.045 6.304 40 0 JKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000022511270 522872874 /nfs/dbraw/zinc/87/28/74/522872874.db2.gz ZAKHNXJEROQTHH-DEOSSOPVSA-N 0 0 452.576 5.209 40 0 JKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000022526521 522874035 /nfs/dbraw/zinc/87/40/35/522874035.db2.gz VWBIDMNCJJHOHR-NRFANRHFSA-N 0 0 462.930 5.076 40 0 JKABRN 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ZINC000020450900 525601301 /nfs/dbraw/zinc/60/13/01/525601301.db2.gz UAYKFIAFBCSOAK-GOSISDBHSA-N 0 0 456.995 5.557 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 ZINC000044840297 525601563 /nfs/dbraw/zinc/60/15/63/525601563.db2.gz JVLNYKZAWLUTJG-GOSISDBHSA-N 0 0 485.049 6.238 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCc3ccc(C(C)C)cc3)c2)cc1 ZINC000022509223 525602119 /nfs/dbraw/zinc/60/21/19/525602119.db2.gz MLZJJJHILZUTKM-UHFFFAOYSA-N 0 0 471.022 5.545 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2Cl)cc1 ZINC000020494768 525603770 /nfs/dbraw/zinc/60/37/70/525603770.db2.gz KSEYBXWQQLKALJ-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn21 ZINC000040385065 525658148 /nfs/dbraw/zinc/65/81/48/525658148.db2.gz DQJLJPYQSDLSIM-UHFFFAOYSA-N 0 0 497.986 6.921 40 0 JKABRN Cc1ccc(SCc2nn(CC(=O)Nc3c(C)cccc3C)c(=S)n2-c2ccccc2)cc1 ZINC000016769387 525664297 /nfs/dbraw/zinc/66/42/97/525664297.db2.gz NYTRBIKEXZPQBO-UHFFFAOYSA-N 0 0 474.655 6.260 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(I)cc1 ZINC000026124323 525687690 /nfs/dbraw/zinc/68/76/90/525687690.db2.gz PVHKVHCQWLWKHJ-UHFFFAOYSA-N 0 0 488.716 5.239 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000022704037 525688395 /nfs/dbraw/zinc/68/83/95/525688395.db2.gz UHSIAZNEGWHGSV-UHFFFAOYSA-N 0 0 468.385 5.830 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431446 525693363 /nfs/dbraw/zinc/69/33/63/525693363.db2.gz IGYXLTSUMGOPGB-GOSISDBHSA-N 0 0 491.440 5.683 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022429298 525694298 /nfs/dbraw/zinc/69/42/98/525694298.db2.gz WDCOWBTWTUNKBF-LJQANCHMSA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000022429977 525694854 /nfs/dbraw/zinc/69/48/54/525694854.db2.gz WZERYRFYSDVMTO-QGZVFWFLSA-N 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ZINC000020457613 525912525 /nfs/dbraw/zinc/91/25/25/525912525.db2.gz KKRCMJJYWPFDOA-DEOSSOPVSA-N 0 0 498.648 6.190 40 0 JKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)cc1Cl ZINC000022534593 525932252 /nfs/dbraw/zinc/93/22/52/525932252.db2.gz VHDHKUCEUDAENR-UHFFFAOYSA-N 0 0 452.770 5.330 40 0 JKABRN C[C@H](C(=O)N(C)Cc1ccccc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466511 525938029 /nfs/dbraw/zinc/93/80/29/525938029.db2.gz RTXAFYVWLFPEQA-GEXFGRPISA-N 0 0 482.709 5.170 40 0 biogenic,in-vitro JKABRN C[C@H](C(=O)N(C)Cc1ccccc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466339 525938211 /nfs/dbraw/zinc/93/82/11/525938211.db2.gz ALNWDPVRJSWMPE-RISCTEKQSA-N 0 0 470.698 5.025 40 0 biogenic,in-vitro JKABRN C[C@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466342 525939189 /nfs/dbraw/zinc/93/91/89/525939189.db2.gz ALNWDPVRJSWMPE-MIRCEZDESA-N 0 0 470.698 5.025 40 0 biogenic,in-vitro JKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020458100 525940632 /nfs/dbraw/zinc/94/06/32/525940632.db2.gz QHEMRSSOXSHQPG-FQEVSTJZSA-N 0 0 466.581 6.796 40 0 JKABRN CSc1ccc(-c2c(-c3ccccc3)s/c(=N\c3ccccc3)n2-c2ccccc2)cc1 ZINC000016711844 525946623 /nfs/dbraw/zinc/94/66/23/525946623.db2.gz OCSYKLYVBCVJTM-ZIADKAODSA-N 0 0 450.632 7.827 40 0 JKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000020494180 525948032 /nfs/dbraw/zinc/94/80/32/525948032.db2.gz GFXYWMFPYCBJQW-ZDUSSCGKSA-N 0 0 499.803 5.854 40 0 JKABRN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c2ccccc2)cc1 ZINC000020490070 525964065 /nfs/dbraw/zinc/96/40/65/525964065.db2.gz POQCCCJDYMKZSX-AREMUKBSSA-N 0 0 497.060 5.096 40 0 JKABRN Cc1ccc([C@H](NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000044842881 525964425 /nfs/dbraw/zinc/96/44/25/525964425.db2.gz QFHBLJPYEXXTGX-HHHXNRCGSA-N 0 0 464.631 5.064 40 0 JKABRN Cc1ccc([C@H](NC(=O)COc2ccc3ccccc3c2Br)c2ccccc2)cc1 ZINC000044884451 525966662 /nfs/dbraw/zinc/96/66/62/525966662.db2.gz BKJYZUILWDDGLW-AREMUKBSSA-N 0 0 460.371 6.195 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c2ccccc2)cc1 ZINC000022526334 525967246 /nfs/dbraw/zinc/96/72/46/525967246.db2.gz UVFNYBVFWZJGQF-AREMUKBSSA-N 0 0 497.060 5.733 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc2)cc1 ZINC000044846309 525967456 /nfs/dbraw/zinc/96/74/56/525967456.db2.gz YEKRFQFLCPAYPF-HHHXNRCGSA-N 0 0 458.026 7.460 40 0 JKABRN C[C@H](C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000038756163 526153190 /nfs/dbraw/zinc/15/31/90/526153190.db2.gz DQMAXNFGUFTFKS-LJQANCHMSA-N 0 0 478.614 5.008 40 0 JKABRN Cc1cc(Br)c(NC(=O)C(=S)Nc2cccc(C)c2C)c(Br)c1 ZINC000020417879 526153322 /nfs/dbraw/zinc/15/33/22/526153322.db2.gz ASEMWLWNRTVVRQ-UHFFFAOYSA-N 0 0 456.203 5.515 40 0 JKABRN COc1cccc(NC(=O)Cn2nc(CSc3ccc(C)cc3)n(-c3cccc(C)c3)c2=S)c1 ZINC000016769508 526184487 /nfs/dbraw/zinc/18/44/87/526184487.db2.gz UMHRKBKQKDOOLP-UHFFFAOYSA-N 0 0 490.654 5.960 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1C ZINC000022739000 526215439 /nfs/dbraw/zinc/21/54/39/526215439.db2.gz CDDXGJBUKZXZHZ-UHFFFAOYSA-N 0 0 481.961 5.601 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)cc3C)nc2c1 ZINC000022569195 526215510 /nfs/dbraw/zinc/21/55/10/526215510.db2.gz BTBYJIBZMNKARQ-UHFFFAOYSA-N 0 0 461.543 5.256 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl ZINC000022739008 526216159 /nfs/dbraw/zinc/21/61/59/526216159.db2.gz SFJPUDSGOGEHCO-UHFFFAOYSA-N 0 0 481.961 5.601 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000022579763 526216364 /nfs/dbraw/zinc/21/63/64/526216364.db2.gz TZUMJYORGWMDRT-UHFFFAOYSA-N 0 0 467.934 5.292 40 0 JKABRN O=C(NCCCc1ccc(Cl)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020486352 526271755 /nfs/dbraw/zinc/27/17/55/526271755.db2.gz DTUMPIUMKPGYMI-UHFFFAOYSA-N 0 0 463.386 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O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020451942 527170943 /nfs/dbraw/zinc/17/09/43/527170943.db2.gz IHVOSJNGFYELDS-UHFFFAOYSA-N 0 0 471.647 7.402 40 0 JKABRN O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000022708996 527171996 /nfs/dbraw/zinc/17/19/96/527171996.db2.gz JQPGROXXHCVQEW-UHFFFAOYSA-N 0 0 473.184 6.749 40 0 JKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020491895 527173419 /nfs/dbraw/zinc/17/34/19/527173419.db2.gz DSUPIULEAMWFRE-UHFFFAOYSA-N 0 0 489.302 6.065 40 0 JKABRN Cc1nc2sc3c(c2c(SCC(=O)Nc2sc(-c4ccccc4)cc2C(N)=O)n1)CCC3 ZINC000016756546 527208879 /nfs/dbraw/zinc/20/88/79/527208879.db2.gz AWNSRRXKXXWLJA-UHFFFAOYSA-N 0 0 480.640 5.047 40 0 JKABRN O=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000020461101 527218918 /nfs/dbraw/zinc/21/89/18/527218918.db2.gz MXVYYCAMQNRLKZ-UHFFFAOYSA-N 0 0 468.427 5.997 40 0 JKABRN O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000020456027 527248563 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OCEBCIHJMQAHIV-XCVCLJGOSA-N 0 0 469.328 5.396 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 ZINC000001312050 553941558 /nfs/dbraw/zinc/94/15/58/553941558.db2.gz CQMJVNTWYOANAK-BJMVGYQFSA-N 0 0 453.329 5.696 40 0 JKABRN CCOc1cc(NC(=O)c2ccc(Br)cc2)c(OCC)cc1NC(=O)Nc1ccccc1 ZINC000001324579 553941881 /nfs/dbraw/zinc/94/18/81/553941881.db2.gz NVJWORQRYTTXOQ-UHFFFAOYSA-N 0 0 498.377 6.143 40 0 JKABRN CCOc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C(C)(C)C)CC4 ZINC000001326998 553942153 /nfs/dbraw/zinc/94/21/53/553942153.db2.gz MPTAPGMUTXPPMB-OAHLLOKOSA-N 0 0 495.674 5.620 40 0 JKABRN COc1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@H](C(C)(C)C)CC5)cc1 ZINC000001326995 553942226 /nfs/dbraw/zinc/94/22/26/553942226.db2.gz WNJZOXKVPWQRAC-CQSZACIVSA-N 0 0 481.647 5.229 40 0 JKABRN CCC(=O)Nc1ccc(NC(=O)CSc2nc(C)nc3sc4c(c32)CC[C@H](C)C4)cc1C ZINC000001326302 553942250 /nfs/dbraw/zinc/94/22/50/553942250.db2.gz KOKCECGBZIJIFK-ZDUSSCGKSA-N 0 0 468.648 5.512 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)Nc3ccc(F)cc3)cc12 ZINC000001327058 553942412 /nfs/dbraw/zinc/94/24/12/553942412.db2.gz JBHWEHWFQAFZAD-UHFFFAOYSA-N 0 0 463.940 6.172 40 0 JKABRN COc1ccccc1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000001327053 553942448 /nfs/dbraw/zinc/94/24/48/553942448.db2.gz IEFZGVDBIPZTHJ-UHFFFAOYSA-N 0 0 471.557 5.396 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(CCc3ccc(OC)c(OC)c3)C(=O)Nc3ccccc3)cc2c1 ZINC000001327244 553942790 /nfs/dbraw/zinc/94/27/90/553942790.db2.gz ZEHAWRQVNBCQMR-UHFFFAOYSA-N 0 0 485.584 5.385 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)Nc3ccccc3F)cc2c1 ZINC000001327240 553942811 /nfs/dbraw/zinc/94/28/11/553942811.db2.gz NFMXAYHWZZBQBB-UHFFFAOYSA-N 0 0 473.504 5.193 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001327262 553942831 /nfs/dbraw/zinc/94/28/31/553942831.db2.gz MZICPCBGIBCXOF-UHFFFAOYSA-N 0 0 475.976 5.987 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000001327234 553942839 /nfs/dbraw/zinc/94/28/39/553942839.db2.gz NAAYRPLVSHEZHQ-UHFFFAOYSA-N 0 0 473.504 5.193 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000001327385 553942850 /nfs/dbraw/zinc/94/28/50/553942850.db2.gz OBYYUJFBMRTXQN-UHFFFAOYSA-N 0 0 475.976 5.775 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000001327263 553942862 /nfs/dbraw/zinc/94/28/62/553942862.db2.gz UOXPMTHTCUVABQ-UHFFFAOYSA-N 0 0 459.521 5.473 40 0 JKABRN COc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000001327550 553943073 /nfs/dbraw/zinc/94/30/73/553943073.db2.gz UXLRPTVQVGSHIC-UHFFFAOYSA-N 0 0 461.949 5.467 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000001327404 553943103 /nfs/dbraw/zinc/94/31/03/553943103.db2.gz YOQOVOBIMJIAEW-UHFFFAOYSA-N 0 0 465.912 5.564 40 0 JKABRN COc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000001327557 553943141 /nfs/dbraw/zinc/94/31/41/553943141.db2.gz FNEPVXAKIHHILG-UHFFFAOYSA-N 0 0 465.912 5.564 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001327451 553943175 /nfs/dbraw/zinc/94/31/75/553943175.db2.gz GMJAOCLFFOXWEY-UHFFFAOYSA-N 0 0 491.931 5.153 40 0 JKABRN COc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)Nc3ccccc3OC)c(=O)[nH]c2c1 ZINC000001327620 553943405 /nfs/dbraw/zinc/94/34/05/553943405.db2.gz AEEAJDCVIMNHAD-UHFFFAOYSA-N 0 0 477.948 5.433 40 0 JKABRN FC(F)(F)c1cccc(N2CCN([C@H](c3cccs3)c3nnnn3C3CCCCC3)CC2)c1 ZINC000001328091 553943670 /nfs/dbraw/zinc/94/36/70/553943670.db2.gz GMCNUXXIBFZRQM-OAQYLSRUSA-N 0 0 476.572 5.170 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001327713 553943687 /nfs/dbraw/zinc/94/36/87/553943687.db2.gz FEHLFBCDTNWFKS-UHFFFAOYSA-N 0 0 490.003 6.165 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001327694 553943690 /nfs/dbraw/zinc/94/36/90/553943690.db2.gz LUALKMRABGZAHW-UHFFFAOYSA-N 0 0 475.976 5.857 40 0 JKABRN COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000001328193 553943702 /nfs/dbraw/zinc/94/37/02/553943702.db2.gz IFQOEMCGVFDSAN-HHHXNRCGSA-N 0 0 469.564 5.056 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000001327704 553943720 /nfs/dbraw/zinc/94/37/20/553943720.db2.gz QBSJRCKAXQGOGR-UHFFFAOYSA-N 0 0 473.548 5.651 40 0 JKABRN COc1cccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2cccc(C)c2C)c1 ZINC000001329454 553944021 /nfs/dbraw/zinc/94/40/21/553944021.db2.gz OKAGRLLROZFUTR-UHFFFAOYSA-N 0 0 491.592 5.375 40 0 JKABRN COc1cccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccccc2Cl)c1 ZINC000001329419 553944051 /nfs/dbraw/zinc/94/40/51/553944051.db2.gz WVNIGRLVFGYANN-UHFFFAOYSA-N 0 0 480.977 5.239 40 0 JKABRN COc1ccc(C2=NCC(=O)N(CC(=O)c3cccc(Cl)c3)c3sc4c(c32)CCCC4)cc1 ZINC000001329328 553944054 /nfs/dbraw/zinc/94/40/54/553944054.db2.gz XBAIGTDKCREXIR-UHFFFAOYSA-N 0 0 479.001 5.356 40 0 JKABRN O=C(CN1c2sc3c(c2C(c2cccs2)=NCC1=O)CCCC3)c1cccc(Cl)c1 ZINC000001329330 553944066 /nfs/dbraw/zinc/94/40/66/553944066.db2.gz AGNYVGSHLUEEFF-UHFFFAOYSA-N 0 0 455.004 5.409 40 0 JKABRN COc1ccc(-c2ccc(Cn3c(C)nc4ccc(NC(=O)C(C)(C)C)cc4c3=O)cc2)cc1 ZINC000001331491 553944244 /nfs/dbraw/zinc/94/42/44/553944244.db2.gz OXGCQSDKAHDHOQ-UHFFFAOYSA-N 0 0 455.558 5.413 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000001329654 553944278 /nfs/dbraw/zinc/94/42/78/553944278.db2.gz RNUFYVAWYPFSID-MHZLTWQESA-N 0 0 486.641 5.386 40 0 JKABRN COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC000001329778 553944281 /nfs/dbraw/zinc/94/42/81/553944281.db2.gz JZWUMZZAEDJXCZ-QGZVFWFLSA-N 0 0 472.614 6.045 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccs1 ZINC000001331582 553944656 /nfs/dbraw/zinc/94/46/56/553944656.db2.gz HZIARBOQRGRHKO-MUUNZHRXSA-N 0 0 468.622 5.686 40 0 JKABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(C(=O)Cc1cccs1)c1ccc(F)cc1 ZINC000001331560 553944604 /nfs/dbraw/zinc/94/46/04/553944604.db2.gz NMEQIPCXKSUXAU-AREMUKBSSA-N 0 0 476.548 5.660 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)c1 ZINC000001331576 553944637 /nfs/dbraw/zinc/94/46/37/553944637.db2.gz DVGVVWMLHSNISD-GDLZYMKVSA-N 0 0 498.648 5.694 40 0 JKABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1 ZINC000001331643 553944837 /nfs/dbraw/zinc/94/48/37/553944837.db2.gz DMUYSOAICWCNFU-HHHXNRCGSA-N 0 0 472.585 5.829 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)c1 ZINC000001331603 553944845 /nfs/dbraw/zinc/94/48/45/553944845.db2.gz PZPLCIGHWJIDMT-MUUNZHRXSA-N 0 0 484.621 5.699 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NCc1ccccc1)c1ccc(C)cc1 ZINC000001331616 553944862 /nfs/dbraw/zinc/94/48/62/553944862.db2.gz UGADOLXJKFGMBD-LJAQVGFWSA-N 0 0 498.648 5.694 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000001331628 553944866 /nfs/dbraw/zinc/94/48/66/553944866.db2.gz WOCUBUDCCVEALA-GDLZYMKVSA-N 0 0 498.648 5.694 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)c1 ZINC000001331620 553944871 /nfs/dbraw/zinc/94/48/71/553944871.db2.gz BJAOYAQQUZTBRJ-LJAQVGFWSA-N 0 0 498.648 5.694 40 0 JKABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cc2cccs2)c2ccccc2)cc1 ZINC000001331712 553945212 /nfs/dbraw/zinc/94/52/12/553945212.db2.gz OZPURQJMTKRUSR-MHZLTWQESA-N 0 0 470.594 5.390 40 0 JKABRN O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1 ZINC000001331731 553945214 /nfs/dbraw/zinc/94/52/14/553945214.db2.gz HZTRHEOQNSGWED-HHHXNRCGSA-N 0 0 490.575 5.655 40 0 JKABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)cc1 ZINC000001331707 553945224 /nfs/dbraw/zinc/94/52/24/553945224.db2.gz FBFWEGSLHHSDAH-MUUNZHRXSA-N 0 0 484.621 5.699 40 0 JKABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000001331696 553945228 /nfs/dbraw/zinc/94/52/28/553945228.db2.gz FCRBSJLCMAOLSJ-MHZLTWQESA-N 0 0 488.584 5.529 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)c1 ZINC000001331660 553945239 /nfs/dbraw/zinc/94/52/39/553945239.db2.gz CSZOUOKRWVGGAB-MUUNZHRXSA-N 0 0 484.621 5.699 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cc2cccs2)c2ccccc2)cc1 ZINC000001331715 553945242 /nfs/dbraw/zinc/94/52/42/553945242.db2.gz QZKGGBQOQUFILG-NDEPHWFRSA-N 0 0 484.621 5.780 40 0 JKABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1 ZINC000001331703 553945245 /nfs/dbraw/zinc/94/52/45/553945245.db2.gz NJDLVNQWJLAKMG-HHHXNRCGSA-N 0 0 488.584 5.529 40 0 JKABRN O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)Cc1cccs1 ZINC000001331739 553945576 /nfs/dbraw/zinc/94/55/76/553945576.db2.gz FAMABXSRXQWGTA-HHHXNRCGSA-N 0 0 472.585 5.516 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000001331790 553945624 /nfs/dbraw/zinc/94/56/24/553945624.db2.gz ZLRHOJJTUYLLQS-NDEPHWFRSA-N 0 0 484.621 5.386 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000001331792 553945636 /nfs/dbraw/zinc/94/56/36/553945636.db2.gz ZLRHOJJTUYLLQS-MUUNZHRXSA-N 0 0 484.621 5.386 40 0 JKABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000001331830 553945828 /nfs/dbraw/zinc/94/58/28/553945828.db2.gz VCXLFWFRTHANNW-HHHXNRCGSA-N 0 0 498.604 5.168 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000001331844 553945848 /nfs/dbraw/zinc/94/58/48/553945848.db2.gz OFFIXQCKHHQAQU-NDEPHWFRSA-N 0 0 482.605 5.584 40 0 JKABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1 ZINC000001331800 553945866 /nfs/dbraw/zinc/94/58/66/553945866.db2.gz WRTOCDCUIMAQMS-HHHXNRCGSA-N 0 0 472.585 5.516 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000001331858 553945895 /nfs/dbraw/zinc/94/58/95/553945895.db2.gz MVWYTRWSRAJPKE-NDEPHWFRSA-N 0 0 484.621 5.780 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1cnccn1)c1cc(C)cc(C)c1 ZINC000001331969 553946185 /nfs/dbraw/zinc/94/61/85/553946185.db2.gz MIPUZHQOPRGBMP-MHZLTWQESA-N 0 0 498.558 5.658 40 0 JKABRN Cc1cc(C)cc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000001332071 553946613 /nfs/dbraw/zinc/94/66/13/553946613.db2.gz GBOHVDUGQBACAE-RUZDIDTESA-N 0 0 472.495 5.398 40 0 JKABRN Cc1ccccc1[C@H](C(=O)Nc1ccc(F)cc1)N(Cc1cccs1)C(=O)c1cnccn1 ZINC000001332090 553946618 /nfs/dbraw/zinc/94/66/18/553946618.db2.gz LTYQAFACJJZGFG-HSZRJFAPSA-N 0 0 460.534 5.008 40 0 JKABRN CCOc1cccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000001332054 553946632 /nfs/dbraw/zinc/94/66/32/553946632.db2.gz LDCJSRWBLHRUFO-RUZDIDTESA-N 0 0 488.494 5.180 40 0 JKABRN Cc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000001332003 553946636 /nfs/dbraw/zinc/94/66/36/553946636.db2.gz MYWSKZLRSUCLKZ-VWLOTQADSA-N 0 0 472.495 5.086 40 0 JKABRN Cc1cccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000001332080 553946659 /nfs/dbraw/zinc/94/66/59/553946659.db2.gz JKTJFKXZCLJTBT-XMMPIXPASA-N 0 0 458.468 5.090 40 0 JKABRN CCOc1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1 ZINC000001332149 553946904 /nfs/dbraw/zinc/94/69/04/553946904.db2.gz MWEMYOJFCCSYRM-SANMLTNESA-N 0 0 484.531 5.350 40 0 JKABRN Cc1cccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2F)c1 ZINC000001332209 553946956 /nfs/dbraw/zinc/94/69/56/553946956.db2.gz XAHAATUFMRSYQX-DEOSSOPVSA-N 0 0 458.468 5.090 40 0 JKABRN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000001332891 553947260 /nfs/dbraw/zinc/94/72/60/553947260.db2.gz WBQHTPALGLGSGJ-HNNXBMFYSA-N 0 0 470.579 6.528 40 0 JKABRN O=C(CSc1nc(C2CC2)nc2sc3c(c21)CCCC3)Nc1ccccc1N1CCOCC1 ZINC000001332815 553947270 /nfs/dbraw/zinc/94/72/70/553947270.db2.gz KWBZRXNDEKPELJ-UHFFFAOYSA-N 0 0 480.659 5.015 40 0 JKABRN CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)c4ccc(Cl)cc4)o3)cs2)cc1 ZINC000001332930 553947313 /nfs/dbraw/zinc/94/73/13/553947313.db2.gz DLZPPXXKQXQOPX-UHFFFAOYSA-N 0 0 487.006 5.888 40 0 JKABRN CCc1ccc([C@@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2cccc(F)c2)cc1 ZINC000001333075 553947612 /nfs/dbraw/zinc/94/76/12/553947612.db2.gz XRFDCYVCJLJRNT-VWLOTQADSA-N 0 0 472.495 5.344 40 0 JKABRN COc1cccc([C@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccc(C)c(C)c2)c1 ZINC000001333047 553947626 /nfs/dbraw/zinc/94/76/26/553947626.db2.gz VBAPQIFHCARDSD-AREMUKBSSA-N 0 0 484.531 5.268 40 0 JKABRN CCOc1cccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccc(CC)cc2)c1 ZINC000001333082 553947889 /nfs/dbraw/zinc/94/78/89/553947889.db2.gz NFAUZKRGCDFSLU-MHZLTWQESA-N 0 0 498.558 5.604 40 0 JKABRN Cc1ccc([C@@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccc(C)cc2)cc1 ZINC000001333135 553947916 /nfs/dbraw/zinc/94/79/16/553947916.db2.gz YHCKOTWPKHUDGD-VWLOTQADSA-N 0 0 454.505 5.259 40 0 JKABRN CCOc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C(=O)c2cnccn2)cc1 ZINC000001333165 553947924 /nfs/dbraw/zinc/94/79/24/553947924.db2.gz YVDPEWGGMYNPAT-AREMUKBSSA-N 0 0 484.531 5.037 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2cccs2)cc1 ZINC000001333482 553948215 /nfs/dbraw/zinc/94/82/15/553948215.db2.gz GAOFESGOOKWEGQ-QHCPKHFHSA-N 0 0 452.576 5.182 40 0 JKABRN Cc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1C ZINC000001333223 553948227 /nfs/dbraw/zinc/94/82/27/553948227.db2.gz JMDOOLJUUGJKLF-RUZDIDTESA-N 0 0 454.505 5.259 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1cccs1 ZINC000001333473 553948253 /nfs/dbraw/zinc/94/82/53/553948253.db2.gz RZJUMWJQSLRLOZ-QFIPXVFZSA-N 0 0 456.608 5.781 40 0 JKABRN CCOc1ccc([C@@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2cccc(C)c2)cc1 ZINC000001333176 553948255 /nfs/dbraw/zinc/94/82/55/553948255.db2.gz MWUAFEWANRWHMF-SANMLTNESA-N 0 0 484.531 5.350 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cccs2)c2ccc3c(c2)OCO3)cc1 ZINC000001333515 553948374 /nfs/dbraw/zinc/94/83/74/553948374.db2.gz GTKIGJFZHHYAEU-VWLOTQADSA-N 0 0 476.598 5.622 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000001333514 553948456 /nfs/dbraw/zinc/94/84/56/553948456.db2.gz LEGUQMGYNDPKRE-RUZDIDTESA-N 0 0 494.588 5.495 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000001333508 553948469 /nfs/dbraw/zinc/94/84/69/553948469.db2.gz IFUDVNIYJMUNGV-DEOSSOPVSA-N 0 0 480.561 5.453 40 0 aggregator JKABRN COc1ccccc1CN(C(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000001333561 553948876 /nfs/dbraw/zinc/94/88/76/553948876.db2.gz WZEIWXGTFXKKNW-RUZDIDTESA-N 0 0 462.615 5.589 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cc(C)cc(C)c2)o1 ZINC000001333637 553948883 /nfs/dbraw/zinc/94/88/83/553948883.db2.gz JHIJXQFWHKWNNO-VWLOTQADSA-N 0 0 450.604 5.642 40 0 JKABRN Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000001333742 553949096 /nfs/dbraw/zinc/94/90/96/553949096.db2.gz ZVCDPKCOTTXTFR-DEOSSOPVSA-N 0 0 452.645 5.802 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2C)o1 ZINC000001333655 553949131 /nfs/dbraw/zinc/94/91/31/553949131.db2.gz WUNGCBCWJLWJPG-VWLOTQADSA-N 0 0 450.604 5.642 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc2c(c1)CCC2)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001333722 553949163 /nfs/dbraw/zinc/94/91/63/553949163.db2.gz YZCUMDBRIMRTOO-RUZDIDTESA-N 0 0 464.656 5.674 40 0 JKABRN Cc1cc(C)cc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000001333731 553949166 /nfs/dbraw/zinc/94/91/66/553949166.db2.gz HPKTYYHFCBTUIW-DEOSSOPVSA-N 0 0 452.645 5.802 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1Cl)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001333701 553949178 /nfs/dbraw/zinc/94/91/78/553949178.db2.gz RLBKWEKVVLJGBM-QFIPXVFZSA-N 0 0 459.036 5.839 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1 ZINC000001333745 553949534 /nfs/dbraw/zinc/94/95/34/553949534.db2.gz NYGMHIPOSCEPQP-DEOSSOPVSA-N 0 0 452.645 5.802 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000001333773 553949560 /nfs/dbraw/zinc/94/95/60/553949560.db2.gz KIXMSIJZLKVJKE-HSZRJFAPSA-N 0 0 453.995 5.172 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc2c(c1)OCCO2)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000001333807 553949584 /nfs/dbraw/zinc/94/95/84/553949584.db2.gz MDLODJPGYUXICW-SANMLTNESA-N 0 0 494.588 5.034 40 0 JKABRN O=C(Cc1cccs1)N(Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000001333797 553949619 /nfs/dbraw/zinc/94/96/19/553949619.db2.gz JNEAFYWUEGBPNV-QHCPKHFHSA-N 0 0 456.608 5.320 40 0 JKABRN O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000001335320 553949851 /nfs/dbraw/zinc/94/98/51/553949851.db2.gz BOGCNNNWUXETNG-UHFFFAOYSA-N 0 0 457.599 5.693 40 0 JKABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000001335281 553949859 /nfs/dbraw/zinc/94/98/59/553949859.db2.gz KEIQOAOWULYDFD-UHFFFAOYSA-N 0 0 488.609 5.047 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccc(OC)cc3)cc2c1 ZINC000001335610 553949883 /nfs/dbraw/zinc/94/98/83/553949883.db2.gz LYDMHLKZBAPQEN-UHFFFAOYSA-N 0 0 475.520 5.309 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)NCc3ccccc3)cc2c1 ZINC000001335611 553949963 /nfs/dbraw/zinc/94/99/63/553949963.db2.gz DIONTAHVSVQNJU-UHFFFAOYSA-N 0 0 475.976 5.492 40 0 JKABRN COc1cc2cc(CN(CCc3ccccc3C)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1OC ZINC000001335746 553950307 /nfs/dbraw/zinc/95/03/07/553950307.db2.gz PFEUNGSCNBEUBP-UHFFFAOYSA-N 0 0 471.557 5.131 40 0 JKABRN COc1cc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)c(=O)[nH]c2cc1OC ZINC000001335668 553950366 /nfs/dbraw/zinc/95/03/66/553950366.db2.gz LGTOOGIJGYJINS-UHFFFAOYSA-N 0 0 455.942 5.175 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335902 553950571 /nfs/dbraw/zinc/95/05/71/553950571.db2.gz AACBWDHPJCHDFJ-UHFFFAOYSA-N 0 0 475.932 5.187 40 0 JKABRN O=C(Nc1cccc(Cl)c1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335937 553950580 /nfs/dbraw/zinc/95/05/80/553950580.db2.gz XVDDHBGOGJXUDZ-UHFFFAOYSA-N 0 0 493.922 5.326 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1C ZINC000001336132 553950946 /nfs/dbraw/zinc/95/09/46/553950946.db2.gz AELAJJMZOZGKDY-AREMUKBSSA-N 0 0 461.631 5.526 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000001336056 553950953 /nfs/dbraw/zinc/95/09/53/553950953.db2.gz PWHLNIPENMMUPI-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000001336072 553950955 /nfs/dbraw/zinc/95/09/55/553950955.db2.gz FPHOZMZJULXWIG-VWLOTQADSA-N 0 0 450.604 5.411 40 0 JKABRN O=C(Cc1cccs1)N(Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000001336066 553950959 /nfs/dbraw/zinc/95/09/59/553950959.db2.gz LFEOJBXNWYKFNZ-DEOSSOPVSA-N 0 0 470.635 5.710 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1Cl)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000001336160 553950963 /nfs/dbraw/zinc/95/09/63/553950963.db2.gz HQEMIMNRFGFTLY-RUZDIDTESA-N 0 0 482.049 5.558 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000001336150 553950974 /nfs/dbraw/zinc/95/09/74/553950974.db2.gz CRUURGJSOJOHGF-XMMPIXPASA-N 0 0 451.567 5.048 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000001336144 553950975 /nfs/dbraw/zinc/95/09/75/553950975.db2.gz UCHHYFFQDULMNE-XMMPIXPASA-N 0 0 451.567 5.048 40 0 JKABRN CCc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000001336172 553951260 /nfs/dbraw/zinc/95/12/60/553951260.db2.gz AIVHPDPSXCPANT-AREMUKBSSA-N 0 0 461.631 5.471 40 0 JKABRN CCc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000001336171 553951278 /nfs/dbraw/zinc/95/12/78/553951278.db2.gz AIVHPDPSXCPANT-SANMLTNESA-N 0 0 461.631 5.471 40 0 JKABRN O=C(N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000001337095 553951532 /nfs/dbraw/zinc/95/15/32/553951532.db2.gz QKUFXBLUVYACRE-UHFFFAOYSA-N 0 0 488.613 6.494 40 0 JKABRN Fc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2ccco2)Cc2ccccc2Cl)cc1 ZINC000001338322 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555413191 /nfs/dbraw/zinc/41/31/91/555413191.db2.gz VJTXETMCXQAQHG-QFIPXVFZSA-N 0 0 456.608 5.781 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000013497385 555413469 /nfs/dbraw/zinc/41/34/69/555413469.db2.gz SMNDADRFPPTJCM-AREMUKBSSA-N 0 0 492.641 5.598 40 0 JKABRN COc1cccc(CN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)c1 ZINC000013497399 555413484 /nfs/dbraw/zinc/41/34/84/555413484.db2.gz DFXWRRZRUFVHCI-AREMUKBSSA-N 0 0 492.641 5.598 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2cccs2)c1 ZINC000013497408 555413509 /nfs/dbraw/zinc/41/35/09/555413509.db2.gz QLEBGBOMJBNDDH-RUZDIDTESA-N 0 0 480.605 5.728 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000013497449 555413665 /nfs/dbraw/zinc/41/36/65/555413665.db2.gz KQFLROMOVOZZHP-RUZDIDTESA-N 0 0 462.615 5.589 40 0 JKABRN COc1cccc(CN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)c1 ZINC000013497434 555413669 /nfs/dbraw/zinc/41/36/69/555413669.db2.gz 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CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497667 555414210 /nfs/dbraw/zinc/41/42/10/555414210.db2.gz OCZASDWJOGTTMT-XMMPIXPASA-N 0 0 481.643 5.144 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497652 555414239 /nfs/dbraw/zinc/41/42/39/555414239.db2.gz ZPBQJJMLEMDRCE-DEOSSOPVSA-N 0 0 468.644 5.190 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497670 555414287 /nfs/dbraw/zinc/41/42/87/555414287.db2.gz XTUFAEYONNMQMI-DEOSSOPVSA-N 0 0 466.628 5.388 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000013497679 555414626 /nfs/dbraw/zinc/41/46/26/555414626.db2.gz AIEYYBIYQNTNQN-XMMPIXPASA-N 0 0 484.643 5.203 40 0 JKABRN CCc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497690 555414670 /nfs/dbraw/zinc/41/46/70/555414670.db2.gz AWZVUCZTJJGIEW-DEOSSOPVSA-N 0 0 452.645 5.748 40 0 JKABRN COc1ccc(Cl)cc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497683 555414692 /nfs/dbraw/zinc/41/46/92/555414692.db2.gz QXDJEZXPLPPOMO-HSZRJFAPSA-N 0 0 489.062 5.847 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000013497720 555414832 /nfs/dbraw/zinc/41/48/32/555414832.db2.gz XBZQVNFRQHRAPU-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497709 555414860 /nfs/dbraw/zinc/41/48/60/555414860.db2.gz OBYOSISANJQAIF-XMMPIXPASA-N 0 0 470.997 5.916 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497739 555415066 /nfs/dbraw/zinc/41/50/66/555415066.db2.gz WXZMAFNCVVPPAR-XMMPIXPASA-N 0 0 470.997 5.916 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2Cl)c1 ZINC000013497743 555415097 /nfs/dbraw/zinc/41/50/97/555415097.db2.gz MRRSXLVRVLNGSI-AREMUKBSSA-N 0 0 495.044 5.980 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497751 555415142 /nfs/dbraw/zinc/41/51/42/555415142.db2.gz AXLZCOLOPVLKOU-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2Cl)c1 ZINC000013497749 555415176 /nfs/dbraw/zinc/41/51/76/555415176.db2.gz SOQUJUBTNBHXOR-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2Cl)c1 ZINC000013497744 555415189 /nfs/dbraw/zinc/41/51/89/555415189.db2.gz MRRSXLVRVLNGSI-SANMLTNESA-N 0 0 495.044 5.980 40 0 JKABRN CC[C@@H](C)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000013497789 555415314 /nfs/dbraw/zinc/41/53/14/555415314.db2.gz UTMWPQORALAGSW-NFQMXDRXSA-N 0 0 475.658 6.032 40 0 JKABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c1 ZINC000013497828 555415318 /nfs/dbraw/zinc/41/53/18/555415318.db2.gz ACWUQKJKEWLIJJ-SANMLTNESA-N 0 0 478.614 5.141 40 0 JKABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)c1 ZINC000013497820 555415431 /nfs/dbraw/zinc/41/54/31/555415431.db2.gz YXFKZYXQXPCCGQ-VWLOTQADSA-N 0 0 498.670 5.198 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)c1OC ZINC000013497842 555415623 /nfs/dbraw/zinc/41/56/23/555415623.db2.gz OTFWAIMHGQPBGG-SANMLTNESA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c(OC)c1 ZINC000013497863 555415649 /nfs/dbraw/zinc/41/56/49/555415649.db2.gz WQDZPFJJZGTVPT-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)c1OC ZINC000013497838 555415689 /nfs/dbraw/zinc/41/56/89/555415689.db2.gz KCVDWGAVGBBKQQ-VWLOTQADSA-N 0 0 496.604 5.280 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)c(OC)c1 ZINC000013497859 555415724 /nfs/dbraw/zinc/41/57/24/555415724.db2.gz XJOPHIGGWCJFKN-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1F ZINC000013497881 555415927 /nfs/dbraw/zinc/41/59/27/555415927.db2.gz BAQNLQBWPQQGAA-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000013497879 555415932 /nfs/dbraw/zinc/41/59/32/555415932.db2.gz XPNAEFBSUVSKFF-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 ZINC000013497878 555415957 /nfs/dbraw/zinc/41/59/57/555415957.db2.gz PHVJAVSKCPOGDE-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 ZINC000013497869 555415967 /nfs/dbraw/zinc/41/59/67/555415967.db2.gz XERSOPXIHKWHDC-RUZDIDTESA-N 0 0 466.603 5.111 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)cc1OC ZINC000013497916 555416263 /nfs/dbraw/zinc/41/62/63/555416263.db2.gz MROZTZNOYMHWPL-SANMLTNESA-N 0 0 478.614 5.141 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)cc1OC ZINC000013497910 555416301 /nfs/dbraw/zinc/41/63/01/555416301.db2.gz YGLWCCIXHZBCIS-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C(C)=O)cc2)c1 ZINC000013497954 555416622 /nfs/dbraw/zinc/41/66/22/555416622.db2.gz BWOIJKKURJNSAN-MHZLTWQESA-N 0 0 490.625 5.335 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)c1 ZINC000013497951 555416625 /nfs/dbraw/zinc/41/66/25/555416625.db2.gz FEAOONMFIGPOCB-AREMUKBSSA-N 0 0 462.615 5.128 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2Cl)c1 ZINC000013497959 555416648 /nfs/dbraw/zinc/41/66/48/555416648.db2.gz DAXUHSBJBRLDCP-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2Cl)cc1 ZINC000013498027 555417204 /nfs/dbraw/zinc/41/72/04/555417204.db2.gz RIQXODFHCXADJC-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)Cc2cccs2)cc1 ZINC000013498015 555417214 /nfs/dbraw/zinc/41/72/14/555417214.db2.gz WBOYTSFWEKRURL-HHHXNRCGSA-N 0 0 492.641 5.137 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)Cc2cccs2)cc1 ZINC000013498007 555417240 /nfs/dbraw/zinc/41/72/40/555417240.db2.gz RDCCRMBETKNZKT-HHHXNRCGSA-N 0 0 480.674 5.818 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000013498045 555417516 /nfs/dbraw/zinc/41/75/16/555417516.db2.gz XIPBRIDYDYUWMO-HHHXNRCGSA-N 0 0 492.641 5.531 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(Cl)cc2)cc1 ZINC000013498032 555417531 /nfs/dbraw/zinc/41/75/31/555417531.db2.gz TYWYNBHHNBJBCQ-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C(C)=O)cc2)cc1 ZINC000013498034 555417553 /nfs/dbraw/zinc/41/75/53/555417553.db2.gz AUJNUHNKLFTVIQ-MHZLTWQESA-N 0 0 490.625 5.335 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498076 555417766 /nfs/dbraw/zinc/41/77/66/555417766.db2.gz VLWNRMPZLFVNRE-SANMLTNESA-N 0 0 480.605 5.267 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498089 555417768 /nfs/dbraw/zinc/41/77/68/555417768.db2.gz WFQFOFYWMOVLCC-AREMUKBSSA-N 0 0 493.604 5.221 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498078 555417780 /nfs/dbraw/zinc/41/77/80/555417780.db2.gz CRKGQQZQEHUTOA-SANMLTNESA-N 0 0 480.605 5.267 40 0 JKABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498083 555417809 /nfs/dbraw/zinc/41/78/09/555417809.db2.gz BDBOQKZCQCDWAP-RUZDIDTESA-N 0 0 494.588 5.050 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498091 555417814 /nfs/dbraw/zinc/41/78/14/555417814.db2.gz VFSDPCXFEADYNO-AREMUKBSSA-N 0 0 478.589 5.466 40 0 JKABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498066 555417820 /nfs/dbraw/zinc/41/78/20/555417820.db2.gz CAEBPONEBIDAOT-SANMLTNESA-N 0 0 464.606 5.301 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498119 555418131 /nfs/dbraw/zinc/41/81/31/555418131.db2.gz BTNXGAZURNSWHA-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498120 555418182 /nfs/dbraw/zinc/41/81/82/555418182.db2.gz BTNXGAZURNSWHA-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498127 555418319 /nfs/dbraw/zinc/41/83/19/555418319.db2.gz JTMARLNOMBXUMA-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498144 555418335 /nfs/dbraw/zinc/41/83/35/555418335.db2.gz IXHMHYQXCQHOEZ-SANMLTNESA-N 0 0 464.606 5.301 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c(C)c1 ZINC000013498135 555418353 /nfs/dbraw/zinc/41/83/53/555418353.db2.gz FPDUZUQIEPZQAF-AREMUKBSSA-N 0 0 464.606 5.880 40 0 JKABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498143 555418364 /nfs/dbraw/zinc/41/83/64/555418364.db2.gz IXHMHYQXCQHOEZ-AREMUKBSSA-N 0 0 464.606 5.301 40 0 JKABRN O=C(Cc1cccs1)N(Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498149 555418378 /nfs/dbraw/zinc/41/83/78/555418378.db2.gz MZJYWKLMMXPNEU-HSZRJFAPSA-N 0 0 456.608 5.320 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498154 555418387 /nfs/dbraw/zinc/41/83/87/555418387.db2.gz MMWLKIBMYXKYSG-VWLOTQADSA-N 0 0 468.569 5.398 40 0 JKABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498129 555418395 /nfs/dbraw/zinc/41/83/95/555418395.db2.gz HJHSDOYQNBCEBW-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498158 555418645 /nfs/dbraw/zinc/41/86/45/555418645.db2.gz NZWSEEYAWFMORD-SANMLTNESA-N 0 0 480.605 5.267 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498160 555418652 /nfs/dbraw/zinc/41/86/52/555418652.db2.gz MOGYYYQQYSGKQR-SANMLTNESA-N 0 0 464.606 5.567 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1OC ZINC000013498180 555418662 /nfs/dbraw/zinc/41/86/62/555418662.db2.gz GDBJXLRPGMTQDV-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498161 555418666 /nfs/dbraw/zinc/41/86/66/555418666.db2.gz XDSJLSMJMVDHDW-RUZDIDTESA-N 0 0 450.579 5.259 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498157 555418671 /nfs/dbraw/zinc/41/86/71/555418671.db2.gz NZWSEEYAWFMORD-AREMUKBSSA-N 0 0 480.605 5.267 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498170 555418688 /nfs/dbraw/zinc/41/86/88/555418688.db2.gz OGBIYOVLUUBFJH-DEOSSOPVSA-N 0 0 454.542 5.402 40 0 JKABRN Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498202 555418872 /nfs/dbraw/zinc/41/88/72/555418872.db2.gz SYBIFDBWOBCPRT-SANMLTNESA-N 0 0 464.606 5.880 40 0 JKABRN CCc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498206 555418906 /nfs/dbraw/zinc/41/89/06/555418906.db2.gz OUYHUNIVQRYFPW-SANMLTNESA-N 0 0 464.606 5.825 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498188 555418921 /nfs/dbraw/zinc/41/89/21/555418921.db2.gz KVUHVRGXMOWZAS-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013498222 555418925 /nfs/dbraw/zinc/41/89/25/555418925.db2.gz WXIYRLCYISTVAA-MHZLTWQESA-N 0 0 476.642 5.437 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013498221 555418937 /nfs/dbraw/zinc/41/89/37/555418937.db2.gz WXIYRLCYISTVAA-HHHXNRCGSA-N 0 0 476.642 5.437 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498251 555419154 /nfs/dbraw/zinc/41/91/54/555419154.db2.gz AADJLGHCYUYSTM-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498252 555419160 /nfs/dbraw/zinc/41/91/60/555419160.db2.gz AADJLGHCYUYSTM-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 ZINC000013498243 555419165 /nfs/dbraw/zinc/41/91/65/555419165.db2.gz SHFUDRGJDFTCBJ-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1F ZINC000013498247 555419178 /nfs/dbraw/zinc/41/91/78/555419178.db2.gz LYDFQPMJWCHQIC-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498255 555419180 /nfs/dbraw/zinc/41/91/80/555419180.db2.gz WWTQYPGOQAEKMI-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013498234 555419195 /nfs/dbraw/zinc/41/91/95/555419195.db2.gz XBSXLEIVZKFLGA-SANMLTNESA-N 0 0 490.625 5.219 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c(OC)c1 ZINC000013498260 555419506 /nfs/dbraw/zinc/41/95/06/555419506.db2.gz VCKWWOAVLHMCQY-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013498262 555419510 /nfs/dbraw/zinc/41/95/10/555419510.db2.gz GJQPMMYQLQAWMP-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C(C)=O)cc2)cc1 ZINC000013498277 555419545 /nfs/dbraw/zinc/41/95/45/555419545.db2.gz LCGFMYYXOPJRGV-MUUNZHRXSA-N 0 0 488.653 5.889 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)cc1 ZINC000013498296 555419567 /nfs/dbraw/zinc/41/95/67/555419567.db2.gz PUUBNGMEQQJNNS-SANMLTNESA-N 0 0 464.606 5.567 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2c(C)cccc2C)cc1 ZINC000013498332 555419758 /nfs/dbraw/zinc/41/97/58/555419758.db2.gz QPXQZEJQFYYFDL-MHZLTWQESA-N 0 0 460.643 6.049 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c(OC)c1 ZINC000013498328 555419768 /nfs/dbraw/zinc/41/97/68/555419768.db2.gz SDTQKYLYKSVJBP-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000013498311 555419774 /nfs/dbraw/zinc/41/97/74/555419774.db2.gz JZBHGIBLHKUEOU-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013498304 555419789 /nfs/dbraw/zinc/41/97/89/555419789.db2.gz PRHTUUBSYDZXRZ-MHZLTWQESA-N 0 0 489.641 5.391 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013498330 555419805 /nfs/dbraw/zinc/41/98/05/555419805.db2.gz GZWYYQXILIKIRM-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(Cl)cc1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498354 555420036 /nfs/dbraw/zinc/42/00/36/555420036.db2.gz HXXGFTMUGFPJGR-DEOSSOPVSA-N 0 0 453.007 5.777 40 0 JKABRN CCOC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498367 555420100 /nfs/dbraw/zinc/42/01/00/555420100.db2.gz ZRWJLASRGITMCX-AREMUKBSSA-N 0 0 490.625 5.301 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1Cl)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498358 555420115 /nfs/dbraw/zinc/42/01/15/555420115.db2.gz KDSHZFRTMKSNOR-DEOSSOPVSA-N 0 0 453.007 5.777 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498431 555420304 /nfs/dbraw/zinc/42/03/04/555420304.db2.gz KVHOWAADUPSFIB-HHHXNRCGSA-N 0 0 484.648 5.592 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498389 555420415 /nfs/dbraw/zinc/42/04/15/555420415.db2.gz RZLZDPYYYMPKAM-AREMUKBSSA-N 0 0 462.615 5.523 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498424 555420426 /nfs/dbraw/zinc/42/04/26/555420426.db2.gz XSBKORGXMRJRGS-RUZDIDTESA-N 0 0 490.627 5.371 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498390 555420446 /nfs/dbraw/zinc/42/04/46/555420446.db2.gz RZLZDPYYYMPKAM-SANMLTNESA-N 0 0 462.615 5.523 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c(OC)c1 ZINC000013498399 555420452 /nfs/dbraw/zinc/42/04/52/555420452.db2.gz WDXQTHOETNRBLL-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498458 555420702 /nfs/dbraw/zinc/42/07/02/555420702.db2.gz KEZQCYPYBNSPQO-SANMLTNESA-N 0 0 486.664 5.540 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498442 555420752 /nfs/dbraw/zinc/42/07/52/555420752.db2.gz JEBAJEOORQMBGZ-NDEPHWFRSA-N 0 0 498.675 5.982 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498499 555421007 /nfs/dbraw/zinc/42/10/07/555421007.db2.gz AZOCJJDMZSZYJA-VWLOTQADSA-N 0 0 490.627 5.507 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498485 555421116 /nfs/dbraw/zinc/42/11/16/555421116.db2.gz RWUQBXPHHLSZQU-DEOSSOPVSA-N 0 0 476.600 5.117 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498501 555421145 /nfs/dbraw/zinc/42/11/45/555421145.db2.gz WUQNCRZBGXYRPN-QHCPKHFHSA-N 0 0 478.666 5.429 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498496 555421235 /nfs/dbraw/zinc/42/12/35/555421235.db2.gz WXAKYLNYSPPWBI-RUZDIDTESA-N 0 0 472.637 5.368 40 0 JKABRN Cc1ccc2cc(CN(Cc3cccs3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498522 555421452 /nfs/dbraw/zinc/42/14/52/555421452.db2.gz FMXBZGVFBFSLLO-RUZDIDTESA-N 0 0 490.677 5.789 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498519 555421527 /nfs/dbraw/zinc/42/15/27/555421527.db2.gz SQVDXUBQENKQES-MHZLTWQESA-N 0 0 484.648 5.728 40 0 JKABRN Cc1ccc2cc(CN(CCc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498529 555421546 /nfs/dbraw/zinc/42/15/46/555421546.db2.gz KBCKNGOMJJVEPV-NDEPHWFRSA-N 0 0 498.675 5.770 40 0 JKABRN Cc1ccc2cc(CN(CCc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498528 555421606 /nfs/dbraw/zinc/42/16/06/555421606.db2.gz KBCKNGOMJJVEPV-MUUNZHRXSA-N 0 0 498.675 5.770 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccco3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498584 555422502 /nfs/dbraw/zinc/42/25/02/555422502.db2.gz QNDKTOBWODQTBJ-MHZLTWQESA-N 0 0 496.615 5.058 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498614 555422978 /nfs/dbraw/zinc/42/29/78/555422978.db2.gz GQJWONIIMODRMN-VWLOTQADSA-N 0 0 488.636 5.068 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498641 555423072 /nfs/dbraw/zinc/42/30/72/555423072.db2.gz COPPTAFIGTVHHP-VWLOTQADSA-N 0 0 490.608 5.021 40 0 JKABRN CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccccc1F ZINC000009694899 555424813 /nfs/dbraw/zinc/42/48/13/555424813.db2.gz NRBCUPSPHHEGKH-UHFFFAOYSA-N 0 0 496.391 5.198 40 0 JKABRN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000009694964 555424852 /nfs/dbraw/zinc/42/48/52/555424852.db2.gz FNXLQTMHVWWNFX-UHFFFAOYSA-N 0 0 487.002 5.236 40 0 JKABRN Cc1cc2cc(CN(Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498847 555424996 /nfs/dbraw/zinc/42/49/96/555424996.db2.gz JCXNJLQHOYQXIR-QHCPKHFHSA-N 0 0 478.666 5.347 40 0 JKABRN Cc1cc2cc(CN(CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498853 555425601 /nfs/dbraw/zinc/42/56/01/555425601.db2.gz AGSLGVJCJUTKLX-SANMLTNESA-N 0 0 486.664 5.328 40 0 JKABRN Cc1cc2cc(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498909 555425936 /nfs/dbraw/zinc/42/59/36/555425936.db2.gz ZQSXYJMUWCRTTO-MHZLTWQESA-N 0 0 496.615 5.172 40 0 JKABRN Cc1cc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498908 555425988 /nfs/dbraw/zinc/42/59/88/555425988.db2.gz ZQSXYJMUWCRTTO-HHHXNRCGSA-N 0 0 496.615 5.172 40 0 JKABRN Cc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013498929 555426302 /nfs/dbraw/zinc/42/63/02/555426302.db2.gz YBESMJQXDPSJHE-NDEPHWFRSA-N 0 0 498.675 5.954 40 0 JKABRN 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CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500789 555443796 /nfs/dbraw/zinc/44/37/96/555443796.db2.gz PTVOMBVUQRGXCV-SANMLTNESA-N 0 0 484.648 5.872 40 0 JKABRN CCC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500781 555443868 /nfs/dbraw/zinc/44/38/68/555443868.db2.gz CAZYDABDOIONNB-SANMLTNESA-N 0 0 482.588 5.008 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500775 555443877 /nfs/dbraw/zinc/44/38/77/555443877.db2.gz OMSMJQVIAAKNNJ-MHZLTWQESA-N 0 0 484.648 5.872 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500796 555444012 /nfs/dbraw/zinc/44/40/12/555444012.db2.gz ZCOKZCHBLVFYGI-AREMUKBSSA-N 0 0 484.648 5.790 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500786 555444021 /nfs/dbraw/zinc/44/40/21/555444021.db2.gz NRZXYERPMUBEMZ-RUZDIDTESA-N 0 0 470.621 5.482 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500828 555444268 /nfs/dbraw/zinc/44/42/68/555444268.db2.gz LZGOZWRCWPLRBG-XMMPIXPASA-N 0 0 490.627 5.651 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500831 555444278 /nfs/dbraw/zinc/44/42/78/555444278.db2.gz DOYQSZOMVWRPIY-VWLOTQADSA-N 0 0 488.611 5.621 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500823 555444308 /nfs/dbraw/zinc/44/43/08/555444308.db2.gz PNQXYXWDXMVOLI-MHZLTWQESA-N 0 0 498.675 6.099 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500811 555444335 /nfs/dbraw/zinc/44/43/35/555444335.db2.gz LUIFOVFANGGKSB-MHZLTWQESA-N 0 0 498.675 6.180 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cccnc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500856 555444851 /nfs/dbraw/zinc/44/48/51/555444851.db2.gz BJJURLXZTNWCIY-XMMPIXPASA-N 0 0 487.652 5.215 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500928 555445509 /nfs/dbraw/zinc/44/55/09/555445509.db2.gz MBTJTFVWIYAGAW-XMMPIXPASA-N 0 0 474.609 5.383 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500941 555445612 /nfs/dbraw/zinc/44/56/12/555445612.db2.gz YDEYGRLBOLZAIL-VWLOTQADSA-N 0 0 490.608 5.165 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500989 555445813 /nfs/dbraw/zinc/44/58/13/555445813.db2.gz PVNAIRBUDOWZPV-MHZLTWQESA-N 0 0 484.648 5.524 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500970 555445923 /nfs/dbraw/zinc/44/59/23/555445923.db2.gz JXSGFLUMOISTDC-HSZRJFAPSA-N 0 0 492.693 5.882 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500959 555445931 /nfs/dbraw/zinc/44/59/31/555445931.db2.gz FRMXDEQZWIZXQR-DEOSSOPVSA-N 0 0 476.650 5.543 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500977 555445947 /nfs/dbraw/zinc/44/59/47/555445947.db2.gz DQUXBSIBLYWJKW-VWLOTQADSA-N 0 0 486.664 5.554 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500980 555446026 /nfs/dbraw/zinc/44/60/26/555446026.db2.gz SQSIHRYRAASVTK-HHHXNRCGSA-N 0 0 498.675 5.914 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500995 555446315 /nfs/dbraw/zinc/44/63/15/555446315.db2.gz CEUVPVPDKSGIQX-MHZLTWQESA-N 0 0 498.675 5.833 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500994 555446362 /nfs/dbraw/zinc/44/63/62/555446362.db2.gz CEUVPVPDKSGIQX-HHHXNRCGSA-N 0 0 498.675 5.833 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500996 555446383 /nfs/dbraw/zinc/44/63/83/555446383.db2.gz JKKFWECEZBBCOK-HHHXNRCGSA-N 0 0 498.675 5.833 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500990 555446399 /nfs/dbraw/zinc/44/63/99/555446399.db2.gz GLXCASIMDXENFB-MUUNZHRXSA-N 0 0 498.675 5.914 40 0 JKABRN Cc1ccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@@H](C(=O)NC(C)C)c2ccc(Cl)cc2)cc1 ZINC000013501377 555449279 /nfs/dbraw/zinc/44/92/79/555449279.db2.gz LZPRQYJKTMWRQE-AREMUKBSSA-N 0 0 493.007 5.061 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2nccs2)c2ccccc2C)cc1 ZINC000013501814 555451496 /nfs/dbraw/zinc/45/14/96/555451496.db2.gz RRHKSOFMKOAXGG-DEOSSOPVSA-N 0 0 492.645 5.168 40 0 JKABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2nccs2)c2ccc(C)cc2)cc1 ZINC000013501817 555451517 /nfs/dbraw/zinc/45/15/17/555451517.db2.gz LEVVKMNEVDPRMV-XMMPIXPASA-N 0 0 492.645 5.168 40 0 JKABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2nccs2)c2ccccc2C)cc1 ZINC000013501813 555451530 /nfs/dbraw/zinc/45/15/30/555451530.db2.gz RRHKSOFMKOAXGG-XMMPIXPASA-N 0 0 492.645 5.168 40 0 JKABRN Cc1cc(OCc2nnc(SCC(=O)N(C)c3nc(-c4ccccc4)cs3)o2)ccc1Cl ZINC000013502021 555452531 /nfs/dbraw/zinc/45/25/31/555452531.db2.gz MYFIRJDKKJGMJR-UHFFFAOYSA-N 0 0 487.006 5.489 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000013502073 555452557 /nfs/dbraw/zinc/45/25/57/555452557.db2.gz JYVKVAGHJPQFGE-XMMPIXPASA-N 0 0 463.603 5.379 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000013502074 555452577 /nfs/dbraw/zinc/45/25/77/555452577.db2.gz JYVKVAGHJPQFGE-DEOSSOPVSA-N 0 0 463.603 5.379 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccc(F)c1 ZINC000013502107 555452802 /nfs/dbraw/zinc/45/28/02/555452802.db2.gz UAHJBCUXGQRWDP-AREMUKBSSA-N 0 0 475.564 5.456 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccc(F)cc1 ZINC000013502105 555452813 /nfs/dbraw/zinc/45/28/13/555452813.db2.gz UYGAAGABWZFZAQ-AREMUKBSSA-N 0 0 475.564 5.456 40 0 JKABRN COc1ccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2Cl)cc1 ZINC000013502083 555452821 /nfs/dbraw/zinc/45/28/21/555452821.db2.gz SLKKAOYERMJOPA-AREMUKBSSA-N 0 0 492.019 5.576 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccc(C(C)=O)cc1 ZINC000013502110 555452832 /nfs/dbraw/zinc/45/28/32/555452832.db2.gz XCJMRUPHBBQBSE-NDEPHWFRSA-N 0 0 499.611 5.520 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1Cl)N(Cc1cccs1)C(=O)c1ccccn1 ZINC000013502079 555452836 /nfs/dbraw/zinc/45/28/36/555452836.db2.gz KBALRBLESYWWJT-HSZRJFAPSA-N 0 0 468.022 5.629 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1 ZINC000013502094 555452841 /nfs/dbraw/zinc/45/28/41/555452841.db2.gz TXORHCAMMORPIL-VWLOTQADSA-N 0 0 477.630 5.374 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(CCc1ccccc1)C(=O)c1ccccn1 ZINC000013502115 555452967 /nfs/dbraw/zinc/45/29/67/555452967.db2.gz POKPXCXNWCKMQB-AREMUKBSSA-N 0 0 459.565 5.096 40 0 JKABRN COc1ccc(CN(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 ZINC000013502128 555453032 /nfs/dbraw/zinc/45/30/32/555453032.db2.gz HASCGSFAGHFQFA-SANMLTNESA-N 0 0 475.564 5.062 40 0 JKABRN COc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 ZINC000013502147 555453075 /nfs/dbraw/zinc/45/30/75/555453075.db2.gz FMYRCPURPZGYNH-RUZDIDTESA-N 0 0 461.537 5.066 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)c1ccccn1 ZINC000013502122 555453087 /nfs/dbraw/zinc/45/30/87/555453087.db2.gz GTSFNWZCBDIVDN-VWLOTQADSA-N 0 0 479.983 5.707 40 0 JKABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)c1 ZINC000013502193 555453232 /nfs/dbraw/zinc/45/32/32/555453232.db2.gz DBVRSCSFQKHBEE-AREMUKBSSA-N 0 0 491.563 5.075 40 0 JKABRN COc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1 ZINC000013502184 555453236 /nfs/dbraw/zinc/45/32/36/555453236.db2.gz WQSIUROFTXYNJT-SANMLTNESA-N 0 0 457.574 5.236 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)c1ccccn1 ZINC000013502154 555453243 /nfs/dbraw/zinc/45/32/43/555453243.db2.gz KVDPCODSVIPICL-MHZLTWQESA-N 0 0 455.602 5.265 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)c(OC)c1 ZINC000013502212 555453629 /nfs/dbraw/zinc/45/36/29/555453629.db2.gz QENVVEOGIIQAFG-SANMLTNESA-N 0 0 491.563 5.075 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(Cl)cc2)c1 ZINC000013502256 555453777 /nfs/dbraw/zinc/45/37/77/555453777.db2.gz MIVIFOZVVRXWQS-VWLOTQADSA-N 0 0 477.992 5.581 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(C)c2)cc1OC ZINC000013502234 555453789 /nfs/dbraw/zinc/45/37/89/555453789.db2.gz SPBZDBBDPIEXBQ-MHZLTWQESA-N 0 0 487.600 5.244 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccccn2)c1 ZINC000013502249 555453838 /nfs/dbraw/zinc/45/38/38/555453838.db2.gz BAYDICZUFIKPRE-HHHXNRCGSA-N 0 0 471.601 5.231 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C)c(F)c2)c1 ZINC000013502260 555453893 /nfs/dbraw/zinc/45/38/93/555453893.db2.gz OYJWBQUMOMHPMX-SANMLTNESA-N 0 0 475.564 5.375 40 0 JKABRN Cc1ccc(CN(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502295 555454064 /nfs/dbraw/zinc/45/40/64/555454064.db2.gz HRKBOICOEGNJLI-SANMLTNESA-N 0 0 459.565 5.362 40 0 JKABRN COc1cccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013502289 555454143 /nfs/dbraw/zinc/45/41/43/555454143.db2.gz CJLFAAUVKZYHRM-AREMUKBSSA-N 0 0 475.564 5.062 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C(C)=O)cc2)c1 ZINC000013502264 555454178 /nfs/dbraw/zinc/45/41/78/555454178.db2.gz FEUNYELFFIZBNJ-MHZLTWQESA-N 0 0 485.584 5.130 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(Cl)c2)cc1 ZINC000013502332 555454362 /nfs/dbraw/zinc/45/43/62/555454362.db2.gz KULLOIDDKSBPMF-RUZDIDTESA-N 0 0 477.992 5.581 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccccn2)cc1 ZINC000013502329 555454371 /nfs/dbraw/zinc/45/43/71/555454371.db2.gz CDKACERFRZGVNC-SANMLTNESA-N 0 0 475.564 5.062 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccccn2)cc1 ZINC000013502358 555454602 /nfs/dbraw/zinc/45/46/02/555454602.db2.gz ATQLKTIVDQELKN-MUUNZHRXSA-N 0 0 485.628 5.355 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)cc1 ZINC000013502367 555454640 /nfs/dbraw/zinc/45/46/40/555454640.db2.gz XEPSVEJDEYUSGW-SANMLTNESA-N 0 0 475.564 5.456 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(NC(C)=O)cc2)cc1 ZINC000013502382 555454887 /nfs/dbraw/zinc/45/48/87/555454887.db2.gz DKCQEQLXFBUDNJ-MUUNZHRXSA-N 0 0 498.627 5.439 40 0 JKABRN CCOC(=O)c1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000013502423 555455304 /nfs/dbraw/zinc/45/53/04/555455304.db2.gz QTULJILMQUDZJR-SANMLTNESA-N 0 0 485.584 5.095 40 0 JKABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)NCc4cccs4)n21)CC[C@@H](C)C3 ZINC000013502560 555455860 /nfs/dbraw/zinc/45/58/60/555455860.db2.gz BYOFARZPICVNIQ-CYBMUJFWSA-N 0 0 471.677 5.057 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)C3CCCCC3)cc12 ZINC000013502621 555456184 /nfs/dbraw/zinc/45/61/84/555456184.db2.gz LNHJCUZNCJSVQL-UHFFFAOYSA-N 0 0 452.624 5.085 40 0 JKABRN CCc1nnc(NC(=O)CSc2nc(COc3ccccc3)nc3sc4c(c32)CCCC4)s1 ZINC000013502661 555456543 /nfs/dbraw/zinc/45/65/43/555456543.db2.gz PKOOAIGWPXYZFS-UHFFFAOYSA-N 0 0 497.671 5.294 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)c3ccc(C)cc3)cc12 ZINC000013502630 555456580 /nfs/dbraw/zinc/45/65/80/555456580.db2.gz IHGZDMMNKCKZGZ-UHFFFAOYSA-N 0 0 472.614 5.409 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)Cc3ccc(C)cc3)cc12 ZINC000013502637 555456613 /nfs/dbraw/zinc/45/66/13/555456613.db2.gz SKYSONXTSNUIPP-UHFFFAOYSA-N 0 0 486.641 5.405 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CC)c(C)c1 ZINC000013503276 555460070 /nfs/dbraw/zinc/46/00/70/555460070.db2.gz MOTUYRNMCQXWDW-UHFFFAOYSA-N 0 0 457.625 5.194 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)C1=Cc2ccccc2OC1 ZINC000013503370 555460631 /nfs/dbraw/zinc/46/06/31/555460631.db2.gz IBZSUQVESAWZRJ-GDLZYMKVSA-N 0 0 498.598 5.821 40 0 JKABRN COc1cc(OC)cc(C2=Nc3ccc(OC(F)(F)F)cc3C(c3ccc(F)cc3)=NN2)c1 ZINC000013503426 555460920 /nfs/dbraw/zinc/46/09/20/555460920.db2.gz IJGNHSTWAMPTIB-UHFFFAOYSA-N 0 0 459.399 5.175 40 0 JKABRN Cc1occc1C(=O)N(c1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000013503537 555460925 /nfs/dbraw/zinc/46/09/25/555460925.db2.gz FYZDMZVDKLUERH-RUZDIDTESA-N 0 0 478.470 5.710 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccc(C)cc2)c(OC)c1 ZINC000013503507 555460952 /nfs/dbraw/zinc/46/09/52/555460952.db2.gz GVJPLSPUMKEHKD-AREMUKBSSA-N 0 0 476.573 5.361 40 0 JKABRN Cc1occc1C(=O)N(Cc1ccccc1Cl)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013503543 555461227 /nfs/dbraw/zinc/46/12/27/555461227.db2.gz ZECSAXRLOFPVBL-RUZDIDTESA-N 0 0 482.983 6.213 40 0 JKABRN Cc1occc1C(=O)N(Cc1ccccc1Cl)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013503544 555461243 /nfs/dbraw/zinc/46/12/43/555461243.db2.gz ZECSAXRLOFPVBL-VWLOTQADSA-N 0 0 482.983 6.213 40 0 JKABRN CCc1cc2ccc(C)c(C)c2nc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000013503577 555461248 /nfs/dbraw/zinc/46/12/48/555461248.db2.gz FSIRVHDPWQINTE-UHFFFAOYSA-N 0 0 491.081 7.989 40 0 JKABRN CC(C)c1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000013506038 555469317 /nfs/dbraw/zinc/46/93/17/555469317.db2.gz AMRLSVSOILNFCU-VWLOTQADSA-N 0 0 493.629 5.028 40 0 JKABRN Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013506457 555471559 /nfs/dbraw/zinc/47/15/59/555471559.db2.gz MNHZJQFSIIRIIA-DEOSSOPVSA-N 0 0 495.670 5.071 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1ccc(OC)cc1 ZINC000013509664 555481494 /nfs/dbraw/zinc/48/14/94/555481494.db2.gz SSPTXFVGZGRYFE-UHFFFAOYSA-N 0 0 462.981 6.045 40 0 JKABRN CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccc(OC)cc1 ZINC000013509679 555481519 /nfs/dbraw/zinc/48/15/19/555481519.db2.gz CRBSEMAZCYGSGU-UHFFFAOYSA-N 0 0 477.996 6.437 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccc(OC)cc1 ZINC000013509670 555481547 /nfs/dbraw/zinc/48/15/47/555481547.db2.gz JZWJALFFJSGACZ-UHFFFAOYSA-N 0 0 462.981 6.045 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CCCCC4)nc(NCCNC(=O)c4ccco4)c32)C1 ZINC000013510237 555482025 /nfs/dbraw/zinc/48/20/25/555482025.db2.gz KNWCIYKMFWFJJN-GOSISDBHSA-N 0 0 480.678 6.325 40 0 JKABRN Cc1nnc(NC(=O)CSc2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)s1 ZINC000013510539 555482578 /nfs/dbraw/zinc/48/25/78/555482578.db2.gz XHYXKIPAAJOQAR-UHFFFAOYSA-N 0 0 467.645 5.052 40 0 JKABRN O=C(CSc1nc(C2CCCCC2)nc2sc3c(c21)CCCC3)Nc1ccccc1Cl ZINC000013510535 555482598 /nfs/dbraw/zinc/48/25/98/555482598.db2.gz ZVXAWZQFQFZQKH-UHFFFAOYSA-N 0 0 472.079 7.002 40 0 JKABRN Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc32)c(Br)c1 ZINC000013510957 555482812 /nfs/dbraw/zinc/48/28/12/555482812.db2.gz JEUZXWYENUWDBC-UHFFFAOYSA-N 0 0 489.395 5.694 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 ZINC000013511326 555483049 /nfs/dbraw/zinc/48/30/49/555483049.db2.gz ODJHQDUYRVGTKL-HJOGWXRNSA-N 0 0 462.933 5.180 40 0 JKABRN CCCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccs4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013511392 555483094 /nfs/dbraw/zinc/48/30/94/555483094.db2.gz ZJEZDPAHFJVQDT-SGNDLWITSA-N 0 0 462.571 5.368 40 0 JKABRN Cc1cc(C(=O)c2ccc(Br)cc2)c(NC(=O)CN2CCc3ccccc3C2)s1 ZINC000013511872 555483564 /nfs/dbraw/zinc/48/35/64/555483564.db2.gz GJDFJXNOJCHRPP-UHFFFAOYSA-N 0 0 469.404 5.047 40 0 JKABRN O=C(CN1CCc2ccccc2C1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 ZINC000013511863 555483566 /nfs/dbraw/zinc/48/35/66/555483566.db2.gz GDKDGJSENXUKSJ-UHFFFAOYSA-N 0 0 450.991 5.118 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccoc2C)c1OC ZINC000013512647 555483799 /nfs/dbraw/zinc/48/37/99/555483799.db2.gz JOOVCBFPPXMBAP-SANMLTNESA-N 0 0 490.600 5.438 40 0 JKABRN CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1cccc(C(F)(F)F)c1 ZINC000013512817 555484091 /nfs/dbraw/zinc/48/40/91/555484091.db2.gz WUILLFFNNRFLNH-UHFFFAOYSA-N 0 0 481.522 6.793 40 0 JKABRN CCCCc1nc2cc(NC(=O)CCC(=O)OCC)c(C)nc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000013512775 555484097 /nfs/dbraw/zinc/48/40/97/555484097.db2.gz GLPADULFOJIGDZ-UHFFFAOYSA-N 0 0 490.526 5.431 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2cccnc2)cc1 ZINC000013513170 555484252 /nfs/dbraw/zinc/48/42/52/555484252.db2.gz JFOJZLUAKXDWIB-UHFFFAOYSA-N 0 0 465.966 5.112 40 0 JKABRN CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013513363 555484274 /nfs/dbraw/zinc/48/42/74/555484274.db2.gz VEZFHJVGNZZXTO-KXMWUTRISA-N 0 0 450.579 5.370 40 0 JKABRN Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1cc2cc3cccc(C)c3nc2s1 ZINC000013513791 555484837 /nfs/dbraw/zinc/48/48/37/555484837.db2.gz WWPMKNGZDWBCTM-UHFFFAOYSA-N 0 0 471.626 6.162 40 0 JKABRN C[C@@H](OC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)C/C2=C\c1cccs1)C(=O)NC(N)=O ZINC000013526830 555487457 /nfs/dbraw/zinc/48/74/57/555487457.db2.gz GKEQKDPPRLTCGW-DGOVAZGXSA-N 0 0 491.613 5.186 40 0 JKABRN O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccoc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000013534144 555488356 /nfs/dbraw/zinc/48/83/56/555488356.db2.gz GOHXKZKSPHQXKG-HHHXNRCGSA-N 0 0 485.559 5.856 40 0 JKABRN Cc1ccc(COc2cccc(C(=S)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)cc1 ZINC000013547804 555490226 /nfs/dbraw/zinc/49/02/26/555490226.db2.gz GOCKLZKXJMTAOY-UHFFFAOYSA-N 0 0 492.688 6.657 40 0 JKABRN CC(=O)Nc1ccccc1Sc1ccc2c3c1cccc3C(=O)N(c1ccc(C)cc1C)C2=O ZINC000013548888 555490548 /nfs/dbraw/zinc/49/05/48/555490548.db2.gz UKSFCFXVKIFDMZ-UHFFFAOYSA-N 0 0 466.562 6.367 40 0 JKABRN COc1ccc(Cn2nnnc2[C@@H](c2cccc(C(F)(F)F)c2)N2CCCc3ccccc32)cc1 ZINC000013561751 555495033 /nfs/dbraw/zinc/49/50/33/555495033.db2.gz UTBLGHIVMJOXEZ-XMMPIXPASA-N 0 0 479.506 5.291 40 0 JKABRN COCCn1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000013561795 555495079 /nfs/dbraw/zinc/49/50/79/555495079.db2.gz SJNCMFGXMPGMHF-RUZDIDTESA-N 0 0 495.549 5.173 40 0 JKABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC000013561786 555495091 /nfs/dbraw/zinc/49/50/91/555495091.db2.gz ZFWSKZFXCDIUOI-XMMPIXPASA-N 0 0 481.522 5.360 40 0 JKABRN FC(F)(F)c1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCCc3ccccc32)cc1 ZINC000013561753 555495105 /nfs/dbraw/zinc/49/51/05/555495105.db2.gz HNAOYAJGXFFTPW-DEOSSOPVSA-N 0 0 463.507 5.477 40 0 JKABRN CC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)N(CCc1ccccc1)Cc1cccs1 ZINC000013561902 555495366 /nfs/dbraw/zinc/49/53/66/555495366.db2.gz BFCDMBFRVAAXMQ-HSZRJFAPSA-N 0 0 499.606 6.343 40 0 JKABRN COc1ccc([C@H](c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1OC ZINC000013561894 555495400 /nfs/dbraw/zinc/49/54/00/555495400.db2.gz IDBQQEGFIZXAGJ-XMMPIXPASA-N 0 0 496.011 5.484 40 0 JKABRN Cc1cccc2cc(CN(CCN3CCOCC3)C(=O)Nc3c(C)cccc3C)c(Cl)nc12 ZINC000013561976 555495463 /nfs/dbraw/zinc/49/54/63/555495463.db2.gz OZCKDAASQIUFQD-UHFFFAOYSA-N 0 0 467.013 5.180 40 0 JKABRN COc1cc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)C2CC2)cc(OC)c1OC ZINC000013562001 555495630 /nfs/dbraw/zinc/49/56/30/555495630.db2.gz JEQYBMLWUDWEOF-UHFFFAOYSA-N 0 0 454.954 5.161 40 0 JKABRN COc1ccc2cc(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3ccccc3C)c(Cl)nc2c1 ZINC000013561988 555495656 /nfs/dbraw/zinc/49/56/56/555495656.db2.gz YMCYKOQSHMWGGL-UHFFFAOYSA-N 0 0 490.987 6.065 40 0 JKABRN COc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3ccccc3C)cc2c1 ZINC000013561987 555495658 /nfs/dbraw/zinc/49/56/58/555495658.db2.gz FGOUMPJUZQIINJ-UHFFFAOYSA-N 0 0 490.987 6.065 40 0 JKABRN COc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)C3CCC3)cc2c1 ZINC000013561999 555495662 /nfs/dbraw/zinc/49/56/62/555495662.db2.gz REVLWPSOXDNKDS-UHFFFAOYSA-N 0 0 454.954 5.243 40 0 JKABRN COc1ccc(CCN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2cccc(OC)c2)cc1 ZINC000013562004 555495670 /nfs/dbraw/zinc/49/56/70/555495670.db2.gz NOFKOKUONMUCKC-UHFFFAOYSA-N 0 0 489.015 6.407 40 0 JKABRN COc1ccc2nc(Cl)c(CN(C(=O)c3ccccc3OC)C3CCC(C)CC3)cc2c1 ZINC000013562030 555495862 /nfs/dbraw/zinc/49/58/62/555495862.db2.gz VYMXWUYJCKUBQK-UHFFFAOYSA-N 0 0 452.982 6.127 40 0 JKABRN COc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCC(C)CC2)c1 ZINC000013562032 555495905 /nfs/dbraw/zinc/49/59/05/555495905.db2.gz FUPJEWQAGPADAB-UHFFFAOYSA-N 0 0 481.036 6.743 40 0 JKABRN COc1ccc(CCN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2ccccc2OC)cc1 ZINC000013562011 555495940 /nfs/dbraw/zinc/49/59/40/555495940.db2.gz FKHMJTAHYYTBCC-UHFFFAOYSA-N 0 0 489.015 6.407 40 0 JKABRN O=C(CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1)Nc1ccc(N2CCCC2)cc1 ZINC000013562327 555496514 /nfs/dbraw/zinc/49/65/14/555496514.db2.gz QTSSYEJFDXCMDV-UHFFFAOYSA-N 0 0 481.065 6.650 40 0 JKABRN CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000013562433 555496765 /nfs/dbraw/zinc/49/67/65/555496765.db2.gz SIUMYQXCQMFAED-BGYRXZFFSA-N 0 0 492.689 5.396 40 0 JKABRN O=C(CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000013562335 555496825 /nfs/dbraw/zinc/49/68/25/555496825.db2.gz CNNQFDUXOZXRAR-UHFFFAOYSA-N 0 0 497.064 5.886 40 0 JKABRN COc1ccccc1N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(C)cc4)nn32)CC1 ZINC000013562694 555497333 /nfs/dbraw/zinc/49/73/33/555497333.db2.gz NCCDNBHHLATEJI-UHFFFAOYSA-N 0 0 475.596 5.707 40 0 JKABRN CC(C)N(C(=O)Cn1c2ccccc2nc1SCC(=O)Nc1ccc(N2CCCC2)cc1)C(C)C ZINC000013562612 555497335 /nfs/dbraw/zinc/49/73/35/555497335.db2.gz MEVOUFQQRFDWMB-UHFFFAOYSA-N 0 0 493.677 5.013 40 0 JKABRN Cc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(c5cccc(C)c5C)CC4)n3n2)c1 ZINC000013562734 555497543 /nfs/dbraw/zinc/49/75/43/555497543.db2.gz FFABSFUVFUFWBR-UHFFFAOYSA-N 0 0 473.624 6.315 40 0 JKABRN Fc1ccc(N2CCN(c3c4c(nc5cc(-c6ccc(Cl)cc6)nn53)CCCC4)CC2)cc1 ZINC000013562792 555497554 /nfs/dbraw/zinc/49/75/54/555497554.db2.gz FHAWIUGBIZLOHX-UHFFFAOYSA-N 0 0 461.972 5.394 40 0 JKABRN COc1ccc(-c2cc3nc(-c4ccccc4)cc(NCCc4ccc(Cl)cc4)n3n2)cc1OC ZINC000013562760 555497594 /nfs/dbraw/zinc/49/75/94/555497594.db2.gz KICPYMHUHKWGBU-UHFFFAOYSA-N 0 0 484.987 6.389 40 0 JKABRN Cc1cccc(N2CCN(c3c4c(nc5cc(-c6ccc(F)cc6)nn53)CCCC4)CC2)c1C ZINC000013562780 555497599 /nfs/dbraw/zinc/49/75/99/555497599.db2.gz 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KWPWPXFAVQBHCB-UHFFFAOYSA-N 0 0 463.386 5.057 40 0 JKABRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000013583110 555520462 /nfs/dbraw/zinc/52/04/62/555520462.db2.gz CBHVARSAQSPFKV-UHFFFAOYSA-N 0 0 470.978 5.478 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)NCc4ccccc4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584121 555521377 /nfs/dbraw/zinc/52/13/77/555521377.db2.gz NELUSDCAQGMEJE-UHFFFAOYSA-N 0 0 464.612 5.106 40 0 JKABRN CCOc1ccc(NC(=O)c2cc3cc(N(Cc4ccc(C)cc4)S(C)(=O)=O)ccc3s2)cc1 ZINC000013584220 555521605 /nfs/dbraw/zinc/52/16/05/555521605.db2.gz YDDYFEOIVWYDNE-UHFFFAOYSA-N 0 0 494.638 5.827 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)Nc4cccc(Cl)c4C)cc3c2)S(C)(=O)=O)cc1 ZINC000013584187 555521628 /nfs/dbraw/zinc/52/16/28/555521628.db2.gz GWARGLUAYDIJLH-UHFFFAOYSA-N 0 0 499.057 6.390 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(=O)NCCc3ccccc3)cc2c1 ZINC000013584346 555521902 /nfs/dbraw/zinc/52/19/02/555521902.db2.gz REZKCZQXHWMASA-UHFFFAOYSA-N 0 0 499.057 5.493 40 0 JKABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000019867728 555522029 /nfs/dbraw/zinc/52/20/29/555522029.db2.gz PRYFKRUHIUAWAO-UHFFFAOYSA-N 0 0 475.825 5.136 40 0 JKABRN CCCCCNC(=O)c1cc2cc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584459 555522076 /nfs/dbraw/zinc/52/20/76/555522076.db2.gz BFSUNSCCSMDOPL-UHFFFAOYSA-N 0 0 465.040 5.441 40 0 JKABRN CCC[C@H](C)NC(=O)c1cc2cc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584467 555522090 /nfs/dbraw/zinc/52/20/90/555522090.db2.gz MAKVOKFJUIHQAG-HNNXBMFYSA-N 0 0 465.040 5.439 40 0 JKABRN Cc1ccc(C)c(NC(=O)c2cc3cc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)ccc3s2)c1 ZINC000013584376 555522139 /nfs/dbraw/zinc/52/21/39/555522139.db2.gz ZCQNOSQODFEICW-UHFFFAOYSA-N 0 0 499.057 6.390 40 0 JKABRN CCc1ccc(NC(=O)c2cc3cc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)ccc3s2)cc1 ZINC000013584388 555522155 /nfs/dbraw/zinc/52/21/55/555522155.db2.gz AROUGFUHPMQPMF-UHFFFAOYSA-N 0 0 499.057 6.336 40 0 JKABRN Cc1cccc(NC(=O)c2cc3cc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)ccc3s2)c1C ZINC000013584370 555522191 /nfs/dbraw/zinc/52/21/91/555522191.db2.gz PIZZRGUYYUNMMD-UHFFFAOYSA-N 0 0 499.057 6.390 40 0 JKABRN CCN(c1ccc2sc(C(=O)NCC(C)C)cc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000013584577 555522414 /nfs/dbraw/zinc/52/24/14/555522414.db2.gz NGFYDIXEYVPDHY-UHFFFAOYSA-N 0 0 495.464 5.265 40 0 JKABRN CC(C)CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584555 555522446 /nfs/dbraw/zinc/52/24/46/555522446.db2.gz AQDUHKZXAANZOJ-UHFFFAOYSA-N 0 0 495.464 5.265 40 0 JKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868295 555522839 /nfs/dbraw/zinc/52/28/39/555522839.db2.gz WQTDQTJZNOISIX-UHFFFAOYSA-N 0 0 496.243 5.481 40 0 JKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868444 555522858 /nfs/dbraw/zinc/52/28/58/555522858.db2.gz VZXVNQMKNWMLLL-UHFFFAOYSA-N 0 0 496.243 5.481 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000013584953 555522932 /nfs/dbraw/zinc/52/29/32/555522932.db2.gz HJMGDAPBHRYPIW-UHFFFAOYSA-N 0 0 479.385 5.226 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585330 555523444 /nfs/dbraw/zinc/52/34/44/555523444.db2.gz LTZNCRFALCIBIL-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(Br)c(Cl)c1 ZINC000019869086 555523902 /nfs/dbraw/zinc/52/39/02/555523902.db2.gz OLTVZUYHBYXUJE-UHFFFAOYSA-N 0 0 495.757 5.056 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)N3CCCC3)cc2)cc1 ZINC000013585607 555523965 /nfs/dbraw/zinc/52/39/65/555523965.db2.gz KOTACCCEAPBLOX-UHFFFAOYSA-N 0 0 499.032 5.045 40 0 JKABRN O=C(Nc1ccc(Br)cc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013590183 555524512 /nfs/dbraw/zinc/52/45/12/555524512.db2.gz ANFMYGZWESLOSE-HMAPJEAMSA-N 0 0 460.331 5.340 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl ZINC000013609567 555532909 /nfs/dbraw/zinc/53/29/09/555532909.db2.gz RYFRWMGUXLHPOL-UHFFFAOYSA-N 0 0 473.743 6.397 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl ZINC000013609585 555533168 /nfs/dbraw/zinc/53/31/68/555533168.db2.gz TYTCGDMXGMDBEL-UHFFFAOYSA-N 0 0 457.288 5.882 40 0 JKABRN CCN(c1ccc2sc(C(=O)N[C@@H](C)c3ccccc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609901 555533417 /nfs/dbraw/zinc/53/34/17/555533417.db2.gz YDAOMLLGNUVVNH-IBGZPJMESA-N 0 0 478.639 5.916 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3ccc(C)cc3C)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000013609866 555533441 /nfs/dbraw/zinc/53/34/41/555533441.db2.gz KOLLPWAWMKOHKN-UHFFFAOYSA-N 0 0 494.638 5.994 40 0 JKABRN CN(c1ccc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2c1)S(C)(=O)=O ZINC000013609836 555533521 /nfs/dbraw/zinc/53/35/21/555533521.db2.gz RTUFTYWFSVYBBB-UHFFFAOYSA-N 0 0 499.013 5.434 40 0 JKABRN CCN(c1ccc2sc(C(=O)N3CCCCCC3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000013609876 555533539 /nfs/dbraw/zinc/53/35/39/555533539.db2.gz YVLOTNOGFCDBSX-UHFFFAOYSA-N 0 0 472.632 5.141 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3cc(C)ccc3C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609944 555533690 /nfs/dbraw/zinc/53/36/90/555533690.db2.gz LXZBEEQNJMCPCD-UHFFFAOYSA-N 0 0 478.639 6.294 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3cccc(C)c3C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609937 555533751 /nfs/dbraw/zinc/53/37/51/555533751.db2.gz ZRWBOSSKAZOCDT-UHFFFAOYSA-N 0 0 478.639 6.294 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3cccc(OC)c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609987 555533813 /nfs/dbraw/zinc/53/38/13/555533813.db2.gz RAXUCOVUBLMEQC-UHFFFAOYSA-N 0 0 480.611 5.686 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3ccc(Cl)cc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609973 555533823 /nfs/dbraw/zinc/53/38/23/555533823.db2.gz IJACMAQTWRLXPV-UHFFFAOYSA-N 0 0 485.030 6.331 40 0 JKABRN Cc1cccc(CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000013612567 555534780 /nfs/dbraw/zinc/53/47/80/555534780.db2.gz QSRXAFDRSJZUPN-MHZLTWQESA-N 0 0 479.045 5.785 40 0 JKABRN O=C(NCCSCc1ccccc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000013613466 555535301 /nfs/dbraw/zinc/53/53/01/555535301.db2.gz SIWYMCXXWDXVMP-AREMUKBSSA-N 0 0 480.630 5.263 40 0 JKABRN COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013616019 555536248 /nfs/dbraw/zinc/53/62/48/555536248.db2.gz LZWXHOJRCHNXTR-MTJSOVHGSA-N 0 0 451.881 5.720 40 0 JKABRN Cc1ccc(C(=O)[C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000013616497 555536535 /nfs/dbraw/zinc/53/65/35/555536535.db2.gz OBDHNUMKUNWKSB-WIOPSUGQSA-N 0 0 461.359 5.818 40 0 JKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628504 555540217 /nfs/dbraw/zinc/54/02/17/555540217.db2.gz ZTIZIMULEFCZIK-HXUWFJFHSA-N 0 0 472.629 6.940 40 0 JKABRN CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1ccc(Br)cc1 ZINC000019927288 555542203 /nfs/dbraw/zinc/54/22/03/555542203.db2.gz WYSREWXDSQVOBE-UHFFFAOYSA-N 0 0 471.207 6.009 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccc(Br)cc1 ZINC000019927734 555542535 /nfs/dbraw/zinc/54/25/35/555542535.db2.gz BBLSGWXDNWOGKC-UHFFFAOYSA-N 0 0 460.332 5.209 40 0 JKABRN CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccc(Br)cc1 ZINC000019927710 555542597 /nfs/dbraw/zinc/54/25/97/555542597.db2.gz NGEJSVGIECLRLT-UHFFFAOYSA-N 0 0 496.228 5.221 40 0 JKABRN CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccc(Br)cc1 ZINC000019927707 555542603 /nfs/dbraw/zinc/54/26/03/555542603.db2.gz QZLAKRZNQSNNQY-UHFFFAOYSA-N 0 0 496.228 5.221 40 0 JKABRN O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000013634403 555544004 /nfs/dbraw/zinc/54/40/04/555544004.db2.gz DJSQFACBBHNJRJ-CYBMUJFWSA-N 0 0 471.405 5.153 40 0 JKABRN O=c1oc(Cc2cccs2)nc2ccc(Cc3ccc4nc(Cc5cccs5)oc(=O)c4c3)cc12 ZINC000013634251 555544058 /nfs/dbraw/zinc/54/40/58/555544058.db2.gz YCJIDTIARPHXGR-UHFFFAOYSA-N 0 0 498.585 5.585 40 0 JKABRN CC(C)CCN1c2ccccc2[C@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(=O)NC1CCCCC1 ZINC000013635410 555544647 /nfs/dbraw/zinc/54/46/47/555544647.db2.gz XRESBIKMTWMREN-SSEXGKCCSA-N 0 0 484.644 5.705 40 0 JKABRN CCCCN1c2ccccc2[C@@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(=O)NC1CCCCC1 ZINC000013635402 555544734 /nfs/dbraw/zinc/54/47/34/555544734.db2.gz KNHGZAGQJFKZGN-LJAQVGFWSA-N 0 0 470.617 5.459 40 0 JKABRN CCCCCN1c2ccc(Br)cc2[C@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(C)=O ZINC000013635560 555545065 /nfs/dbraw/zinc/54/50/65/555545065.db2.gz DOMBXFKRGMQUOJ-RUZDIDTESA-N 0 0 480.406 5.115 40 0 JKABRN Cc1nn2c(nnc(C(=O)Nc3ccc(Cl)c(C)c3)c2C)c1-c1ccc(Br)cc1 ZINC000013635791 555545072 /nfs/dbraw/zinc/54/50/72/555545072.db2.gz XPFJEUXRQQOUDM-UHFFFAOYSA-N 0 0 470.758 5.385 40 0 JKABRN Cc1nn2c(nnc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1ccc(Br)cc1 ZINC000013635776 555545078 /nfs/dbraw/zinc/54/50/78/555545078.db2.gz NTKOMSRVUOVWKJ-UHFFFAOYSA-N 0 0 456.731 5.076 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)nnc1-c1cc(OC)cc(OC)c1 ZINC000019928889 555545190 /nfs/dbraw/zinc/54/51/90/555545190.db2.gz GAJLBEUIZWMKLB-UHFFFAOYSA-N 0 0 479.606 5.622 40 0 JKABRN COc1cc(OC)cc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)c1 ZINC000019929024 555545333 /nfs/dbraw/zinc/54/53/33/555545333.db2.gz YMDZGLROEBIAJB-UHFFFAOYSA-N 0 0 465.318 5.403 40 0 JKABRN COc1ccc(Cl)cc1-c1nc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n[nH]1 ZINC000019929208 555545693 /nfs/dbraw/zinc/54/56/93/555545693.db2.gz BIDBDILAJICHCU-UHFFFAOYSA-N 0 0 455.971 5.774 40 0 JKABRN COCc1nn2c(ncc3c2C[C@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013638466 555545740 /nfs/dbraw/zinc/54/57/40/555545740.db2.gz AJIBQMLGSBKLAQ-KRWDZBQOSA-N 0 0 477.948 5.126 40 0 JKABRN CC(=O)Nc1cccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)c1 ZINC000019929274 555545869 /nfs/dbraw/zinc/54/58/69/555545869.db2.gz ACSMRIJWULSQOF-UHFFFAOYSA-N 0 0 462.318 5.344 40 0 JKABRN COCc1nn2c(ncc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013638453 555545894 /nfs/dbraw/zinc/54/58/94/555545894.db2.gz KBCXULZKKMCOIC-NRFANRHFSA-N 0 0 485.584 5.596 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccc(NC(C)=O)cc1 ZINC000019929370 555546084 /nfs/dbraw/zinc/54/60/84/555546084.db2.gz ADXHCRUULBDYLB-UHFFFAOYSA-N 0 0 489.388 5.573 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1cc(Cl)ccc1OC ZINC000019929386 555546591 /nfs/dbraw/zinc/54/65/91/555546591.db2.gz NQVQHCMMMSJJIW-UHFFFAOYSA-N 0 0 462.362 5.623 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)nnc1-c1cccc(NC(C)=O)c1 ZINC000019929499 555546950 /nfs/dbraw/zinc/54/69/50/555546950.db2.gz PZENGAAHGYNNQY-UHFFFAOYSA-N 0 0 476.606 5.563 40 0 JKABRN CCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930315 555547468 /nfs/dbraw/zinc/54/74/68/555547468.db2.gz YFSIGMMJGSHVJE-UHFFFAOYSA-N 0 0 491.034 5.149 40 0 JKABRN CCOc1ccccc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000019931937 555549318 /nfs/dbraw/zinc/54/93/18/555549318.db2.gz FKSHLHSMKFLYLH-XMMPIXPASA-N 0 0 480.630 5.184 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Br)c(Cl)c2)cc1 ZINC000019932917 555550323 /nfs/dbraw/zinc/55/03/23/555550323.db2.gz DDANJRRYFVQANA-UHFFFAOYSA-N 0 0 479.783 5.464 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)cc1 ZINC000019933146 555550661 /nfs/dbraw/zinc/55/06/61/555550661.db2.gz KBHDUOGBSDPISQ-SFHVURJKSA-N 0 0 468.575 5.025 40 0 JKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000019933482 555550683 /nfs/dbraw/zinc/55/06/83/555550683.db2.gz STUZAXZSOFZXPM-UHFFFAOYSA-N 0 0 457.620 7.261 40 0 JKABRN C[C@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013646304 555550864 /nfs/dbraw/zinc/55/08/64/555550864.db2.gz UGMYGRQOOBBLAN-AWEZNQCLSA-N 0 0 490.975 5.300 40 0 JKABRN C[C@@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013646302 555550881 /nfs/dbraw/zinc/55/08/81/555550881.db2.gz UGMYGRQOOBBLAN-CQSZACIVSA-N 0 0 490.975 5.300 40 0 JKABRN O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(I)cc1 ZINC000013647080 555551445 /nfs/dbraw/zinc/55/14/45/555551445.db2.gz UVDHYCZDYHBZHZ-UHFFFAOYSA-N 0 0 479.770 6.489 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2C)cc1 ZINC000013647399 555551596 /nfs/dbraw/zinc/55/15/96/555551596.db2.gz RCQMYXVPQVPYOT-JOCHJYFZSA-N 0 0 478.658 5.674 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 ZINC000013647492 555551638 /nfs/dbraw/zinc/55/16/38/555551638.db2.gz SPJBATBKWHMKFH-AREMUKBSSA-N 0 0 474.582 5.198 40 0 JKABRN CCN(c1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000013648660 555552932 /nfs/dbraw/zinc/55/29/32/555552932.db2.gz OXNFZTGECARHCV-GOSISDBHSA-N 0 0 466.628 5.215 40 0 JKABRN COc1ccc([C@H](CC(=O)Nc2ccc(C(C)C)cc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935919 555553108 /nfs/dbraw/zinc/55/31/08/555553108.db2.gz DDDOUSCLCSCPGW-VWLOTQADSA-N 0 0 466.603 5.209 40 0 JKABRN COc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2Cl)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935977 555553487 /nfs/dbraw/zinc/55/34/87/555553487.db2.gz BAKXAWVMFLINDY-OAQYLSRUSA-N 0 0 493.412 5.393 40 0 JKABRN COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935993 555553528 /nfs/dbraw/zinc/55/35/28/555553528.db2.gz SNCGFTSBYSTSAY-JOCHJYFZSA-N 0 0 493.412 5.393 40 0 JKABRN Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 ZINC000013649288 555553542 /nfs/dbraw/zinc/55/35/42/555553542.db2.gz FFWOGGDTGNZBOO-UHFFFAOYSA-N 0 0 450.604 5.084 40 0 JKABRN COc1ccc([C@@H](CC(=O)Nc2cc(Cl)ccc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935969 555553567 /nfs/dbraw/zinc/55/35/67/555553567.db2.gz BDBDINWQUXUGJZ-HSZRJFAPSA-N 0 0 472.994 5.048 40 0 JKABRN C[C@H](NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013649496 555553714 /nfs/dbraw/zinc/55/37/14/555553714.db2.gz VUNXMUIREARSPA-FQEVSTJZSA-N 0 0 464.631 5.441 40 0 JKABRN CCOc1ccccc1CCCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000013649864 555554051 /nfs/dbraw/zinc/55/40/51/555554051.db2.gz ORFYHRDXMBUPSC-GDLZYMKVSA-N 0 0 488.653 5.265 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2)S(C)(=O)=O)c1 ZINC000013649808 555554105 /nfs/dbraw/zinc/55/41/05/555554105.db2.gz NWFJBCJEONHUKO-NRFANRHFSA-N 0 0 478.658 5.750 40 0 JKABRN CN(c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937837 555554625 /nfs/dbraw/zinc/55/46/25/555554625.db2.gz IGZSLWAWZMMYRU-UHFFFAOYSA-N 0 0 498.910 5.201 40 0 JKABRN CN(c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000019937830 555554633 /nfs/dbraw/zinc/55/46/33/555554633.db2.gz TXNNLBPEBLBZRB-UHFFFAOYSA-N 0 0 499.803 5.489 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000019937942 555554888 /nfs/dbraw/zinc/55/48/88/555554888.db2.gz IFXSXGHROVKGGQ-UHFFFAOYSA-N 0 0 466.603 5.351 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000019937909 555554891 /nfs/dbraw/zinc/55/48/91/555554891.db2.gz FRBFECQDFFTWLY-UHFFFAOYSA-N 0 0 479.385 5.226 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 ZINC000019937979 555555129 /nfs/dbraw/zinc/55/51/29/555555129.db2.gz FQHUUDFEMMNOJD-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013667729 555556795 /nfs/dbraw/zinc/55/67/95/555556795.db2.gz VXEGHXFZRDCBKB-LJQANCHMSA-N 0 0 450.604 5.300 40 0 JKABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013668196 555557186 /nfs/dbraw/zinc/55/71/86/555557186.db2.gz PKNCYPJUWLEDOG-MRXNPFEDSA-N 0 0 475.397 5.167 40 0 JKABRN Cc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013668440 555557400 /nfs/dbraw/zinc/55/74/00/555557400.db2.gz SYAQMCCIVKBSNF-UHFFFAOYSA-N 0 0 485.049 5.210 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2Cl)cc1 ZINC000013668451 555557413 /nfs/dbraw/zinc/55/74/13/555557413.db2.gz AQZUEPVOZYKANM-FQEVSTJZSA-N 0 0 499.076 6.019 40 0 JKABRN CCOc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013668588 555557785 /nfs/dbraw/zinc/55/77/85/555557785.db2.gz FVIBMQCSHCECCR-UHFFFAOYSA-N 0 0 492.519 5.247 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccc(C)c(Cl)c2)cc1 ZINC000013668840 555558155 /nfs/dbraw/zinc/55/81/55/555558155.db2.gz FVJLKUZBPWJMQC-UHFFFAOYSA-N 0 0 469.006 5.132 40 0 JKABRN CCOc1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013668921 555558380 /nfs/dbraw/zinc/55/83/80/555558380.db2.gz RBIINOPFZLOLFZ-UHFFFAOYSA-N 0 0 472.994 5.190 40 0 JKABRN C[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013668997 555558383 /nfs/dbraw/zinc/55/83/83/555558383.db2.gz SIWGYZFVODJPAZ-IBGZPJMESA-N 0 0 450.604 5.300 40 0 JKABRN CCOc1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013668968 555558407 /nfs/dbraw/zinc/55/84/07/555558407.db2.gz JAIXLJFTSMRQFE-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN Cc1ccc(CN(c2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2)S(C)(=O)=O)cc1 ZINC000013669045 555558413 /nfs/dbraw/zinc/55/84/13/555558413.db2.gz HDHJNGOYRGXDBR-OAQYLSRUSA-N 0 0 478.658 5.750 40 0 JKABRN CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000013669651 555559560 /nfs/dbraw/zinc/55/95/60/555559560.db2.gz PEXQFFZCIKYJQV-UHFFFAOYSA-N 0 0 480.630 5.174 40 0 JKABRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000013669665 555559592 /nfs/dbraw/zinc/55/95/92/555559592.db2.gz BWNMAOLUZUYESE-KRWDZBQOSA-N 0 0 463.043 5.303 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013669807 555559890 /nfs/dbraw/zinc/55/98/90/555559890.db2.gz IQTQGWCHNLBMSR-CQSZACIVSA-N 0 0 490.975 5.300 40 0 JKABRN O=C(c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 ZINC000013670712 555561737 /nfs/dbraw/zinc/56/17/37/555561737.db2.gz WTUWMZFQKMTKPX-UHFFFAOYSA-N 0 0 482.605 5.675 40 0 JKABRN Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000013670951 555562061 /nfs/dbraw/zinc/56/20/61/555562061.db2.gz LJKUOYOZRHOKHI-UHFFFAOYSA-N 0 0 450.604 5.084 40 0 JKABRN COc1cc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(OC)cc1Cl ZINC000009876784 555562080 /nfs/dbraw/zinc/56/20/80/555562080.db2.gz IRJLDAHYUWBYEP-UHFFFAOYSA-N 0 0 460.814 5.183 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019946386 555563023 /nfs/dbraw/zinc/56/30/23/555563023.db2.gz MXCSZDDDCJFOHP-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000019946118 555563039 /nfs/dbraw/zinc/56/30/39/555563039.db2.gz BXQZNZDABPUTLT-UHFFFAOYSA-N 0 0 458.539 5.313 40 0 JKABRN COc1ccc(OCC(=O)NC(=S)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1 ZINC000009892796 555563267 /nfs/dbraw/zinc/56/32/67/555563267.db2.gz DDKYNVROJKWYCM-UHFFFAOYSA-N 0 0 483.549 5.549 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c(C)c1 ZINC000013671454 555563223 /nfs/dbraw/zinc/56/32/23/555563223.db2.gz OUAPCVJEIVIURY-MHZLTWQESA-N 0 0 488.609 5.241 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013672065 555563476 /nfs/dbraw/zinc/56/34/76/555563476.db2.gz ZFEIOJNLAYWHFX-HXUWFJFHSA-N 0 0 450.604 5.057 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C)c(C)c2)cc1 ZINC000019947077 555563492 /nfs/dbraw/zinc/56/34/92/555563492.db2.gz FLDHNOMJPIUSAR-UHFFFAOYSA-N 0 0 476.520 5.465 40 0 JKABRN Cc1ccc(CCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013672034 555563575 /nfs/dbraw/zinc/56/35/75/555563575.db2.gz RAFTUXMVNXRDNI-UHFFFAOYSA-N 0 0 478.658 5.371 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000013672768 555564303 /nfs/dbraw/zinc/56/43/03/555564303.db2.gz KIRRXIYVXXARKK-NRFANRHFSA-N 0 0 478.658 6.201 40 0 JKABRN COc1ccccc1N1CCN(c2nc3c(c(Nc4ccc(Cl)cc4)n2)C(=O)CC(C)(C)C3)CC1 ZINC000009937680 555564652 /nfs/dbraw/zinc/56/46/52/555564652.db2.gz RSXOZZNNJAQDEP-UHFFFAOYSA-N 0 0 492.023 5.364 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000009925243 555564676 /nfs/dbraw/zinc/56/46/76/555564676.db2.gz CQFZAFGABVDJJB-UHFFFAOYSA-N 0 0 486.384 5.376 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1Cl ZINC000013673710 555565104 /nfs/dbraw/zinc/56/51/04/555565104.db2.gz MONJBZQZRSPCAF-UHFFFAOYSA-N 0 0 454.400 6.095 40 0 JKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000013673937 555565516 /nfs/dbraw/zinc/56/55/16/555565516.db2.gz AYWRZWUCMZIEFY-INIZCTEOSA-N 0 0 489.424 5.551 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000013674971 555566060 /nfs/dbraw/zinc/56/60/60/555566060.db2.gz RQNFLMIYNCYHHB-IBGZPJMESA-N 0 0 498.620 5.205 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000013676442 555567179 /nfs/dbraw/zinc/56/71/79/555567179.db2.gz HNZMGKGMKMWKCZ-HXUWFJFHSA-N 0 0 464.631 5.609 40 0 JKABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N(C)c2ccccc2)cc1 ZINC000013676653 555567509 /nfs/dbraw/zinc/56/75/09/555567509.db2.gz TZRVTBHFCFDZRH-UHFFFAOYSA-N 0 0 486.593 5.367 40 0 JKABRN CN(c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)S(=O)(=O)c1cccs1 ZINC000013677062 555567754 /nfs/dbraw/zinc/56/77/54/555567754.db2.gz OHDYCLJKSTYQLX-UHFFFAOYSA-N 0 0 464.568 5.618 40 0 JKABRN O=C(Nc1c(Cl)cccc1Cl)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013676938 555567760 /nfs/dbraw/zinc/56/77/60/555567760.db2.gz FEIJCCZCJCYFTL-LBPRGKRZSA-N 0 0 496.243 5.481 40 0 JKABRN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013677042 555567855 /nfs/dbraw/zinc/56/78/55/555567855.db2.gz XMJOPZIAQHPILV-ZDUSSCGKSA-N 0 0 495.350 5.193 40 0 JKABRN CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013677670 555568661 /nfs/dbraw/zinc/56/86/61/555568661.db2.gz BYFIWQVTHQFTEK-UHFFFAOYSA-N 0 0 469.434 5.297 40 0 JKABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C ZINC000013677890 555568855 /nfs/dbraw/zinc/56/88/55/555568855.db2.gz PCZMVKFRWUQPSX-UHFFFAOYSA-N 0 0 463.386 5.592 40 0 JKABRN CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013678217 555569380 /nfs/dbraw/zinc/56/93/80/555569380.db2.gz DHDNDUQTTRAKBD-MRXNPFEDSA-N 0 0 469.434 5.297 40 0 JKABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013678445 555569646 /nfs/dbraw/zinc/56/96/46/555569646.db2.gz WGLHRECWFBQIOJ-UHFFFAOYSA-N 0 0 496.243 5.481 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)c(C)c3)ccc21 ZINC000013679757 555571585 /nfs/dbraw/zinc/57/15/85/555571585.db2.gz VXJUEPAATNLBGU-UHFFFAOYSA-N 0 0 497.620 6.484 40 0 JKABRN O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013679885 555571905 /nfs/dbraw/zinc/57/19/05/555571905.db2.gz DWGQYORQQNCBMN-SFHVURJKSA-N 0 0 477.413 5.327 40 0 JKABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000013680288 555572600 /nfs/dbraw/zinc/57/26/00/555572600.db2.gz KMJWYXGKCGZKJX-UHFFFAOYSA-N 0 0 475.825 5.136 40 0 JKABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C ZINC000013680678 555573204 /nfs/dbraw/zinc/57/32/04/555573204.db2.gz TXAMZMJYJHHXNL-UHFFFAOYSA-N 0 0 496.938 5.958 40 0 JKABRN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000013680651 555573213 /nfs/dbraw/zinc/57/32/13/555573213.db2.gz ZVYTWDUCDKWBQW-OAHLLOKOSA-N 0 0 475.825 5.136 40 0 JKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013680582 555573290 /nfs/dbraw/zinc/57/32/90/555573290.db2.gz IQYMKLZSWWMXDO-FQEVSTJZSA-N 0 0 497.787 5.242 40 0 JKABRN O=C(C[C@H]1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019962072 555573314 /nfs/dbraw/zinc/57/33/14/555573314.db2.gz IQGGXIHAHHOARO-QFIPXVFZSA-N 0 0 482.506 5.862 40 0 JKABRN COc1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c(OC)c1OC ZINC000009973453 555574063 /nfs/dbraw/zinc/57/40/63/555574063.db2.gz APVIBZKQNCRSQC-RMKNXTFCSA-N 0 0 456.391 5.082 40 0 JKABRN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013681695 555574954 /nfs/dbraw/zinc/57/49/54/555574954.db2.gz AGERRXUDTFSLKR-UHFFFAOYSA-N 0 0 483.461 5.299 40 0 JKABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)cc2c1 ZINC000019972966 555575036 /nfs/dbraw/zinc/57/50/36/555575036.db2.gz DSLFJEAEPPKFES-AREMUKBSSA-N 0 0 496.615 5.217 40 0 JKABRN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013682379 555575795 /nfs/dbraw/zinc/57/57/95/555575795.db2.gz PRYCGJOAANOLRD-UHFFFAOYSA-N 0 0 477.413 5.327 40 0 JKABRN CCOc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccccc1)sc1c2CCCC1 ZINC000019996402 555576967 /nfs/dbraw/zinc/57/69/67/555576967.db2.gz PSSZSBQUSGKIOS-UHFFFAOYSA-N 0 0 459.571 5.041 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013683574 555577287 /nfs/dbraw/zinc/57/72/87/555577287.db2.gz XLULDDQGXGJFGV-OAHLLOKOSA-N 0 0 475.825 5.136 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013683577 555577309 /nfs/dbraw/zinc/57/73/09/555577309.db2.gz XLULDDQGXGJFGV-HNNXBMFYSA-N 0 0 475.825 5.136 40 0 JKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013683362 555577332 /nfs/dbraw/zinc/57/73/32/555577332.db2.gz HGUXFTITEATWDM-HXUWFJFHSA-N 0 0 497.787 5.242 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc(C)c1Br ZINC000013683717 555577550 /nfs/dbraw/zinc/57/75/50/555577550.db2.gz UDRTXWUPIIHDIX-SFHVURJKSA-N 0 0 481.390 5.574 40 0 JKABRN CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020004413 555577673 /nfs/dbraw/zinc/57/76/73/555577673.db2.gz JFCHPQHBOVGHCI-XMMPIXPASA-N 0 0 464.631 5.011 40 0 JKABRN O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1C(=O)NCc1ccco1 ZINC000013684101 555577863 /nfs/dbraw/zinc/57/78/63/555577863.db2.gz PVISXQYHKDBMNT-UHFFFAOYSA-N 0 0 479.330 5.143 40 0 JKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(Br)c1 ZINC000013683954 555577926 /nfs/dbraw/zinc/57/79/26/555577926.db2.gz WJYYHVRYAUBCOB-UHFFFAOYSA-N 0 0 487.438 5.827 40 0 JKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(Br)c1 ZINC000013683959 555577962 /nfs/dbraw/zinc/57/79/62/555577962.db2.gz FKRMUWUPTIBCQU-UHFFFAOYSA-N 0 0 495.417 5.694 40 0 JKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013684330 555578259 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ZINC000020041934 555613998 /nfs/dbraw/zinc/61/39/98/555613998.db2.gz RPRCEBULJFEPJB-XMMPIXPASA-N 0 0 468.644 5.180 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000020041213 555614014 /nfs/dbraw/zinc/61/40/14/555614014.db2.gz RLWWBKYBJBTIHL-QHCPKHFHSA-N 0 0 471.022 5.420 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000020042210 555614319 /nfs/dbraw/zinc/61/43/19/555614319.db2.gz TXQPBPMXRKYTBF-RUZDIDTESA-N 0 0 450.604 5.151 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000020042219 555614400 /nfs/dbraw/zinc/61/44/00/555614400.db2.gz NICRNLLSOIUFMJ-LJQANCHMSA-N 0 0 452.576 5.325 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020043140 555614781 /nfs/dbraw/zinc/61/47/81/555614781.db2.gz WJDGNDODBXHXNM-KRWDZBQOSA-N 0 0 472.994 5.339 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(Br)c3)c2)cc1 ZINC000020042667 555614793 /nfs/dbraw/zinc/61/47/93/555614793.db2.gz YBSVSIDETPBYKS-UHFFFAOYSA-N 0 0 479.783 5.464 40 0 JKABRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020043546 555614984 /nfs/dbraw/zinc/61/49/84/555614984.db2.gz BLKMCGBCMOTVGG-UHFFFAOYSA-N 0 0 474.626 6.126 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020043581 555615005 /nfs/dbraw/zinc/61/50/05/555615005.db2.gz ZOKNXFYCMSOYKV-SANMLTNESA-N 0 0 464.631 5.581 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020043578 555615032 /nfs/dbraw/zinc/61/50/32/555615032.db2.gz ZOKNXFYCMSOYKV-AREMUKBSSA-N 0 0 464.631 5.581 40 0 JKABRN CN(C(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)C1CCCCC1 ZINC000020044152 555615331 /nfs/dbraw/zinc/61/53/31/555615331.db2.gz NMSNZTHXSAROMS-UHFFFAOYSA-N 0 0 469.434 5.364 40 0 JKABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1)c1ccc(OC)cc1 ZINC000020044083 555615340 /nfs/dbraw/zinc/61/53/40/555615340.db2.gz BZTVOATXFVCWNM-DEOSSOPVSA-N 0 0 484.643 5.123 40 0 JKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(N(CC)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1 ZINC000020044592 555615633 /nfs/dbraw/zinc/61/56/33/555615633.db2.gz PHXJUIISLYADHP-LJQANCHMSA-N 0 0 498.670 5.513 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2C)c1 ZINC000020045327 555616204 /nfs/dbraw/zinc/61/62/04/555616204.db2.gz TYDMMEQYCKIAKJ-UHFFFAOYSA-N 0 0 466.603 5.130 40 0 JKABRN CC(C)C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000020045646 555616264 /nfs/dbraw/zinc/61/62/64/555616264.db2.gz WVDKTKNPCMATPJ-LSYYVWMOSA-N 0 0 493.072 6.631 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000020045740 555616609 /nfs/dbraw/zinc/61/66/09/555616609.db2.gz HIFDGLSKHXIMCH-XMMPIXPASA-N 0 0 487.021 5.120 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000020045743 555616623 /nfs/dbraw/zinc/61/66/23/555616623.db2.gz HIFDGLSKHXIMCH-DEOSSOPVSA-N 0 0 487.021 5.120 40 0 JKABRN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000013776678 555616696 /nfs/dbraw/zinc/61/66/96/555616696.db2.gz VVNRXHLRZKJTDX-VEXUSMLFSA-N 0 0 463.405 5.309 40 0 JKABRN CCOc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020046426 555616830 /nfs/dbraw/zinc/61/68/30/555616830.db2.gz CGHNQECDYHOOFW-UHFFFAOYSA-N 0 0 487.021 5.211 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000020046145 555616886 /nfs/dbraw/zinc/61/68/86/555616886.db2.gz PMWYDIFZVFHAHR-UHFFFAOYSA-N 0 0 477.413 5.465 40 0 JKABRN CCOc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)N(c3ccccc3)O[C@@H]2C1=O ZINC000013777113 555617140 /nfs/dbraw/zinc/61/71/40/555617140.db2.gz ILMPGOMHZRFJFW-VJBWXMMDSA-N 0 0 483.351 5.443 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020046686 555617235 /nfs/dbraw/zinc/61/72/35/555617235.db2.gz DFQMAPQHEFITTM-QGZVFWFLSA-N 0 0 477.413 5.375 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c(Cl)c1 ZINC000020047648 555617839 /nfs/dbraw/zinc/61/78/39/555617839.db2.gz DVYINDQSCRTXSH-UHFFFAOYSA-N 0 0 486.977 5.187 40 0 JKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000020048021 555617918 /nfs/dbraw/zinc/61/79/18/555617918.db2.gz ABWJTHMVUJJRHD-XMMPIXPASA-N 0 0 487.021 5.862 40 0 JKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)c1C ZINC000020048029 555618227 /nfs/dbraw/zinc/61/82/27/555618227.db2.gz RYCBBWVRIYLFIL-SFHVURJKSA-N 0 0 472.994 5.472 40 0 JKABRN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020048765 555618388 /nfs/dbraw/zinc/61/83/88/555618388.db2.gz YUYPNPOHAPOXGG-GDLZYMKVSA-N 0 0 496.632 5.890 40 0 JKABRN COc1cccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020049653 555619054 /nfs/dbraw/zinc/61/90/54/555619054.db2.gz SZPPXQFARMQRHP-AREMUKBSSA-N 0 0 480.630 5.103 40 0 JKABRN Cc1ccc(C)c(N(CCCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 ZINC000020049702 555619143 /nfs/dbraw/zinc/61/91/43/555619143.db2.gz DIHKMOLLNZYLCY-MHZLTWQESA-N 0 0 464.631 5.064 40 0 JKABRN CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020050006 555619438 /nfs/dbraw/zinc/61/94/38/555619438.db2.gz VVHLAFSLANFZHA-UHFFFAOYSA-N 0 0 464.587 5.229 40 0 JKABRN Cc1ccccc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020050350 555619637 /nfs/dbraw/zinc/61/96/37/555619637.db2.gz QUIGEPLAOUXHNJ-QHCPKHFHSA-N 0 0 469.006 5.038 40 0 JKABRN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000020050815 555620020 /nfs/dbraw/zinc/62/00/20/555620020.db2.gz VUZWZGHMBCFROI-OAHLLOKOSA-N 0 0 479.385 5.509 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(SC)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013788094 555620130 /nfs/dbraw/zinc/62/01/30/555620130.db2.gz MBIOULGFXPJTOP-DSITVLBTSA-N 0 0 474.582 5.248 40 0 JKABRN CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C1=O ZINC000013788141 555620151 /nfs/dbraw/zinc/62/01/51/555620151.db2.gz CICFCRFDQMHNBT-VABKMULXSA-N 0 0 498.457 5.035 40 0 JKABRN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCC[C@@H]4C)c(Cl)c3N2)cc1OC ZINC000013799824 555620715 /nfs/dbraw/zinc/62/07/15/555620715.db2.gz QHTNLADZSCJLBC-DXCKQFNASA-N 0 0 486.922 5.229 40 0 JKABRN C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111767 555622828 /nfs/dbraw/zinc/62/28/28/555622828.db2.gz SCVLISXUOTUMAI-WTYVLRPYSA-N 0 0 472.654 6.249 40 0 JKABRN C[C@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111807 555623126 /nfs/dbraw/zinc/62/31/26/555623126.db2.gz IRVGCOQDFBYEEW-IBGZPJMESA-N 0 0 485.049 5.710 40 0 JKABRN C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111770 555623131 /nfs/dbraw/zinc/62/31/31/555623131.db2.gz SCVLISXUOTUMAI-NGOKVRLYSA-N 0 0 472.654 6.249 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111810 555623162 /nfs/dbraw/zinc/62/31/62/555623162.db2.gz CDWALXMJGPFJMT-LJQANCHMSA-N 0 0 485.049 5.710 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000010111829 555623166 /nfs/dbraw/zinc/62/31/66/555623166.db2.gz OIUMEQIUJYJVBW-FQEVSTJZSA-N 0 0 499.076 6.019 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010111841 555623577 /nfs/dbraw/zinc/62/35/77/555623577.db2.gz YXKPLGBBAGJIFT-QFIPXVFZSA-N 0 0 478.658 5.674 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010111850 555623606 /nfs/dbraw/zinc/62/36/06/555623606.db2.gz WPVSLHVIDLGPOE-JOCHJYFZSA-N 0 0 492.685 5.928 40 0 JKABRN C[C@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010111885 555623632 /nfs/dbraw/zinc/62/36/32/555623632.db2.gz ZQCYWJUEAIUQCJ-FQEVSTJZSA-N 0 0 480.630 5.420 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2cccc(C)c2)c2ccc(C)cc2C)cc1 ZINC000020061034 555623663 /nfs/dbraw/zinc/62/36/63/555623663.db2.gz UJPMSZNGHAHFPI-UHFFFAOYSA-N 0 0 496.698 5.165 40 0 JKABRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000020060929 555623682 /nfs/dbraw/zinc/62/36/82/555623682.db2.gz MRCAYQKRTLMGTD-KPKJPENVSA-N 0 0 492.340 5.354 40 0 JKABRN Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000020061020 555623698 /nfs/dbraw/zinc/62/36/98/555623698.db2.gz RSQYSHPWUABSOR-UHFFFAOYSA-N 0 0 495.453 5.975 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1C ZINC000010111991 555623862 /nfs/dbraw/zinc/62/38/62/555623862.db2.gz ASRNWZPZMLOONP-FQEVSTJZSA-N 0 0 464.631 5.893 40 0 JKABRN C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111944 555623874 /nfs/dbraw/zinc/62/38/74/555623874.db2.gz BMBYDQCIVXWKTQ-ONOMSOESSA-N 0 0 486.681 6.292 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2Cl)cc1 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CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000013871287 555637645 /nfs/dbraw/zinc/63/76/45/555637645.db2.gz WNWOITKDCHAWSZ-CYBMUJFWSA-N 0 0 465.406 5.555 40 0 JKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2CC)cc1 ZINC000013871473 555637649 /nfs/dbraw/zinc/63/76/49/555637649.db2.gz NEDTUJBXPBRYFM-QGZVFWFLSA-N 0 0 493.658 5.855 40 0 JKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2CC)cc1 ZINC000013871532 555637680 /nfs/dbraw/zinc/63/76/80/555637680.db2.gz DNGISFBZKCERBD-AWEZNQCLSA-N 0 0 479.433 6.038 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(CC)cc3)n2CC)cc1 ZINC000013871580 555637688 /nfs/dbraw/zinc/63/76/88/555637688.db2.gz SKCXQALJSDONEJ-QGZVFWFLSA-N 0 0 454.596 5.130 40 0 JKABRN C[C@@H]1C[C@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000010153311 555637869 /nfs/dbraw/zinc/63/78/69/555637869.db2.gz CKYKYQSZDSIEFH-HXOBKFHXSA-N 0 0 454.979 5.286 40 0 JKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 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Cc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)n2C)cc1 ZINC000014082198 555681774 /nfs/dbraw/zinc/68/17/74/555681774.db2.gz FCMGQEUSJIPHSD-UHFFFAOYSA-N 0 0 455.996 5.298 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1 ZINC000010315171 555681915 /nfs/dbraw/zinc/68/19/15/555681915.db2.gz NLJXPUCQEWNLAQ-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 ZINC000014083113 555682041 /nfs/dbraw/zinc/68/20/41/555682041.db2.gz IYWDXJZQXCNIMB-UHFFFAOYSA-N 0 0 471.797 5.665 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Br)c(Cl)c3)ccc2C)cc1 ZINC000010315324 555682324 /nfs/dbraw/zinc/68/23/24/555682324.db2.gz XXGSMTKKKLOWJC-UHFFFAOYSA-N 0 0 493.810 5.772 40 0 JKABRN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000010324650 555683660 /nfs/dbraw/zinc/68/36/60/555683660.db2.gz OOYJAJSKSBFRKO-UHFFFAOYSA-N 0 0 463.386 5.674 40 0 JKABRN C[C@@H]1Cc2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010324944 555683684 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5.063 40 0 JKABRN Cc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1Cl ZINC000010331329 555688075 /nfs/dbraw/zinc/68/80/75/555688075.db2.gz KVFOFGLGMUKFFB-UHFFFAOYSA-N 0 0 497.831 6.174 40 0 JKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000010331637 555688080 /nfs/dbraw/zinc/68/80/80/555688080.db2.gz KIJGLSIFONJESH-UHFFFAOYSA-N 0 0 485.049 6.318 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SCc3ccccc3)cc2)cc1 ZINC000010332062 555688266 /nfs/dbraw/zinc/68/82/66/555688266.db2.gz LMPOTZFMLVSYTA-UHFFFAOYSA-N 0 0 488.634 6.340 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2C)cc1 ZINC000010332113 555688300 /nfs/dbraw/zinc/68/83/00/555688300.db2.gz FXJYJFGWLLYRKH-UHFFFAOYSA-N 0 0 475.035 5.280 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000010332367 555688316 /nfs/dbraw/zinc/68/83/16/555688316.db2.gz WPENKAHDWUVGDR-UHFFFAOYSA-N 0 0 463.386 5.520 40 0 JKABRN Cc1cc(C(=O)NCCSCc2c(F)cccc2Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000010332346 555688338 /nfs/dbraw/zinc/68/83/38/555688338.db2.gz PKNGOVRWGOUWJP-UHFFFAOYSA-N 0 0 493.025 5.252 40 0 JKABRN Cc1cc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)ccc1Br ZINC000010333563 555689174 /nfs/dbraw/zinc/68/91/74/555689174.db2.gz KPXWAQQTYIMXRG-UHFFFAOYSA-N 0 0 491.382 5.115 40 0 JKABRN Cc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000010335471 555690421 /nfs/dbraw/zinc/69/04/21/555690421.db2.gz UXJIVKUCPNZNGD-UHFFFAOYSA-N 0 0 475.035 5.112 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)cc1Cl ZINC000010336318 555691272 /nfs/dbraw/zinc/69/12/72/555691272.db2.gz UPPDLZMHTAOPHU-UHFFFAOYSA-N 0 0 471.022 6.144 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Br)cc3F)ccc2C)cc1 ZINC000010336491 555691500 /nfs/dbraw/zinc/69/15/00/555691500.db2.gz GNUKQDKLJKYSCN-UHFFFAOYSA-N 0 0 477.355 5.258 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 ZINC000010336869 555691514 /nfs/dbraw/zinc/69/15/14/555691514.db2.gz RSURETKRCXZNCO-UHFFFAOYSA-N 0 0 471.022 6.144 40 0 JKABRN CC(C)(C)SCCNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010337108 555691523 /nfs/dbraw/zinc/69/15/23/555691523.db2.gz OHGCXHMUNSTADX-UHFFFAOYSA-N 0 0 489.490 5.221 40 0 JKABRN Cc1ccc(C)c(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1 ZINC000010337263 555691736 /nfs/dbraw/zinc/69/17/36/555691736.db2.gz MKQQCKXCLHSGCQ-UHFFFAOYSA-N 0 0 477.413 5.829 40 0 JKABRN CCc1cccc(CC)c1NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000010337435 555691830 /nfs/dbraw/zinc/69/18/30/555691830.db2.gz BNCBRTGBMMYJDE-UHFFFAOYSA-N 0 0 450.604 5.338 40 0 JKABRN Cc1ccc(N(CCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S(C)(=O)=O)cc1C ZINC000010337930 555692327 /nfs/dbraw/zinc/69/23/27/555692327.db2.gz VPTAPYGOJPVZDZ-UHFFFAOYSA-N 0 0 499.032 5.373 40 0 JKABRN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)c1 ZINC000014117100 555692480 /nfs/dbraw/zinc/69/24/80/555692480.db2.gz HPXHSIYAJRJJPJ-UHFFFAOYSA-N 0 0 451.379 5.049 40 0 JKABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000010338025 555692658 /nfs/dbraw/zinc/69/26/58/555692658.db2.gz MUXYAXCECOMOSW-UHFFFAOYSA-N 0 0 483.804 5.865 40 0 JKABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014117468 555692743 /nfs/dbraw/zinc/69/27/43/555692743.db2.gz XKEGJVKMASKOEJ-UHFFFAOYSA-N 0 0 465.406 5.531 40 0 JKABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000014117464 555692757 /nfs/dbraw/zinc/69/27/57/555692757.db2.gz KXTCCXZEWDKYHO-UHFFFAOYSA-N 0 0 465.406 5.531 40 0 JKABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000014121436 555694509 /nfs/dbraw/zinc/69/45/09/555694509.db2.gz NHJKMVPQOWPVSR-UHFFFAOYSA-N 0 0 451.379 5.223 40 0 JKABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000014121330 555694536 /nfs/dbraw/zinc/69/45/36/555694536.db2.gz WWABPRIRTXJJFV-UHFFFAOYSA-N 0 0 479.631 5.348 40 0 JKABRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)cc1Br ZINC000020195574 555695522 /nfs/dbraw/zinc/69/55/22/555695522.db2.gz LCYSCQODNWFDLR-UHFFFAOYSA-N 0 0 472.195 5.580 40 0 JKABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000010358886 555696161 /nfs/dbraw/zinc/69/61/61/555696161.db2.gz SDMFPOVMFSEBKN-UHFFFAOYSA-N 0 0 484.232 5.794 40 0 JKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000010359012 555696182 /nfs/dbraw/zinc/69/61/82/555696182.db2.gz YJWSANDCOGIBHZ-UHFFFAOYSA-N 0 0 471.022 6.010 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000010360163 555696367 /nfs/dbraw/zinc/69/63/67/555696367.db2.gz OYGUDMWAFZYIMM-UHFFFAOYSA-N 0 0 496.938 5.886 40 0 JKABRN Cc1ccc(Cl)cc1N(CCCC(=O)N(Cc1ccccc1)Cc1ccccc1)S(C)(=O)=O ZINC000010359724 555696422 /nfs/dbraw/zinc/69/64/22/555696422.db2.gz YKARJISBZCWPSM-UHFFFAOYSA-N 0 0 485.049 5.424 40 0 JKABRN CSc1cccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000010359925 555696482 /nfs/dbraw/zinc/69/64/82/555696482.db2.gz DCIVWMPILDIKQM-UHFFFAOYSA-N 0 0 495.453 5.934 40 0 JKABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)c1C ZINC000014126253 555696810 /nfs/dbraw/zinc/69/68/10/555696810.db2.gz CYKUXKPNSPEYMZ-UHFFFAOYSA-N 0 0 451.379 5.049 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000010360388 555696817 /nfs/dbraw/zinc/69/68/17/555696817.db2.gz QJVQAXHDQOXJNN-UHFFFAOYSA-N 0 0 458.539 5.840 40 0 JKABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000014126517 555697034 /nfs/dbraw/zinc/69/70/34/555697034.db2.gz ZCIPKHQMAFUPHY-UHFFFAOYSA-N 0 0 465.406 5.531 40 0 JKABRN Cc1ccc(N(CCCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1C ZINC000010363717 555697284 /nfs/dbraw/zinc/69/72/84/555697284.db2.gz MZLAQAUXVCZJDG-UHFFFAOYSA-N 0 0 463.814 5.449 40 0 JKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000010363729 555697299 /nfs/dbraw/zinc/69/72/99/555697299.db2.gz YUMWLWBOZWMVNG-UHFFFAOYSA-N 0 0 488.634 6.340 40 0 JKABRN Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010363134 555697308 /nfs/dbraw/zinc/69/73/08/555697308.db2.gz HSZXIUXCQAJBBS-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000010366411 555698161 /nfs/dbraw/zinc/69/81/61/555698161.db2.gz CUHNZILXDIFGHE-UHFFFAOYSA-N 0 0 488.584 5.311 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)S(C)(=O)=O)c1 ZINC000010366368 555698219 /nfs/dbraw/zinc/69/82/19/555698219.db2.gz YQCMUNAJPZCMMB-UHFFFAOYSA-N 0 0 462.493 5.232 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2C)cc1 ZINC000010368521 555698719 /nfs/dbraw/zinc/69/87/19/555698719.db2.gz IUXJABSXJJPYGY-UHFFFAOYSA-N 0 0 483.804 6.317 40 0 JKABRN CC(C)c1ccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000010368019 555698751 /nfs/dbraw/zinc/69/87/51/555698751.db2.gz VQYITEZQACTCKS-UHFFFAOYSA-N 0 0 491.440 6.335 40 0 JKABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000010368851 555698813 /nfs/dbraw/zinc/69/88/13/555698813.db2.gz HLNJQQZQRUAESU-GOSISDBHSA-N 0 0 472.994 5.021 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000010369876 555699087 /nfs/dbraw/zinc/69/90/87/555699087.db2.gz WOBNEEGUOPVOBL-UHFFFAOYSA-N 0 0 474.557 5.711 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1 ZINC000010370785 555699672 /nfs/dbraw/zinc/69/96/72/555699672.db2.gz LETMABVBUNBSDB-UHFFFAOYSA-N 0 0 486.593 5.936 40 0 JKABRN CCOc1ccccc1NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010371110 555699715 /nfs/dbraw/zinc/69/97/15/555699715.db2.gz CZNWLSFYDBHNRU-UHFFFAOYSA-N 0 0 493.412 5.611 40 0 JKABRN Cc1cccc(C)c1NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010371119 555699764 /nfs/dbraw/zinc/69/97/64/555699764.db2.gz LVXIYUNORVUHCB-UHFFFAOYSA-N 0 0 477.413 5.829 40 0 JKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132094 555700017 /nfs/dbraw/zinc/70/00/17/555700017.db2.gz CCMXKGICTSNJTD-WGOQTCKBSA-N 0 0 469.537 6.794 40 0 JKABRN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000010371529 555700013 /nfs/dbraw/zinc/70/00/13/555700013.db2.gz YGXDWONFZWAHHB-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000010371832 555700032 /nfs/dbraw/zinc/70/00/32/555700032.db2.gz PLLRWPKJZYBXHA-UHFFFAOYSA-N 0 0 481.376 5.029 40 0 JKABRN Cc1cc(C)c(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)c(C)c1 ZINC000010371550 555700040 /nfs/dbraw/zinc/70/00/40/555700040.db2.gz UTCUKQZOHISGLA-UHFFFAOYSA-N 0 0 491.440 6.137 40 0 JKABRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132169 555700048 /nfs/dbraw/zinc/70/00/48/555700048.db2.gz FKRVBMFIHZTCIN-WGOQTCKBSA-N 0 0 485.992 7.309 40 0 JKABRN Cc1cccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000010372122 555700306 /nfs/dbraw/zinc/70/03/06/555700306.db2.gz CJXQGRQEWRYGQT-UHFFFAOYSA-N 0 0 463.386 5.520 40 0 JKABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014135352 555703107 /nfs/dbraw/zinc/70/31/07/555703107.db2.gz FJQDXLKQCQVHFZ-UHFFFAOYSA-N 0 0 499.032 6.094 40 0 JKABRN Cc1cc(C)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000014135504 555703296 /nfs/dbraw/zinc/70/32/96/555703296.db2.gz UANOBCBQVJGYNJ-UHFFFAOYSA-N 0 0 456.995 5.095 40 0 JKABRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014137196 555704371 /nfs/dbraw/zinc/70/43/71/555704371.db2.gz DRBNDXNTNBUCJA-UHFFFAOYSA-N 0 0 469.838 5.777 40 0 JKABRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014137222 555704374 /nfs/dbraw/zinc/70/43/74/555704374.db2.gz FIYLGAGKALUXOS-UHFFFAOYSA-N 0 0 455.811 5.387 40 0 JKABRN CCOC(=O)c1sc(NC(=O)Cn2ccc3ccccc32)c(C(=O)Nc2ccccc2)c1C ZINC000014137348 555704624 /nfs/dbraw/zinc/70/46/24/555704624.db2.gz VAIQYIOJVZCYTG-UHFFFAOYSA-N 0 0 461.543 5.079 40 0 JKABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000010433890 555708364 /nfs/dbraw/zinc/70/83/64/555708364.db2.gz LDZOPOIBZINQBM-UHFFFAOYSA-N 0 0 499.419 6.365 40 0 JKABRN COc1ccc(N(CCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1Cl ZINC000010433837 555708379 /nfs/dbraw/zinc/70/83/79/555708379.db2.gz LQLQRJILGRYLDY-UHFFFAOYSA-N 0 0 499.338 5.206 40 0 JKABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000014152798 555708430 /nfs/dbraw/zinc/70/84/30/555708430.db2.gz ZGSVFMVFBULBJP-UHFFFAOYSA-N 0 0 472.319 6.508 40 0 JKABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(I)cc2)n1 ZINC000014152814 555708450 /nfs/dbraw/zinc/70/84/50/555708450.db2.gz DOMRTWDJGKNEDJ-UHFFFAOYSA-N 0 0 495.773 5.441 40 0 JKABRN O=C(CSc1nnc(COc2ccccc2F)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014152687 555708463 /nfs/dbraw/zinc/70/84/63/555708463.db2.gz UXRUUUFDYOMFKH-UHFFFAOYSA-N 0 0 461.824 5.191 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000010433955 555708575 /nfs/dbraw/zinc/70/85/75/555708575.db2.gz JNGMDEDLAQWPKD-UHFFFAOYSA-N 0 0 467.349 5.351 40 0 JKABRN COc1ccc(NC(=O)CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1Cl ZINC000014153151 555708795 /nfs/dbraw/zinc/70/87/95/555708795.db2.gz SWTPRNCDPNRLHD-UHFFFAOYSA-N 0 0 478.184 5.892 40 0 JKABRN Cc1ccc(NC(=O)CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1Cl ZINC000014153149 555708814 /nfs/dbraw/zinc/70/88/14/555708814.db2.gz IRENSAJXSKVFEZ-UHFFFAOYSA-N 0 0 462.185 6.192 40 0 JKABRN Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000014153273 555709043 /nfs/dbraw/zinc/70/90/43/555709043.db2.gz KAEFEFDWFNXBMA-UHFFFAOYSA-N 0 0 482.671 5.384 40 0 JKABRN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000014153282 555709056 /nfs/dbraw/zinc/70/90/56/555709056.db2.gz DNPBXRLZXYCONS-HHHXNRCGSA-N 0 0 460.599 5.149 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2C)cc1 ZINC000014153245 555709115 /nfs/dbraw/zinc/70/91/15/555709115.db2.gz VVGVIRAJPHLXAS-UHFFFAOYSA-N 0 0 475.035 5.280 40 0 JKABRN O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NC1CCCCCC1 ZINC000014153289 555709152 /nfs/dbraw/zinc/70/91/52/555709152.db2.gz XPUMMDYBFCIOSU-UHFFFAOYSA-N 0 0 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ZINC000014154122 555710876 /nfs/dbraw/zinc/71/08/76/555710876.db2.gz CWZHNSOMAIZIIM-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)c2cc(Cl)ccc2Cl)cc1 ZINC000014154314 555711243 /nfs/dbraw/zinc/71/12/43/555711243.db2.gz FYOZBYVTKGKROU-UHFFFAOYSA-N 0 0 491.440 6.061 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000014154227 555711300 /nfs/dbraw/zinc/71/13/00/555711300.db2.gz WFOFJYSRJVVVFM-JOCHJYFZSA-N 0 0 486.593 5.552 40 0 JKABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)S(C)(=O)=O)cc1 ZINC000014154499 555711912 /nfs/dbraw/zinc/71/19/12/555711912.db2.gz JDLKPPJYQJQVHO-SPUUMBSKSA-N 0 0 466.647 5.328 40 0 JKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000014154513 555711920 /nfs/dbraw/zinc/71/19/20/555711920.db2.gz GNSAYCVPOWZYBE-QFIPXVFZSA-N 0 0 480.633 7.031 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)cc1C ZINC000014155135 555713144 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COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000021673418 555855974 /nfs/dbraw/zinc/85/59/74/555855974.db2.gz FEPVAENPNNODNU-UHFFFAOYSA-N 0 0 450.951 5.327 40 0 JKABRN Oc1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)c1Cl ZINC000015015747 555856187 /nfs/dbraw/zinc/85/61/87/555856187.db2.gz SAOMKGMGZJLNKX-NRFANRHFSA-N 0 0 466.925 5.832 40 0 JKABRN CCCCSc1nnc2c(n1)O[C@@H](c1cc(C)ccc1C)Nc1ccc(Br)cc1-2 ZINC000015015762 555856244 /nfs/dbraw/zinc/85/62/44/555856244.db2.gz LGIHTOSXRXEDRP-FQEVSTJZSA-N 0 0 471.424 6.313 40 0 JKABRN CCCCCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1)Nc1ccc(Br)cc1-2 ZINC000015015971 555856486 /nfs/dbraw/zinc/85/64/86/555856486.db2.gz LLBORYGCGZBHRV-FQEVSTJZSA-N 0 0 487.423 6.095 40 0 JKABRN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2cccc4ccccc42)Nc2ccccc2-3)cc1 ZINC000015015778 555856529 /nfs/dbraw/zinc/85/65/29/555856529.db2.gz RMZYKZOPWXGBBZ-SANMLTNESA-N 0 0 462.578 6.796 40 0 JKABRN CCSc1nnc2c(n1)O[C@H](c1cc3c(cc1Cl)OCO3)Nc1ccc(Br)cc1-2 ZINC000015015797 555856532 /nfs/dbraw/zinc/85/65/32/555856532.db2.gz AMTQYSHETMOUKG-QGZVFWFLSA-N 0 0 493.770 5.298 40 0 JKABRN CCCSc1nnc2c(n1)O[C@H](c1c(C)cc(C)cc1C)Nc1ccc(Br)cc1-2 ZINC000015015840 555856535 /nfs/dbraw/zinc/85/65/35/555856535.db2.gz SOGIGOZOOODMKM-HXUWFJFHSA-N 0 0 471.424 6.232 40 0 JKABRN Oc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1Cl ZINC000015016013 555856825 /nfs/dbraw/zinc/85/68/25/555856825.db2.gz KAPYHPIPKPGEHX-OAQYLSRUSA-N 0 0 483.380 6.346 40 0 JKABRN COc1cc(/C=C2\C(=O)Nc3c2cc(Br)cc3Br)c(Cl)cc1O ZINC000015016339 555857501 /nfs/dbraw/zinc/85/75/01/555857501.db2.gz PFIAOVGTMHDEDI-SGAXSIHGSA-N 0 0 459.521 5.072 40 0 JKABRN COc1cc(/C=C2\C(=O)Nc3c2cc(Br)cc3Br)cc(Cl)c1OC ZINC000015016358 555857523 /nfs/dbraw/zinc/85/75/23/555857523.db2.gz FRSMHAYEWXIAOH-JYOAFUTRSA-N 0 0 473.548 5.375 40 0 JKABRN Cc1ccc([C@H]([C@@H](O)C(=O)c2c[nH]c3ccccc32)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000015017771 555859024 /nfs/dbraw/zinc/85/90/24/555859024.db2.gz AKCCJWJZPSTSQM-IXCJQBJRSA-N 0 0 474.004 5.237 40 0 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O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccc(Br)cc1 ZINC000022072895 555869944 /nfs/dbraw/zinc/86/99/44/555869944.db2.gz FIIJLWRKLSOQHR-UHFFFAOYSA-N 0 0 452.230 5.739 40 0 JKABRN COc1cc(CNCc2ccco2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022076331 555871203 /nfs/dbraw/zinc/87/12/03/555871203.db2.gz RSJFNCIOMNMQTP-UHFFFAOYSA-N 0 0 471.178 6.226 40 0 JKABRN CCCCn1nnnc1NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022109553 555876265 /nfs/dbraw/zinc/87/62/65/555876265.db2.gz ICHATOSWENCKBM-UHFFFAOYSA-N 0 0 480.794 5.089 40 0 JKABRN CCCCn1nnnc1NCc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000022109606 555876426 /nfs/dbraw/zinc/87/64/26/555876426.db2.gz REPLXGFPWSXQIN-UHFFFAOYSA-N 0 0 494.821 5.479 40 0 JKABRN CCCCn1nnnc1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022109610 555876462 /nfs/dbraw/zinc/87/64/62/555876462.db2.gz GJPUQIIEVGVMBQ-UHFFFAOYSA-N 0 0 485.213 5.734 40 0 JKABRN CCCCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000022109655 555876470 /nfs/dbraw/zinc/87/64/70/555876470.db2.gz 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ZINC000022110322 555877202 /nfs/dbraw/zinc/87/72/02/555877202.db2.gz UIDPIZQEOXUNLQ-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022110192 555877248 /nfs/dbraw/zinc/87/72/48/555877248.db2.gz UAPCZDFAGVFMHA-UHFFFAOYSA-N 0 0 487.412 6.246 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000022110305 555877277 /nfs/dbraw/zinc/87/72/77/555877277.db2.gz CGQVYEZXFVNOAL-UHFFFAOYSA-N 0 0 470.957 5.731 40 0 JKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022110228 555877285 /nfs/dbraw/zinc/87/72/85/555877285.db2.gz WRFJIJLVBJEKPK-UHFFFAOYSA-N 0 0 457.386 6.237 40 0 JKABRN COc1cc(CNn2c(-c3ccncc3)n[nH]c2=S)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022111028 555878248 /nfs/dbraw/zinc/87/82/48/555878248.db2.gz BUGHOZLUPFUKJG-UHFFFAOYSA-N 0 0 471.945 5.126 40 0 JKABRN CCOc1cc(CNn2c(-c3ccncc3)n[nH]c2=S)cc(Cl)c1OCc1ccccc1F ZINC000022110983 555878258 /nfs/dbraw/zinc/87/82/58/555878258.db2.gz DJNGRTYWOUGBCK-UHFFFAOYSA-N 0 0 485.972 5.517 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2OC)ccc1OCc1cccs1 ZINC000022111322 555878617 /nfs/dbraw/zinc/87/86/17/555878617.db2.gz NWNOHIVXOAZWMZ-UHFFFAOYSA-N 0 0 468.604 5.399 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000022111491 555878674 /nfs/dbraw/zinc/87/86/74/555878674.db2.gz SWPHGIAHAAMWFO-UHFFFAOYSA-N 0 0 498.406 5.096 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000022111232 555878700 /nfs/dbraw/zinc/87/87/00/555878700.db2.gz MGCYQPNQOCPMTP-UHFFFAOYSA-N 0 0 488.400 5.641 40 0 JKABRN CCOc1cc(CNn2cn[nH]c2=S)cc(Br)c1OCc1ccccc1Cl ZINC000022111793 555878858 /nfs/dbraw/zinc/87/88/58/555878858.db2.gz VGCJHEFGIAETKN-UHFFFAOYSA-N 0 0 469.792 5.078 40 0 JKABRN CCCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022111858 555878909 /nfs/dbraw/zinc/87/89/09/555878909.db2.gz JKXAVGPLEJYJOS-UHFFFAOYSA-N 0 0 456.761 5.243 40 0 JKABRN CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022112395 555879199 /nfs/dbraw/zinc/87/91/99/555879199.db2.gz DUQGARAEAIBTBD-UHFFFAOYSA-N 0 0 473.813 5.931 40 0 JKABRN O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000015186464 555882919 /nfs/dbraw/zinc/88/29/19/555882919.db2.gz NSLQZXFZOQMIPX-UHFFFAOYSA-N 0 0 468.406 5.855 40 0 JKABRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000015221840 555885540 /nfs/dbraw/zinc/88/55/40/555885540.db2.gz ZRPHRZLLPZUCTQ-HWUWQJTLSA-N 0 0 481.979 6.056 40 0 JKABRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000015222584 555885852 /nfs/dbraw/zinc/88/58/52/555885852.db2.gz MJRCEDLKCFAVGE-DMTYEBIYSA-N 0 0 475.544 5.287 40 0 JKABRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000015223921 555886167 /nfs/dbraw/zinc/88/61/67/555886167.db2.gz GOUUMBDMCAIONQ-QYRZKEDASA-N 0 0 496.006 6.446 40 0 JKABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)Nc1ccc(NC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)cc1)C2 ZINC000015224913 555886418 /nfs/dbraw/zinc/88/64/18/555886418.db2.gz GYERAPHNMJDEPR-MPPVQRIUSA-N 0 0 466.670 6.552 40 0 JKABRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000015225612 555886767 /nfs/dbraw/zinc/88/67/67/555886767.db2.gz ZOEPMTFRVAUQPN-UHFFFAOYSA-N 0 0 456.354 5.423 40 0 JKABRN COc1ccc(C(=O)Nc2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1Br ZINC000015228289 555888096 /nfs/dbraw/zinc/88/80/96/555888096.db2.gz XMKXBESTOCCNAR-UHFFFAOYSA-N 0 0 480.274 5.766 40 0 JKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(-c2ccccc2)cc1 ZINC000015229768 555888938 /nfs/dbraw/zinc/88/89/38/555888938.db2.gz YMYHKPMDDHMHPE-UHFFFAOYSA-N 0 0 471.365 6.597 40 0 JKABRN COc1ccc(C2=Nn3c(COc4ccc(C)cc4)nnc3S[C@H]2c2ccccc2)cc1OC ZINC000015229663 555888975 /nfs/dbraw/zinc/88/89/75/555888975.db2.gz PJWRPWVPBUZUDZ-VWLOTQADSA-N 0 0 472.570 5.282 40 0 JKABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000015231360 555889790 /nfs/dbraw/zinc/88/97/90/555889790.db2.gz KZTNKINCZCXEQV-UHFFFAOYSA-N 0 0 493.815 5.748 40 0 JKABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000022231664 555890550 /nfs/dbraw/zinc/89/05/50/555890550.db2.gz IKIBWUPBYCQMFF-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000022231661 555890553 /nfs/dbraw/zinc/89/05/53/555890553.db2.gz UUTHYLRGYGMOCQ-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN COc1ccc(N2C[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3ccc(F)cc3)C2=S)cc1 ZINC000015276697 555892284 /nfs/dbraw/zinc/89/22/84/555892284.db2.gz FVFUEFASRBRSIH-HSZRJFAPSA-N 0 0 498.023 5.535 40 0 JKABRN Cc1cc(C)[nH+]c([N-]C(NC(=O)c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C(F)(F)F)c1 ZINC000015277013 555892539 /nfs/dbraw/zinc/89/25/39/555892539.db2.gz IGZZRLGCFVBDCZ-UHFFFAOYSA-N 0 0 460.205 5.668 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000022233118 555893088 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Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccc(Cl)cc2C)cc1 ZINC000022277462 555915142 /nfs/dbraw/zinc/91/51/42/555915142.db2.gz OLUNMLZYMBQIJH-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccc(Cl)cc2C)cc1 ZINC000022277493 555915156 /nfs/dbraw/zinc/91/51/56/555915156.db2.gz MATIOISIOPTXNI-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2C)cc1 ZINC000022277633 555915441 /nfs/dbraw/zinc/91/54/41/555915441.db2.gz FNSDTDXMQARGNV-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2cccc(Cl)c2C)cc1 ZINC000022277782 555915497 /nfs/dbraw/zinc/91/54/97/555915497.db2.gz YZTZJVNBIBFOMJ-UHFFFAOYSA-N 0 0 471.022 5.914 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(Cl)c2C)cc1 ZINC000022277762 555915506 /nfs/dbraw/zinc/91/55/06/555915506.db2.gz UTZQOZMZWJPZPV-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccc(C)c(Cl)c2)cc1 ZINC000022277952 555915674 /nfs/dbraw/zinc/91/56/74/555915674.db2.gz VOGAJEDVMPXJBS-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(C)c(Cl)c2)cc1 ZINC000022277958 555915702 /nfs/dbraw/zinc/91/57/02/555915702.db2.gz AMKJDOZSOSQTGH-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022278202 555916025 /nfs/dbraw/zinc/91/60/25/555916025.db2.gz SNSHSIVOASFHSH-UHFFFAOYSA-N 0 0 496.938 5.810 40 0 JKABRN COc1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1OC ZINC000015579801 555916659 /nfs/dbraw/zinc/91/66/59/555916659.db2.gz PLBLOIUECGECMY-UHFFFAOYSA-N 0 0 489.372 5.363 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022304615 555919179 /nfs/dbraw/zinc/91/91/79/555919179.db2.gz DWQWBWWXEQYIMB-IBGZPJMESA-N 0 0 456.995 5.030 40 0 JKABRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000022307552 555919673 /nfs/dbraw/zinc/91/96/73/555919673.db2.gz LLCYZGDCFAXKTC-QHCPKHFHSA-N 0 0 488.531 5.095 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000022310276 555919977 /nfs/dbraw/zinc/91/99/77/555919977.db2.gz OSKYOAUPVARPKS-QHCPKHFHSA-N 0 0 469.006 5.038 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022311567 555920293 /nfs/dbraw/zinc/92/02/93/555920293.db2.gz PNNAMCXCKMWFKM-HSZRJFAPSA-N 0 0 487.021 5.120 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022311547 555920299 /nfs/dbraw/zinc/92/02/99/555920299.db2.gz SCSQKEXMYZISRT-FQEVSTJZSA-N 0 0 471.022 5.338 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022312127 555920362 /nfs/dbraw/zinc/92/03/62/555920362.db2.gz VHUJZXFAKCOOGU-DEOSSOPVSA-N 0 0 469.006 5.038 40 0 JKABRN Cc1c(Cl)cccc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000022311516 555920401 /nfs/dbraw/zinc/92/04/01/555920401.db2.gz TUEPTCHYTFRFTE-HSZRJFAPSA-N 0 0 469.006 5.038 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022314989 555920582 /nfs/dbraw/zinc/92/05/82/555920582.db2.gz TYRLFMSUAQTEHD-SFHVURJKSA-N 0 0 491.440 5.683 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022314984 555920678 /nfs/dbraw/zinc/92/06/78/555920678.db2.gz TYRLFMSUAQTEHD-GOSISDBHSA-N 0 0 491.440 5.683 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2ccc(C)cc2C)cc1 ZINC000022317453 555920976 /nfs/dbraw/zinc/92/09/76/555920976.db2.gz HHALWNLAVHTNAW-VWLOTQADSA-N 0 0 462.615 5.001 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022319225 555921019 /nfs/dbraw/zinc/92/10/19/555921019.db2.gz POJIDRIYYKSLSF-JOCHJYFZSA-N 0 0 464.631 5.247 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022319653 555921233 /nfs/dbraw/zinc/92/12/33/555921233.db2.gz AGIKRIVJXSFKSG-MHZLTWQESA-N 0 0 494.657 5.590 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2cccc(Cl)c2)cc1 ZINC000022320496 555921263 /nfs/dbraw/zinc/92/12/63/555921263.db2.gz KAYDKSZIRWZJLU-FQEVSTJZSA-N 0 0 471.022 5.338 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1)c1ccc(OC)cc1 ZINC000022345309 555923504 /nfs/dbraw/zinc/92/35/04/555923504.db2.gz ARSHQBLXTVGMRH-VWLOTQADSA-N 0 0 498.670 5.188 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000022363112 555925964 /nfs/dbraw/zinc/92/59/64/555925964.db2.gz SLPKZRAGIOMPBB-VWLOTQADSA-N 0 0 483.033 5.346 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022371947 555926871 /nfs/dbraw/zinc/92/68/71/555926871.db2.gz CLHDWBPWQGJGHA-FQEVSTJZSA-N 0 0 471.022 5.338 40 0 JKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3c(F)cccc3Cl)c2)cc1 ZINC000022523904 555930927 /nfs/dbraw/zinc/93/09/27/555930927.db2.gz WQRFCUGYNPKAFZ-UHFFFAOYSA-N 0 0 459.970 5.950 40 0 JKABRN Cc1nc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1I ZINC000022529255 555931249 /nfs/dbraw/zinc/93/12/49/555931249.db2.gz NXDGOFNXYOROOR-UHFFFAOYSA-N 0 0 450.320 5.060 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1 ZINC000022531233 555931830 /nfs/dbraw/zinc/93/18/30/555931830.db2.gz OYXOHKKXLHIOGH-INIZCTEOSA-N 0 0 450.991 7.148 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000022531264 555931867 /nfs/dbraw/zinc/93/18/67/555931867.db2.gz KTYPRWVLIAVJSI-MRXNPFEDSA-N 0 0 450.991 7.148 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000022530327 555931877 /nfs/dbraw/zinc/93/18/77/555931877.db2.gz SSMBTGJIJYETKP-UHFFFAOYSA-N 0 0 450.542 6.169 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000022531298 555932059 /nfs/dbraw/zinc/93/20/59/555932059.db2.gz PFLMLODHCNPYQN-UHFFFAOYSA-N 0 0 450.991 7.066 40 0 JKABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000022532730 555932370 /nfs/dbraw/zinc/93/23/70/555932370.db2.gz ZCJVRDGXBHJTDL-UHFFFAOYSA-N 0 0 493.368 5.142 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000022532713 555932388 /nfs/dbraw/zinc/93/23/88/555932388.db2.gz YAVANJGDRZMWQP-UHFFFAOYSA-N 0 0 451.935 5.597 40 0 JKABRN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000022532743 555932408 /nfs/dbraw/zinc/93/24/08/555932408.db2.gz ZXMAQVWJQVIJPQ-KWUUDPFMSA-N 0 0 451.953 6.072 40 0 JKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000022532852 555932795 /nfs/dbraw/zinc/93/27/95/555932795.db2.gz TXNFQHLQESTXDE-UHFFFAOYSA-N 0 0 452.004 6.306 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CSc3ccc(Cl)cc3)c2)cc1 ZINC000022534757 555932922 /nfs/dbraw/zinc/93/29/22/555932922.db2.gz DBMRLCJDZCCETC-UHFFFAOYSA-N 0 0 453.007 6.621 40 0 JKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(OCc2ccccc2)cc1 ZINC000022535037 555932956 /nfs/dbraw/zinc/93/29/56/555932956.db2.gz JPDSFEGLKHDAMW-UHFFFAOYSA-N 0 0 453.321 7.189 40 0 JKABRN COc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000022535894 555933287 /nfs/dbraw/zinc/93/32/87/555933287.db2.gz LBWXIKUTVZBLFZ-UHFFFAOYSA-N 0 0 453.976 5.752 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)o2)cc1Cl ZINC000022535833 555933311 /nfs/dbraw/zinc/93/33/11/555933311.db2.gz SSYSBLZRVNRBQF-FYWRMAATSA-N 0 0 453.929 7.104 40 0 JKABRN CC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000022535848 555933321 /nfs/dbraw/zinc/93/33/21/555933321.db2.gz KWYTVLZJOJGBDT-ZRDIBKRKSA-N 0 0 453.951 5.393 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)/C=C/c2ccccc2)cc1 ZINC000022535980 555933373 /nfs/dbraw/zinc/93/33/73/555933373.db2.gz ICRJMMKBXHIQEV-OVCLIPMQSA-N 0 0 454.353 6.417 40 0 JKABRN CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccc(C(C)C)cc2)Nc2ccccc2S3)cc1 ZINC000022536636 555933564 /nfs/dbraw/zinc/93/35/64/555933564.db2.gz RWHAMOKATOEQNO-RUZDIDTESA-N 0 0 454.595 6.459 40 0 JKABRN FC(F)(F)c1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675540 555933841 /nfs/dbraw/zinc/93/38/41/555933841.db2.gz WPFKVXQNJFTYEU-IBGZPJMESA-N 0 0 493.411 5.797 40 0 biogenic,in-vitro JKABRN Cc1ccc(-c2ccc(C=CC(=O)NC(=S)NC3C4CC5CC(C4)CC3C5)o2)cc1Cl ZINC000022537254 555933919 /nfs/dbraw/zinc/93/39/19/555933919.db2.gz FYJXWGMDFVJMDT-FNORWQNLSA-N 0 0 455.023 5.737 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc4c(c3)OCCO4)o2)cc1Cl ZINC000022536930 555933983 /nfs/dbraw/zinc/93/39/83/555933983.db2.gz FUYWFERDFGSDBJ-RMKNXTFCSA-N 0 0 454.935 5.206 40 0 JKABRN COc1ccc(-c2cc(=O)[nH]c(Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)n2)cc1 ZINC000022537772 555934172 /nfs/dbraw/zinc/93/41/72/555934172.db2.gz RHYJGYPAAWLSEA-UHFFFAOYSA-N 0 0 455.905 5.453 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cc(C)cc(C)c2)cc1 ZINC000022562430 555934523 /nfs/dbraw/zinc/93/45/23/555934523.db2.gz NYLCKHVXZZRSST-UHFFFAOYSA-N 0 0 456.369 6.634 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 ZINC000022563188 555934563 /nfs/dbraw/zinc/93/45/63/555934563.db2.gz KQLJDRSPXJLQBV-PMACEKPBSA-N 0 0 456.586 7.539 40 0 JKABRN Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675780 555934604 /nfs/dbraw/zinc/93/46/04/555934604.db2.gz KAHYUKPCSCRQRZ-IBGZPJMESA-N 0 0 468.439 5.118 40 0 biogenic,in-vitro JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3)nc2c1 ZINC000022563197 555934624 /nfs/dbraw/zinc/93/46/24/555934624.db2.gz KQLJDRSPXJLQBV-VQTJNVASSA-N 0 0 456.586 7.539 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 ZINC000022564505 555935224 /nfs/dbraw/zinc/93/52/24/555935224.db2.gz PMLLODUJRYECLI-UHFFFAOYSA-N 0 0 457.578 5.615 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc(C)c1Cl ZINC000022563915 555935242 /nfs/dbraw/zinc/93/52/42/555935242.db2.gz LWEBMPJJAQVASJ-UHFFFAOYSA-N 0 0 457.382 6.904 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1Cl ZINC000022564908 555935631 /nfs/dbraw/zinc/93/56/31/555935631.db2.gz FSVYFNYUTUJDKX-UHFFFAOYSA-N 0 0 458.395 6.397 40 0 JKABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000022565068 555935911 /nfs/dbraw/zinc/93/59/11/555935911.db2.gz BNJDIOXHCILPAL-QHCPKHFHSA-N 0 0 458.505 5.489 40 0 JKABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000022565073 555935934 /nfs/dbraw/zinc/93/59/34/555935934.db2.gz BNJDIOXHCILPAL-HSZRJFAPSA-N 0 0 458.505 5.489 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000022565645 555935973 /nfs/dbraw/zinc/93/59/73/555935973.db2.gz FJHGGSHVFPTPPV-FQEVSTJZSA-N 0 0 458.602 6.767 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022567448 555936629 /nfs/dbraw/zinc/93/66/29/555936629.db2.gz DTCHOMPLTQPPMB-UXBLZVDNSA-N 0 0 459.785 7.575 40 0 JKABRN COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)c1 ZINC000022569155 555937172 /nfs/dbraw/zinc/93/71/72/555937172.db2.gz LHZSQJSRKLUATP-UHFFFAOYSA-N 0 0 461.543 5.256 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(Cl)cc2)cc1 ZINC000022571284 555937456 /nfs/dbraw/zinc/93/74/56/555937456.db2.gz DFOUINBELVWJEK-UHFFFAOYSA-N 0 0 462.760 6.671 40 0 JKABRN CCOc1ccc([C@@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000022571541 555937458 /nfs/dbraw/zinc/93/74/58/555937458.db2.gz YEYSAKATWBBQET-QFIPXVFZSA-N 0 0 462.958 5.825 40 0 JKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3Cl)nc2c1 ZINC000022573004 555938075 /nfs/dbraw/zinc/93/80/75/555938075.db2.gz BGQWULDJXKIHCI-UHFFFAOYSA-N 0 0 463.990 6.454 40 0 JKABRN Cc1cc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)oc2c(C)c1 ZINC000022573008 555938127 /nfs/dbraw/zinc/93/81/27/555938127.db2.gz XTGITOWQCMBNMY-UHFFFAOYSA-N 0 0 463.990 6.509 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(I)cn3)o2)cc1Cl ZINC000022574532 555938336 /nfs/dbraw/zinc/93/83/36/555938336.db2.gz HFAGADQFLJOYKP-RMKNXTFCSA-N 0 0 464.690 5.560 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(Cl)c3Cl)o2)cc1Cl ZINC000022576254 555938627 /nfs/dbraw/zinc/93/86/27/555938627.db2.gz JOKBAHIZFVBMDZ-CSKARUKUSA-N 0 0 465.789 6.742 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000022576234 555938697 /nfs/dbraw/zinc/93/86/97/555938697.db2.gz ZJKXKMBQPFEJRQ-RMKNXTFCSA-N 0 0 465.789 6.742 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000022576415 555939019 /nfs/dbraw/zinc/93/90/19/555939019.db2.gz HSASPPVUBQLKDZ-UHFFFAOYSA-N 0 0 465.962 5.900 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)c2)cc1 ZINC000022578831 555939280 /nfs/dbraw/zinc/93/92/80/555939280.db2.gz VSQJSFLIQCSKQC-GXDHUFHOSA-N 0 0 467.396 7.195 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2s1 ZINC000022578884 555939305 /nfs/dbraw/zinc/93/93/05/555939305.db2.gz QULNUJQWUGUAHC-UHFFFAOYSA-N 0 0 467.403 5.469 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=S)NC(=O)C(C)(C)C)cc1 ZINC000022578938 555939372 /nfs/dbraw/zinc/93/93/72/555939372.db2.gz RCRASLHREOXBIY-UHFFFAOYSA-N 0 0 467.418 5.624 40 0 JKABRN CCN(CC)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000022579991 555939679 /nfs/dbraw/zinc/93/96/79/555939679.db2.gz BBNYMFXZJQDEMW-FYWRMAATSA-N 0 0 468.022 6.281 40 0 JKABRN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000012192830 555939755 /nfs/dbraw/zinc/93/97/55/555939755.db2.gz MJBQTEXHCHEOMD-XRKRLSELSA-N 0 0 494.978 7.110 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 ZINC000022704025 555942598 /nfs/dbraw/zinc/94/25/98/555942598.db2.gz SLWYUYNQHCVUJZ-UHFFFAOYSA-N 0 0 468.388 6.134 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000022705293 555942843 /nfs/dbraw/zinc/94/28/43/555942843.db2.gz HUSMSEILQDKJRA-OAHLLOKOSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000022705284 555942847 /nfs/dbraw/zinc/94/28/47/555942847.db2.gz DCNXTXRTAASEIF-OAHLLOKOSA-N 0 0 469.368 7.333 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NCc3ccc(-c4nc5ccccc5o4)cc3)o2)cc1Cl ZINC000022704890 555942849 /nfs/dbraw/zinc/94/28/49/555942849.db2.gz DAQMXHGLMQLPON-FYWRMAATSA-N 0 0 468.940 7.046 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000022705301 555942866 /nfs/dbraw/zinc/94/28/66/555942866.db2.gz SWXLNMRRCMTYEH-OAHLLOKOSA-N 0 0 469.368 7.333 40 0 JKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccccc4)cc3n2)cc1 ZINC000022705895 555943248 /nfs/dbraw/zinc/94/32/48/555943248.db2.gz FTVPHAADBGKRJC-DTQAZKPQSA-N 0 0 469.614 5.598 40 0 JKABRN COc1ccccc1-c1nn(-c2cccc(Cl)c2)c(-c2ccccc2OC)c1Br ZINC000022706008 555943271 /nfs/dbraw/zinc/94/32/71/555943271.db2.gz FDKAVLVPGLDOSQ-UHFFFAOYSA-N 0 0 469.766 6.639 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 ZINC000022706290 555943387 /nfs/dbraw/zinc/94/33/87/555943387.db2.gz NBLIPMLBIMGSAA-UHFFFAOYSA-N 0 0 470.381 6.545 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)c1 ZINC000022706301 555943405 /nfs/dbraw/zinc/94/34/05/555943405.db2.gz YQLUHAXOPUATQB-UHFFFAOYSA-N 0 0 470.381 6.545 40 0 JKABRN CCN(CC)c1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)c(C)c1 ZINC000022706223 555943420 /nfs/dbraw/zinc/94/34/20/555943420.db2.gz PNSKDYHWVIGSMQ-UHFFFAOYSA-N 0 0 470.205 5.627 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc(-c4cccc5ccccc54)cs3)o2)cc1Cl ZINC000022707292 555943888 /nfs/dbraw/zinc/94/38/88/555943888.db2.gz BVAZAMXEWIFABR-WYMLVPIESA-N 0 0 470.981 7.837 40 0 JKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc2c(Br)cccc12 ZINC000022707343 555944011 /nfs/dbraw/zinc/94/40/11/555944011.db2.gz XHEBDTCERBGEEA-UHFFFAOYSA-N 0 0 471.310 5.655 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cc4ccccc4o3)c2)cc1 ZINC000022707748 555944312 /nfs/dbraw/zinc/94/43/12/555944312.db2.gz NWWYXJDFRHJZMT-UHFFFAOYSA-N 0 0 471.582 6.109 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000022707807 555944317 /nfs/dbraw/zinc/94/43/17/555944317.db2.gz JLZYWQOBHRSDMR-GOSISDBHSA-N 0 0 471.626 7.060 40 0 JKABRN CCNC(=O)N(c1ccc(C)cc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccc(C)cc21 ZINC000022707760 555944321 /nfs/dbraw/zinc/94/43/21/555944321.db2.gz UQLQMWSVLUHVOD-ZBLYBZFDSA-N 0 0 471.601 6.028 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000022707771 555944343 /nfs/dbraw/zinc/94/43/43/555944343.db2.gz FVFDXNWOZYIFQK-QFIPXVFZSA-N 0 0 471.601 5.180 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 ZINC000022708066 555944487 /nfs/dbraw/zinc/94/44/87/555944487.db2.gz QOPJMGVUZLLUHI-UHFFFAOYSA-N 0 0 472.397 5.989 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2cccc(C)c2)cc1 ZINC000022708038 555944585 /nfs/dbraw/zinc/94/45/85/555944585.db2.gz SQRSWBGIKLUIFJ-UHFFFAOYSA-N 0 0 472.368 6.091 40 0 JKABRN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000022709268 555945107 /nfs/dbraw/zinc/94/51/07/555945107.db2.gz SFSMELPLVPQJII-XMMPIXPASA-N 0 0 473.425 6.031 40 0 JKABRN O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022709879 555945381 /nfs/dbraw/zinc/94/53/81/555945381.db2.gz BILWLSPPGCKYBQ-UHFFFAOYSA-N 0 0 473.779 6.397 40 0 JKABRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cccc2ccccc21 ZINC000022712159 555946328 /nfs/dbraw/zinc/94/63/28/555946328.db2.gz NXCMUSJLEBNWDV-UHFFFAOYSA-N 0 0 476.001 5.769 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000022713143 555946536 /nfs/dbraw/zinc/94/65/36/555946536.db2.gz YAVCFLFTAAAAGO-UHFFFAOYSA-N 0 0 476.787 6.979 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(C)cc2Cl)cc1 ZINC000022713139 555946562 /nfs/dbraw/zinc/94/65/62/555946562.db2.gz QBGXHUSAIPYNHY-UHFFFAOYSA-N 0 0 476.787 6.979 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Br)cn3)o2)cc1Cl ZINC000022713131 555946591 /nfs/dbraw/zinc/94/65/91/555946591.db2.gz YOFJIXWGFXKVSN-RMKNXTFCSA-N 0 0 476.783 5.592 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 ZINC000022713301 555946595 /nfs/dbraw/zinc/94/65/95/555946595.db2.gz KTBQEPMKSVVXDU-SFHVURJKSA-N 0 0 477.004 7.803 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)cc1 ZINC000022713289 555946638 /nfs/dbraw/zinc/94/66/38/555946638.db2.gz XHQFVDCSIVVLTC-GOSISDBHSA-N 0 0 477.004 7.803 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 ZINC000022713526 555946807 /nfs/dbraw/zinc/94/68/07/555946807.db2.gz YCQQBPBLQMWXLO-UHFFFAOYSA-N 0 0 477.417 5.070 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(I)cc3C)o2)cc1Cl ZINC000022714058 555946827 /nfs/dbraw/zinc/94/68/27/555946827.db2.gz RICQJPRUMKMYLO-JXMROGBWSA-N 0 0 477.729 6.473 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc3ccccc32)cc1 ZINC000022714266 555947173 /nfs/dbraw/zinc/94/71/73/555947173.db2.gz WDVVBNZBUUHFDR-UHFFFAOYSA-N 0 0 478.375 7.170 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000022714856 555947220 /nfs/dbraw/zinc/94/72/20/555947220.db2.gz PXDDCDAEYGWBSN-UHFFFAOYSA-N 0 0 478.548 6.952 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c(C)cc1I ZINC000022715659 555947471 /nfs/dbraw/zinc/94/74/71/555947471.db2.gz DWWUGBZUSYGYAP-UHFFFAOYSA-N 0 0 479.170 5.342 40 0 JKABRN Clc1ccc(CC2=C3Sc4nnc(-c5ccccc5)n4N3[C@H](c3ccccc3)S2)cc1 ZINC000012274180 555947769 /nfs/dbraw/zinc/94/77/69/555947769.db2.gz SYZSTVNJNORCTJ-QFIPXVFZSA-N 0 0 461.015 6.500 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000022739097 555948340 /nfs/dbraw/zinc/94/83/40/555948340.db2.gz JFQDSPUJQPYHIF-UHFFFAOYSA-N 0 0 482.030 6.532 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cccc4ccccc43)c2)cc1 ZINC000022738772 555948462 /nfs/dbraw/zinc/94/84/62/555948462.db2.gz SYLYNSOQOZSSMM-UHFFFAOYSA-N 0 0 481.621 6.516 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000012278520 555948695 /nfs/dbraw/zinc/94/86/95/555948695.db2.gz JUDJUCIPUGPKDB-UUYOSTAYSA-N 0 0 467.930 5.874 40 0 JKABRN CCCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000022740321 555948917 /nfs/dbraw/zinc/94/89/17/555948917.db2.gz QIBPUPDBDMKQPE-ACCUITESSA-N 0 0 482.989 6.002 40 0 JKABRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(NC(=O)CCc3ccc([C@@H]4C[C@@H]4C)o3)cc2)o1 ZINC000012284780 555948949 /nfs/dbraw/zinc/94/89/49/555948949.db2.gz FYAKIZVYYGFMMM-GRJZNYKUSA-N 0 0 460.574 6.262 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)cc1 ZINC000022740565 555948932 /nfs/dbraw/zinc/94/89/32/555948932.db2.gz DSJPPEVTIGZZQP-HNNXBMFYSA-N 0 0 483.395 7.641 40 0 JKABRN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2Cl)CC1 ZINC000022741543 555949557 /nfs/dbraw/zinc/94/95/57/555949557.db2.gz QYRQEAFOUALRKF-DHZHZOJOSA-N 0 0 484.427 6.356 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NCc3ccc(-c4nc5ccccc5s4)cc3)o2)cc1Cl ZINC000022742603 555949808 /nfs/dbraw/zinc/94/98/08/555949808.db2.gz WAXKJUYRTZVDDW-FYWRMAATSA-N 0 0 485.008 7.515 40 0 JKABRN CCc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1 ZINC000022744682 555950493 /nfs/dbraw/zinc/95/04/93/555950493.db2.gz JFKJLAGVNRSKDL-UHFFFAOYSA-N 0 0 486.645 5.264 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=S)NC(=O)c2ccccc2)cc1 ZINC000022745124 555950518 /nfs/dbraw/zinc/95/05/18/555950518.db2.gz IQGKHJNASVNYLG-UHFFFAOYSA-N 0 0 487.408 5.892 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl ZINC000022746168 555951004 /nfs/dbraw/zinc/95/10/04/555951004.db2.gz OXGBTVRJPZLXDF-UHFFFAOYSA-N 0 0 488.421 6.406 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1Cl ZINC000022746190 555951029 /nfs/dbraw/zinc/95/10/29/555951029.db2.gz UXKHPDDBJGCQNA-UHFFFAOYSA-N 0 0 488.421 6.406 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000022746125 555951032 /nfs/dbraw/zinc/95/10/32/555951032.db2.gz JSNOXEWBXNZSCQ-UHFFFAOYSA-N 0 0 488.396 5.287 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nc4ccc(Cl)cc4s3)o2)cc1Cl ZINC000022746195 555951119 /nfs/dbraw/zinc/95/11/19/555951119.db2.gz XQFYQGXTRPBQQM-RMKNXTFCSA-N 0 0 488.421 6.698 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc(-c2nc3ccccc3s2)c1O ZINC000022746164 555951125 /nfs/dbraw/zinc/95/11/25/555951125.db2.gz KAYIMOQPVBZZBM-UHFFFAOYSA-N 0 0 488.421 6.411 40 0 JKABRN COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(Cl)cc3)n2C)cc1OC ZINC000012319087 555951099 /nfs/dbraw/zinc/95/10/99/555951099.db2.gz IHRQACBNNBICFY-RFBIWTDZSA-N 0 0 464.974 5.832 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)cc1Cl ZINC000022746885 555951408 /nfs/dbraw/zinc/95/14/08/555951408.db2.gz HMTUKRVUKVQRRX-UHFFFAOYSA-N 0 0 488.778 5.087 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000022746892 555951412 /nfs/dbraw/zinc/95/14/12/555951412.db2.gz HUDXXEFHCLKLGM-OVCLIPMQSA-N 0 0 488.798 7.070 40 0 JKABRN Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022749685 555952001 /nfs/dbraw/zinc/95/20/01/555952001.db2.gz DFMSMZBGFLDBMD-UHFFFAOYSA-N 0 0 491.529 6.088 40 0 JKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc(I)c1 ZINC000022749064 555952052 /nfs/dbraw/zinc/95/20/52/555952052.db2.gz JEWMSPWZSNAJOE-UHFFFAOYSA-N 0 0 490.753 6.474 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)N(Cc2ccncc2)c2ccc(C(=O)OCC)cc2)cc1 ZINC000022749906 555952326 /nfs/dbraw/zinc/95/23/26/555952326.db2.gz KXTDZFOZQCVDKZ-UHFFFAOYSA-N 0 0 491.613 5.159 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)N(Cc2cccnc2)c2ccc(C(=O)OCC)cc2)c1 ZINC000022749886 555952353 /nfs/dbraw/zinc/95/23/53/555952353.db2.gz UVYHIDZFYPGWQM-UHFFFAOYSA-N 0 0 491.613 5.159 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 ZINC000022749914 555952382 /nfs/dbraw/zinc/95/23/82/555952382.db2.gz MINWFMGIUMVTCU-UHFFFAOYSA-N 0 0 491.613 5.015 40 0 JKABRN CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2)CC1 ZINC000022750167 555952387 /nfs/dbraw/zinc/95/23/87/555952387.db2.gz OIPSLPCBIHFRIA-WYMLVPIESA-N 0 0 492.019 6.009 40 0 JKABRN CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000022750073 555952409 /nfs/dbraw/zinc/95/24/09/555952409.db2.gz KAVFLLNOAISLPB-DHZHZOJOSA-N 0 0 491.756 6.727 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC ZINC000022749890 555952418 /nfs/dbraw/zinc/95/24/18/555952418.db2.gz WAMDKAHWOGELSW-UHFFFAOYSA-N 0 0 491.613 5.380 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000022751142 555952429 /nfs/dbraw/zinc/95/24/29/555952429.db2.gz AZLOSULJLPHJIP-UHFFFAOYSA-N 0 0 492.786 6.679 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 ZINC000022751405 555952675 /nfs/dbraw/zinc/95/26/75/555952675.db2.gz YKFODOOODDMIRG-UHFFFAOYSA-N 0 0 493.036 5.355 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707302 555952820 /nfs/dbraw/zinc/95/28/20/555952820.db2.gz LISGWRDXUUHFJM-SFHVURJKSA-N 0 0 473.295 5.237 40 0 biogenic,in-vitro JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(N4CCCC[C@@H]4C)cc3)o2)cc1Cl ZINC000022752976 555953047 /nfs/dbraw/zinc/95/30/47/555953047.db2.gz ACMZRMCMDSOWFD-LLLGYDHXSA-N 0 0 494.060 6.814 40 0 JKABRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000022755365 555953721 /nfs/dbraw/zinc/95/37/21/555953721.db2.gz MUYKWIFIJFNPPM-UHFFFAOYSA-N 0 0 495.629 6.669 40 0 JKABRN CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4F)cc3Cl)CC2)cc1 ZINC000022755682 555953745 /nfs/dbraw/zinc/95/37/45/555953745.db2.gz QZJRKJBYJNQCBJ-UHFFFAOYSA-N 0 0 495.982 5.483 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1 ZINC000022755724 555953749 /nfs/dbraw/zinc/95/37/49/555953749.db2.gz WJRGXHCYKQXPND-LJQANCHMSA-N 0 0 496.007 5.426 40 0 JKABRN COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H](N(C(=O)C(F)(F)F)c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000022756072 555954077 /nfs/dbraw/zinc/95/40/77/555954077.db2.gz UQQRIRADBSPUQZ-DFBJGRDBSA-N 0 0 496.529 6.388 40 0 JKABRN COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H](N(C(=O)C(F)(F)F)c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000022756076 555954080 /nfs/dbraw/zinc/95/40/80/555954080.db2.gz UQQRIRADBSPUQZ-CLOONOSVSA-N 0 0 496.529 6.388 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000022757594 555954372 /nfs/dbraw/zinc/95/43/72/555954372.db2.gz VVAQOZFGAMQMGL-UHFFFAOYSA-N 0 0 497.205 7.324 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc(OCC)c(Cl)c2)cc1 ZINC000022818473 555954757 /nfs/dbraw/zinc/95/47/57/555954757.db2.gz NHCMZUNZMRJJPU-UHFFFAOYSA-N 0 0 498.004 5.032 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(OCC)c(Cl)c2)cc1 ZINC000022818468 555954760 /nfs/dbraw/zinc/95/47/60/555954760.db2.gz XIMOCPGQFUXGRS-UHFFFAOYSA-N 0 0 498.004 5.032 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2c(C)cc(C)cc2Br)cc1 ZINC000022757694 555954796 /nfs/dbraw/zinc/95/47/96/555954796.db2.gz PMMASZHVMJEDKW-UHFFFAOYSA-N 0 0 497.389 5.250 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4Cl)cc3)nc2c1 ZINC000022818691 555954997 /nfs/dbraw/zinc/95/49/97/555954997.db2.gz HYCLZAYYKNXUHN-CQSZACIVSA-N 0 0 498.435 7.442 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)cc3C(F)(F)F)o2)cc1Cl ZINC000022820034 555955000 /nfs/dbraw/zinc/95/50/00/555955000.db2.gz GMPBLGXSAPCADU-RMKNXTFCSA-N 0 0 499.341 7.107 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4Cl)cc3)nc2c1 ZINC000022818696 555955007 /nfs/dbraw/zinc/95/50/07/555955007.db2.gz HYCLZAYYKNXUHN-AWEZNQCLSA-N 0 0 498.435 7.442 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1 ZINC000022818641 555955020 /nfs/dbraw/zinc/95/50/20/555955020.db2.gz PJFWFGJDYZYOGO-UHFFFAOYSA-N 0 0 498.414 6.143 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000022820597 555955380 /nfs/dbraw/zinc/95/53/80/555955380.db2.gz CQLIGRYYIRLNNJ-UHFFFAOYSA-N 0 0 499.592 5.142 40 0 JKABRN O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)C(c1ccccc1)c1ccccc1 ZINC000012376009 555963098 /nfs/dbraw/zinc/96/30/98/555963098.db2.gz KCABSBPIZCQDSF-OAQYLSRUSA-N 0 0 455.476 6.034 40 0 JKABRN Oc1cc2c(cc1Cl)[C@H](c1ccccc1)[C@H]1CCC[C@@H]3[C@H](c4ccccc4)NC(=S)N[C@]31O2 ZINC000012376199 555963403 /nfs/dbraw/zinc/96/34/03/555963403.db2.gz OJVFCCKMQFSLLN-UKZSDDMASA-N 0 0 477.029 5.902 40 0 JKABRN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@@H]2c1cccc(NC(=O)CCC2CCCCC2)c1 ZINC000012420187 555977889 /nfs/dbraw/zinc/97/78/89/555977889.db2.gz LLFCQXHGDPMUTB-FOUYOVOOSA-N 0 0 477.645 7.149 40 0 JKABRN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012420643 555977892 /nfs/dbraw/zinc/97/78/92/555977892.db2.gz YSQIUMMXCDQXNQ-PTIDKISKSA-N 0 0 498.579 5.390 40 0 biogenic,in-vitro JKABRN Cc1sc2[nH]c(CN(Cc3ccccc3)C(=O)C34CC5CC(CC(C5)C3)C4)nc(=O)c2c1C ZINC000012444597 555980408 /nfs/dbraw/zinc/98/04/08/555980408.db2.gz OVTWGARFFINNOU-UHFFFAOYSA-N 0 0 461.631 5.347 40 0 JKABRN Cc1sc2nc(CN(CCc3ccccc3)C(=O)C34CC5CC(CC(C5)C3)C4)[nH]c(=O)c2c1C ZINC000012444594 555980417 /nfs/dbraw/zinc/98/04/17/555980417.db2.gz MRMLNTQKKZOOFV-UHFFFAOYSA-N 0 0 475.658 5.389 40 0 JKABRN Cc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000012447702 555980518 /nfs/dbraw/zinc/98/05/18/555980518.db2.gz RSUJTCOOUOELBJ-DEOSSOPVSA-N 0 0 458.359 6.206 40 0 JKABRN Cc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000012447701 555980534 /nfs/dbraw/zinc/98/05/34/555980534.db2.gz RSUJTCOOUOELBJ-XMMPIXPASA-N 0 0 458.359 6.206 40 0 JKABRN O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c21)Nc1ccc(Oc2ccccc2)cc1 ZINC000012469689 555982014 /nfs/dbraw/zinc/98/20/14/555982014.db2.gz PQIKWBJIJVJWLX-UHFFFAOYSA-N 0 0 487.581 7.021 40 0 JKABRN COc1ccc(CN(C(=O)CSc2nc3c(C)cccc3cc2C)c2ccc(F)cc2)cc1OC ZINC000012469406 555982021 /nfs/dbraw/zinc/98/20/21/555982021.db2.gz RAWJAKYRESRQOP-UHFFFAOYSA-N 0 0 490.600 6.333 40 0 JKABRN COc1ccc(C(=O)N(c2ccccc2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccco2)cc1OC ZINC000012472302 555982221 /nfs/dbraw/zinc/98/22/21/555982221.db2.gz IPAOJBULCFOGLO-SANMLTNESA-N 0 0 488.515 5.140 40 0 JKABRN Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2O)c1 ZINC000012473855 555982253 /nfs/dbraw/zinc/98/22/53/555982253.db2.gz HNHMXDNPVSCPAO-UHFFFAOYSA-N 0 0 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Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2F)o1 ZINC000012475907 555983331 /nfs/dbraw/zinc/98/33/31/555983331.db2.gz CBDAMKAQZXAJBY-NDEPHWFRSA-N 0 0 487.575 5.974 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2cccc(F)c2)o1 ZINC000012475912 555983341 /nfs/dbraw/zinc/98/33/41/555983341.db2.gz XRMSCCXXMPVHOG-MUUNZHRXSA-N 0 0 487.575 5.974 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2cccc(F)c2)o1 ZINC000012475916 555983365 /nfs/dbraw/zinc/98/33/65/555983365.db2.gz XRMSCCXXMPVHOG-NDEPHWFRSA-N 0 0 487.575 5.974 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000012476047 555983385 /nfs/dbraw/zinc/98/33/85/555983385.db2.gz ONCXNEDIVXPRJQ-MHZLTWQESA-N 0 0 494.632 5.657 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 ZINC000012476030 555983404 /nfs/dbraw/zinc/98/34/04/555983404.db2.gz QGFUJRATJURJMO-MHZLTWQESA-N 0 0 494.632 5.657 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c(OC)c1 ZINC000012476660 555983635 /nfs/dbraw/zinc/98/36/35/555983635.db2.gz FNIBJHNAGJIQIJ-AREMUKBSSA-N 0 0 496.629 5.120 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c1OC ZINC000012476508 555983660 /nfs/dbraw/zinc/98/36/60/555983660.db2.gz RYXRLYYFRGIFNV-VWLOTQADSA-N 0 0 496.629 5.120 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c(OC)c1 ZINC000012476666 555983663 /nfs/dbraw/zinc/98/36/63/555983663.db2.gz FNIBJHNAGJIQIJ-SANMLTNESA-N 0 0 496.629 5.120 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)cc1 ZINC000012476263 555983684 /nfs/dbraw/zinc/98/36/84/555983684.db2.gz FCDYJIAHRCTTSX-MHZLTWQESA-N 0 0 492.641 5.531 40 0 JKABRN Cc1ccccc1CCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012476873 555983939 /nfs/dbraw/zinc/98/39/39/555983939.db2.gz LKOHBMRVTPRJDH-AREMUKBSSA-N 0 0 464.631 5.454 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012476838 555983963 /nfs/dbraw/zinc/98/39/63/555983963.db2.gz ZQHDMSIOZALGOG-XMMPIXPASA-N 0 0 454.567 5.242 40 0 JKABRN Cc1ccccc1CCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012476877 555983975 /nfs/dbraw/zinc/98/39/75/555983975.db2.gz LKOHBMRVTPRJDH-SANMLTNESA-N 0 0 464.631 5.454 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 ZINC000012476730 555983997 /nfs/dbraw/zinc/98/39/97/555983997.db2.gz BPGBPIHZWJTIQI-RUZDIDTESA-N 0 0 466.603 5.506 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012476844 555984003 /nfs/dbraw/zinc/98/40/03/555984003.db2.gz ZQHDMSIOZALGOG-DEOSSOPVSA-N 0 0 454.567 5.242 40 0 JKABRN Cn1cccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(F)c(Cl)c1 ZINC000012477746 555984285 /nfs/dbraw/zinc/98/42/85/555984285.db2.gz XQRJEOQDEVPXCW-XMMPIXPASA-N 0 0 488.028 5.645 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCCC1)c1ccccn1 ZINC000012477297 555984293 /nfs/dbraw/zinc/98/42/93/555984293.db2.gz 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HCFJSHIVKQZXGP-UHFFFAOYSA-N 0 0 474.866 6.816 40 0 JKABRN CCc1c(C)sc2nc(C34CC5CC(CC(C5)C3)C4)nc(SCC(=O)Nc3cc(C)on3)c12 ZINC000012500086 555991229 /nfs/dbraw/zinc/99/12/29/555991229.db2.gz DRTWTTDTJANQKI-UHFFFAOYSA-N 0 0 482.675 6.057 40 0 JKABRN c1ccc(CO[C@@H](C[C@H](OCc2ccccc2)n2nnc3ccccc32)n2nnc3ccccc32)cc1 ZINC000015776160 555995881 /nfs/dbraw/zinc/99/58/81/555995881.db2.gz HOOUCNLRFIMCNX-VMPREFPWSA-N 0 0 490.567 5.697 40 0 JKABRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2)cc1OC ZINC000015778215 555997172 /nfs/dbraw/zinc/99/71/72/555997172.db2.gz WTNULUKWSBHUBM-QFIPXVFZSA-N 0 0 462.546 5.095 40 0 JKABRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000015778232 555997575 /nfs/dbraw/zinc/99/75/75/555997575.db2.gz YRYPIRKMTPDDMP-JOCHJYFZSA-N 0 0 496.991 5.748 40 0 JKABRN Cc1cccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000012530134 556000001 /nfs/dbraw/zinc/00/00/01/556000001.db2.gz SHIJDEYILNFNIX-VWLOTQADSA-N 0 0 461.525 5.375 40 0 biogenic,in-vitro JKABRN Cc1cc(C)c(-c2cc(NC(=O)COC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)n(-c3ccccc3)n2)cc1C ZINC000012541019 556014933 /nfs/dbraw/zinc/01/49/33/556014933.db2.gz FFTDVMPPOXIRSV-YTFSRNRJSA-N 0 0 471.601 5.773 40 0 JKABRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)COC(=O)CCc1ccccc1 ZINC000015890163 556061142 /nfs/dbraw/zinc/06/11/42/556061142.db2.gz WPQKMAWYKDSBAX-SUAVODKESA-N 0 0 462.630 5.880 40 0 JKABRN CC(C)c1ccc(N(CC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2nc3ccccc3s2)cc1 ZINC000012566575 556064706 /nfs/dbraw/zinc/06/47/06/556064706.db2.gz HPMIYZJQAJCYSQ-SKCUWOTOSA-N 0 0 461.675 6.985 40 0 JKABRN CCOc1ccccc1/N=c1\scc(-c2ccc(OC(F)F)cc2)n1Cc1ccc2c(c1)OCO2 ZINC000015913484 556066126 /nfs/dbraw/zinc/06/61/26/556066126.db2.gz PAPTUSLVPKPXAN-WCTVFOPTSA-N 0 0 496.535 6.226 40 0 JKABRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)cc12 ZINC000012586605 556083921 /nfs/dbraw/zinc/08/39/21/556083921.db2.gz BVZGNQLKEJCRBU-VMRPVKRXSA-N 0 0 489.037 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471.626 6.080 40 0 JKABRN Cc1ccc2cc3cc(C(=O)N(CC(=O)NC4CCCC4)c4ccc(C(C)C)cc4)sc3nc2c1 ZINC000012635860 556094758 /nfs/dbraw/zinc/09/47/58/556094758.db2.gz QAGKMLPYQWWOQX-UHFFFAOYSA-N 0 0 485.653 6.587 40 0 JKABRN Cc1ccc2nc3sc(C(=O)N(CC(=O)NC4CCCC4)Cc4ccccc4)cc3cc2c1 ZINC000012635933 556095084 /nfs/dbraw/zinc/09/50/84/556095084.db2.gz ZDFURFHPTUXKDQ-UHFFFAOYSA-N 0 0 457.599 5.459 40 0 JKABRN Cc1ccc([C@@H](OC(=O)c2cc3cc4ccc(C)cc4nc3s2)C(=O)NC2CCCC2)cc1 ZINC000012636029 556095095 /nfs/dbraw/zinc/09/50/95/556095095.db2.gz PFBAASDIKFXNCN-XMMPIXPASA-N 0 0 458.583 6.023 40 0 JKABRN O=C(NC1CCCC1)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1ccc(O)cc1)C1CCCCC1 ZINC000012635988 556095110 /nfs/dbraw/zinc/09/51/10/556095110.db2.gz YTVLMOTWDVQHOT-HHHXNRCGSA-N 0 0 471.601 5.515 40 0 JKABRN CCOC(=O)[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccccc1)C(C)C ZINC000012637085 556095381 /nfs/dbraw/zinc/09/53/81/556095381.db2.gz ZIVKPFPGBKKBCV-NRFANRHFSA-N 0 0 459.999 5.239 40 0 JKABRN C[C@H]1CCc2c(sc3nc(C45CC6CC(CC(C6)C4)C5)nc(SCC(=O)NC4CCCC4)c32)C1 ZINC000012636510 556095387 /nfs/dbraw/zinc/09/53/87/556095387.db2.gz FGKOICWDJHKILO-WDGLFACQSA-N 0 0 495.758 6.435 40 0 JKABRN Cc1sc2nc(C)nc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)c2c1C ZINC000012636661 556095394 /nfs/dbraw/zinc/09/53/94/556095394.db2.gz JCEYQBXHBPMERI-UHFFFAOYSA-N 0 0 484.071 7.192 40 0 JKABRN CCN(CC)C(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c21)CC[C@H](C)C3 ZINC000012636532 556095399 /nfs/dbraw/zinc/09/53/99/556095399.db2.gz WLTXVYGDBYOYBY-ZCZKMIILSA-N 0 0 483.747 6.244 40 0 JKABRN CCOc1cc(NC(=O)C2=Cc3ccccc3OC2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000012638581 556095707 /nfs/dbraw/zinc/09/57/07/556095707.db2.gz VXWSKLIARREEJE-UHFFFAOYSA-N 0 0 458.514 5.151 40 0 JKABRN CC(C)(C)[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)c5ccccc5)CC4)c32)C1 ZINC000012638416 556095730 /nfs/dbraw/zinc/09/57/30/556095730.db2.gz HLWXCBFABHTDTD-FQEVSTJZSA-N 0 0 474.674 5.682 40 0 JKABRN O=C(Nc1ccc(C2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012638994 556095738 /nfs/dbraw/zinc/09/57/38/556095738.db2.gz UBKXIHQPJUZTAY-UHFFFAOYSA-N 0 0 461.027 5.427 40 0 JKABRN O=C(N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc32)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000012639920 556096117 /nfs/dbraw/zinc/09/61/17/556096117.db2.gz JUWUSRQDDSHBDD-UHFFFAOYSA-N 0 0 494.064 5.272 40 0 JKABRN CCC(=O)Nc1ccc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c32)CCCC4)cc1C ZINC000012640138 556096148 /nfs/dbraw/zinc/09/61/48/556096148.db2.gz SVQGDUIBHPAZPM-UHFFFAOYSA-N 0 0 482.675 6.081 40 0 JKABRN CC(C)(C)c1ccc(C(=O)N2CCN(c3ncnc4c(-c5ccc(F)cc5)nsc43)CC2)cc1 ZINC000012639289 556096171 /nfs/dbraw/zinc/09/61/71/556096171.db2.gz UODFRUSMCLHJJH-UHFFFAOYSA-N 0 0 475.593 5.152 40 0 JKABRN C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)Nc4ccccc4C(F)(F)F)c32)C1 ZINC000012639434 556096177 /nfs/dbraw/zinc/09/61/77/556096177.db2.gz BUAWKTDLNIJRHW-LBPRGKRZSA-N 0 0 477.577 6.443 40 0 JKABRN COc1cc(C(=O)N(Cc2ccc(C)cc2)Cc2cc3cccc(C)c3[nH]c2=O)cc(OC)c1OC ZINC000012643663 556096741 /nfs/dbraw/zinc/09/67/41/556096741.db2.gz RMBSSYMHCFCORR-UHFFFAOYSA-N 0 0 486.568 5.013 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=S)Nc2ccc(Cl)cc2)cc1 ZINC000012644171 556096775 /nfs/dbraw/zinc/09/67/75/556096775.db2.gz ZIYVAXAKTBYEDQ-SEJPIABJSA-N 0 0 487.025 5.031 40 0 JKABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccc(Br)cc3)cc2c1 ZINC000012644287 556097141 /nfs/dbraw/zinc/09/71/41/556097141.db2.gz JQOCJDKWLRAYMC-UHFFFAOYSA-N 0 0 493.376 5.889 40 0 JKABRN Cc1cc(C)c2cc(CN(C(=O)c3sc4cc(F)ccc4c3Cl)C3CCCCC3)c(=O)[nH]c2c1 ZINC000012644324 556097222 /nfs/dbraw/zinc/09/72/22/556097222.db2.gz INJFRBWOTSGVCA-UHFFFAOYSA-N 0 0 497.035 7.127 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3sc4ccccc4c3Cl)cc2c1 ZINC000012644951 556097471 /nfs/dbraw/zinc/09/74/71/556097471.db2.gz PFWYCMDCBLEJLD-UHFFFAOYSA-N 0 0 488.996 6.247 40 0 JKABRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012645537 556097746 /nfs/dbraw/zinc/09/77/46/556097746.db2.gz ZUYJBKKWSVGGOL-UHFFFAOYSA-N 0 0 481.335 5.406 40 0 JKABRN COc1ccc(/N=c2\scc(CSc3nc4ccccc4o3)n2Cc2ccccc2)cc1 ZINC000015978427 556098604 /nfs/dbraw/zinc/09/86/04/556098604.db2.gz UNVRDWNOVGAQSF-LCUIJRPUSA-N 0 0 459.596 6.272 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000012656404 556099395 /nfs/dbraw/zinc/09/93/95/556099395.db2.gz VTLULZSVBIUCIS-DWLFOUALSA-N 0 0 453.608 5.683 40 0 JKABRN CC(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@]2(C)CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C ZINC000012659933 556100429 /nfs/dbraw/zinc/10/04/29/556100429.db2.gz CQQNBMVDVWGBMD-IVSIMNEBSA-N 0 0 468.766 8.740 40 0 biogenic JKABRN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@]2(N=C(c3ccccc3)OC2=O)[C@H]2c3ccccc3C=NN21 ZINC000015987329 556101483 /nfs/dbraw/zinc/10/14/83/556101483.db2.gz MDWKFJXQRZSVAR-FDCUTXSFSA-N 0 0 497.554 5.169 40 0 JKABRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000012678458 556101744 /nfs/dbraw/zinc/10/17/44/556101744.db2.gz GBFSVHHDBZYVQY-UHFFFAOYSA-N 0 0 469.950 6.451 40 0 JKABRN COc1ccc(Cn2c(-c3ccc4c(c3)NC(=O)CO4)cs/c2=N\c2cccc(C)c2)cc1OC ZINC000012693350 556102688 /nfs/dbraw/zinc/10/26/88/556102688.db2.gz JVNFDFNBWXYKLZ-DQSJHHFOSA-N 0 0 487.581 5.154 40 0 JKABRN COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000012704198 556103222 /nfs/dbraw/zinc/10/32/22/556103222.db2.gz MNEBDOCRSRJLAO-RUZDIDTESA-N 0 0 478.614 5.208 40 0 JKABRN Cc1ccc2c(c1)C(C)=C[C@H]1[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 ZINC000015996379 556103290 /nfs/dbraw/zinc/10/32/90/556103290.db2.gz QUJRAPHNHYOQJU-BJESRGMDSA-N 0 0 462.977 5.044 40 0 JKABRN Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000012704107 556103237 /nfs/dbraw/zinc/10/32/37/556103237.db2.gz NYLSAZYNEVYSRT-UHFFFAOYSA-N 0 0 459.977 6.341 40 0 JKABRN Cc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012704697 556103243 /nfs/dbraw/zinc/10/32/43/556103243.db2.gz JTDUBLXQOULGKE-UHFFFAOYSA-N 0 0 459.977 6.341 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1ccco1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1cccc(O)c1 ZINC000012703706 556103273 /nfs/dbraw/zinc/10/32/73/556103273.db2.gz LQRYETYVXLSPSD-SANMLTNESA-N 0 0 469.541 5.427 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000012705362 556103547 /nfs/dbraw/zinc/10/35/47/556103547.db2.gz JDLWZUUXHSFLIN-MUUNZHRXSA-N 0 0 499.586 6.246 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccc(Cl)cc3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000012705340 556103550 /nfs/dbraw/zinc/10/35/50/556103550.db2.gz DROLTYVCOBECSZ-UHFFFAOYSA-N 0 0 451.998 5.843 40 0 JKABRN Cc1cccc(CCN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)Nc2ccccc2Cl)c1 ZINC000012705812 556103568 /nfs/dbraw/zinc/10/35/68/556103568.db2.gz NWXOMMZHPBVFSR-UHFFFAOYSA-N 0 0 474.004 6.384 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)NC3CCCCC3)cc2c1 ZINC000012706996 556103785 /nfs/dbraw/zinc/10/37/85/556103785.db2.gz QBPCNXSRUZECHF-UHFFFAOYSA-N 0 0 451.998 5.788 40 0 JKABRN CCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(OC)cc3)=NN2)cc1 ZINC000012707577 556104130 /nfs/dbraw/zinc/10/41/30/556104130.db2.gz NYNGDUMMARPOGU-UHFFFAOYSA-N 0 0 450.336 5.290 40 0 JKABRN COc1ccc(-c2csc(NC(=O)CSc3nc(-c4ccccc4)nc4ccc(C)cc43)n2)cc1 ZINC000012708199 556104138 /nfs/dbraw/zinc/10/41/38/556104138.db2.gz HCUMSMZJQCXHPK-UHFFFAOYSA-N 0 0 498.633 6.468 40 0 JKABRN COCCCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc(-c2ccccc2)cs1 ZINC000012711654 556104447 /nfs/dbraw/zinc/10/44/47/556104447.db2.gz YQQKDLUBHBONKZ-UHFFFAOYSA-N 0 0 488.638 6.202 40 0 JKABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000012711608 556104452 /nfs/dbraw/zinc/10/44/52/556104452.db2.gz RZTMSMYZGCQQAA-UHFFFAOYSA-N 0 0 466.368 6.378 40 0 JKABRN O=C(Nc1ccc(-c2nc(-c3ccccc3)n(Cc3ccc(F)cc3)n2)cc1)C1CCCCC1 ZINC000012712242 556104461 /nfs/dbraw/zinc/10/44/61/556104461.db2.gz AKKCTCSKGXZADI-UHFFFAOYSA-N 0 0 454.549 6.318 40 0 JKABRN O=C(Cn1nc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)nc1-c1ccccc1)N1CCCCC1 ZINC000012712229 556104463 /nfs/dbraw/zinc/10/44/63/556104463.db2.gz MTBUVOSMXPOOSI-UHFFFAOYSA-N 0 0 483.547 5.016 40 0 JKABRN Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012710907 556104526 /nfs/dbraw/zinc/10/45/26/556104526.db2.gz BHGYUWGHNNZYHM-UHFFFAOYSA-N 0 0 475.932 5.453 40 0 JKABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000012714777 556104718 /nfs/dbraw/zinc/10/47/18/556104718.db2.gz UDZLCMJEEXENEP-DEOSSOPVSA-N 0 0 480.511 5.039 40 0 JKABRN Cc1cc(C)cc(N(C(=O)c2ccc3c(c2)OCCO3)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000012714817 556104732 /nfs/dbraw/zinc/10/47/32/556104732.db2.gz DTDLHMXNLYAHIH-SANMLTNESA-N 0 0 490.575 5.517 40 0 JKABRN Cc1ccc(C)c(N(C(=O)c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000012714786 556104744 /nfs/dbraw/zinc/10/47/44/556104744.db2.gz IKZXDSJCSCIJBC-AREMUKBSSA-N 0 0 490.575 5.517 40 0 JKABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)cc1 ZINC000012712726 556104757 /nfs/dbraw/zinc/10/47/57/556104757.db2.gz RAKXLLCTYXKFKX-GDLZYMKVSA-N 0 0 497.643 5.293 40 0 JKABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)cc1 ZINC000012712708 556104773 /nfs/dbraw/zinc/10/47/73/556104773.db2.gz WDONRJYSNPAGTE-LJAQVGFWSA-N 0 0 497.643 5.293 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 ZINC000012716555 556105109 /nfs/dbraw/zinc/10/51/09/556105109.db2.gz BMRKAYCFLDWWDN-SANMLTNESA-N 0 0 480.605 5.354 40 0 JKABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000012715583 556105129 /nfs/dbraw/zinc/10/51/29/556105129.db2.gz BKRRWEOVGKDBFD-HSZRJFAPSA-N 0 0 497.683 7.214 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000012716304 556105176 /nfs/dbraw/zinc/10/51/76/556105176.db2.gz LKRQMPVEVIDWID-UHFFFAOYSA-N 0 0 490.560 6.429 40 0 JKABRN O=C(Nc1ccccc1)Nc1ccc2nc(Cc3ccccc3)n(Cc3ccc(Cl)cc3)c(=O)c2c1 ZINC000012834070 556116137 /nfs/dbraw/zinc/11/61/37/556116137.db2.gz XEOBWVJXWPDZQV-UHFFFAOYSA-N 0 0 494.982 6.333 40 0 JKABRN Cc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000012834085 556116221 /nfs/dbraw/zinc/11/62/21/556116221.db2.gz BBAFKCKRFVMFMS-UHFFFAOYSA-N 0 0 479.967 6.326 40 0 JKABRN Cc1nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000012834088 556116229 /nfs/dbraw/zinc/11/62/29/556116229.db2.gz PUTFJJOZWQYLEP-UHFFFAOYSA-N 0 0 494.982 6.718 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2F)o1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000012833600 556116236 /nfs/dbraw/zinc/11/62/36/556116236.db2.gz JXAUCUXEQVSRJX-UHFFFAOYSA-N 0 0 469.950 6.451 40 0 JKABRN Cc1nc2ccc(NC(=O)NCc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000012834090 556116463 /nfs/dbraw/zinc/11/64/63/556116463.db2.gz VJPOUUORHBSGKB-UHFFFAOYSA-N 0 0 474.564 5.742 40 0 JKABRN Cc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2cc(Cl)ccc2C)c1 ZINC000012871174 556121219 /nfs/dbraw/zinc/12/12/19/556121219.db2.gz NXCHAYZGZLAHLV-FQEVSTJZSA-N 0 0 456.999 5.111 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 ZINC000012871234 556121237 /nfs/dbraw/zinc/12/12/37/556121237.db2.gz FXDFVSKVPWZUIA-SANMLTNESA-N 0 0 497.624 5.437 40 0 JKABRN COc1ccccc1NC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)C(C)(C)O2 ZINC000012875627 556121863 /nfs/dbraw/zinc/12/18/63/556121863.db2.gz IJFOOKWCMAPMLJ-UHFFFAOYSA-N 0 0 450.922 5.305 40 0 JKABRN COc1ccccc1NC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C(C)(C)O2 ZINC000012875647 556121888 /nfs/dbraw/zinc/12/18/88/556121888.db2.gz PHTOFOBRFKJCLB-UHFFFAOYSA-N 0 0 468.912 5.444 40 0 JKABRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000012877103 556122085 /nfs/dbraw/zinc/12/20/85/556122085.db2.gz PAOXTUANHVXVSN-RTBURBONSA-N 0 0 497.686 5.268 40 0 JKABRN CCOc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 ZINC000012878350 556122578 /nfs/dbraw/zinc/12/25/78/556122578.db2.gz QEVNCLOWXUNEEY-UHFFFAOYSA-N 0 0 459.040 5.381 40 0 JKABRN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 ZINC000016043750 556123313 /nfs/dbraw/zinc/12/33/13/556123313.db2.gz SESGWDIGRQIZBS-JWKBDQJMSA-N 0 0 469.625 6.746 40 0 JKABRN Cc1cccc2c(C)cc(SCC(=O)N3N=C4/C(=C/c5ccco5)CCC[C@H]4[C@@H]3c3ccco3)nc12 ZINC000016044542 556124563 /nfs/dbraw/zinc/12/45/63/556124563.db2.gz WBJYOIZPYCGELP-WECQKCFOSA-N 0 0 497.620 6.953 40 0 JKABRN COc1ccc(/N=c2\scc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(F)cc2)cc1 ZINC000016050494 556126328 /nfs/dbraw/zinc/12/63/28/556126328.db2.gz GYYZMGJHWNNSCA-SGEDCAFJSA-N 0 0 480.561 5.671 40 0 JKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 ZINC000024196100 556126594 /nfs/dbraw/zinc/12/65/94/556126594.db2.gz BPJVESIGHHYKSN-UHFFFAOYSA-N 0 0 457.603 5.548 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3)nnc2-c2ccncc2)cc1C ZINC000024196083 556126639 /nfs/dbraw/zinc/12/66/39/556126639.db2.gz CSOJEOJZJXKSRD-UHFFFAOYSA-N 0 0 494.418 5.439 40 0 JKABRN CCC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000016161592 556127126 /nfs/dbraw/zinc/12/71/26/556127126.db2.gz KNYBQFIMHFSSGP-MHZLTWQESA-N 0 0 474.992 6.179 40 0 JKABRN O=C(NC1CCCCC1)N1CCC(CCCC2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000016137819 556127191 /nfs/dbraw/zinc/12/71/91/556127191.db2.gz AQGAVIVMXPVZIE-UHFFFAOYSA-N 0 0 460.707 5.665 40 0 JKABRN O=C(NCCCCCCCCCCCCNC(=O)NC1CCCCC1)NC1CCCCC1 ZINC000016137842 556127240 /nfs/dbraw/zinc/12/72/40/556127240.db2.gz AVXKZYYDSYXVOK-UHFFFAOYSA-N 0 0 450.712 6.151 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccc(CC)cc4)ccc3o2)cc1 ZINC000016161995 556127384 /nfs/dbraw/zinc/12/73/84/556127384.db2.gz XZNJMULWWMROQI-UHFFFAOYSA-N 0 0 475.570 5.348 40 0 JKABRN CCOc1cc(OCC)c(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Br ZINC000016161855 556127397 /nfs/dbraw/zinc/12/73/97/556127397.db2.gz XHPOZJJZQREBPH-ZRELAVNMSA-N 0 0 477.424 5.409 40 0 JKABRN CCOc1cc(OCC)c(/C=C2/S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Br ZINC000016161931 556127414 /nfs/dbraw/zinc/12/74/14/556127414.db2.gz XHPOZJJZQREBPH-FNUHDPNESA-N 0 0 477.424 5.409 40 0 JKABRN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(OC)c(Br)c4)nc3c2)cc1 ZINC000016162015 556127436 /nfs/dbraw/zinc/12/74/36/556127436.db2.gz GSTNAPSCKSCRCW-UHFFFAOYSA-N 0 0 481.346 5.846 40 0 JKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)S2)cc1 ZINC000016161916 556127457 /nfs/dbraw/zinc/12/74/57/556127457.db2.gz AWJZJSKVBKXIHT-AFHVAHMMSA-N 0 0 489.822 6.525 40 0 JKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)cc3)nc2c1 ZINC000016162225 556127733 /nfs/dbraw/zinc/12/77/33/556127733.db2.gz XZUAJBYQIBJFLR-UHFFFAOYSA-N 0 0 459.571 5.971 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc3)ccc21 ZINC000016162934 556127950 /nfs/dbraw/zinc/12/79/50/556127950.db2.gz VKWMAYXWGUTDSL-UHFFFAOYSA-N 0 0 491.613 5.053 40 0 JKABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000016188140 556128297 /nfs/dbraw/zinc/12/82/97/556128297.db2.gz MGNFWMJPWLXJNJ-UHFFFAOYSA-N 0 0 495.384 5.054 40 0 JKABRN CN(CCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016188546 556128298 /nfs/dbraw/zinc/12/82/98/556128298.db2.gz BCPJYUCHRRTTME-UHFFFAOYSA-N 0 0 464.180 5.928 40 0 JKABRN CN(CCCNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016188509 556128306 /nfs/dbraw/zinc/12/83/06/556128306.db2.gz FZEISJPDAQFOER-UHFFFAOYSA-N 0 0 464.180 5.976 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000016194528 556128680 /nfs/dbraw/zinc/12/86/80/556128680.db2.gz DFVAJQBLJDLJMR-FNORWQNLSA-N 0 0 474.731 6.511 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000016214901 556129507 /nfs/dbraw/zinc/12/95/07/556129507.db2.gz OXBXGQQCPHDQOI-HMAPJEAMSA-N 0 0 451.931 6.169 40 0 JKABRN COc1ccc(/C=C/C(=O)Nc2ccc(Br)c(NC(=O)c3ccccc3)c2)cc1 ZINC000016215859 556129632 /nfs/dbraw/zinc/12/96/32/556129632.db2.gz CRKSMRQSOONZMH-NTEUORMPSA-N 0 0 451.320 5.362 40 0 JKABRN COc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1Br ZINC000016226632 556129847 /nfs/dbraw/zinc/12/98/47/556129847.db2.gz NKCIIBNZFZXGPI-UHFFFAOYSA-N 0 0 493.977 5.244 40 0 JKABRN COc1ccc(-c2nc(SC(=O)c3ccc(Br)cc3)c(Nc3ccccc3)s2)cc1 ZINC000016217478 556129894 /nfs/dbraw/zinc/12/98/94/556129894.db2.gz DZPHHKSKJJVSJA-UHFFFAOYSA-N 0 0 497.439 7.257 40 0 JKABRN COc1ccc(/C=c2\sc3nc(-c4ccccc4Cl)c(-c4ccccc4Cl)n3c2=O)cc1 ZINC000016216014 556129904 /nfs/dbraw/zinc/12/99/04/556129904.db2.gz CYOJMSQQXZERJW-STZFKDTASA-N 0 0 479.388 5.953 40 0 JKABRN COc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)cc1Br ZINC000016226734 556130133 /nfs/dbraw/zinc/13/01/33/556130133.db2.gz LHVGKKRMSMULLM-UHFFFAOYSA-N 0 0 498.196 5.605 40 0 JKABRN COc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1Br ZINC000016226659 556130145 /nfs/dbraw/zinc/13/01/45/556130145.db2.gz HDUORRCCNFNIHB-UHFFFAOYSA-N 0 0 455.377 5.103 40 0 JKABRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2F)cc1OC ZINC000016227306 556130176 /nfs/dbraw/zinc/13/01/76/556130176.db2.gz JKYAIQYKRJVFJG-QFIPXVFZSA-N 0 0 480.536 5.234 40 0 JKABRN COc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1Br ZINC000016226683 556130248 /nfs/dbraw/zinc/13/02/48/556130248.db2.gz LKRZDJUBOJMGAV-UHFFFAOYSA-N 0 0 478.593 5.000 40 0 JKABRN COc1ccc(-c2csc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)n2)cc1OC ZINC000016227588 556130404 /nfs/dbraw/zinc/13/04/04/556130404.db2.gz KPCIYHNHWXKYLU-FNORWQNLSA-N 0 0 465.358 5.795 40 0 JKABRN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000016266644 556131600 /nfs/dbraw/zinc/13/16/00/556131600.db2.gz OQHYAFYZUVDTJF-UHFFFAOYSA-N 0 0 485.609 6.418 40 0 JKABRN Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3ccc(Cl)c(Cl)c3)cc1)C2=O ZINC000016266106 556131672 /nfs/dbraw/zinc/13/16/72/556131672.db2.gz KZDPWQDVVMPWFW-UHFFFAOYSA-N 0 0 491.330 6.008 40 0 JKABRN Cc1cc(Cl)cc(C(=O)CCCCCCCCCCC(=O)c2cc(Cl)cc(C)c2O)c1O ZINC000016269576 556131995 /nfs/dbraw/zinc/13/19/95/556131995.db2.gz NAYLIDMXPCWTTK-UHFFFAOYSA-N 0 0 479.444 7.988 40 0 JKABRN Cc1cc(Br)cc(Br)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016269472 556132010 /nfs/dbraw/zinc/13/20/10/556132010.db2.gz RVWZWPMOGOCEKY-UHFFFAOYSA-N 0 0 452.961 6.471 40 0 JKABRN Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1N1CCCC1 ZINC000016282004 556132246 /nfs/dbraw/zinc/13/22/46/556132246.db2.gz CHBAMJNDJXRWDZ-UHFFFAOYSA-N 0 0 468.189 5.138 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1ccc(Cl)cc1C ZINC000016283121 556132448 /nfs/dbraw/zinc/13/24/48/556132448.db2.gz BMNPESBQDGWGHX-UHFFFAOYSA-N 0 0 456.933 5.861 40 0 JKABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000016284272 556132703 /nfs/dbraw/zinc/13/27/03/556132703.db2.gz AFKUIQKIJUGONV-UHFFFAOYSA-N 0 0 470.801 5.156 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)nc2cc1Cl ZINC000016284266 556132816 /nfs/dbraw/zinc/13/28/16/556132816.db2.gz TVXNSSIGBPZFSL-UHFFFAOYSA-N 0 0 475.220 5.801 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1Br ZINC000016284278 556132823 /nfs/dbraw/zinc/13/28/23/556132823.db2.gz PYXFDVFTFUIBOE-UHFFFAOYSA-N 0 0 470.801 5.156 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(Br)cc1 ZINC000016284429 556132980 /nfs/dbraw/zinc/13/29/80/556132980.db2.gz IMOUUUXBTSQLFY-UHFFFAOYSA-N 0 0 457.331 5.897 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000016284353 556133012 /nfs/dbraw/zinc/13/30/12/556133012.db2.gz CBRLGJSGSWDITE-UHFFFAOYSA-N 0 0 468.560 6.653 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc4c(Br)cccc34)nc2cc1Cl ZINC000016284323 556133043 /nfs/dbraw/zinc/13/30/43/556133043.db2.gz DVMUCWXHCSKYFW-UHFFFAOYSA-N 0 0 490.835 6.301 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000016284366 556133083 /nfs/dbraw/zinc/13/30/83/556133083.db2.gz QMPCBNOXOSPPKA-UHFFFAOYSA-N 0 0 477.351 6.206 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000016284480 556133228 /nfs/dbraw/zinc/13/32/28/556133228.db2.gz TUDDETNJBCUMCH-UHFFFAOYSA-N 0 0 484.559 6.713 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000016284549 556133260 /nfs/dbraw/zinc/13/32/60/556133260.db2.gz QKYMEHBNMYQHEY-UHFFFAOYSA-N 0 0 455.518 5.148 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000016284505 556133270 /nfs/dbraw/zinc/13/32/70/556133270.db2.gz IRXRMHXHSORJHN-VAWYXSNFSA-N 0 0 453.527 5.002 40 0 JKABRN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCC[C@@H]1C(=O)OCc1cccc(Cl)c1 ZINC000024522538 556133287 /nfs/dbraw/zinc/13/32/87/556133287.db2.gz MQFPHXJQXCYMLE-PMACEKPBSA-N 0 0 454.979 5.952 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000016284534 556133328 /nfs/dbraw/zinc/13/33/28/556133328.db2.gz CYGJDTAMKRSVEB-UHFFFAOYSA-N 0 0 471.973 5.662 40 0 JKABRN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCC[C@H]1C(=O)OCc1cccc(Cl)c1 ZINC000024522535 556133379 /nfs/dbraw/zinc/13/33/79/556133379.db2.gz MQFPHXJQXCYMLE-VQTJNVASSA-N 0 0 454.979 5.952 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)cc3)n2)cc1Br ZINC000016291963 556133634 /nfs/dbraw/zinc/13/36/34/556133634.db2.gz CRYRNCNMIPIXDV-UHFFFAOYSA-N 0 0 462.394 5.016 40 0 JKABRN Cc1ccc(OCc2ccc(C(=O)Nc3cc(-c4cnc5ccccc5n4)ccc3C)cc2)cc1 ZINC000024522675 556133614 /nfs/dbraw/zinc/13/36/14/556133614.db2.gz WQRIXCDMDKAXCY-UHFFFAOYSA-N 0 0 459.549 6.745 40 0 JKABRN Clc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000024522881 556133627 /nfs/dbraw/zinc/13/36/27/556133627.db2.gz PVXYJFFOXOXSFV-JXMROGBWSA-N 0 0 476.190 7.993 40 0 JKABRN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1Cc1ccc(Br)cc1 ZINC000024522904 556133684 /nfs/dbraw/zinc/13/36/84/556133684.db2.gz UTJSDXCBKMRFNB-NTEUORMPSA-N 0 0 451.751 6.031 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c1 ZINC000016291096 556133707 /nfs/dbraw/zinc/13/37/07/556133707.db2.gz IGYJWBBMZYGMSZ-UHFFFAOYSA-N 0 0 475.614 5.571 40 0 JKABRN O=C(Nc1ccccc1C(=O)OCc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1 ZINC000024522708 556133697 /nfs/dbraw/zinc/13/36/97/556133697.db2.gz FLWSBVOQOWPTIN-UHFFFAOYSA-N 0 0 459.505 5.906 40 0 JKABRN Cc1ccc(-c2nc(Cc3c(Cl)cccc3Cl)ncc2-c2nnnn2-c2ccc(F)cc2)cc1 ZINC000016311045 556134536 /nfs/dbraw/zinc/13/45/36/556134536.db2.gz DYOISQDNHZUAQZ-UHFFFAOYSA-N 0 0 491.357 6.131 40 0 JKABRN Cc1ccc(-n2nnnc2-c2cnn(-c3cccc(Cl)c3)c2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000016311672 556134611 /nfs/dbraw/zinc/13/46/11/556134611.db2.gz DYZBHONPPFDZAJ-UHFFFAOYSA-N 0 0 480.881 6.163 40 0 JKABRN Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)c(Cl)c3)c2-c2ccccc2F)cc1 ZINC000016311688 556134633 /nfs/dbraw/zinc/13/46/33/556134633.db2.gz ZGGQKTNJFUNSFU-UHFFFAOYSA-N 0 0 465.319 5.936 40 0 JKABRN Cc1ccc(-c2onc(C(=O)c3cccc4ccccc43)c2S(=O)(=O)c2ccccc2)cc1 ZINC000016311030 556134645 /nfs/dbraw/zinc/13/46/45/556134645.db2.gz WHWBHCMEYSDUJY-UHFFFAOYSA-N 0 0 453.519 5.867 40 0 JKABRN Cc1ccc(-c2nc(SC(=O)c3ccc(Cl)cc3)c(Nc3ccc(Cl)cc3)s2)cc1 ZINC000016311185 556134672 /nfs/dbraw/zinc/13/46/72/556134672.db2.gz OTZSPHSUTVLESC-UHFFFAOYSA-N 0 0 471.434 8.101 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)n2)cc1Br ZINC000016312760 556134861 /nfs/dbraw/zinc/13/48/61/556134861.db2.gz PROAYBAULYCOIQ-UHFFFAOYSA-N 0 0 496.839 5.670 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)c4ccco4)c(C)c3)o2)cc1Cl ZINC000016313062 556134884 /nfs/dbraw/zinc/13/48/84/556134884.db2.gz MSYITQSLVGIEQA-FMIVXFBMSA-N 0 0 460.917 6.714 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4nc5ccccc5o4)ccc3Cl)o2)cc1Cl ZINC000016313044 556134927 /nfs/dbraw/zinc/13/49/27/556134927.db2.gz UMMHPCALDCKOQH-JLHYYAGUSA-N 0 0 489.358 8.022 40 0 JKABRN Cc1ccc(-c2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1C ZINC000016312631 556134932 /nfs/dbraw/zinc/13/49/32/556134932.db2.gz WVJJATRLQDTFKY-UHFFFAOYSA-N 0 0 474.629 7.865 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000016321425 556135105 /nfs/dbraw/zinc/13/51/05/556135105.db2.gz UKXVBWRCMOBBOU-UHFFFAOYSA-N 0 0 499.184 5.041 40 0 JKABRN CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000016321582 556135168 /nfs/dbraw/zinc/13/51/68/556135168.db2.gz PUBIORVLGRMLNS-UHFFFAOYSA-N 0 0 489.531 6.053 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 ZINC000016322268 556135402 /nfs/dbraw/zinc/13/54/02/556135402.db2.gz LALYUYRPTUFKNF-AWEZNQCLSA-N 0 0 452.407 5.264 40 0 JKABRN CC(C)(NC(=O)Nc1cccc(Cl)c1)c1cccc(C(C)(C)NC(=O)Nc2cccc(Cl)c2)c1 ZINC000016323395 556135735 /nfs/dbraw/zinc/13/57/35/556135735.db2.gz HYKLVTJXXWXWNR-UHFFFAOYSA-N 0 0 499.442 7.107 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)o2)cc1Cl ZINC000016346744 556135769 /nfs/dbraw/zinc/13/57/69/556135769.db2.gz NENJVAKBTZBZKM-SDNWHVSQSA-N 0 0 454.917 6.294 40 0 JKABRN Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)c3)oc2c(C)c1 ZINC000016347291 556136000 /nfs/dbraw/zinc/13/60/00/556136000.db2.gz LFVRMARHPMTMCE-ZRDIBKRKSA-N 0 0 496.994 8.294 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000016347272 556136036 /nfs/dbraw/zinc/13/60/36/556136036.db2.gz NGXLMKDIBCHQCU-MDZDMXLPSA-N 0 0 452.341 6.506 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000016362344 556136394 /nfs/dbraw/zinc/13/63/94/556136394.db2.gz WAKYPPZTUGYSAR-UHFFFAOYSA-N 0 0 481.581 5.326 40 0 JKABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000016363501 556136634 /nfs/dbraw/zinc/13/66/34/556136634.db2.gz PNVZLWXQQZCLFD-UHFFFAOYSA-N 0 0 490.397 5.944 40 0 JKABRN O=C(NCc1ccc(Cl)cc1Cl)c1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000016386301 556136919 /nfs/dbraw/zinc/13/69/19/556136919.db2.gz QXHCHSOKEITTTD-UHFFFAOYSA-N 0 0 482.194 6.160 40 0 JKABRN Clc1ccc(CSCCOCCSCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000016385038 556136933 /nfs/dbraw/zinc/13/69/33/556136933.db2.gz FFOMNZZCHRMYMN-UHFFFAOYSA-N 0 0 456.287 7.483 40 0 JKABRN Clc1cccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Br)cc2)c1 ZINC000016398901 556137174 /nfs/dbraw/zinc/13/71/74/556137174.db2.gz CEUXLCWSVPTFKV-OAQYLSRUSA-N 0 0 490.626 7.221 40 0 JKABRN Fc1ccc(-n2ncc(-c3nnnn3-c3ccc(Cl)cc3)c2-c2cccc(Cl)c2)cc1 ZINC000016399053 556137205 /nfs/dbraw/zinc/13/72/05/556137205.db2.gz SAPQFBAOVJSBFN-UHFFFAOYSA-N 0 0 451.292 5.628 40 0 JKABRN O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1)c1ccc(F)cc1 ZINC000016399691 556137441 /nfs/dbraw/zinc/13/74/41/556137441.db2.gz ZSBKEIMCPKSKJQ-UHFFFAOYSA-N 0 0 492.503 5.302 40 0 JKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000016399393 556137477 /nfs/dbraw/zinc/13/74/77/556137477.db2.gz OBVZMSJENJWOME-UHFFFAOYSA-N 0 0 453.247 6.517 40 0 JKABRN Clc1nc(/C=C/c2ccc(Br)cc2)cc(/C=C/c2ccc(Br)cc2)n1 ZINC000016400223 556137775 /nfs/dbraw/zinc/13/77/75/556137775.db2.gz YNSLYMFTGMMNFU-YDWXAUTNSA-N 0 0 476.599 6.996 40 0 JKABRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C(=O)N1c1c(F)cc(F)cc1F ZINC000016400569 556137806 /nfs/dbraw/zinc/13/78/06/556137806.db2.gz BRZVXHAFVVBIFJ-APTYZTEPSA-N 0 0 493.431 5.806 40 0 JKABRN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(I)cc1 ZINC000016400871 556138090 /nfs/dbraw/zinc/13/80/90/556138090.db2.gz VFTRJFHSERPMOB-UHFFFAOYSA-N 0 0 499.805 5.062 40 0 JKABRN O=C(c1ccc(Cl)cc1)N1CCC(CCCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000016400791 556138125 /nfs/dbraw/zinc/13/81/25/556138125.db2.gz KPTLCJBLTGYXIB-UHFFFAOYSA-N 0 0 487.471 6.568 40 0 JKABRN O=C(CSCCSCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000016400736 556138146 /nfs/dbraw/zinc/13/81/46/556138146.db2.gz VALYSUCDZCBDFF-UHFFFAOYSA-N 0 0 488.266 5.744 40 0 JKABRN O=C(Cc1ccc(Cl)cc1)Nc1nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2s1 ZINC000016401357 556138302 /nfs/dbraw/zinc/13/83/02/556138302.db2.gz SLIISYVIDXLNER-UHFFFAOYSA-N 0 0 470.381 5.966 40 0 JKABRN Clc1ccc(CSc2ccc(Sc3ccc(SCc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000016401877 556138341 /nfs/dbraw/zinc/13/83/41/556138341.db2.gz NLDXEKWSQHBSRL-UHFFFAOYSA-N 0 0 499.553 9.729 40 0 JKABRN O=S(=O)(c1ccc(Cl)cc1)N1C(=S)NC2=C(CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000016401251 556138344 /nfs/dbraw/zinc/13/83/44/556138344.db2.gz OKHDYTPRLURSCL-IBGZPJMESA-N 0 0 453.416 5.442 40 0 JKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc2c(Br)cccc12 ZINC000016431540 556139231 /nfs/dbraw/zinc/13/92/31/556139231.db2.gz FKPQPUFYKLDWLF-UHFFFAOYSA-N 0 0 476.808 5.992 40 0 JKABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CCC3)C1)Nc1ccc2c(c1)CCC2 ZINC000016431299 556139234 /nfs/dbraw/zinc/13/92/34/556139234.db2.gz YAMZMWOVZCNNPV-PMACEKPBSA-N 0 0 460.622 5.414 40 0 JKABRN O=C(NCCCCCCCCCCCCNC(=O)Nc1ccccc1F)Nc1ccccc1F ZINC000016450374 556139414 /nfs/dbraw/zinc/13/94/14/556139414.db2.gz PRYSDGYWYHHWJA-UHFFFAOYSA-N 0 0 474.596 6.809 40 0 JKABRN Fc1ccc(-n2ncc(-c3nnnn3-c3ccc(Cl)cc3)c2-c2ccccc2Cl)cc1 ZINC000016450570 556139776 /nfs/dbraw/zinc/13/97/76/556139776.db2.gz SNDAZKSVYPGCED-UHFFFAOYSA-N 0 0 451.292 5.628 40 0 JKABRN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CNc1ccccc1I ZINC000016450462 556139793 /nfs/dbraw/zinc/13/97/93/556139793.db2.gz DGKGENFXAGZTIV-OQLLNIDSSA-N 0 0 470.719 5.051 40 0 JKABRN Fc1ccccc1-c1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1cccc(Cl)c1 ZINC000016450572 556139796 /nfs/dbraw/zinc/13/97/96/556139796.db2.gz KEGGYTGXHLKEPO-UHFFFAOYSA-N 0 0 451.292 5.628 40 0 JKABRN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccc2c(Br)cccc12 ZINC000016450433 556139805 /nfs/dbraw/zinc/13/98/05/556139805.db2.gz TWPQMZBURDDTLF-UHFFFAOYSA-N 0 0 454.393 5.329 40 0 JKABRN Fc1ccccc1-c1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccc(Cl)c(Cl)c1 ZINC000016450568 556139809 /nfs/dbraw/zinc/13/98/09/556139809.db2.gz HUBMHHRBHBRWBG-UHFFFAOYSA-N 0 0 485.737 6.281 40 0 JKABRN O=C(Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016476823 556139810 /nfs/dbraw/zinc/13/98/10/556139810.db2.gz VIEPSKCVXIXHMF-UHFFFAOYSA-N 0 0 451.309 6.758 40 0 JKABRN O=c1/c(=C/c2ccc(Cl)cc2Cl)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000016478252 556139985 /nfs/dbraw/zinc/13/99/85/556139985.db2.gz XJUZZTCJEMSOCN-CBYYHRJHSA-N 0 0 489.427 5.626 40 0 JKABRN O=C(C[C@@H](Sc1cccc(Cl)c1Cl)c1ccccc1)c1ccc(Br)cc1 ZINC000016477281 556140003 /nfs/dbraw/zinc/14/00/03/556140003.db2.gz PSFJESAHAJEPBJ-HXUWFJFHSA-N 0 0 466.227 7.862 40 0 JKABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000016479602 556140318 /nfs/dbraw/zinc/14/03/18/556140318.db2.gz SVBZZNDNDVXYDX-UHFFFAOYSA-N 0 0 472.566 5.309 40 0 JKABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000016479625 556140328 /nfs/dbraw/zinc/14/03/28/556140328.db2.gz BMOPBIKDHXWCOJ-UHFFFAOYSA-N 0 0 484.621 5.107 40 0 JKABRN O[C@H](COC1CN(c2ccccc2)N(c2ccccc2)C1)Cn1c2ccccc2c2ccccc21 ZINC000016488991 556140597 /nfs/dbraw/zinc/14/05/97/556140597.db2.gz VOBDVRPBWFJAMX-VWLOTQADSA-N 0 0 463.581 5.482 40 0 JKABRN O=C(Nc1cccc(Cl)c1)Nc1ccccc1N(C(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000016488087 556140613 /nfs/dbraw/zinc/14/06/13/556140613.db2.gz RZVMHVTWWXKCQM-UHFFFAOYSA-N 0 0 491.378 8.008 40 0 JKABRN O=C(c1ccc(N(c2ccccc2)c2cccc3ccccc32)s1)c1ccc(Br)cc1 ZINC000016487955 556140642 /nfs/dbraw/zinc/14/06/42/556140642.db2.gz ZPWRCUKEEAISJL-UHFFFAOYSA-N 0 0 484.418 8.365 40 0 JKABRN O=c1c2ccccc2nc(/C=C/c2cn(Cc3ccccc3)c3ccccc23)n1C1CCCCC1 ZINC000016487676 556140654 /nfs/dbraw/zinc/14/06/54/556140654.db2.gz MVWIGJVHWSLALU-FMQUCBEESA-N 0 0 459.593 7.075 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000016490439 556140867 /nfs/dbraw/zinc/14/08/67/556140867.db2.gz FGAIYUDDFBQWKI-UHFFFAOYSA-N 0 0 484.883 5.177 40 0 JKABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000016490927 556140886 /nfs/dbraw/zinc/14/08/86/556140886.db2.gz WCHBIKIJTFVGNX-UHFFFAOYSA-N 0 0 464.587 5.441 40 0 JKABRN O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000016491776 556140899 /nfs/dbraw/zinc/14/08/99/556140899.db2.gz GYRHSBFBFFISDE-UHFFFAOYSA-N 0 0 479.561 5.624 40 0 JKABRN S=C(Nc1ccccc1)Nc1ccccc1N(C(=S)Nc1ccccc1)c1ccccc1 ZINC000016490058 556140920 /nfs/dbraw/zinc/14/09/20/556140920.db2.gz FEYXHCJJUFEQKJ-UHFFFAOYSA-N 0 0 454.624 7.031 40 0 JKABRN O=C(COc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000016490668 556140950 /nfs/dbraw/zinc/14/09/50/556140950.db2.gz UFJLOFJTAQRRFV-UHFFFAOYSA-N 0 0 472.353 5.694 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000016490384 556140963 /nfs/dbraw/zinc/14/09/63/556140963.db2.gz ODMRTRCONOEQSD-UHFFFAOYSA-N 0 0 485.776 5.465 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCC(=O)c1ccc(Cl)cc1 ZINC000016492157 556141191 /nfs/dbraw/zinc/14/11/91/556141191.db2.gz BPSXHDIQHLRAEZ-UHFFFAOYSA-N 0 0 463.942 6.180 40 0 JKABRN Clc1ccc(Sc2c(-c3ccccc3)nc3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000016492442 556141217 /nfs/dbraw/zinc/14/12/17/556141217.db2.gz FMLKVSPVRSYJDM-UHFFFAOYSA-N 0 0 458.413 9.027 40 0 JKABRN O=C(OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000016492642 556141277 /nfs/dbraw/zinc/14/12/77/556141277.db2.gz YZMQJAOZUBQLBO-UHFFFAOYSA-N 0 0 497.186 6.784 40 0 JKABRN O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)N1CCCc2ccccc21 ZINC000016524743 556141802 /nfs/dbraw/zinc/14/18/02/556141802.db2.gz VPJLPUTVLWYBIL-UHFFFAOYSA-N 0 0 450.007 5.747 40 0 JKABRN Clc1cccc(Cl)c1Cc1ncc(-c2nnnn2-c2ccccc2)c(-c2cccs2)n1 ZINC000016523944 556141814 /nfs/dbraw/zinc/14/18/14/556141814.db2.gz UVGVGVMQEFUULQ-UHFFFAOYSA-N 0 0 465.369 5.745 40 0 JKABRN Fc1cccc(-c2nc(Cc3c(Cl)cccc3Cl)ncc2-c2nnnn2-c2ccccc2)c1 ZINC000016523932 556141831 /nfs/dbraw/zinc/14/18/31/556141831.db2.gz BSSNGMKKNYJSGU-UHFFFAOYSA-N 0 0 477.330 5.823 40 0 JKABRN O=C(Nc1nc2ccc(NC(=O)c3cccc4ccccc43)cc2s1)c1cccc2ccccc21 ZINC000016526265 556142362 /nfs/dbraw/zinc/14/23/62/556142362.db2.gz UQZDXOKXVMWTQI-UHFFFAOYSA-N 0 0 473.557 7.107 40 0 JKABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2nc3ccccc3s2)C1)Nc1nc2ccccc2s1 ZINC000016545433 556143043 /nfs/dbraw/zinc/14/30/43/556143043.db2.gz PSYLYPMJSGKUMK-HZPDHXFCSA-N 0 0 494.646 5.656 40 0 JKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cc(Br)ccc1Cl ZINC000016545488 556143072 /nfs/dbraw/zinc/14/30/72/556143072.db2.gz XFHDVFJLPMHWLS-UHFFFAOYSA-N 0 0 478.198 7.285 40 0 JKABRN O=C(COc1ccc(CNc2cccc(-c3nc4ccccc4s3)c2)cc1)N1CCCCC1 ZINC000016545523 556143141 /nfs/dbraw/zinc/14/31/41/556143141.db2.gz FEPQEQZXDMCWQS-UHFFFAOYSA-N 0 0 457.599 5.967 40 0 JKABRN CC(C)c1ccc(NC(=O)NC[C@@H]2CCC[C@H](CNC(=O)Nc3ccc(C(C)C)cc3)C2)cc1 ZINC000016575918 556144922 /nfs/dbraw/zinc/14/49/22/556144922.db2.gz WOQVJCKHSOARRR-SZPZYZBQSA-N 0 0 464.654 6.683 40 0 JKABRN C[C@@H](OC(=O)Nc1cccc2ccccc21)c1cccc(NC(=O)Nc2cccc3ccccc32)c1 ZINC000016576710 556145196 /nfs/dbraw/zinc/14/51/96/556145196.db2.gz CAPASQLNQQSQPI-HXUWFJFHSA-N 0 0 475.548 7.947 40 0 JKABRN C[C@H](CCCNC(=O)Nc1cccc2ccccc21)CNC(=O)Nc1cccc2ccccc21 ZINC000016576275 556145242 /nfs/dbraw/zinc/14/52/42/556145242.db2.gz IHCDMGZVWZSIFY-HXUWFJFHSA-N 0 0 454.574 6.353 40 0 JKABRN CC1(C)C[C@@H](NC(=O)NC2CCCCCCC2)C[C@@](C)(CNC(=O)NC2CCCCCCC2)C1 ZINC000016577708 556145468 /nfs/dbraw/zinc/14/54/68/556145468.db2.gz VOCWPTWPKRAUBR-UFHPHHKVSA-N 0 0 476.750 6.396 40 0 JKABRN CC1(C)CC(NC(=O)Nc2ccc(Cl)cc2)CC(C)(C)N1C(=O)Nc1ccc(Cl)cc1 ZINC000016577739 556145608 /nfs/dbraw/zinc/14/56/08/556145608.db2.gz YHQOAWLBZAVUIN-UHFFFAOYSA-N 0 0 463.409 6.369 40 0 JKABRN C[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016609583 556146075 /nfs/dbraw/zinc/14/60/75/556146075.db2.gz ATCPFJIDCOJZHL-ZDUSSCGKSA-N 0 0 474.405 5.494 40 0 JKABRN CCC(=O)Oc1c(Br)cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1OC ZINC000016609987 556146143 /nfs/dbraw/zinc/14/61/43/556146143.db2.gz PRZUCDJJQOHYFZ-UNOMPAQXSA-N 0 0 480.314 5.271 40 0 JKABRN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 ZINC000016610366 556146152 /nfs/dbraw/zinc/14/61/52/556146152.db2.gz QBNFWSUGGCDBFS-KRWDZBQOSA-N 0 0 489.601 5.042 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000016610530 556146379 /nfs/dbraw/zinc/14/63/79/556146379.db2.gz IIMXBXXCZFDYRD-IBGZPJMESA-N 0 0 464.569 6.413 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)nc2c1 ZINC000016610681 556146431 /nfs/dbraw/zinc/14/64/31/556146431.db2.gz SJNMUTAHAZAPQK-OAQYLSRUSA-N 0 0 460.577 7.779 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cccc5ccccc54)c3)nc2c1 ZINC000016610747 556146669 /nfs/dbraw/zinc/14/66/69/556146669.db2.gz MJMGHAMGXBIHEW-IBGZPJMESA-N 0 0 450.538 7.179 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000016610739 556146708 /nfs/dbraw/zinc/14/67/08/556146708.db2.gz PLMAQWLGDMJZLE-HNNXBMFYSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c(Br)c4)c3)nc2c1 ZINC000016610787 556146712 /nfs/dbraw/zinc/14/67/12/556146712.db2.gz KLGLQURXWANKMK-HNNXBMFYSA-N 0 0 479.374 7.032 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4cc(C)cc(C)c4)c3)nc2c1 ZINC000016610961 556146927 /nfs/dbraw/zinc/14/69/27/556146927.db2.gz PJWAGWGDKHBSAH-IBGZPJMESA-N 0 0 487.625 6.517 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)c3)nc2c1 ZINC000016610928 556146947 /nfs/dbraw/zinc/14/69/47/556146947.db2.gz KJKRORPADDZHDY-ZGUWOUCSSA-N 0 0 490.028 7.188 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 ZINC000016610868 556146982 /nfs/dbraw/zinc/14/69/82/556146982.db2.gz PARGAUUHGDSYKX-KRWDZBQOSA-N 0 0 470.956 8.174 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OCc5ccccc5)c4)c3)nc2c1 ZINC000016610903 556147017 /nfs/dbraw/zinc/14/70/17/556147017.db2.gz CMTKVHFLOUMYOU-NRFANRHFSA-N 0 0 476.576 7.840 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)c3)nc2c1 ZINC000016611084 556147284 /nfs/dbraw/zinc/14/72/84/556147284.db2.gz IZGKHROVCUAUEY-CQSZACIVSA-N 0 0 498.435 7.442 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1 ZINC000016611080 556147299 /nfs/dbraw/zinc/14/72/99/556147299.db2.gz GRKBKCNKYWJIIT-OAHLLOKOSA-N 0 0 478.017 7.097 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(OC)c4)c3)nc2c1 ZINC000016611199 556147751 /nfs/dbraw/zinc/14/77/51/556147751.db2.gz WOQUASSYQVXQIZ-MRXNPFEDSA-N 0 0 459.571 6.144 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 ZINC000016611203 556147796 /nfs/dbraw/zinc/14/77/96/556147796.db2.gz QQZWOAGQSJDFST-GOSISDBHSA-N 0 0 487.625 6.922 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 ZINC000016611205 556147823 /nfs/dbraw/zinc/14/78/23/556147823.db2.gz QQZWOAGQSJDFST-SFHVURJKSA-N 0 0 487.625 6.922 40 0 JKABRN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000016636626 556148621 /nfs/dbraw/zinc/14/86/21/556148621.db2.gz QFEOHOKYDJFYRN-UHFFFAOYSA-N 0 0 484.621 5.146 40 0 JKABRN CCCC[C@](CC)(CCCNC(=O)Nc1ccc(Cl)cc1)CNC(=O)Nc1ccc(Cl)cc1 ZINC000016637595 556148987 /nfs/dbraw/zinc/14/89/87/556148987.db2.gz UOYHZXGKTHHPKE-RUZDIDTESA-N 0 0 493.479 7.303 40 0 JKABRN CCCCCCSCCOCCOCCO[C@H](CCCCCC)CSCCCCCC ZINC000016637905 556149037 /nfs/dbraw/zinc/14/90/37/556149037.db2.gz MCENOHQJUUWBCE-AREMUKBSSA-N 0 0 478.849 8.002 40 0 JKABRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000016637489 556149065 /nfs/dbraw/zinc/14/90/65/556149065.db2.gz JFAMZNBWGYJSIO-TVNKHIRZSA-N 0 0 475.588 6.101 40 0 JKABRN CCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCC)cc3)cc2)cc1 ZINC000016638615 556149361 /nfs/dbraw/zinc/14/93/61/556149361.db2.gz VQLZQCMVBAXHIJ-UHFFFAOYSA-N 0 0 490.596 7.263 40 0 JKABRN CCCCN(CCOCCOCCN(CCCC)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000016638754 556149377 /nfs/dbraw/zinc/14/93/77/556149377.db2.gz WIQUVHPSNSXQLG-UHFFFAOYSA-N 0 0 498.668 5.688 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000016639219 556149458 /nfs/dbraw/zinc/14/94/58/556149458.db2.gz USZFKDSGNJMPLY-UHFFFAOYSA-N 0 0 450.542 6.313 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 ZINC000016678276 556150393 /nfs/dbraw/zinc/15/03/93/556150393.db2.gz KMEIDLBVXRRITP-GOSISDBHSA-N 0 0 487.625 6.924 40 0 JKABRN CCN1CCN(c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2Cl)CC1 ZINC000016681525 556150929 /nfs/dbraw/zinc/15/09/29/556150929.db2.gz ZEFXQMONKDJQLO-UHFFFAOYSA-N 0 0 468.837 6.256 40 0 JKABRN CCN1c2ccccc2Sc2cc(/C=C/[C@@]34NC(=O)CN3c3ccccc3C4(C)C)ccc21 ZINC000016681649 556151211 /nfs/dbraw/zinc/15/12/11/556151211.db2.gz IXMRGWIHLPNKKY-VFAHUECZSA-N 0 0 453.611 5.946 40 0 JKABRN CCOP(=O)(OCC)[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000016688023 556151792 /nfs/dbraw/zinc/15/17/92/556151792.db2.gz LBSROYCPBJJDAI-QGZVFWFLSA-N 0 0 464.808 6.445 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccc(C)c(C)c4)ccc3o2)cc1 ZINC000016691945 556152987 /nfs/dbraw/zinc/15/29/87/556152987.db2.gz IFOSHKDUDDBQEX-UHFFFAOYSA-N 0 0 475.570 5.402 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000016691955 556153037 /nfs/dbraw/zinc/15/30/37/556153037.db2.gz OYFVUVFVHQXPNN-UHFFFAOYSA-N 0 0 481.961 5.439 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OCC)c(Cl)c4)ccc3o2)cc1 ZINC000016691997 556153497 /nfs/dbraw/zinc/15/34/97/556153497.db2.gz VYPSCTMATQVJGT-UHFFFAOYSA-N 0 0 495.988 6.072 40 0 JKABRN COc1cc2c(cc1NC(=O)CSc1ncnc3sc4c(c31)CCCC4)oc1ccccc12 ZINC000016713362 556154303 /nfs/dbraw/zinc/15/43/03/556154303.db2.gz SRVNKUVLTCTPNI-UHFFFAOYSA-N 0 0 475.595 6.209 40 0 JKABRN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000016739519 556156132 /nfs/dbraw/zinc/15/61/32/556156132.db2.gz VHQJXQNBTGHJGL-UHFFFAOYSA-N 0 0 453.361 5.916 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)sc3c2SC(C)(C)[C@H]2CC[C@@H](C)C[C@H]32)cc1 ZINC000016739622 556156381 /nfs/dbraw/zinc/15/63/81/556156381.db2.gz MSFLUHAEFMHFFO-JLSDUUJJSA-N 0 0 474.648 5.129 40 0 JKABRN CCCCOc1c(Cl)cc(C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OC)cc1Cl ZINC000016751444 556157434 /nfs/dbraw/zinc/15/74/34/556157434.db2.gz XUBQWDIPHKSUKF-UHFFFAOYSA-N 0 0 458.363 5.784 40 0 JKABRN CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757884 556157743 /nfs/dbraw/zinc/15/77/43/556157743.db2.gz RPDWGMOHILMGIR-FQEVSTJZSA-N 0 0 451.979 6.175 40 0 JKABRN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1cccc(Cl)c1 ZINC000016755977 556157795 /nfs/dbraw/zinc/15/77/95/556157795.db2.gz PAFGOHFVXWZTQR-UHFFFAOYSA-N 0 0 495.836 5.081 40 0 JKABRN CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758027 556158049 /nfs/dbraw/zinc/15/80/49/556158049.db2.gz KNFTXWQKJPKSGV-MRXNPFEDSA-N 0 0 451.979 6.093 40 0 JKABRN CC(=O)C[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758014 556158146 /nfs/dbraw/zinc/15/81/46/556158146.db2.gz VCFCDKMIIAKVOX-MRXNPFEDSA-N 0 0 466.404 6.310 40 0 JKABRN CC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757987 556158158 /nfs/dbraw/zinc/15/81/58/556158158.db2.gz JPELWMQHIDGYQC-HNNXBMFYSA-N 0 0 452.377 5.920 40 0 JKABRN CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757919 556158185 /nfs/dbraw/zinc/15/81/85/556158185.db2.gz MDSWHZLUKOASMX-UHFFFAOYSA-N 0 0 451.979 6.175 40 0 JKABRN CN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016768362 556158445 /nfs/dbraw/zinc/15/84/45/556158445.db2.gz DOBAYKUDJNEHSM-UHFFFAOYSA-N 0 0 469.386 6.486 40 0 JKABRN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(CCO)Cc2ccccc2)cc1 ZINC000016768325 556158511 /nfs/dbraw/zinc/15/85/11/556158511.db2.gz QDGLEWGGCAYCBL-UHFFFAOYSA-N 0 0 450.542 5.095 40 0 JKABRN CCc1cccc(C)c1N(C(=O)Cn1c2ccccc2nc1[C@H](O)c1ccccc1)[C@@H](C)COC ZINC000016776812 556158880 /nfs/dbraw/zinc/15/88/80/556158880.db2.gz JTMGAQXFWYWKDQ-RBTNQOKQSA-N 0 0 471.601 5.057 40 0 JKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000016779584 556159096 /nfs/dbraw/zinc/15/90/96/556159096.db2.gz XHGHCHRSZQKKOO-UHFFFAOYSA-N 0 0 466.990 6.213 40 0 JKABRN Cc1ccc(S[C@H]2CSc3nc(=O)c4c5c(sc4n3[C@@H]2c2ccccc2)CCCC5)cc1 ZINC000016779168 556159156 /nfs/dbraw/zinc/15/91/56/556159156.db2.gz ZVOVFWJSITYQJN-JTHBVZDNSA-N 0 0 476.692 6.501 40 0 JKABRN O=c1nc2n(c3sc4c(c31)CCCC4)[C@H](c1ccccc1)[C@H](Sc1ccccc1)CS2 ZINC000016779158 556159161 /nfs/dbraw/zinc/15/91/61/556159161.db2.gz YFWOPFLPBSMLDU-IFMALSPDSA-N 0 0 462.665 6.193 40 0 JKABRN Cc1ccc(S[C@H]2CSc3nc(=O)c4c5c(sc4n3[C@H]2c2ccccc2)CCCC5)cc1 ZINC000016779172 556159202 /nfs/dbraw/zinc/15/92/02/556159202.db2.gz ZVOVFWJSITYQJN-GMAHTHKFSA-N 0 0 476.692 6.501 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccc(C)cc1)cc2Cl ZINC000016779616 556159570 /nfs/dbraw/zinc/15/95/70/556159570.db2.gz TUIMUQPLGGPJOK-UHFFFAOYSA-N 0 0 497.016 6.187 40 0 JKABRN Cc1c(C)n(-c2cc(NC(=O)c3ccc(Br)cc3)c(C)c(C)c2O)c2ccccc12 ZINC000016779697 556159585 /nfs/dbraw/zinc/15/95/85/556159585.db2.gz QQHGXAFQBXABQJ-UHFFFAOYSA-N 0 0 463.375 6.585 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788815 556159709 /nfs/dbraw/zinc/15/97/09/556159709.db2.gz QSUKWJWLZAPUOR-UHFFFAOYSA-N 0 0 466.969 6.074 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2-c2ccc(C)cc2)cc1 ZINC000016788791 556159711 /nfs/dbraw/zinc/15/97/11/556159711.db2.gz VVBGEEJNQJWYDT-UHFFFAOYSA-N 0 0 493.430 6.044 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016788692 556159755 /nfs/dbraw/zinc/15/97/55/556159755.db2.gz DSQFJXQHMPBSLA-UHFFFAOYSA-N 0 0 492.910 5.989 40 0 JKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000016788959 556159968 /nfs/dbraw/zinc/15/99/68/556159968.db2.gz FYMHBBMUQQLFOY-UHFFFAOYSA-N 0 0 478.021 5.693 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788879 556160006 /nfs/dbraw/zinc/16/00/06/556160006.db2.gz AHDYFSWROMZWTJ-UHFFFAOYSA-N 0 0 469.397 6.280 40 0 JKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)n2Cc2ccco2)c1 ZINC000016788937 556160096 /nfs/dbraw/zinc/16/00/96/556160096.db2.gz YVAOXLZFKSGLFN-UHFFFAOYSA-N 0 0 497.418 5.697 40 0 JKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccc(Cl)cc2)c1 ZINC000016788970 556160098 /nfs/dbraw/zinc/16/00/98/556160098.db2.gz DOMPJGFSRWQHPG-UHFFFAOYSA-N 0 0 463.006 6.244 40 0 JKABRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(C)C)n1-c1ccc(Cl)cc1 ZINC000016789011 556160202 /nfs/dbraw/zinc/16/02/02/556160202.db2.gz RZTQNOGFNIDKRM-UHFFFAOYSA-N 0 0 493.032 6.451 40 0 JKABRN COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-c2ccc(Cl)cc2)c1 ZINC000016789120 556160236 /nfs/dbraw/zinc/16/02/36/556160236.db2.gz UEXIQWQPRMYFIP-UHFFFAOYSA-N 0 0 479.005 5.944 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2cccc(C)c2)cc1 ZINC000016788995 556160254 /nfs/dbraw/zinc/16/02/54/556160254.db2.gz UZZNWVCEVRDVQP-UHFFFAOYSA-N 0 0 472.614 5.989 40 0 JKABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2-c2ccccc2)cc1 ZINC000016789091 556160270 /nfs/dbraw/zinc/16/02/70/556160270.db2.gz ZYQIMVMZMICEOA-UHFFFAOYSA-N 0 0 495.023 6.755 40 0 JKABRN COc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 ZINC000016789229 556160574 /nfs/dbraw/zinc/16/05/74/556160574.db2.gz ULRKMFBFGSOOHS-UHFFFAOYSA-N 0 0 485.396 5.981 40 0 JKABRN O=C(CSc1nnc(COc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000016789252 556160611 /nfs/dbraw/zinc/16/06/11/556160611.db2.gz BJBZULGOHYUZFS-UHFFFAOYSA-N 0 0 485.396 5.884 40 0 JKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)cc1)c1ccccc1Cl ZINC000016789233 556160615 /nfs/dbraw/zinc/16/06/15/556160615.db2.gz TYLZKDUEJOPRCV-UHFFFAOYSA-N 0 0 474.800 6.870 40 0 JKABRN CCOc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 ZINC000016789328 556160802 /nfs/dbraw/zinc/16/08/02/556160802.db2.gz ORLVIHKYXDTFIM-UHFFFAOYSA-N 0 0 474.586 5.284 40 0 JKABRN COc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000016789405 556161038 /nfs/dbraw/zinc/16/10/38/556161038.db2.gz JARUBFCFOBUHPR-UHFFFAOYSA-N 0 0 495.004 5.548 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nnc2-c2ccccn2)cc1 ZINC000016789553 556161067 /nfs/dbraw/zinc/16/10/67/556161067.db2.gz LQFUHRWGFITLLM-UHFFFAOYSA-N 0 0 465.966 5.031 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3c(Cl)cccc3Cl)nnc2-c2ccccn2)cc1 ZINC000016789491 556161080 /nfs/dbraw/zinc/16/10/80/556161080.db2.gz JAVSOUQBEUZGPE-UHFFFAOYSA-N 0 0 470.385 5.675 40 0 JKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccc(C)cc1)c(C)c2C ZINC000016807640 556162389 /nfs/dbraw/zinc/16/23/89/556162389.db2.gz KPUINXCCWDLPHS-UHFFFAOYSA-N 0 0 460.599 6.176 40 0 JKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccc(F)cc1)c(C)c2C ZINC000016807648 556162420 /nfs/dbraw/zinc/16/24/20/556162420.db2.gz WTVPQQUKKVOTQG-UHFFFAOYSA-N 0 0 464.562 6.007 40 0 JKABRN Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@@H](Sc2ccc(C)cc2)CS1 ZINC000016807331 556162433 /nfs/dbraw/zinc/16/24/33/556162433.db2.gz UYCLCWNHDPIKGH-FPOVZHCZSA-N 0 0 450.654 6.239 40 0 JKABRN COc1cc2c(cc1NC(=O)CSc1nnc(-c3cccc(Cl)c3)n1C)oc1ccccc12 ZINC000016807934 556162760 /nfs/dbraw/zinc/16/27/60/556162760.db2.gz KZSWZUCEBWWTQR-UHFFFAOYSA-N 0 0 478.961 5.774 40 0 JKABRN COc1ccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)n2-c2ccccc2)cc1 ZINC000016807886 556162784 /nfs/dbraw/zinc/16/27/84/556162784.db2.gz UUXBJGWCDWWVIJ-UHFFFAOYSA-N 0 0 451.551 6.071 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3Cl)nnc2-c2ccncc2)cc1C ZINC000024919641 556163108 /nfs/dbraw/zinc/16/31/08/556163108.db2.gz JVMYJOIIIABQEX-UHFFFAOYSA-N 0 0 484.412 5.984 40 0 JKABRN CCc1ccc(-n2cc/c(=N\c3c(C)cccc3C)c(C(=O)Nc3c(C)cccc3C)n2)cc1 ZINC000016873023 556170571 /nfs/dbraw/zinc/17/05/71/556170571.db2.gz AWUNUZUOPCAAPQ-QCWLDUFUSA-N 0 0 450.586 6.153 40 0 JKABRN Cc1cc(C)cc(C(=O)N/C(=C(/NC(=O)c2cc(C)cc(C)c2)c2ccncc2)c2ccncc2)c1 ZINC000016940100 556180908 /nfs/dbraw/zinc/18/09/08/556180908.db2.gz DXQZOLIKURAPNH-BYYHNAKLSA-N 0 0 476.580 5.396 40 0 JKABRN Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccc(/C=C/c3ccccc3)cc1)SC(=N)N2 ZINC000016958309 556189190 /nfs/dbraw/zinc/18/91/90/556189190.db2.gz WCEDXYBMEYAOQK-WUZNFDRSSA-N 0 0 464.594 6.027 40 0 JKABRN Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000017083371 556215062 /nfs/dbraw/zinc/21/50/62/556215062.db2.gz UKHHHBQSBLZSME-WJOKGBTCSA-N 0 0 463.577 6.279 40 0 JKABRN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc3ccccc3c2)C1=O ZINC000017083394 556215064 /nfs/dbraw/zinc/21/50/64/556215064.db2.gz CDRFZIWUJJGZIN-XMMPIXPASA-N 0 0 452.348 5.210 40 0 JKABRN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3cc(Br)ccc3N(Cc3ccccc3)C2=O)cc1 ZINC000017083408 556215104 /nfs/dbraw/zinc/21/51/04/556215104.db2.gz BZDUNFOMNOPXKN-MHZLTWQESA-N 0 0 492.413 5.754 40 0 JKABRN CCCOc1cccc(C(=O)Nc2nc3ccc(NC(=O)c4cccc(OCCC)c4)cc3s2)c1 ZINC000017085806 556215697 /nfs/dbraw/zinc/21/56/97/556215697.db2.gz MUWIDCXLAYPDMT-UHFFFAOYSA-N 0 0 489.597 6.379 40 0 JKABRN O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C2CCCCC2)cc1 ZINC000013025368 556216090 /nfs/dbraw/zinc/21/60/90/556216090.db2.gz CIASVXIEMRLUDE-HHHXNRCGSA-N 0 0 471.601 6.169 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(OC)cc(OC)c2)cc1 ZINC000013025520 556216108 /nfs/dbraw/zinc/21/61/08/556216108.db2.gz QYITYYXXYFMFNN-SANMLTNESA-N 0 0 492.572 5.142 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 ZINC000013025481 556216137 /nfs/dbraw/zinc/21/61/37/556216137.db2.gz KTIWQWQPTKSJEJ-XMMPIXPASA-N 0 0 450.510 5.264 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1 ZINC000013025461 556216167 /nfs/dbraw/zinc/21/61/67/556216167.db2.gz GUSADGHZHPFYOO-HHHXNRCGSA-N 0 0 474.601 5.472 40 0 JKABRN COc1cc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000017086227 556216302 /nfs/dbraw/zinc/21/63/02/556216302.db2.gz RKAVUWQJYDNKIS-CIAFOILYSA-N 0 0 478.342 5.690 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)cc2OC)cc1 ZINC000013025530 556216332 /nfs/dbraw/zinc/21/63/32/556216332.db2.gz RTORCWTVWFXDPQ-AREMUKBSSA-N 0 0 492.572 5.142 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2OCC)cc1 ZINC000013025541 556216348 /nfs/dbraw/zinc/21/63/48/556216348.db2.gz ACJUEAMJWAUPBR-AREMUKBSSA-N 0 0 476.573 5.524 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)cc1 ZINC000013025544 556216386 /nfs/dbraw/zinc/21/63/86/556216386.db2.gz OWTLCUDKBTXMSR-AREMUKBSSA-N 0 0 460.574 5.742 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)cc2OC)cc1 ZINC000013025532 556216404 /nfs/dbraw/zinc/21/64/04/556216404.db2.gz RTORCWTVWFXDPQ-SANMLTNESA-N 0 0 492.572 5.142 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013025768 556216648 /nfs/dbraw/zinc/21/66/48/556216648.db2.gz SYMREYBGBHXCSN-XMMPIXPASA-N 0 0 450.510 5.264 40 0 JKABRN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2OCc2ccccc2)c(C)c1 ZINC000017086306 556216671 /nfs/dbraw/zinc/21/66/71/556216671.db2.gz SOZKYUIDJHFAPR-SANMLTNESA-N 0 0 465.557 5.402 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(F)(F)F)c2)c1 ZINC000013025836 556216932 /nfs/dbraw/zinc/21/69/32/556216932.db2.gz LVTZLJZCZPMEFQ-HSZRJFAPSA-N 0 0 486.490 5.754 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)c1OC ZINC000013025929 556217264 /nfs/dbraw/zinc/21/72/64/556217264.db2.gz DGLPIGRSWFZLEI-AREMUKBSSA-N 0 0 490.600 5.090 40 0 JKABRN FC(F)(F)c1cccc(/N=c2/sc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000017111373 556217292 /nfs/dbraw/zinc/21/72/92/556217292.db2.gz LHIKSWPFNXGLQL-TWKHWXDSSA-N 0 0 465.422 7.310 40 0 JKABRN CCCCC/C=C\C/C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000017110316 556217306 /nfs/dbraw/zinc/21/73/06/556217306.db2.gz GSPPFJJUCULBDC-GIVYSKNKSA-N 0 0 473.745 9.209 40 0 JKABRN CCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)cc1 ZINC000013026051 556217516 /nfs/dbraw/zinc/21/75/16/556217516.db2.gz WAELQSDFBXWIOD-VWLOTQADSA-N 0 0 476.573 5.306 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(C)c2)c1OC ZINC000013026057 556217556 /nfs/dbraw/zinc/21/75/56/556217556.db2.gz ZNAGNCIPTCMOBU-RUZDIDTESA-N 0 0 476.573 5.361 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)c1OC ZINC000013026072 556217850 /nfs/dbraw/zinc/21/78/50/556217850.db2.gz LJCQXZQXJBJQFC-VWLOTQADSA-N 0 0 476.573 5.361 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)c1OC ZINC000013026070 556217856 /nfs/dbraw/zinc/21/78/56/556217856.db2.gz LJCQXZQXJBJQFC-RUZDIDTESA-N 0 0 476.573 5.361 40 0 JKABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)cc(OC)c1OC ZINC000013026269 556217858 /nfs/dbraw/zinc/21/78/58/556217858.db2.gz RRGFUMOERCGGCX-VWLOTQADSA-N 0 0 492.572 5.061 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc3ccccc32)cc1OC ZINC000013026332 556218190 /nfs/dbraw/zinc/21/81/90/556218190.db2.gz RIBQXCBAERCKBH-NDEPHWFRSA-N 0 0 498.579 5.897 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)c2ccco2)cc1OC ZINC000013026298 556218214 /nfs/dbraw/zinc/21/82/14/556218214.db2.gz WKUJECDANMCQIC-RUZDIDTESA-N 0 0 496.991 5.393 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026414 556218435 /nfs/dbraw/zinc/21/84/35/556218435.db2.gz OHMYSWTZBBEMTQ-AREMUKBSSA-N 0 0 492.572 5.142 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)cc1OC ZINC000013026348 556218480 /nfs/dbraw/zinc/21/84/80/556218480.db2.gz PESJXOJRGASCRW-DEOSSOPVSA-N 0 0 482.964 5.397 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)c2ccco2)cc1 ZINC000013026489 556218650 /nfs/dbraw/zinc/21/86/50/556218650.db2.gz NLCQBYGKZCLINO-VWLOTQADSA-N 0 0 450.579 5.421 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)cc1OC ZINC000013026466 556218789 /nfs/dbraw/zinc/21/87/89/556218789.db2.gz SZNWLUZLFNEBAC-VWLOTQADSA-N 0 0 462.546 5.052 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)cc1 ZINC000013026535 556218935 /nfs/dbraw/zinc/21/89/35/556218935.db2.gz RGZQKQOQGIKFJZ-QHCPKHFHSA-N 0 0 452.938 5.389 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000013026609 556218942 /nfs/dbraw/zinc/21/89/42/556218942.db2.gz HUFRYQMWYJTXEE-RUZDIDTESA-N 0 0 462.546 5.134 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(Cl)ccc2OC)cc1 ZINC000013026597 556219004 /nfs/dbraw/zinc/21/90/04/556219004.db2.gz NBBFMFNIPUGDQG-XMMPIXPASA-N 0 0 482.964 5.397 40 0 JKABRN COc1ccccc1CN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(C(C)C)cc1 ZINC000013026692 556219231 /nfs/dbraw/zinc/21/92/31/556219231.db2.gz ULWKYOWAKBQTHD-HHHXNRCGSA-N 0 0 474.601 5.854 40 0 JKABRN CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 ZINC000013026675 556219278 /nfs/dbraw/zinc/21/92/78/556219278.db2.gz NIKADCQFUDGMAC-XMMPIXPASA-N 0 0 450.604 5.907 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cc(C)cc2C)cc1 ZINC000013026640 556219316 /nfs/dbraw/zinc/21/93/16/556219316.db2.gz LGTZRTOWVCVDJJ-AREMUKBSSA-N 0 0 460.574 5.660 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(OC)cc2)C(=O)c2ccco2)cc1 ZINC000013026788 556219550 /nfs/dbraw/zinc/21/95/50/556219550.db2.gz XRTSRVXMDWDBMW-AREMUKBSSA-N 0 0 460.574 5.293 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1 ZINC000013026818 556219578 /nfs/dbraw/zinc/21/95/78/556219578.db2.gz OSPGWFZLCYHSQX-AREMUKBSSA-N 0 0 458.558 5.492 40 0 JKABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c(OC)c1 ZINC000013026930 556219836 /nfs/dbraw/zinc/21/98/36/556219836.db2.gz WFHKHWVOJFSOQA-RUZDIDTESA-N 0 0 462.546 5.052 40 0 JKABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC ZINC000013026927 556219858 /nfs/dbraw/zinc/21/98/58/556219858.db2.gz FBTOXMWMSKHJAO-VWLOTQADSA-N 0 0 462.546 5.052 40 0 JKABRN C[C@@H]1CCCCN1C(=O)CSc1nc(CCc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000013027858 556221026 /nfs/dbraw/zinc/22/10/26/556221026.db2.gz GEQMLHGHZOEKNA-GOSISDBHSA-N 0 0 465.688 5.848 40 0 JKABRN COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000025575449 556222566 /nfs/dbraw/zinc/22/25/66/556222566.db2.gz XUYWHPLJOIXBAC-BJKOFHAPSA-N 0 0 477.351 5.806 40 0 JKABRN COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000025575438 556222577 /nfs/dbraw/zinc/22/25/77/556222577.db2.gz XUYWHPLJOIXBAC-DNQXCXABSA-N 0 0 477.351 5.806 40 0 JKABRN CC(=O)Oc1c2cc(Br)ccc2c(OC(C)=O)c(OC(C)=O)c1C/C=C\c1ccccc1 ZINC000017156373 556229028 /nfs/dbraw/zinc/22/90/28/556229028.db2.gz JSJPQAVTYZDIIJ-YFHOEESVSA-N 0 0 497.341 5.634 40 0 JKABRN CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(C)=O)C(=O)OCCCCCC ZINC000025725556 556231481 /nfs/dbraw/zinc/23/14/81/556231481.db2.gz TUUQISRYLMFKOG-UHFFFAOYSA-N 0 0 486.646 5.439 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C(=O)N1CCCC1 ZINC000026114873 556245442 /nfs/dbraw/zinc/24/54/42/556245442.db2.gz PKLDGMMBUZBESQ-UHFFFAOYSA-N 0 0 498.695 5.738 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C(=O)N1CCCCC1 ZINC000026115875 556245994 /nfs/dbraw/zinc/24/59/94/556245994.db2.gz AHNNQCHUEGJMDC-UHFFFAOYSA-N 0 0 459.420 5.142 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000026115840 556246051 /nfs/dbraw/zinc/24/60/51/556246051.db2.gz REEIMZLZJRVIQB-UHFFFAOYSA-N 0 0 459.420 5.142 40 0 JKABRN COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCCCC[C@@H]4[C@@H]3C2=O)cc1 ZINC000017248539 556247483 /nfs/dbraw/zinc/24/74/83/556247483.db2.gz NXBKXOJXZYWTER-RGXZNCPUSA-N 0 0 470.613 6.688 40 0 JKABRN CCOC(=O)O/C(=C/c1ccc(OC)cc1)c1c2ccccc2n(C(=O)OCC)c1OC(=O)OCC ZINC000017250668 556247912 /nfs/dbraw/zinc/24/79/12/556247912.db2.gz MWLIAWYPZMNZEM-LTGZKZEYSA-N 0 0 497.500 5.861 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026119093 556248265 /nfs/dbraw/zinc/24/82/65/556248265.db2.gz BFLAKWSNEWVISP-UHFFFAOYSA-N 0 0 472.554 5.100 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)N1CCCCCC1 ZINC000026119737 556248497 /nfs/dbraw/zinc/24/84/97/556248497.db2.gz IRJSMDNNQVTXNJ-UHFFFAOYSA-N 0 0 472.554 5.244 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C(=O)N1CCCCCC1 ZINC000026120015 556248856 /nfs/dbraw/zinc/24/88/56/556248856.db2.gz CLLVDJGGDSPYIT-UHFFFAOYSA-N 0 0 453.029 5.187 40 0 JKABRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccc2c(Br)cccc12 ZINC000026124127 556249405 /nfs/dbraw/zinc/24/94/05/556249405.db2.gz GIBRCORAFNCPJK-UHFFFAOYSA-N 0 0 461.294 5.728 40 0 JKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000026124231 556249867 /nfs/dbraw/zinc/24/98/67/556249867.db2.gz WPZCQUTVWPWZHC-UHFFFAOYSA-N 0 0 463.324 6.548 40 0 JKABRN CCCCCn1c2nnc(SCc3cc(-c4ccccc4OC)no3)n2c2ccccc2c1=O ZINC000026238506 556251052 /nfs/dbraw/zinc/25/10/52/556251052.db2.gz CTZAPPPYTSYODV-UHFFFAOYSA-N 0 0 475.574 5.190 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N2C(=N1)SC[C@@]2(O)N(c1ccccc1)C(C)C ZINC000026570642 556257098 /nfs/dbraw/zinc/25/70/98/556257098.db2.gz AECAFTBYXLTOEZ-GGXMVOPNSA-N 0 0 498.652 5.620 40 0 JKABRN CCCCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000026580379 556257524 /nfs/dbraw/zinc/25/75/24/556257524.db2.gz UHMZYXWSOJTWSZ-CPNJWEJPSA-N 0 0 487.596 6.663 40 0 JKABRN O=c1/c(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)sc2nc3ccccc3n12 ZINC000026712833 556259876 /nfs/dbraw/zinc/25/98/76/556259876.db2.gz UHDOKJROIDCRPF-NHDPSOOVSA-N 0 0 453.350 5.343 40 0 JKABRN CCOC(=O)c1ccc(N[C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000026770778 556260539 /nfs/dbraw/zinc/26/05/39/556260539.db2.gz UUDJMUDKUFJFQT-SANMLTNESA-N 0 0 484.621 6.995 40 0 JKABRN CCOc1ccc(N[C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000026770768 556260593 /nfs/dbraw/zinc/26/05/93/556260593.db2.gz NZWRAGLGWKQGHF-SANMLTNESA-N 0 0 456.611 7.217 40 0 JKABRN CC(=O)Nc1ccc(N[C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000026770776 556260598 /nfs/dbraw/zinc/26/05/98/556260598.db2.gz PLLHMWIKNINYOH-AREMUKBSSA-N 0 0 469.610 6.777 40 0 JKABRN CCOc1ccc([C@@H](Nc2ccccc2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000026770846 556260830 /nfs/dbraw/zinc/26/08/30/556260830.db2.gz XEAIADYTSBXHOL-AREMUKBSSA-N 0 0 456.611 7.217 40 0 JKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2C(F)(F)F)c2cccnc2)c1C ZINC000026770931 556260835 /nfs/dbraw/zinc/26/08/35/556260835.db2.gz YNUYOOULYPCZJA-QHCPKHFHSA-N 0 0 481.543 7.233 40 0 JKABRN O=C([C@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000017467081 556261351 /nfs/dbraw/zinc/26/13/51/556261351.db2.gz VAWYUBMNOIEYHT-VIZSFHNOSA-N 0 0 490.865 5.079 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064804 556262919 /nfs/dbraw/zinc/26/29/19/556262919.db2.gz CWFDLWOYDJOKCW-AREMUKBSSA-N 0 0 486.664 5.473 40 0 JKABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064883 556263247 /nfs/dbraw/zinc/26/32/47/556263247.db2.gz LNNXXMFCKHQIAS-SANMLTNESA-N 0 0 470.621 5.076 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065054 556263365 /nfs/dbraw/zinc/26/33/65/556263365.db2.gz ABTBSANQSGNFSY-HHHXNRCGSA-N 0 0 498.675 5.833 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCCC1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065211 556263647 /nfs/dbraw/zinc/26/36/47/556263647.db2.gz DJPVWYMMIHLOOM-MHZLTWQESA-N 0 0 498.675 5.833 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065195 556263732 /nfs/dbraw/zinc/26/37/32/556263732.db2.gz OTGLNTQNRNZNFG-SANMLTNESA-N 0 0 484.648 5.443 40 0 JKABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065113 556263764 /nfs/dbraw/zinc/26/37/64/556263764.db2.gz NAPNRVGWOBQSMO-VWLOTQADSA-N 0 0 488.611 5.215 40 0 JKABRN CC[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@H](C(C)(C)C)C3 ZINC000013065335 556264079 /nfs/dbraw/zinc/26/40/79/556264079.db2.gz HOOKQDJPIZGWKB-ROUUACIJSA-N 0 0 471.736 6.603 40 0 JKABRN CC[C@@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@H](C(C)(C)C)C3 ZINC000013065334 556264138 /nfs/dbraw/zinc/26/41/38/556264138.db2.gz HOOKQDJPIZGWKB-ZWKOTPCHSA-N 0 0 471.736 6.603 40 0 JKABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017887969 556270003 /nfs/dbraw/zinc/27/00/03/556270003.db2.gz GZLGLBXVRQSDAT-URVUXULASA-N 0 0 453.325 5.353 40 0 JKABRN O=c1/c(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000027061708 556273085 /nfs/dbraw/zinc/27/30/85/556273085.db2.gz HJBMIWSHMMZAHM-VCHYOVAHSA-N 0 0 474.756 5.586 40 0 JKABRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(C(C)C)cc4)c(=O)n31)c1ccccc1CC2 ZINC000027095056 556273829 /nfs/dbraw/zinc/27/38/29/556273829.db2.gz MCEBJYORIPFKJQ-PQRKSKNISA-N 0 0 492.644 5.451 40 0 JKABRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(C(C)C)cc4)c(=O)n31)c1ccccc1CC2 ZINC000027095064 556273837 /nfs/dbraw/zinc/27/38/37/556273837.db2.gz MCEBJYORIPFKJQ-NNAGEYCMSA-N 0 0 492.644 5.451 40 0 JKABRN C[C@H]1CC[C@H]2C(=O)N(c3ccc(OCC(=O)c4ccc(-c5ccccc5)cc4)cc3)C(=O)[C@@H]2C1 ZINC000017987327 556274213 /nfs/dbraw/zinc/27/42/13/556274213.db2.gz GNMIVZXQCOWFFO-AFWDCEBSSA-N 0 0 453.538 5.541 40 0 JKABRN Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@H](c5ccccc5)C[C@@H]4C3=O)c2)cc1C ZINC000017988802 556274347 /nfs/dbraw/zinc/27/43/47/556274347.db2.gz KAEGWTLQBQGRIQ-NYMACZPPSA-N 0 0 453.538 5.596 40 0 JKABRN Cc1cc(-c2ccc(NC(=O)/C=C\c3ccccc3)c(C)c2)ccc1NC(=O)/C=C/c1ccccc1 ZINC000017992452 556274745 /nfs/dbraw/zinc/27/47/45/556274745.db2.gz GBHWHWOJKCQCEM-LRVMPXQBSA-N 0 0 472.588 7.274 40 0 JKABRN COc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)Nc2cc(C)ccc2OC)c(OC)c1 ZINC000027232099 556275399 /nfs/dbraw/zinc/27/53/99/556275399.db2.gz QHTDJDKTKVVONT-UHFFFAOYSA-N 0 0 458.518 5.518 40 0 JKABRN CCC1(CC)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@@H](C(O)(c2ccccc2)c2ccccc2)O1 ZINC000018006575 556275404 /nfs/dbraw/zinc/27/54/04/556275404.db2.gz ORLJVZOBJPDPLU-RNPORBBMSA-N 0 0 494.631 6.159 40 0 JKABRN O=C(Nc1cccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1)N1CC[C@H](c2ccccc2)C1 ZINC000018011512 556276170 /nfs/dbraw/zinc/27/61/70/556276170.db2.gz LFHWTGRFELLXLW-PSWAGMNNSA-N 0 0 454.574 5.729 40 0 JKABRN CCc1ccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018024753 556277685 /nfs/dbraw/zinc/27/76/85/556277685.db2.gz VQZSFLRIFPUOGK-GIWBLDEGSA-N 0 0 467.352 5.607 40 0 JKABRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4Cl)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000018033758 556278337 /nfs/dbraw/zinc/27/83/37/556278337.db2.gz GXUHEPJLCPFTAK-FSSWDIPSSA-N 0 0 469.324 5.053 40 0 JKABRN O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013083049 556278712 /nfs/dbraw/zinc/27/87/12/556278712.db2.gz RTWHAHHUUABKJM-UHFFFAOYSA-N 0 0 469.532 5.732 40 0 JKABRN 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O=C(Cc1ccc(F)cc1)OCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000013095558 556288004 /nfs/dbraw/zinc/28/80/04/556288004.db2.gz MCHIGPVDIFZMFE-HJVREOQYSA-N 0 0 482.555 5.735 40 0 JKABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1Cl ZINC000018106844 556288471 /nfs/dbraw/zinc/28/84/71/556288471.db2.gz ONSLCKWIYPZTSG-FKBYEOEOSA-N 0 0 453.325 5.353 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(CC)cc3)C2=O)cc1 ZINC000018118936 556289894 /nfs/dbraw/zinc/28/98/94/556289894.db2.gz ZFEIGZFMWSEKRO-CYXNTTPDSA-N 0 0 456.542 5.089 40 0 JKABRN COc1cccc(CC(=O)OCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)c1 ZINC000013097029 556292683 /nfs/dbraw/zinc/29/26/83/556292683.db2.gz WGNFHYMJXSCACE-MHUSFNTQSA-N 0 0 494.591 5.604 40 0 JKABRN CCCOc1ccc(-c2csc(NC(=O)COc3ccc(CCC)cc3)c2C(=O)OC)cc1 ZINC000027563896 556297440 /nfs/dbraw/zinc/29/74/40/556297440.db2.gz CWVHVQHHZQYDBB-UHFFFAOYSA-N 0 0 467.587 5.961 40 0 JKABRN 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556308566 /nfs/dbraw/zinc/30/85/66/556308566.db2.gz YLLSESIVVAUZFT-UHFFFAOYSA-N 0 0 490.740 6.287 40 0 JKABRN O=C(COc1ccc(Cl)cc1)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000027842067 556309041 /nfs/dbraw/zinc/30/90/41/556309041.db2.gz GVVVOZSISBMJND-UHFFFAOYSA-N 0 0 453.976 5.509 40 0 JKABRN CCCCOc1ccc([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1OC ZINC000018206434 556310159 /nfs/dbraw/zinc/31/01/59/556310159.db2.gz GXPWKMBLSASAPE-PVHODMMVSA-N 0 0 486.568 5.234 40 0 JKABRN O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000027915215 556310174 /nfs/dbraw/zinc/31/01/74/556310174.db2.gz JPORPLHSPNGXOG-UHFFFAOYSA-N 0 0 450.343 5.160 40 0 JKABRN O=C(Oc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)[C@@H]3C[C@H](c4ccccc4)CC[C@@H]3C2=O)c1 ZINC000018244600 556314716 /nfs/dbraw/zinc/31/47/16/556314716.db2.gz CSIIJKOWRCATDR-VOQZNFBZSA-N 0 0 494.374 6.286 40 0 JKABRN COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(O)c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000028066360 556315648 /nfs/dbraw/zinc/31/56/48/556315648.db2.gz 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COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1Cl ZINC000028208778 556319245 /nfs/dbraw/zinc/31/92/45/556319245.db2.gz OXOCLLDOBKZKQE-UHFFFAOYSA-N 0 0 485.005 5.061 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccc(Cl)cc1 ZINC000028208727 556319268 /nfs/dbraw/zinc/31/92/68/556319268.db2.gz DRGHCRGEWSVOTG-UHFFFAOYSA-N 0 0 454.979 5.053 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4ccc(C)cc4)cc3c2)cc1OC ZINC000028208930 556319520 /nfs/dbraw/zinc/31/95/20/556319520.db2.gz FVFBIFMKNWWEFU-UHFFFAOYSA-N 0 0 496.610 5.304 40 0 JKABRN CN(c1ccc2sc(C(=O)Nc3ccc(F)cc3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209094 556319729 /nfs/dbraw/zinc/31/97/29/556319729.db2.gz VIGCNLBGKUXICZ-UHFFFAOYSA-N 0 0 458.511 5.257 40 0 JKABRN CN(c1ccc2sc(C(=O)Nc3ccc(Cl)cc3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209100 556319768 /nfs/dbraw/zinc/31/97/68/556319768.db2.gz YFJDXXYDGAQXDE-UHFFFAOYSA-N 0 0 474.966 5.771 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)cc1 ZINC000028209070 556319770 /nfs/dbraw/zinc/31/97/70/556319770.db2.gz ZISUULCXAUCKTR-UHFFFAOYSA-N 0 0 454.548 5.426 40 0 JKABRN CCCN(c1ccc2sc(C(=O)NC3CCCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209232 556320138 /nfs/dbraw/zinc/32/01/38/556320138.db2.gz MYWIQVRZLSIAQK-UHFFFAOYSA-N 0 0 470.660 5.878 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccc(C)c(C)c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209275 556320411 /nfs/dbraw/zinc/32/04/11/556320411.db2.gz FWFQZSUTWPSOMT-UHFFFAOYSA-N 0 0 492.666 6.684 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccccc3C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209260 556320420 /nfs/dbraw/zinc/32/04/20/556320420.db2.gz HQYPPFCVDHCZSD-UHFFFAOYSA-N 0 0 478.639 6.376 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3cc(C)cc(C)c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209277 556320476 /nfs/dbraw/zinc/32/04/76/556320476.db2.gz QOLCWAXTKJWDBO-UHFFFAOYSA-N 0 0 492.666 6.684 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccc(F)cc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209290 556320500 /nfs/dbraw/zinc/32/05/00/556320500.db2.gz PRWGLWCVDVOKDY-UHFFFAOYSA-N 0 0 482.602 6.206 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccccc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209259 556320507 /nfs/dbraw/zinc/32/05/07/556320507.db2.gz ZOTCYYHATZPMQL-UHFFFAOYSA-N 0 0 464.612 6.067 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccc(C)cc3C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209268 556320515 /nfs/dbraw/zinc/32/05/15/556320515.db2.gz GBIYQEJCFCOPEH-UHFFFAOYSA-N 0 0 492.666 6.684 40 0 JKABRN CCCN(c1ccc2sc(C(=O)N3CCCCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209339 556320531 /nfs/dbraw/zinc/32/05/31/556320531.db2.gz IXEPKLJOXMVGEC-UHFFFAOYSA-N 0 0 470.660 5.831 40 0 JKABRN CCCN(c1ccc2sc(C(=O)NC3CCCCCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209370 556320691 /nfs/dbraw/zinc/32/06/91/556320691.db2.gz SDVYEZZGRBKIJV-UHFFFAOYSA-N 0 0 498.714 6.658 40 0 JKABRN CCC[C@@H](C)NC(=O)c1cc2cc(N(CCC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000028209355 556320724 /nfs/dbraw/zinc/32/07/24/556320724.db2.gz XYEUBKKLOLMZFW-GOSISDBHSA-N 0 0 458.649 5.733 40 0 JKABRN COc1cc(-c2cs/c(=N\c3cc(C)ccc3C)n2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000013117131 556325523 /nfs/dbraw/zinc/32/55/23/556325523.db2.gz XXFXHJIXUOVPLZ-FJLSXJCYSA-N 0 0 454.592 5.271 40 0 JKABRN O=C(Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000019014983 556327015 /nfs/dbraw/zinc/32/70/15/556327015.db2.gz QBJGGVXGJQRXKF-UHFFFAOYSA-N 0 0 461.348 7.224 40 0 JKABRN CC1(C)C[C@H](NC(=O)Nc2cc(F)ccc2F)C[C@@](C)(CNC(=O)Nc2cc(F)ccc2F)C1 ZINC000019075184 556327588 /nfs/dbraw/zinc/32/75/88/556327588.db2.gz XZCPTCLHKJVFBN-UPCLLVRISA-N 0 0 480.506 5.771 40 0 JKABRN CC1(C)C[C@@H](NC(=O)Nc2cc(F)ccc2F)C[C@@](C)(CNC(=O)Nc2cc(F)ccc2F)C1 ZINC000019075182 556327604 /nfs/dbraw/zinc/32/76/04/556327604.db2.gz XZCPTCLHKJVFBN-VOIUYBSRSA-N 0 0 480.506 5.771 40 0 JKABRN CC1(C)C[C@@H](NC(=O)Nc2ccc(F)c(F)c2)C[C@](C)(CNC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000019075178 556327647 /nfs/dbraw/zinc/32/76/47/556327647.db2.gz SGINSIHQRSVHST-GYCJOSAFSA-N 0 0 480.506 5.771 40 0 JKABRN 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556332341 /nfs/dbraw/zinc/33/23/41/556332341.db2.gz GFXRVAXDFLHPLF-UHFFFAOYSA-N 0 0 465.966 5.112 40 0 JKABRN COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)cc1OC ZINC000028405367 556332994 /nfs/dbraw/zinc/33/29/94/556332994.db2.gz CHSGFRVZGJDKHM-WHSBFGAESA-N 0 0 474.988 6.011 40 0 JKABRN O=C1C[C@@H](c2ccc(Br)cc2)N[C@H](c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000019201783 556333477 /nfs/dbraw/zinc/33/34/77/556333477.db2.gz GWXVHIWWZSJFAP-ACIOBRDBSA-N 0 0 485.219 6.340 40 0 JKABRN COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000028527501 556334810 /nfs/dbraw/zinc/33/48/10/556334810.db2.gz BQNNCTLFPZJBQZ-UHFFFAOYSA-N 0 0 460.365 5.559 40 0 JKABRN Nc1nn(CC(=O)c2c(Cl)cc(Cl)cc2Cl)c(=S)n1Nc1ccc(Cl)cc1 ZINC000028527658 556334900 /nfs/dbraw/zinc/33/49/00/556334900.db2.gz MDAVJSAOACWVNA-UHFFFAOYSA-N 0 0 463.177 5.368 40 0 JKABRN CN(C(=O)COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 ZINC000028539629 556335597 /nfs/dbraw/zinc/33/55/97/556335597.db2.gz GASOMHAHAOJBNV-UHFFFAOYSA-N 0 0 473.532 5.784 40 0 JKABRN CC(C)c1nnc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)s1 ZINC000028539371 556335621 /nfs/dbraw/zinc/33/56/21/556335621.db2.gz SOCFMBIYIOYKAV-UHFFFAOYSA-N 0 0 451.555 6.191 40 0 JKABRN C[C@H](NC(=O)COc1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21)c1ccco1 ZINC000028616778 556337186 /nfs/dbraw/zinc/33/71/86/556337186.db2.gz KPCRDEWRZRWIDE-INIZCTEOSA-N 0 0 482.631 5.255 40 0 JKABRN Cc1cccc(C)c1NC(=O)COc1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC000028616774 556337247 /nfs/dbraw/zinc/33/72/47/556337247.db2.gz ASLUXYIWOPVHEM-UHFFFAOYSA-N 0 0 492.670 6.040 40 0 JKABRN Cc1cccc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000019236497 556337377 /nfs/dbraw/zinc/33/73/77/556337377.db2.gz FSGMXJQPRRSAIU-HHHXNRCGSA-N 0 0 496.615 5.058 40 0 aggregator JKABRN Cc1cc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3CCC(C)C)c(C)c2)ccc1NC(=O)[C@@H]1C[C@@H]1CCC(C)C ZINC000028632162 556338691 /nfs/dbraw/zinc/33/86/91/556338691.db2.gz OURJVHFOIBGXMC-YVHASNINSA-N 0 0 488.716 7.992 40 0 JKABRN CCOc1ccc(Cl)cc1C1N(Cc2ccc(OC)cc2)CCCN1Cc1ccc(OC)cc1 ZINC000019326422 556341711 /nfs/dbraw/zinc/34/17/11/556341711.db2.gz TXPBAEIHIZCJSG-UHFFFAOYSA-N 0 0 481.036 6.163 40 0 JKABRN COc1ccc(Cl)cc1/C=C/C1N(Cc2ccccc2OC)CCCN1Cc1ccccc1OC ZINC000019326860 556341744 /nfs/dbraw/zinc/34/17/44/556341744.db2.gz QVCOBYUZCCEMSB-DTQAZKPQSA-N 0 0 493.047 6.113 40 0 JKABRN COc1ccc(C2C(C(=O)OCc3ccccc3)=C(C)NC(C)=C2C(=O)OCc2ccccc2)cc1 ZINC000019419195 556347891 /nfs/dbraw/zinc/34/78/91/556347891.db2.gz COWYCFKHTQEGNQ-UHFFFAOYSA-N 0 0 483.564 5.417 40 0 JKABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N(CC)Cc3ccccc3)cc2c1 ZINC000019522962 556351068 /nfs/dbraw/zinc/35/10/68/556351068.db2.gz FYTROPUAMZBYEV-SANMLTNESA-N 0 0 470.621 5.194 40 0 JKABRN COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1OC(F)F ZINC000013130403 556355493 /nfs/dbraw/zinc/35/54/93/556355493.db2.gz YGQYSPGOEOPZMG-WRQQAGDVSA-N 0 0 488.314 5.426 40 0 JKABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccc(C(F)(F)F)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000019594045 556356050 /nfs/dbraw/zinc/35/60/50/556356050.db2.gz CCFOOZNLEUNUFN-UHFFFAOYSA-N 0 0 453.501 5.624 40 0 JKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000019677663 556359369 /nfs/dbraw/zinc/35/93/69/556359369.db2.gz SVVPRZSHZHMJFE-UHFFFAOYSA-N 0 0 479.374 5.732 40 0 JKABRN CCN(CCNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000019691135 556360153 /nfs/dbraw/zinc/36/01/53/556360153.db2.gz OGSROOYNICWTIA-UHFFFAOYSA-N 0 0 464.180 5.976 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2Cl)CC1 ZINC000019691028 556360186 /nfs/dbraw/zinc/36/01/86/556360186.db2.gz QGTUNKVPHQEJOD-UHFFFAOYSA-N 0 0 454.785 5.204 40 0 JKABRN CCCC[C@@](CC)(CCCNC(=O)c1cccc(Cl)c1)CNC(=O)c1cccc(Cl)c1 ZINC000019691106 556360283 /nfs/dbraw/zinc/36/02/83/556360283.db2.gz BJWSIAHLKLNBED-VWLOTQADSA-N 0 0 463.449 6.520 40 0 JKABRN CCCC[C@](CC)(CCCNC(=O)c1cccc(Cl)c1)CNC(=O)c1cccc(Cl)c1 ZINC000019691108 556360328 /nfs/dbraw/zinc/36/03/28/556360328.db2.gz BJWSIAHLKLNBED-RUZDIDTESA-N 0 0 463.449 6.520 40 0 JKABRN COC(=O)[C@@H]1SC(c2ccccc2)=C(c2ccccc2)[C@H]2C1C(=O)C(=O)N2c1ccc(OC)cc1 ZINC000019691714 556360680 /nfs/dbraw/zinc/36/06/80/556360680.db2.gz ODGADODKEQKLQK-JYFHCDHNSA-N 0 0 485.561 5.079 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000030751724 556371251 /nfs/dbraw/zinc/37/12/51/556371251.db2.gz NVPJWSJLZZLYDT-FQEVSTJZSA-N 0 0 466.603 5.302 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000030752963 556371846 /nfs/dbraw/zinc/37/18/46/556371846.db2.gz MOAVWSWBFHXLCS-UHFFFAOYSA-N 0 0 489.641 5.066 40 0 JKABRN COc1ccc(OCCCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000030754088 556372178 /nfs/dbraw/zinc/37/21/78/556372178.db2.gz BFIOZWUTVLJSGJ-UHFFFAOYSA-N 0 0 460.574 6.043 40 0 JKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1C ZINC000030754152 556372253 /nfs/dbraw/zinc/37/22/53/556372253.db2.gz OLZIWHUAWSYYTI-QGZVFWFLSA-N 0 0 458.967 5.164 40 0 JKABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000030754442 556372570 /nfs/dbraw/zinc/37/25/70/556372570.db2.gz MQLGEDIPNIITTQ-NRFANRHFSA-N 0 0 458.967 5.245 40 0 JKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030755286 556372825 /nfs/dbraw/zinc/37/28/25/556372825.db2.gz XVLPBIVDRZYNTO-UHFFFAOYSA-N 0 0 455.750 5.700 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 ZINC000030757534 556373544 /nfs/dbraw/zinc/37/35/44/556373544.db2.gz CLQYLLWFXXXOPL-NRFANRHFSA-N 0 0 450.604 5.069 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)cc2Cl)cc1 ZINC000030757094 556373648 /nfs/dbraw/zinc/37/36/48/556373648.db2.gz PTTNBWSVRAKUAJ-SFHVURJKSA-N 0 0 456.995 5.557 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c2ccccc2)cc1 ZINC000030758232 556373902 /nfs/dbraw/zinc/37/39/02/556373902.db2.gz JLZBPHUBWPEDQG-RUZDIDTESA-N 0 0 476.623 5.401 40 0 JKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000030848220 556376114 /nfs/dbraw/zinc/37/61/14/556376114.db2.gz JSTACEBRALGRAY-UHFFFAOYSA-N 0 0 455.750 5.700 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000030848704 556376448 /nfs/dbraw/zinc/37/64/48/556376448.db2.gz VUCZSQPQVGQZFQ-UHFFFAOYSA-N 0 0 458.583 6.190 40 0 JKABRN COc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1OC ZINC000030848661 556376582 /nfs/dbraw/zinc/37/65/82/556376582.db2.gz XCQWRMRXUPINMV-GDJIYFAZSA-N 0 0 490.625 5.012 40 0 JKABRN COc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1OC ZINC000030848670 556376617 /nfs/dbraw/zinc/37/66/17/556376617.db2.gz XCQWRMRXUPINMV-WHLCRQNOSA-N 0 0 490.625 5.012 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Br)c3)c(Cl)c2)cc1 ZINC000030849400 556376743 /nfs/dbraw/zinc/37/67/43/556376743.db2.gz LHSMCKRKWYLYSJ-UHFFFAOYSA-N 0 0 479.783 5.464 40 0 JKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000030849661 556376812 /nfs/dbraw/zinc/37/68/12/556376812.db2.gz WMJGNDPWPONZMG-HNNXBMFYSA-N 0 0 493.412 5.763 40 0 JKABRN Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000030849563 556376827 /nfs/dbraw/zinc/37/68/27/556376827.db2.gz BBNIBRFNMHGABO-UHFFFAOYSA-N 0 0 496.938 5.958 40 0 JKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000030851490 556377515 /nfs/dbraw/zinc/37/75/15/556377515.db2.gz BNUITTXWHOESLZ-UHFFFAOYSA-N 0 0 451.419 5.882 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)c(C)c1 ZINC000030852723 556378201 /nfs/dbraw/zinc/37/82/01/556378201.db2.gz UFUCCAMAVYMXEE-NRFANRHFSA-N 0 0 450.604 5.521 40 0 JKABRN CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000030853678 556378986 /nfs/dbraw/zinc/37/89/86/556378986.db2.gz YUUIIAMTCGUZKF-UHFFFAOYSA-N 0 0 454.617 5.777 40 0 JKABRN CCc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000030853608 556379031 /nfs/dbraw/zinc/37/90/31/556379031.db2.gz BSJRZJXHSWWNJF-SSEXGKCCSA-N 0 0 498.648 5.659 40 0 JKABRN O=C(Nc1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030854638 556379410 /nfs/dbraw/zinc/37/94/10/556379410.db2.gz GKQYKUMGBQUWFA-UHFFFAOYSA-N 0 0 454.857 5.412 40 0 JKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000030855421 556379717 /nfs/dbraw/zinc/37/97/17/556379717.db2.gz NXEGOLZSZJVXRT-HNNXBMFYSA-N 0 0 493.412 5.763 40 0 JKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000030855424 556379865 /nfs/dbraw/zinc/37/98/65/556379865.db2.gz NXEGOLZSZJVXRT-OAHLLOKOSA-N 0 0 493.412 5.763 40 0 JKABRN O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000030856419 556380110 /nfs/dbraw/zinc/38/01/10/556380110.db2.gz WPQUQTSFJNMSOQ-UHFFFAOYSA-N 0 0 499.416 5.805 40 0 JKABRN O=S(=O)(NCCSCc1c(F)cccc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000030856476 556380164 /nfs/dbraw/zinc/38/01/64/556380164.db2.gz HQRJODRGMJBZHZ-UHFFFAOYSA-N 0 0 451.972 5.483 40 0 JKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1c(F)cccc1Cl ZINC000030856044 556380178 /nfs/dbraw/zinc/38/01/78/556380178.db2.gz AYXAZZGQNQBTDM-UHFFFAOYSA-N 0 0 452.831 6.069 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)cc2)S(C)(=O)=O)c1 ZINC000030860961 556381436 /nfs/dbraw/zinc/38/14/36/556381436.db2.gz MOYRBOZAHVRLKC-GDLZYMKVSA-N 0 0 498.648 5.789 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c(C)c1 ZINC000030863380 556382400 /nfs/dbraw/zinc/38/24/00/556382400.db2.gz IUIZJUBMYRGVPE-UHFFFAOYSA-N 0 0 486.977 5.187 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1)c1ccc(OC)cc1 ZINC000030863025 556382411 /nfs/dbraw/zinc/38/24/11/556382411.db2.gz ZLAUUCARMLUKHI-XMMPIXPASA-N 0 0 466.603 5.302 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCSCc3ccccc3C)c2)cc1 ZINC000030862746 556382530 /nfs/dbraw/zinc/38/25/30/556382530.db2.gz SPFILLXTRWYOTN-UHFFFAOYSA-N 0 0 489.062 5.421 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)cc1 ZINC000030864240 556382760 /nfs/dbraw/zinc/38/27/60/556382760.db2.gz BRMSZMKQYCRJEB-RUZDIDTESA-N 0 0 450.604 5.621 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)cc1 ZINC000030864246 556382936 /nfs/dbraw/zinc/38/29/36/556382936.db2.gz BRMSZMKQYCRJEB-VWLOTQADSA-N 0 0 450.604 5.621 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2Cl)cc1 ZINC000030865534 556383052 /nfs/dbraw/zinc/38/30/52/556383052.db2.gz GYTNUBHBHMKGTJ-SFHVURJKSA-N 0 0 456.995 5.200 40 0 JKABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc6ccccc65)nc4nc3C2)cc1OC ZINC000019816510 556383129 /nfs/dbraw/zinc/38/31/29/556383129.db2.gz KJRZESZDANTNEU-FQEVSTJZSA-N 0 0 496.592 5.500 40 0 JKABRN CCOc1cccc2c(C)nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[nH]3)nc12 ZINC000019817385 556383387 /nfs/dbraw/zinc/38/33/87/556383387.db2.gz VCWIDESRHVSGCF-UHFFFAOYSA-N 0 0 476.587 5.066 40 0 JKABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc6ccccc65)nc4nc3C2)c(OC)c1 ZINC000019816917 556383524 /nfs/dbraw/zinc/38/35/24/556383524.db2.gz GWLMEDFHOASTMU-IBGZPJMESA-N 0 0 496.592 5.500 40 0 JKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000030868580 556384117 /nfs/dbraw/zinc/38/41/17/556384117.db2.gz AWECYOJFODBCJT-INIZCTEOSA-N 0 0 458.967 5.109 40 0 JKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1)c1ccc(C)cc1 ZINC000030868882 556384130 /nfs/dbraw/zinc/38/41/30/556384130.db2.gz YMXAPHHJNPDCMM-DEOSSOPVSA-N 0 0 450.604 5.602 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030869192 556384556 /nfs/dbraw/zinc/38/45/56/556384556.db2.gz AAXXALPZJKBDCD-QRWLVFNGSA-N 0 0 487.449 5.060 40 0 JKABRN COc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1Cl ZINC000030870020 556384731 /nfs/dbraw/zinc/38/47/31/556384731.db2.gz LHGLYHBADKBKKS-UHFFFAOYSA-N 0 0 451.331 5.055 40 0 JKABRN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC000030870262 556384801 /nfs/dbraw/zinc/38/48/01/556384801.db2.gz 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467.612 7.459 40 0 JKABRN CC(C)c1cc2nc(-c3ccc(Br)cc3Br)oc2c(Br)c1 ZINC000073638210 569704540 /nfs/dbraw/zinc/70/45/40/569704540.db2.gz CPQDGSFJUBUHJM-UHFFFAOYSA-N 0 0 473.990 6.906 40 0 JKABRN O=C([O-])[C@@H](c1ccccc1)[N@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1cccc(F)c1 ZINC000073633185 569704579 /nfs/dbraw/zinc/70/45/79/569704579.db2.gz LFLXAXZXPKDMOL-MUUNZHRXSA-N 0 0 455.529 6.233 40 0 JKABRN Cc1cc2nc(-c3ccc(Br)cc3Br)oc2c(Br)c1C ZINC000073638203 569704589 /nfs/dbraw/zinc/70/45/89/569704589.db2.gz LQPLZPKTVLRMNW-UHFFFAOYSA-N 0 0 459.963 6.399 40 0 JKABRN CCc1c2oc(-c3ccc(Cl)cc3Cl)nc2c(Br)c(N)c1Br ZINC000073642744 569704705 /nfs/dbraw/zinc/70/47/05/569704705.db2.gz KUFLXEXQUDCKIZ-UHFFFAOYSA-N 0 0 464.972 6.471 40 0 JKABRN CCc1c2oc(-c3ccc(Br)cc3)nc2c(Br)c(N)c1Br ZINC000073642717 569704717 /nfs/dbraw/zinc/70/47/17/569704717.db2.gz PMNFLBGAAVAGEP-UHFFFAOYSA-N 0 0 474.978 5.927 40 0 JKABRN c1ccc(COc2ccc(OCCCCCCOc3ccc(OCc4ccccc4)cc3)cc2)cc1 ZINC000035585963 569705060 /nfs/dbraw/zinc/70/50/60/569705060.db2.gz MCWUXGPZHLVYIN-UHFFFAOYSA-N 0 0 482.620 7.863 40 0 JKABRN O=C(NCCCCCCNC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000035585788 569705071 /nfs/dbraw/zinc/70/50/71/569705071.db2.gz CJVKIEUUZVTILK-UHFFFAOYSA-N 0 0 492.234 6.804 40 0 JKABRN C[C@]12CC[C@@H]3c4ccc(O[C@@H]5CCCCO5)cc4[C@H](O)C[C@H]3[C@@H]1CC[C@@H]2O[C@H]1CCCCO1 ZINC000077273412 569705287 /nfs/dbraw/zinc/70/52/87/569705287.db2.gz MCLZNKNXAOPACD-WZNBWYLUSA-N 0 0 456.623 5.851 40 0 in-vitro JKABRN CC(C)c1ccc(O[P@@](=O)(Oc2ccccc2)Oc2cc(C(C)C)cc(C(C)C)c2)cc1 ZINC000077273536 569705346 /nfs/dbraw/zinc/70/53/46/569705346.db2.gz YRHIJLBOQLOKIP-JGCGQSQUSA-N 0 0 452.531 8.702 40 0 in-vitro JKABRN COC1(OC)C[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000077291658 569705558 /nfs/dbraw/zinc/70/55/58/569705558.db2.gz DGWBEODODXRBHL-OBLMWKTISA-N 0 0 480.686 5.620 40 0 in-vitro JKABRN O=[S@](c1ccccc1)c1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 ZINC000077292581 569705667 /nfs/dbraw/zinc/70/56/67/569705667.db2.gz RQFZUKGPRWEUHC-XJFCNFDWSA-N 0 0 471.409 6.315 40 0 in-vitro JKABRN O=[S@@](c1ccccc1)c1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 ZINC000077292577 569705669 /nfs/dbraw/zinc/70/56/69/569705669.db2.gz RQFZUKGPRWEUHC-QXNWPYRLSA-N 0 0 471.409 6.315 40 0 in-vitro JKABRN COc1ccc2c(c1)C(S(=O)(=O)c1ccccc1)=C[C@H]1[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000077302378 569705761 /nfs/dbraw/zinc/70/57/61/569705761.db2.gz DSDJVRLMXSLPID-WIOQOGMWSA-N 0 0 466.599 5.365 40 0 in-vitro JKABRN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=O)cc1Cl ZINC000035668608 569706117 /nfs/dbraw/zinc/70/61/17/569706117.db2.gz HXXNKKCNGIWINX-UHFFFAOYSA-N 0 0 461.537 5.003 40 0 JKABRN C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccc2c(c1)OCO2)CC(=O)O3 ZINC000079188711 569707013 /nfs/dbraw/zinc/70/70/13/569707013.db2.gz CINYCWKQJMPHMI-NIELWKLTSA-N 0 0 492.524 5.044 40 0 JKABRN COc1cccc([C@@H]2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079193116 569707313 /nfs/dbraw/zinc/70/73/13/569707313.db2.gz HOKYOKFKIBBOLE-HZYLBUSCSA-N 0 0 478.541 5.324 40 0 JKABRN C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1cccc2ccccc21)CC(=O)O3 ZINC000079194154 569707339 /nfs/dbraw/zinc/70/73/39/569707339.db2.gz BAIGPTHTFBKKCQ-CXLHOFICSA-N 0 0 498.575 6.468 40 0 JKABRN O=C(Cc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O)c1cccc(Br)c1 ZINC000082086844 569708086 /nfs/dbraw/zinc/70/80/86/569708086.db2.gz LBPVDFOYIIPTSB-UHFFFAOYSA-N 0 0 467.750 5.286 40 0 JKABRN CO/C(=C/C(N)=O)[C@H](C)[C@H](/C=C\c1csc(-c2csc([C@@H](C)/C=C/C=C\C(C)C)n2)n1)OC ZINC000082172509 569708130 /nfs/dbraw/zinc/70/81/30/569708130.db2.gz XKTFQMCPGMTBMD-SPBPRYKCSA-N 0 0 487.691 5.818 40 0 JKABRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F ZINC000035832801 569713148 /nfs/dbraw/zinc/71/31/48/569713148.db2.gz WXZKGKOOZBXROH-BHTHQVBYSA-N 0 0 475.342 6.253 40 0 JKABRN CCOC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)nc1C ZINC000089984811 569720795 /nfs/dbraw/zinc/72/07/95/569720795.db2.gz WYHFCMBYQZTXLQ-SUPUDBFGSA-N 0 0 457.599 6.429 40 0 JKABRN c1ccc([C@H](c2cccc3c2Cc2ccccc2-3)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000090751335 569721172 /nfs/dbraw/zinc/72/11/72/569721172.db2.gz YTPMLDKRXNZRHO-KXQOOQHDSA-N 0 0 498.669 9.424 40 0 JKABRN C[C@H](OC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@@H]3C2=O)cc1)C(=O)c1ccccc1 ZINC000035900191 569723330 /nfs/dbraw/zinc/72/33/30/569723330.db2.gz POUUQZGFKYJEAO-WCVVKQJHSA-N 0 0 493.559 5.044 40 0 JKABRN COC(=O)CN1C(c2ccc(N(C)C)cc2)=Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000095618969 569728232 /nfs/dbraw/zinc/72/82/32/569728232.db2.gz GILXIZKQAMUVRD-DEOSSOPVSA-N 0 0 478.390 5.171 40 0 JKABRN COC(=O)CN1C(c2ccc(N(C)C)cc2)=Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000095618970 569728279 /nfs/dbraw/zinc/72/82/79/569728279.db2.gz GILXIZKQAMUVRD-XMMPIXPASA-N 0 0 478.390 5.171 40 0 JKABRN c1ccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000095871269 569729224 /nfs/dbraw/zinc/72/92/24/569729224.db2.gz IPOBVSHPVYWJQC-UHFFFAOYSA-N 0 0 486.658 9.056 40 0 JKABRN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)Cc5c[nH]nc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000095949908 569731449 /nfs/dbraw/zinc/73/14/49/569731449.db2.gz VZTPGUKTGYGPEQ-JWKSFHFVSA-N 0 0 492.748 7.398 40 0 JKABRN O=C(CCC(=O)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000095951694 569731485 /nfs/dbraw/zinc/73/14/85/569731485.db2.gz PSIOXFBNNFQTOG-UHFFFAOYSA-N 0 0 476.620 5.663 40 0 JKABRN O=C(NCc1ccc(Cl)cc1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096037437 569732379 /nfs/dbraw/zinc/73/23/79/569732379.db2.gz ATSFLIHGOMXETK-UHFFFAOYSA-N 0 0 455.949 5.369 40 0 JKABRN COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccc(F)cc5F)cc43)co2)c1 ZINC000096037833 569732399 /nfs/dbraw/zinc/73/23/99/569732399.db2.gz WXFDMVHHBGJPJW-UHFFFAOYSA-N 0 0 461.424 5.367 40 0 JKABRN COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@H](c3ccccc3)C(=O)[C@@H]2c2ccccc2)cc1 ZINC000035945775 569732904 /nfs/dbraw/zinc/73/29/04/569732904.db2.gz VSSKKPICNJFIMN-XJYHXZFBSA-N 0 0 463.577 6.226 40 0 JKABRN CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1[C@@]1(C)CC[C@H]3c4ccc(OC)cc4CC[C@@H]3[C@@H]1C2 ZINC000096115658 569734668 /nfs/dbraw/zinc/73/46/68/569734668.db2.gz JCFVUQKPWFHZHI-BNXGODSSSA-N 0 0 495.685 6.488 40 0 JKABRN CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1[C@]1(C)CC[C@H]3c4ccc(OC)cc4CC[C@@H]3[C@@H]1C2 ZINC000096115660 569734737 /nfs/dbraw/zinc/73/47/37/569734737.db2.gz JCFVUQKPWFHZHI-LLIWRNBMSA-N 0 0 495.685 6.488 40 0 JKABRN Cc1noc(-c2ccccc2)c1CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)ncc2C1 ZINC000096125833 569736227 /nfs/dbraw/zinc/73/62/27/569736227.db2.gz MNLKEFOCXGTZRN-UHFFFAOYSA-N 0 0 450.464 5.684 40 0 JKABRN O=C(NCc1ccncc1)c1cc2ccc(-c3ccc(C(F)(F)F)cc3)cn2c1-c1cocn1 ZINC000096155509 569736693 /nfs/dbraw/zinc/73/66/93/569736693.db2.gz FBOZUEBHAIJXGA-UHFFFAOYSA-N 0 0 462.431 5.605 40 0 JKABRN O=C(NCCc1ccncc1)c1cc2ccc(-c3ccc(C(F)(F)F)cc3)cn2c1-c1cocn1 ZINC000096155512 569736695 /nfs/dbraw/zinc/73/66/95/569736695.db2.gz WHQBCZVATXWGFS-UHFFFAOYSA-N 0 0 476.458 5.648 40 0 JKABRN Cc1ccc(NC(=O)c2ccc3c(c2)[C@H](c2ncn(C(C)C)n2)CN3C(=O)c2ccccc2)cc1 ZINC000096156493 569736928 /nfs/dbraw/zinc/73/69/28/569736928.db2.gz IKZVTEREBOJOQI-XMMPIXPASA-N 0 0 465.557 5.212 40 0 JKABRN CC(C)(C)c1cc(C(C)(C)C)c([C@@H](O)c2ccccc2)c(C(C)(C)C)c1[C@@H](O)c1ccccc1 ZINC000096171615 569737051 /nfs/dbraw/zinc/73/70/51/569737051.db2.gz CORQHSBOJQIKFG-VMPREFPWSA-N 0 0 458.686 7.743 40 0 JKABRN CCCCN1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)O[C@@H]2C1=O ZINC000096179149 569737066 /nfs/dbraw/zinc/73/70/66/569737066.db2.gz QLJHOAUIKCEVSN-QYZOEREBSA-N 0 0 453.753 5.293 40 0 JKABRN CCOc1cc(-c2nn3c(nnc3-c3oc4ccccc4c3C)s2)cc(OCC)c1OCC ZINC000096194210 569737301 /nfs/dbraw/zinc/73/73/01/569737301.db2.gz XPPBHGWDPULSRU-UHFFFAOYSA-N 0 0 464.547 5.771 40 0 JKABRN Cc1cccc2c(C)cc(SCC(=O)N3N=C4/C(=C\c5ccco5)CCC[C@H]4[C@H]3c3ccco3)nc12 ZINC000097654822 569745632 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476.642 5.388 40 0 JKABRN CC[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000038756650 569807265 /nfs/dbraw/zinc/80/72/65/569807265.db2.gz MXIGVWDTEVVQIT-ZEQRLZLVSA-N 0 0 471.022 5.099 40 0 JKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000038757102 569807391 /nfs/dbraw/zinc/80/73/91/569807391.db2.gz HFCGOMXNKBESSA-NRFANRHFSA-N 0 0 495.453 6.304 40 0 JKABRN CC[C@H](C(=O)N[C@H](c1ccccc1)c1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000038756656 569807397 /nfs/dbraw/zinc/80/73/97/569807397.db2.gz MXIGVWDTEVVQIT-DNQXCXABSA-N 0 0 471.022 5.099 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000038771261 569807509 /nfs/dbraw/zinc/80/75/09/569807509.db2.gz PCMPMMQFCIDROL-SANMLTNESA-N 0 0 494.657 5.938 40 0 JKABRN Cc1ccc(CN(c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 ZINC000038771190 569807511 /nfs/dbraw/zinc/80/75/11/569807511.db2.gz UFDFUSMOOXXXBJ-LJAQVGFWSA-N 0 0 498.648 5.789 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)c1 ZINC000038771285 569807520 /nfs/dbraw/zinc/80/75/20/569807520.db2.gz ZANUVBHEDWLIIJ-VWLOTQADSA-N 0 0 464.631 5.930 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000038771263 569807550 /nfs/dbraw/zinc/80/75/50/569807550.db2.gz PCMPMMQFCIDROL-AREMUKBSSA-N 0 0 494.657 5.938 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000038772379 569807678 /nfs/dbraw/zinc/80/76/78/569807678.db2.gz CEJGLTBVWKTIGR-HSZRJFAPSA-N 0 0 491.440 5.841 40 0 JKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038834403 569808778 /nfs/dbraw/zinc/80/87/78/569808778.db2.gz RKAMDSPSGKYYCQ-LJQANCHMSA-N 0 0 455.385 6.636 40 0 JKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038860812 569809016 /nfs/dbraw/zinc/80/90/16/569809016.db2.gz DZPPUPATDXMPQI-KRWDZBQOSA-N 0 0 489.830 7.290 40 0 JKABRN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3CC(C)(C)CC(=O)[C@H]32)cc(Br)c1O ZINC000039379182 569809652 /nfs/dbraw/zinc/80/96/52/569809652.db2.gz GIGWQKKNWZZHDR-WDNCENIBSA-N 0 0 494.429 6.962 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000039389027 569809659 /nfs/dbraw/zinc/80/96/59/569809659.db2.gz FMKDIVCPEXQPSG-QGZVFWFLSA-N 0 0 497.060 6.822 40 0 JKABRN CC[C@H](Oc1nc2ccccc2nc1-c1ccccc1NC(C)=O)C(=O)c1ccc(Cl)cc1 ZINC000039411921 569809805 /nfs/dbraw/zinc/80/98/05/569809805.db2.gz UXWZQHJEVYEFJG-QHCPKHFHSA-N 0 0 459.933 5.949 40 0 JKABRN Cn1ccnc1SCC(=O)N1C[C@@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)OC1(C)C ZINC000039432292 569809885 /nfs/dbraw/zinc/80/98/85/569809885.db2.gz LIZKCSLUUVROPR-WNARQUCJSA-N 0 0 499.765 6.279 40 0 JKABRN CCCCCCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3OC)=C(C)Nc3ncnn32)cc1 ZINC000039427754 569809903 /nfs/dbraw/zinc/80/99/03/569809903.db2.gz KROCSWUGGKLHJK-VWLOTQADSA-N 0 0 491.592 5.182 40 0 JKABRN CCCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 ZINC000039427748 569809932 /nfs/dbraw/zinc/80/99/32/569809932.db2.gz RVHBALQMERKWHH-RUZDIDTESA-N 0 0 459.594 5.782 40 0 JKABRN CCCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1 ZINC000039427810 569809938 /nfs/dbraw/zinc/80/99/38/569809938.db2.gz AXVALXSETYCBEG-HSZRJFAPSA-N 0 0 465.985 5.818 40 0 JKABRN O=C1NC(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000039556263 569810266 /nfs/dbraw/zinc/81/02/66/569810266.db2.gz PXDLBOPNNAGYQT-CVKSISIWSA-N 0 0 477.951 6.594 40 0 JKABRN O=C1NC(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000039556201 569810304 /nfs/dbraw/zinc/81/03/04/569810304.db2.gz QLUQBYHBMCYISJ-LSHDLFTRSA-N 0 0 496.781 6.747 40 0 JKABRN Cc1ccc(OCCn2cc(/C=C3/C(=O)N(C)C(=S)N3C)c3cc(Br)ccc32)cc1C ZINC000039556511 569810476 /nfs/dbraw/zinc/81/04/76/569810476.db2.gz GJYOVXALQAHTCQ-UUYOSTAYSA-N 0 0 498.446 5.129 40 0 JKABRN COc1ccc(OCCn2cc(/C=C3\NC(=S)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)cc1 ZINC000039556644 569810574 /nfs/dbraw/zinc/81/05/74/569810574.db2.gz VNQKZPILFVFHKM-ONUIUJJFSA-N 0 0 497.620 5.608 40 0 JKABRN Cc1ccc(N2C(=O)/C(=C/c3cn(CCCOc4ccccc4)c4ccccc34)N(C)C2=S)cc1C ZINC000039556729 569810754 /nfs/dbraw/zinc/81/07/54/569810754.db2.gz DQEMDJCPAWZCOJ-USHMODERSA-N 0 0 495.648 6.332 40 0 JKABRN CCOc1ccc(C(=O)Nc2nnc(SCc3c(F)cccc3Cl)s2)cc1OCC ZINC000039724017 569811096 /nfs/dbraw/zinc/81/10/96/569811096.db2.gz SKQDOKDHBKVZPI-UHFFFAOYSA-N 0 0 467.975 5.673 40 0 JKABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)Cc4cccc5ccccc54)cc3)o2)cc1 ZINC000039744848 569811177 /nfs/dbraw/zinc/81/11/77/569811177.db2.gz MFLNIYOPEDLOER-UHFFFAOYSA-N 0 0 478.508 5.332 40 0 JKABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)/C=C/c3ccccc3)s2)cc1 ZINC000039754471 569811375 /nfs/dbraw/zinc/81/13/75/569811375.db2.gz OEODLKWLFASIDR-LFIBNONCSA-N 0 0 456.527 5.118 40 0 JKABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3cccc4ccccc43)s2)cc1 ZINC000039753789 569811376 /nfs/dbraw/zinc/81/13/76/569811376.db2.gz CUHQBRPXSCLPFM-UHFFFAOYSA-N 0 0 480.549 5.872 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1OCC ZINC000039760923 569811628 /nfs/dbraw/zinc/81/16/28/569811628.db2.gz ZIHYJQGOSQPKHR-KRWDZBQOSA-N 0 0 462.993 5.366 40 0 JKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000039765371 569811739 /nfs/dbraw/zinc/81/17/39/569811739.db2.gz CRYBRYUVMPXTGG-UHFFFAOYSA-N 0 0 464.934 5.372 40 0 JKABRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4ccc(Cl)cc4)c3)s2)cc1 ZINC000039768509 569811859 /nfs/dbraw/zinc/81/18/59/569811859.db2.gz SKRZAHSNGDTYCR-UHFFFAOYSA-N 0 0 464.934 5.372 40 0 JKABRN CCOC(=O)c1c(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)sc2c1CCCC2 ZINC000039768766 569811897 /nfs/dbraw/zinc/81/18/97/569811897.db2.gz GQJRTYPTDDWGFL-UHFFFAOYSA-N 0 0 479.017 5.447 40 0 JKABRN O=C1Nc2ccccc2C(=O)C1C(c1cccc2ccccc21)C1C(=O)Nc2ccccc2C1=O ZINC000039921216 569812144 /nfs/dbraw/zinc/81/21/44/569812144.db2.gz ZMHOKECXCGKFFX-UHFFFAOYSA-N 0 0 460.489 5.114 40 0 JKABRN CCN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985429 569812999 /nfs/dbraw/zinc/81/29/99/569812999.db2.gz NMHBLYAFEUHSFR-UHFFFAOYSA-N 0 0 493.412 5.222 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000039986521 569813203 /nfs/dbraw/zinc/81/32/03/569813203.db2.gz CAUCETAXBFOCBK-UHFFFAOYSA-N 0 0 499.338 5.060 40 0 JKABRN CCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986799 569813338 /nfs/dbraw/zinc/81/33/38/569813338.db2.gz RNUCLKIMUWXSBI-UHFFFAOYSA-N 0 0 472.610 5.079 40 0 JKABRN O=c1/c(=C/c2ccccc2Cl)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000040032917 569814381 /nfs/dbraw/zinc/81/43/81/569814381.db2.gz WZPMMKNOWAWQEV-GJFKPFFXSA-N 0 0 472.972 5.111 40 0 JKABRN CC1=Nc2ccccc2N=C(NC(=O)CSC(=S)N2C[C@@H](C)C[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000102651893 569815159 /nfs/dbraw/zinc/81/51/59/569815159.db2.gz KOIUJMIYGWCUPH-XFAGBWLFSA-N 0 0 478.687 5.719 40 0 JKABRN C[C@H](C(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102676433 569815544 /nfs/dbraw/zinc/81/55/44/569815544.db2.gz HYBFQIXAQRMZGS-LIWGRTDTSA-N 0 0 458.602 5.072 40 0 JKABRN O=C1[C@@H]2[C@H](c3cccc4ccccc43)N(c3ccccc3)O[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000102706271 569816417 /nfs/dbraw/zinc/81/64/17/569816417.db2.gz IWVMXDZNASXNLL-DSITVLBTSA-N 0 0 489.358 6.198 40 0 JKABRN Oc1c2c(c(O)n1-c1cccc(Cl)c1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000102707287 569816499 /nfs/dbraw/zinc/81/64/99/569816499.db2.gz MJOIKRDLSPNTGC-SDHOMARFSA-N 0 0 454.913 5.544 40 0 JKABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102717965 569817187 /nfs/dbraw/zinc/81/71/87/569817187.db2.gz GOKQVEOIHKKPNE-ACRUOGEOSA-N 0 0 483.749 5.154 40 0 JKABRN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102727113 569817777 /nfs/dbraw/zinc/81/77/77/569817777.db2.gz XQOMMHZCPXMMNP-XPWALMASSA-N 0 0 499.350 5.062 40 0 JKABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102732025 569818283 /nfs/dbraw/zinc/81/82/83/569818283.db2.gz DXAKBAZQJKEEPE-ACRUOGEOSA-N 0 0 483.749 5.154 40 0 JKABRN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102749420 569820631 /nfs/dbraw/zinc/82/06/31/569820631.db2.gz UWYACZATRJHYMB-UODIDJSMSA-N 0 0 490.531 5.064 40 0 JKABRN Cc1[nH]c2ccccc2c1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102755042 569821409 /nfs/dbraw/zinc/82/14/09/569821409.db2.gz ZJLRIAFKGZDUFS-TZRRMPRUSA-N 0 0 492.362 5.834 40 0 JKABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102760640 569821989 /nfs/dbraw/zinc/82/19/89/569821989.db2.gz ZYRXTCLITDHOAN-HBMCJLEFSA-N 0 0 488.849 5.290 40 0 JKABRN CC(=O)Nc1ccc(Nc2ccc(Nc3ncnc4c3cnn4-c3ccc(Cl)cc3)cc2)cc1 ZINC000040227547 569823174 /nfs/dbraw/zinc/82/31/74/569823174.db2.gz NACUOPCSHIHALF-UHFFFAOYSA-N 0 0 469.936 5.915 40 0 JKABRN 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569876365 /nfs/dbraw/zinc/87/63/65/569876365.db2.gz RZYJKHOZJZXVKF-LPYMAVHISA-N 0 0 470.377 6.809 40 0 JKABRN O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214172776 569876382 /nfs/dbraw/zinc/87/63/82/569876382.db2.gz BJTUJNJSJSFIFL-XQNSMLJCSA-N 0 0 465.958 6.034 40 0 JKABRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000214145351 569876390 /nfs/dbraw/zinc/87/63/90/569876390.db2.gz YJFDCKSVNIMULG-OEAKJJBVSA-N 0 0 492.984 5.902 40 0 JKABRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000214151441 569876398 /nfs/dbraw/zinc/87/63/98/569876398.db2.gz NHLYMBDIGAOIHX-HZHRSRAPSA-N 0 0 495.984 6.793 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214149295 569876409 /nfs/dbraw/zinc/87/64/09/569876409.db2.gz ZNEDMCHSTAYZLC-LPYMAVHISA-N 0 0 453.922 6.295 40 0 JKABRN CC(C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br ZINC000214169984 569876424 /nfs/dbraw/zinc/87/64/24/569876424.db2.gz ACWNOZHGDODHGU-VCHYOVAHSA-N 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COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccccc1Cl ZINC000214349178 569876630 /nfs/dbraw/zinc/87/66/30/569876630.db2.gz DASGYPDSOBSNOO-YDZHTSKRSA-N 0 0 483.948 6.303 40 0 JKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000214401465 569876672 /nfs/dbraw/zinc/87/66/72/569876672.db2.gz PYTIBUVRMRNLIK-VXLYETTFSA-N 0 0 452.359 6.027 40 0 JKABRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214403345 569876676 /nfs/dbraw/zinc/87/66/76/569876676.db2.gz KBHBFJSXGAQZEL-VXLYETTFSA-N 0 0 464.757 7.143 40 0 JKABRN O=C(Nc1ccc(I)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000216242701 569877944 /nfs/dbraw/zinc/87/79/44/569877944.db2.gz JAITZJPDJURVFO-UHFFFAOYSA-N 0 0 454.311 5.106 40 0 JKABRN Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1 ZINC000214493548 569876729 /nfs/dbraw/zinc/87/67/29/569876729.db2.gz LSTFDQIVNKFADS-HZHRSRAPSA-N 0 0 458.539 5.249 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000214599191 569876742 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JKABRN O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215117484 569877225 /nfs/dbraw/zinc/87/72/25/569877225.db2.gz LCQDYNQIMQWYET-OEAKJJBVSA-N 0 0 483.948 6.173 40 0 JKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215140451 569877226 /nfs/dbraw/zinc/87/72/26/569877226.db2.gz CSKCPLLALZWACL-SSDVNMTOSA-N 0 0 471.912 6.434 40 0 JKABRN O=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215137786 569877247 /nfs/dbraw/zinc/87/72/47/569877247.db2.gz BQBFJSXTZUZZFN-DJKKODMXSA-N 0 0 482.747 7.282 40 0 JKABRN CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc(I)cc2)C1=O ZINC000215214342 569877258 /nfs/dbraw/zinc/87/72/58/569877258.db2.gz RRUXFXICBLZFEY-JOEZZVDMSA-N 0 0 461.324 5.474 40 0 JKABRN O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(I)cc1 ZINC000215245274 569877268 /nfs/dbraw/zinc/87/72/68/569877268.db2.gz DVKYJIWIOJHEEX-VIZOYTHASA-N 0 0 490.149 5.835 40 0 JKABRN CC(C)c1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc1 ZINC000215218624 569877283 /nfs/dbraw/zinc/87/72/83/569877283.db2.gz HXSYXXYEBWZCJI-WOJGMQOQSA-N 0 0 463.340 5.651 40 0 JKABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc2)cc1 ZINC000216233599 569877898 /nfs/dbraw/zinc/87/78/98/569877898.db2.gz VSXUYHWAZUEZMH-IBGZPJMESA-N 0 0 468.644 5.341 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1)c1ccc(C)cc1 ZINC000216236376 569877921 /nfs/dbraw/zinc/87/79/21/569877921.db2.gz UJHGPEHGOJWZLP-XMMPIXPASA-N 0 0 450.604 5.602 40 0 JKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000216259782 569877966 /nfs/dbraw/zinc/87/79/66/569877966.db2.gz RUZFNHNJIQRPRC-NRFANRHFSA-N 0 0 467.056 5.414 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000216292866 569878223 /nfs/dbraw/zinc/87/82/23/569878223.db2.gz CIMODMMLOVWVLS-AREMUKBSSA-N 0 0 480.630 5.630 40 0 JKABRN CCOc1ccc(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1OC ZINC000216334906 569878335 /nfs/dbraw/zinc/87/83/35/569878335.db2.gz TYIPMPMHJMQGMQ-UHFFFAOYSA-N 0 0 458.602 5.409 40 0 JKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccccc1 ZINC000216321859 569878353 /nfs/dbraw/zinc/87/83/53/569878353.db2.gz XLNNFNGFSYXUTK-JOCHJYFZSA-N 0 0 496.632 6.601 40 0 JKABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000216345344 569878397 /nfs/dbraw/zinc/87/83/97/569878397.db2.gz KUZLAMALSWBASZ-UHFFFAOYSA-N 0 0 466.556 5.897 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Br)cc2Cl)cc1 ZINC000216348181 569878450 /nfs/dbraw/zinc/87/84/50/569878450.db2.gz MNWCGGKTTDIBBV-UHFFFAOYSA-N 0 0 479.783 5.464 40 0 JKABRN CCCCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000216359043 569878485 /nfs/dbraw/zinc/87/84/85/569878485.db2.gz JMVIVLLBWNIVBP-UHFFFAOYSA-N 0 0 456.995 6.044 40 0 JKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000216365022 569878496 /nfs/dbraw/zinc/87/84/96/569878496.db2.gz PSGARVOJXWPEFV-NRFANRHFSA-N 0 0 458.602 6.568 40 0 JKABRN O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000216360982 569878500 /nfs/dbraw/zinc/87/85/00/569878500.db2.gz SABRLMNQYGQANI-UHFFFAOYSA-N 0 0 479.546 5.621 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000216370734 569878560 /nfs/dbraw/zinc/87/85/60/569878560.db2.gz LDKBSVBIUPZCEN-MUUNZHRXSA-N 0 0 484.621 5.648 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c2ccccc2)cc1 ZINC000216395872 569878618 /nfs/dbraw/zinc/87/86/18/569878618.db2.gz VRYPXJLHIJEEHY-SANMLTNESA-N 0 0 497.060 5.588 40 0 JKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000216400998 569878676 /nfs/dbraw/zinc/87/86/76/569878676.db2.gz HAKPVELHVKKFMR-UHFFFAOYSA-N 0 0 480.973 5.863 40 0 JKABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000216403051 569878692 /nfs/dbraw/zinc/87/86/92/569878692.db2.gz IZQBWRQLSUKVLD-UHFFFAOYSA-N 0 0 469.588 5.217 40 0 JKABRN 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40 0 JKABRN CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(OC)c(C)c1 ZINC000222912444 569894224 /nfs/dbraw/zinc/89/42/24/569894224.db2.gz AYHMDRCVHYOKOO-RBJSKKJNSA-N 0 0 474.626 5.659 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2ccc(F)cc2)cc1 ZINC000222916363 569894333 /nfs/dbraw/zinc/89/43/33/569894333.db2.gz UOUUQACPGHLQKG-FQEVSTJZSA-N 0 0 480.605 5.086 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222932211 569894754 /nfs/dbraw/zinc/89/47/54/569894754.db2.gz BCKKWEMRJUBIAB-CQSZACIVSA-N 0 0 473.853 5.433 40 0 JKABRN C[C@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222920833 569894407 /nfs/dbraw/zinc/89/44/07/569894407.db2.gz VXNPDBUEHWSKQO-FQEVSTJZSA-N 0 0 478.614 5.001 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000222922452 569894457 /nfs/dbraw/zinc/89/44/57/569894457.db2.gz NSJVGQYNUBFIMC-FQEVSTJZSA-N 0 0 480.605 5.086 40 0 JKABRN C[C@@H](NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000222923614 569894478 /nfs/dbraw/zinc/89/44/78/569894478.db2.gz PPJDTDKAAUPKNW-LJQANCHMSA-N 0 0 497.060 5.676 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2cccc(C)c2C)cc1 ZINC000222924643 569894507 /nfs/dbraw/zinc/89/45/07/569894507.db2.gz UPNOVYFLXSJQAM-QHCPKHFHSA-N 0 0 490.669 5.563 40 0 JKABRN C[C@H](C(=O)NCc1ccccc1Cl)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222924040 569894512 /nfs/dbraw/zinc/89/45/12/569894512.db2.gz LQUILCHWCLRNDG-QGZVFWFLSA-N 0 0 473.375 5.409 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222928166 569894636 /nfs/dbraw/zinc/89/46/36/569894636.db2.gz LYSWBRBUCWMDPA-GOSISDBHSA-N 0 0 491.503 6.556 40 0 JKABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222929013 569894664 /nfs/dbraw/zinc/89/46/64/569894664.db2.gz ZNLJALRBKGMYNB-KRWDZBQOSA-N 0 0 465.421 5.321 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccccc1 ZINC000222929319 569894676 /nfs/dbraw/zinc/89/46/76/569894676.db2.gz VJBVWWSIYWLWAN-KRWDZBQOSA-N 0 0 465.421 5.484 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccccc1 ZINC000222929376 569894679 /nfs/dbraw/zinc/89/46/79/569894679.db2.gz VJBVWWSIYWLWAN-QGZVFWFLSA-N 0 0 465.421 5.484 40 0 JKABRN COc1ccc(OCCCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222929782 569894681 /nfs/dbraw/zinc/89/46/81/569894681.db2.gz KICPLTYMTDCJIX-KRWDZBQOSA-N 0 0 495.447 5.493 40 0 JKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000222928763 569894703 /nfs/dbraw/zinc/89/47/03/569894703.db2.gz RTMOIAVYKBZANT-QGZVFWFLSA-N 0 0 451.950 6.426 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000222929328 569894704 /nfs/dbraw/zinc/89/47/04/569894704.db2.gz NXTQFNKRYJRMHW-FQEVSTJZSA-N 0 0 462.615 5.190 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222932287 569894722 /nfs/dbraw/zinc/89/47/22/569894722.db2.gz BCKKWEMRJUBIAB-AWEZNQCLSA-N 0 0 473.853 5.433 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222933103 569894802 /nfs/dbraw/zinc/89/48/02/569894802.db2.gz IFYXHUFDHXHJNX-KRWDZBQOSA-N 0 0 465.421 5.321 40 0 JKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222936740 569894905 /nfs/dbraw/zinc/89/49/05/569894905.db2.gz MEAKHEMRYMOLDM-RTWAWAEBSA-N 0 0 456.409 5.733 40 0 JKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222936682 569894909 /nfs/dbraw/zinc/89/49/09/569894909.db2.gz MEAKHEMRYMOLDM-SFTDATJTSA-N 0 0 456.409 5.733 40 0 JKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222936657 569894940 /nfs/dbraw/zinc/89/49/40/569894940.db2.gz ZDACXEXLKGCSNJ-SFHVURJKSA-N 0 0 477.476 6.381 40 0 JKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222939802 569894955 /nfs/dbraw/zinc/89/49/55/569894955.db2.gz ZIWRRKKPIKJETF-NHCUHLMSSA-N 0 0 474.399 5.872 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222941264 569895001 /nfs/dbraw/zinc/89/50/01/569895001.db2.gz COJDNHWYMVIRGX-MRXNPFEDSA-N 0 0 451.394 5.013 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222941074 569895005 /nfs/dbraw/zinc/89/50/05/569895005.db2.gz JMMUGKWZJZXKLH-INIZCTEOSA-N 0 0 451.394 5.013 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000222941396 569895015 /nfs/dbraw/zinc/89/50/15/569895015.db2.gz PPLIYSLYZGLHLS-CQSZACIVSA-N 0 0 471.812 5.358 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222940991 569895020 /nfs/dbraw/zinc/89/50/20/569895020.db2.gz IVYZTBPDGKPIOL-QGZVFWFLSA-N 0 0 481.489 5.867 40 0 JKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000222940204 569895036 /nfs/dbraw/zinc/89/50/36/569895036.db2.gz IZIJFCHRXFWYSW-RTWAWAEBSA-N 0 0 474.399 5.872 40 0 JKABRN C[C@@H](NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000222941397 569895038 /nfs/dbraw/zinc/89/50/38/569895038.db2.gz OOHQNZYCTMFGNE-LJQANCHMSA-N 0 0 480.605 5.162 40 0 JKABRN C[C@H](NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000222941603 569895071 /nfs/dbraw/zinc/89/50/71/569895071.db2.gz MVWHRTFZRPDOCC-IBGZPJMESA-N 0 0 480.605 5.162 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222943049 569895086 /nfs/dbraw/zinc/89/50/86/569895086.db2.gz ZVMVNJKGHZZPOL-CYBMUJFWSA-N 0 0 490.258 6.175 40 0 JKABRN C[C@@H](NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000222941857 569895103 /nfs/dbraw/zinc/89/51/03/569895103.db2.gz RABBIDSWVVDANT-LJQANCHMSA-N 0 0 497.060 5.676 40 0 JKABRN Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222944338 569895144 /nfs/dbraw/zinc/89/51/44/569895144.db2.gz LJASFXFVOMJUOL-INIZCTEOSA-N 0 0 451.394 5.013 40 0 JKABRN Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C ZINC000222946212 569895160 /nfs/dbraw/zinc/89/51/60/569895160.db2.gz FDBDYZLQGCBETE-QGZVFWFLSA-N 0 0 481.489 5.867 40 0 JKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222946305 569895174 /nfs/dbraw/zinc/89/51/74/569895174.db2.gz CXIFMAIXIBKPLP-KRWDZBQOSA-N 0 0 481.489 5.867 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1 ZINC000222946088 569895179 /nfs/dbraw/zinc/89/51/79/569895179.db2.gz QDMHQGOHEXTCJH-MRXNPFEDSA-N 0 0 467.462 5.559 40 0 JKABRN C[C@@H](NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222949504 569895232 /nfs/dbraw/zinc/89/52/32/569895232.db2.gz RMOIKGWIVOEKBN-MRXNPFEDSA-N 0 0 483.461 5.296 40 0 JKABRN COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000222953925 569895359 /nfs/dbraw/zinc/89/53/59/569895359.db2.gz GYBDEJLJOLTSKB-FQEVSTJZSA-N 0 0 485.024 5.151 40 0 JKABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)N1CCC(C)CC1 ZINC000222963029 569895560 /nfs/dbraw/zinc/89/55/60/569895560.db2.gz XZSWOMINTMLADF-IBGZPJMESA-N 0 0 486.703 5.199 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c2)cc1 ZINC000222966908 569895650 /nfs/dbraw/zinc/89/56/50/569895650.db2.gz VIXVCGMCZCMSRC-GOSISDBHSA-N 0 0 483.033 5.819 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222968767 569895735 /nfs/dbraw/zinc/89/57/35/569895735.db2.gz MJDBMAGYXKATIL-GOSISDBHSA-N 0 0 491.503 6.556 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222973137 569895874 /nfs/dbraw/zinc/89/58/74/569895874.db2.gz JEXSWZOVPOQJHQ-KRWDZBQOSA-N 0 0 493.475 6.002 40 0 JKABRN C[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975739 569895890 /nfs/dbraw/zinc/89/58/90/569895890.db2.gz ZNIKNKKDZRSJCF-SFHVURJKSA-N 0 0 455.440 5.417 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222976712 569895914 /nfs/dbraw/zinc/89/59/14/569895914.db2.gz RWCBKUVLOVZRPJ-LEWJYISDSA-N 0 0 455.425 5.407 40 0 JKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222977336 569895923 /nfs/dbraw/zinc/89/59/23/569895923.db2.gz JVWSEETZCMUMLO-SFHVURJKSA-N 0 0 477.476 6.381 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000222978899 569895992 /nfs/dbraw/zinc/89/59/92/569895992.db2.gz CPWVGNKUNQHQOE-OAHLLOKOSA-N 0 0 469.840 5.911 40 0 JKABRN CCC1(CC)C[C@H](NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000222977915 569896004 /nfs/dbraw/zinc/89/60/04/569896004.db2.gz XIPIEGJLKXXPFD-NRFANRHFSA-N 0 0 493.069 5.393 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000222981947 569896012 /nfs/dbraw/zinc/89/60/12/569896012.db2.gz USQWVXYZDMSSHS-AWEZNQCLSA-N 0 0 471.812 5.358 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222981868 569896037 /nfs/dbraw/zinc/89/60/37/569896037.db2.gz QCJUCRMIKOIGBF-MRXNPFEDSA-N 0 0 451.394 5.013 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000222981866 569896059 /nfs/dbraw/zinc/89/60/59/569896059.db2.gz XHKAOTSHBYHYMG-LJQANCHMSA-N 0 0 489.454 5.285 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000222982794 569896065 /nfs/dbraw/zinc/89/60/65/569896065.db2.gz QIUXKEPUMKYKDH-KRWDZBQOSA-N 0 0 465.421 5.321 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000222983555 569896066 /nfs/dbraw/zinc/89/60/66/569896066.db2.gz ICJXNIXMFIGDIC-AWEZNQCLSA-N 0 0 455.813 5.521 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1C ZINC000222982712 569896092 /nfs/dbraw/zinc/89/60/92/569896092.db2.gz ZSMYYEOTQJGSIZ-QGZVFWFLSA-N 0 0 465.421 5.321 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000222983456 569896112 /nfs/dbraw/zinc/89/61/12/569896112.db2.gz ZWZQSTYSKPYMFL-CQSZACIVSA-N 0 0 455.813 5.521 40 0 JKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222984494 569896139 /nfs/dbraw/zinc/89/61/39/569896139.db2.gz PSZPJARHQANUHH-RTWAWAEBSA-N 0 0 474.399 6.016 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccc(Cl)cc1 ZINC000222986102 569896179 /nfs/dbraw/zinc/89/61/79/569896179.db2.gz VAYRMXGFRUGSKM-AWEZNQCLSA-N 0 0 487.880 6.071 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 ZINC000222987485 569896250 /nfs/dbraw/zinc/89/62/50/569896250.db2.gz NZBMRBPDRDXAIQ-MRXNPFEDSA-N 0 0 467.462 5.808 40 0 JKABRN Cc1ccc(CSCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222986607 569896266 /nfs/dbraw/zinc/89/62/66/569896266.db2.gz ASBASPAGXFRSCB-QGZVFWFLSA-N 0 0 481.489 5.867 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222991726 569896398 /nfs/dbraw/zinc/89/63/98/569896398.db2.gz NANRTOXOEVUIPH-QGZVFWFLSA-N 0 0 467.462 5.560 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222991886 569896411 /nfs/dbraw/zinc/89/64/11/569896411.db2.gz GOOQUPBAYARNDE-QGZVFWFLSA-N 0 0 467.462 5.560 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c2)cc1 ZINC000222992695 569896435 /nfs/dbraw/zinc/89/64/35/569896435.db2.gz HNTHJYFHZVPJTD-FQEVSTJZSA-N 0 0 462.615 5.190 40 0 JKABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000222996713 569896531 /nfs/dbraw/zinc/89/65/31/569896531.db2.gz YAWRRIZLJVKCAH-GOSISDBHSA-N 0 0 485.411 5.278 40 0 JKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000222997061 569896535 /nfs/dbraw/zinc/89/65/35/569896535.db2.gz HFYNWZLGMGMUNV-ULURBUQBSA-N 0 0 466.606 6.042 40 0 JKABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223009548 569896718 /nfs/dbraw/zinc/89/67/18/569896718.db2.gz NSLWXQGFPZXUNE-FQEVSTJZSA-N 0 0 453.435 5.088 40 0 JKABRN COc1cccc(CN(C(=O)CCc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223010723 569896756 /nfs/dbraw/zinc/89/67/56/569896756.db2.gz SAMNQHXSVZZLKY-GDLZYMKVSA-N 0 0 486.656 5.349 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc2ccccc21 ZINC000223012842 569896818 /nfs/dbraw/zinc/89/68/18/569896818.db2.gz QMPGGIDCWXGOCF-QGZVFWFLSA-N 0 0 487.427 5.857 40 0 JKABRN CC(C)c1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223013889 569896838 /nfs/dbraw/zinc/89/68/38/569896838.db2.gz NPSWCKRVCVRUGC-QGZVFWFLSA-N 0 0 479.448 5.828 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223013539 569896866 /nfs/dbraw/zinc/89/68/66/569896866.db2.gz BYXJDFNNTIMXOW-KRWDZBQOSA-N 0 0 465.421 5.321 40 0 JKABRN COc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223013038 569896870 /nfs/dbraw/zinc/89/68/70/569896870.db2.gz CSUGENANITZGSR-LJAQVGFWSA-N 0 0 486.656 5.267 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223016122 569896874 /nfs/dbraw/zinc/89/68/74/569896874.db2.gz GBHTVINWEJYYMK-SFHVURJKSA-N 0 0 473.455 5.233 40 0 JKABRN CC(C)c1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223017282 569896891 /nfs/dbraw/zinc/89/68/91/569896891.db2.gz UMFUJQHRUBWFFD-GOSISDBHSA-N 0 0 477.476 6.381 40 0 JKABRN COc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000223016655 569896914 /nfs/dbraw/zinc/89/69/14/569896914.db2.gz JOYQNUWVONOKQU-INIZCTEOSA-N 0 0 495.447 5.275 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223020418 569896929 /nfs/dbraw/zinc/89/69/29/569896929.db2.gz RHGHSLKVEPJTSC-MRXNPFEDSA-N 0 0 493.431 5.029 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000223022243 569896988 /nfs/dbraw/zinc/89/69/88/569896988.db2.gz SKFBJLXEXVDPCX-QGZVFWFLSA-N 0 0 493.475 6.002 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223021602 569896989 /nfs/dbraw/zinc/89/69/89/569896989.db2.gz URRSJSVXLJXOTC-INIZCTEOSA-N 0 0 451.394 5.013 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223021337 569897005 /nfs/dbraw/zinc/89/70/05/569897005.db2.gz HIVRBMIWWLSXRU-KRWDZBQOSA-N 0 0 481.489 5.867 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000223021751 569897030 /nfs/dbraw/zinc/89/70/30/569897030.db2.gz ZYDSSMHIPAEKAF-AWEZNQCLSA-N 0 0 471.812 5.358 40 0 JKABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000223023796 569897045 /nfs/dbraw/zinc/89/70/45/569897045.db2.gz YAPJWPKIHDTPIO-FOIQADDNSA-N 0 0 499.460 5.347 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223023440 569897055 /nfs/dbraw/zinc/89/70/55/569897055.db2.gz WZGOIHPZAMOMTG-CQSZACIVSA-N 0 0 455.813 5.521 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223025459 569897115 /nfs/dbraw/zinc/89/71/15/569897115.db2.gz AKQVZIXADIKNMT-SFHVURJKSA-N 0 0 459.428 5.059 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223025467 569897131 /nfs/dbraw/zinc/89/71/31/569897131.db2.gz WEDPGVWOVQGTIC-HHHXNRCGSA-N 0 0 476.642 5.337 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223025924 569897136 /nfs/dbraw/zinc/89/71/36/569897136.db2.gz QLPFVOQOXRBQPN-MUUNZHRXSA-N 0 0 490.669 5.645 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223028470 569897149 /nfs/dbraw/zinc/89/71/49/569897149.db2.gz JJPXDULGKOJRAF-JKSUJKDBSA-N 0 0 453.435 5.418 40 0 JKABRN COc1cccc(CN(C(=O)CSCc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223028008 569897150 /nfs/dbraw/zinc/89/71/50/569897150.db2.gz HZYFRFMXRFRKDK-MRXNPFEDSA-N 0 0 497.488 5.567 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223028485 569897161 /nfs/dbraw/zinc/89/71/61/569897161.db2.gz ARLQMORRTIMPNG-AREMUKBSSA-N 0 0 480.605 5.167 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223028391 569897176 /nfs/dbraw/zinc/89/71/76/569897176.db2.gz ISSVNPOZLFKKLJ-VWLOTQADSA-N 0 0 480.605 5.167 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223027449 569897190 /nfs/dbraw/zinc/89/71/90/569897190.db2.gz XUTWXSBOAIPRFK-MHZLTWQESA-N 0 0 492.641 5.037 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223029816 569897214 /nfs/dbraw/zinc/89/72/14/569897214.db2.gz RDVXZRBGVQANMR-RUZDIDTESA-N 0 0 492.641 5.037 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223029714 569897236 /nfs/dbraw/zinc/89/72/36/569897236.db2.gz VJEWBEGAXWIXOS-MRXNPFEDSA-N 0 0 497.886 5.528 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(CC)cc1Br ZINC000223030585 569897258 /nfs/dbraw/zinc/89/72/58/569897258.db2.gz FAHYMQLEPPVWLM-IBGZPJMESA-N 0 0 489.454 5.032 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223030127 569897279 /nfs/dbraw/zinc/89/72/79/569897279.db2.gz XUSPTTDFYOWFNF-HXUWFJFHSA-N 0 0 489.454 5.087 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223030288 569897294 /nfs/dbraw/zinc/89/72/94/569897294.db2.gz XIYJJMCOJPUNIL-DLBZAZTESA-N 0 0 467.462 5.559 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)CCCC2 ZINC000223031236 569897301 /nfs/dbraw/zinc/89/73/01/569897301.db2.gz QWKAALFGYSYRSW-MUUNZHRXSA-N 0 0 490.669 5.645 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1Cl ZINC000223031930 569897360 /nfs/dbraw/zinc/89/73/60/569897360.db2.gz WJRJFYFMARMXPX-KRWDZBQOSA-N 0 0 495.845 5.123 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223035267 569897419 /nfs/dbraw/zinc/89/74/19/569897419.db2.gz MDALCAGJBIHIQX-JOCHJYFZSA-N 0 0 468.638 5.059 40 0 JKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000223036004 569897461 /nfs/dbraw/zinc/89/74/61/569897461.db2.gz RMEKTOUXIMKPSB-PKAZHMFMSA-N 0 0 484.527 5.393 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223040618 569897509 /nfs/dbraw/zinc/89/75/09/569897509.db2.gz NKCAGIJCSDWUDD-GOSISDBHSA-N 0 0 481.489 5.869 40 0 JKABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000223040762 569897518 /nfs/dbraw/zinc/89/75/18/569897518.db2.gz TUKAUYGQARAIOT-ZEQRLZLVSA-N 0 0 469.054 5.460 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223040699 569897539 /nfs/dbraw/zinc/89/75/39/569897539.db2.gz FDKNRPMXZNUPEK-MHZLTWQESA-N 0 0 492.641 5.391 40 0 JKABRN CC[C@H](NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000223044149 569897644 /nfs/dbraw/zinc/89/76/44/569897644.db2.gz HDNAGBBFGLJFSM-MHZLTWQESA-N 0 0 476.642 5.413 40 0 JKABRN CCc1ccc(N(CC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccccc2)cc1 ZINC000223045352 569897645 /nfs/dbraw/zinc/89/76/45/569897645.db2.gz DGMSUSQIDWMXLY-NDEPHWFRSA-N 0 0 490.669 5.591 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000223046845 569897670 /nfs/dbraw/zinc/89/76/70/569897670.db2.gz GYBJURUAVXSLOK-HHHXNRCGSA-N 0 0 476.642 5.413 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Br)cc1 ZINC000223048297 569897716 /nfs/dbraw/zinc/89/77/16/569897716.db2.gz XQAPHTUTPXYMAK-IBGZPJMESA-N 0 0 491.495 5.324 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223047882 569897739 /nfs/dbraw/zinc/89/77/39/569897739.db2.gz NLMLDIPRDYNCTP-SFHVURJKSA-N 0 0 481.489 5.869 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223047817 569897746 /nfs/dbraw/zinc/89/77/46/569897746.db2.gz NLMLDIPRDYNCTP-GOSISDBHSA-N 0 0 481.489 5.869 40 0 JKABRN 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Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c2cc(C)ccc2C)cc1 ZINC000223551632 569915646 /nfs/dbraw/zinc/91/56/46/569915646.db2.gz MNHFQFHWWKSVCZ-UHFFFAOYSA-N 0 0 499.636 5.432 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1Cc1ccccn1 ZINC000223551278 569915688 /nfs/dbraw/zinc/91/56/88/569915688.db2.gz NMWAHGRHMPFVAV-XZOQPEGZSA-N 0 0 479.030 6.047 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223550914 569915697 /nfs/dbraw/zinc/91/56/97/569915697.db2.gz YMAXPDICGJCWSQ-INIZCTEOSA-N 0 0 453.435 5.088 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1Cc1ccccn1 ZINC000223552420 569915709 /nfs/dbraw/zinc/91/57/09/569915709.db2.gz VQETXHMRBDZVCL-PKTZIBPZSA-N 0 0 491.414 5.672 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1Cc1ccccn1 ZINC000223552322 569915752 /nfs/dbraw/zinc/91/57/52/569915752.db2.gz VQETXHMRBDZVCL-DHIUTWEWSA-N 0 0 491.414 5.672 40 0 JKABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000223555065 569915826 /nfs/dbraw/zinc/91/58/26/569915826.db2.gz IHKNPRCXVYNYLL-RUZDIDTESA-N 0 0 499.438 6.044 40 0 JKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223554993 569915833 /nfs/dbraw/zinc/91/58/33/569915833.db2.gz DQGBXAMOJWGITP-BJKOFHAPSA-N 0 0 460.990 5.871 40 0 JKABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223557554 569915868 /nfs/dbraw/zinc/91/58/68/569915868.db2.gz ZZDANSPFFCFNAZ-FQEVSTJZSA-N 0 0 461.071 5.588 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000223556361 569915881 /nfs/dbraw/zinc/91/58/81/569915881.db2.gz HHDSGWNWFXEJDX-UHFFFAOYSA-N 0 0 499.636 5.432 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c4c(cccc42)CC3)c2ccc(C)c(C)c2)cc1 ZINC000223556914 569915901 /nfs/dbraw/zinc/91/59/01/569915901.db2.gz SSTTTXFNWWRQOD-UHFFFAOYSA-N 0 0 484.621 5.698 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223558699 569915940 /nfs/dbraw/zinc/91/59/40/569915940.db2.gz FXRICBNBYCFMEF-UHFFFAOYSA-N 0 0 499.636 5.377 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2ccc(C(C)C)cc2)cc1 ZINC000223559651 569916032 /nfs/dbraw/zinc/91/60/32/569916032.db2.gz CHSWJJFOAWGDIW-UHFFFAOYSA-N 0 0 458.668 5.645 40 0 JKABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223559980 569916042 /nfs/dbraw/zinc/91/60/42/569916042.db2.gz TVXZQJXFTBROCE-QFIPXVFZSA-N 0 0 458.668 5.646 40 0 JKABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000223561524 569916121 /nfs/dbraw/zinc/91/61/21/569916121.db2.gz MLPJJDBJWZAJAC-NDEPHWFRSA-N 0 0 458.602 5.314 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c4c(cccc42)CC3)c2ccc(C(C)C)cc2)cc1 ZINC000223561640 569916160 /nfs/dbraw/zinc/91/61/60/569916160.db2.gz CHAMMYSSTMKRQS-UHFFFAOYSA-N 0 0 498.648 6.204 40 0 JKABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 ZINC000223565156 569916295 /nfs/dbraw/zinc/91/62/95/569916295.db2.gz ZQFHCRHLAVYCNX-SSEXGKCCSA-N 0 0 493.607 5.109 40 0 JKABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223566663 569916371 /nfs/dbraw/zinc/91/63/71/569916371.db2.gz BOPJOQFHYAINNE-HHHXNRCGSA-N 0 0 479.020 5.578 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c4c(cccc42)CC3)c2ccc(Cl)cc2)cc1 ZINC000223567019 569916375 /nfs/dbraw/zinc/91/63/75/569916375.db2.gz LRMYXBUVWBWHQW-UHFFFAOYSA-N 0 0 491.012 5.734 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000223570337 569916436 /nfs/dbraw/zinc/91/64/36/569916436.db2.gz JKFGHXMFFFFHNU-QFIPXVFZSA-N 0 0 479.448 5.711 40 0 JKABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223569991 569916462 /nfs/dbraw/zinc/91/64/62/569916462.db2.gz YARHKQGJOKSYBC-IBGZPJMESA-N 0 0 495.483 5.285 40 0 JKABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223570180 569916466 /nfs/dbraw/zinc/91/64/66/569916466.db2.gz BOTDYCOITDVUIC-MUUNZHRXSA-N 0 0 493.047 5.968 40 0 JKABRN CCc1ccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(Br)c1 ZINC000223573662 569916471 /nfs/dbraw/zinc/91/64/71/569916471.db2.gz TZJLFTHEYUDZPT-UHFFFAOYSA-N 0 0 452.761 5.201 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000223572628 569916502 /nfs/dbraw/zinc/91/65/02/569916502.db2.gz WOFQDKGUNFVQEH-NEKDWFFYSA-N 0 0 491.075 6.136 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223572484 569916517 /nfs/dbraw/zinc/91/65/17/569916517.db2.gz IQTFKRMVIKKGML-FNZWTVRRSA-N 0 0 497.466 6.091 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223574264 569916551 /nfs/dbraw/zinc/91/65/51/569916551.db2.gz XOIWQNNFZMQQDQ-OAQYLSRUSA-N 0 0 499.866 6.056 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223576607 569916616 /nfs/dbraw/zinc/91/66/16/569916616.db2.gz CJTZHMQGEXOCMC-NEKDWFFYSA-N 0 0 491.075 6.054 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223577545 569916624 /nfs/dbraw/zinc/91/66/24/569916624.db2.gz URBCWISLBNQGCF-JOCHJYFZSA-N 0 0 463.449 5.875 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223577254 569916658 /nfs/dbraw/zinc/91/66/58/569916658.db2.gz ZKKLFBMIMDDCLK-OAQYLSRUSA-N 0 0 465.421 5.267 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000223583219 569916872 /nfs/dbraw/zinc/91/68/72/569916872.db2.gz GJOPKWGDQDPHPM-IBGZPJMESA-N 0 0 469.384 5.233 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(C)c1 ZINC000223582880 569916901 /nfs/dbraw/zinc/91/69/01/569916901.db2.gz HMOBYLKPTKUFCU-OAQYLSRUSA-N 0 0 465.421 5.403 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(C)c1C ZINC000223583791 569916909 /nfs/dbraw/zinc/91/69/09/569916909.db2.gz VWVRXMRPCMOZHG-OAQYLSRUSA-N 0 0 479.448 5.711 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223584955 569916913 /nfs/dbraw/zinc/91/69/13/569916913.db2.gz RFYRLOAUSCVFMI-HXUWFJFHSA-N 0 0 487.830 6.051 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223584548 569916919 /nfs/dbraw/zinc/91/69/19/569916919.db2.gz NTJIINMFSGZHJA-HXUWFJFHSA-N 0 0 469.840 5.911 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000223584722 569916934 /nfs/dbraw/zinc/91/69/34/569916934.db2.gz ANRVADDKQBLGSA-WXVAWEFUSA-N 0 0 477.048 5.746 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223586151 569917030 /nfs/dbraw/zinc/91/70/30/569917030.db2.gz KKXDUHAEWZXPHQ-HXUWFJFHSA-N 0 0 481.420 5.103 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223587753 569917070 /nfs/dbraw/zinc/91/70/70/569917070.db2.gz URFHWEYXTLBBIY-JOCHJYFZSA-N 0 0 477.070 5.304 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223588250 569917083 /nfs/dbraw/zinc/91/70/83/569917083.db2.gz RFXXRDPPMAJTHI-JOCHJYFZSA-N 0 0 477.070 5.553 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1cccc(C)c1 ZINC000223592288 569917107 /nfs/dbraw/zinc/91/71/07/569917107.db2.gz FHQUEZQDWMXBRW-CUNXSJBXSA-N 0 0 493.047 5.582 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000223590445 569917110 /nfs/dbraw/zinc/91/71/10/569917110.db2.gz NGGWYXDCVXLDAG-UHFFFAOYSA-N 0 0 469.434 5.194 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223593037 569917161 /nfs/dbraw/zinc/91/71/61/569917161.db2.gz SKVVKJJHSXKEPN-RXFWQSSRSA-N 0 0 497.010 5.413 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000223594812 569917256 /nfs/dbraw/zinc/91/72/56/569917256.db2.gz VLUMFZRXEDCTKQ-FNZWTVRRSA-N 0 0 481.011 5.576 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223596929 569917304 /nfs/dbraw/zinc/91/73/04/569917304.db2.gz HXCLFPIHVCOEMY-NEKDWFFYSA-N 0 0 491.075 6.054 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000223596801 569917309 /nfs/dbraw/zinc/91/73/09/569917309.db2.gz BDAYLTIXLMPNGD-CUNXSJBXSA-N 0 0 477.048 5.746 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2ccc(Cl)cc2C)cc1 ZINC000223599380 569917407 /nfs/dbraw/zinc/91/74/07/569917407.db2.gz WDHSSWCAKAGZGC-UHFFFAOYSA-N 0 0 491.440 5.164 40 0 JKABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000223599950 569917467 /nfs/dbraw/zinc/91/74/67/569917467.db2.gz LJPSRESVHLZJMI-FQEVSTJZSA-N 0 0 465.059 5.485 40 0 JKABRN CCCC[C@@H](CC)CNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000223602208 569917542 /nfs/dbraw/zinc/91/75/42/569917542.db2.gz SZNZFEKCVVTQBX-HXUWFJFHSA-N 0 0 465.059 5.485 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223604398 569917549 /nfs/dbraw/zinc/91/75/49/569917549.db2.gz 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5.457 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)c(C)c2)cc1 ZINC000223773236 569922826 /nfs/dbraw/zinc/92/28/26/569922826.db2.gz KRZGEPBPYWZEKR-UIOOFZCWSA-N 0 0 454.599 5.675 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(Cl)cc3)o2)cc1 ZINC000223774516 569922844 /nfs/dbraw/zinc/92/28/44/569922844.db2.gz CTSOBQKXTPMHPW-ZEQRLZLVSA-N 0 0 494.041 6.665 40 0 JKABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)o2)cc1 ZINC000223775689 569922928 /nfs/dbraw/zinc/92/29/28/569922928.db2.gz PJCZIPSJKPDEIR-FTJBHMTQSA-N 0 0 471.582 5.926 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(Cl)cc3)o2)cc1 ZINC000223774650 569922930 /nfs/dbraw/zinc/92/29/30/569922930.db2.gz CTSOBQKXTPMHPW-DNQXCXABSA-N 0 0 494.041 6.665 40 0 JKABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)o2)cc1 ZINC000223775629 569922937 /nfs/dbraw/zinc/92/29/37/569922937.db2.gz PJCZIPSJKPDEIR-CLJLJLNGSA-N 0 0 471.582 5.926 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000223776619 569922958 /nfs/dbraw/zinc/92/29/58/569922958.db2.gz HSYSARXHSKYUND-ZEQRLZLVSA-N 0 0 496.419 6.834 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223777526 569922985 /nfs/dbraw/zinc/92/29/85/569922985.db2.gz XWPIUHSVFKUMBA-VWLOTQADSA-N 0 0 499.438 5.321 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223782217 569923109 /nfs/dbraw/zinc/92/31/09/569923109.db2.gz GQGAZSBQISYXCK-QFIPXVFZSA-N 0 0 479.448 5.713 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(Br)cc1 ZINC000223781923 569923110 /nfs/dbraw/zinc/92/31/10/569923110.db2.gz ZVEOYDMBUGEUSM-MRXNPFEDSA-N 0 0 497.886 5.279 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223782362 569923117 /nfs/dbraw/zinc/92/31/17/569923117.db2.gz LLLKUSZCJSZIDB-DEOSSOPVSA-N 0 0 473.057 5.740 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000223782093 569923133 /nfs/dbraw/zinc/92/31/33/569923133.db2.gz MXGWXSSFWDOWFU-OAHLLOKOSA-N 0 0 471.425 5.309 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223781559 569923156 /nfs/dbraw/zinc/92/31/56/569923156.db2.gz RLTVSOIWEQNWSJ-HNNXBMFYSA-N 0 0 487.880 5.824 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223809068 569923985 /nfs/dbraw/zinc/92/39/85/569923985.db2.gz AOCJDGZVPWFLCW-NRFANRHFSA-N 0 0 469.840 5.913 40 0 JKABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)o1 ZINC000223783568 569923164 /nfs/dbraw/zinc/92/31/64/569923164.db2.gz MZUWDDJMNRVOFO-LOSJGSFVSA-N 0 0 485.565 5.314 40 0 JKABRN COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)o2)cc1 ZINC000223783030 569923194 /nfs/dbraw/zinc/92/31/94/569923194.db2.gz ZGDOFMHXDMNBOL-RPBOFIJWSA-N 0 0 485.565 5.314 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 ZINC000223783283 569923207 /nfs/dbraw/zinc/92/32/07/569923207.db2.gz GDURNTPXEVKNHE-QHCPKHFHSA-N 0 0 461.071 5.687 40 0 JKABRN C[C@@H](C(=O)Nc1ccc2c3c(cccc31)CC2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223782547 569923209 /nfs/dbraw/zinc/92/32/09/569923209.db2.gz BYWJVOXNDXRGFJ-IBGZPJMESA-N 0 0 486.593 5.524 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 ZINC000223785128 569923222 /nfs/dbraw/zinc/92/32/22/569923222.db2.gz IPQWIJHRADNOEQ-RBUKOAKNSA-N 0 0 460.422 5.481 40 0 JKABRN Cc1ccccc1CN(C(=O)CCCN1c2cccc3cccc(c23)C1=O)[C@@H](C)C(=O)NC1CCCC1 ZINC000223785065 569923227 /nfs/dbraw/zinc/92/32/27/569923227.db2.gz GWRBKISPYLZMNA-QFIPXVFZSA-N 0 0 497.639 5.365 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1OCC ZINC000223784645 569923230 /nfs/dbraw/zinc/92/32/30/569923230.db2.gz ZDQRTJVXBHAODL-QFIPXVFZSA-N 0 0 480.649 5.201 40 0 JKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000223784415 569923254 /nfs/dbraw/zinc/92/32/54/569923254.db2.gz SWKXIRHKDYALGJ-AMCKHAKVSA-N 0 0 460.599 5.554 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000223788341 569923314 /nfs/dbraw/zinc/92/33/14/569923314.db2.gz WFGCIFLKKFZZQB-DHIUTWEWSA-N 0 0 475.643 5.521 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000223788206 569923320 /nfs/dbraw/zinc/92/33/20/569923320.db2.gz WFGCIFLKKFZZQB-GOTSBHOMSA-N 0 0 475.643 5.521 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000223788292 569923326 /nfs/dbraw/zinc/92/33/26/569923326.db2.gz WFGCIFLKKFZZQB-XZOQPEGZSA-N 0 0 475.643 5.521 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1 ZINC000223787910 569923332 /nfs/dbraw/zinc/92/33/32/569923332.db2.gz FYOQAHBZLRRWAO-SXOMAYOGSA-N 0 0 483.641 5.519 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccccc3C(C)C)c(Cl)c2)cc1 ZINC000223788540 569923397 /nfs/dbraw/zinc/92/33/97/569923397.db2.gz OPFCBUBFQCYIBR-UHFFFAOYSA-N 0 0 487.021 5.381 40 0 JKABRN CC(C)(C)CC(C)(C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223789798 569923402 /nfs/dbraw/zinc/92/34/02/569923402.db2.gz PTNBAEPGMGHAHP-UHFFFAOYSA-N 0 0 471.450 5.520 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cn2)cc1 ZINC000223788552 569923412 /nfs/dbraw/zinc/92/34/12/569923412.db2.gz SYEOAOTWZRBLRN-JWQCQUIFSA-N 0 0 455.587 5.152 40 0 JKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1OC ZINC000223789986 569923427 /nfs/dbraw/zinc/92/34/27/569923427.db2.gz IXHYBAARGBUYLK-IWQUUTMOSA-N 0 0 478.614 5.440 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1 ZINC000223790050 569923441 /nfs/dbraw/zinc/92/34/41/569923441.db2.gz LTGQAHJMMMPDAI-DQEYMECFSA-N 0 0 493.007 6.241 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223790578 569923444 /nfs/dbraw/zinc/92/34/44/569923444.db2.gz DWEGDOYZHOSHFH-JWQCQUIFSA-N 0 0 475.017 6.102 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223790433 569923457 /nfs/dbraw/zinc/92/34/57/569923457.db2.gz DWEGDOYZHOSHFH-DQEYMECFSA-N 0 0 475.017 6.102 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223792504 569923480 /nfs/dbraw/zinc/92/34/80/569923480.db2.gz XNUBBHGCSIBKME-HSZRJFAPSA-N 0 0 459.030 5.566 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223792566 569923495 /nfs/dbraw/zinc/92/34/95/569923495.db2.gz XNUBBHGCSIBKME-QHCPKHFHSA-N 0 0 459.030 5.566 40 0 JKABRN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)S(C)(=O)=O)cc1C ZINC000223793086 569923507 /nfs/dbraw/zinc/92/35/07/569923507.db2.gz DDDNOIAYLSNWDK-UHFFFAOYSA-N 0 0 498.604 6.421 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000223792364 569923515 /nfs/dbraw/zinc/92/35/15/569923515.db2.gz RPOWIHINGJHTON-HSZRJFAPSA-N 0 0 473.057 5.740 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(C)cc3)o2)cc1 ZINC000223793137 569923525 /nfs/dbraw/zinc/92/35/25/569923525.db2.gz DDEGQHCUROXYKM-IZZNHLLZSA-N 0 0 487.650 6.710 40 0 JKABRN Cc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223794343 569923528 /nfs/dbraw/zinc/92/35/28/569923528.db2.gz ADATYLPRGDZUMI-IBGZPJMESA-N 0 0 459.055 5.607 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223794001 569923541 /nfs/dbraw/zinc/92/35/41/569923541.db2.gz PUCMRWQDXAAXQS-NRFANRHFSA-N 0 0 453.385 5.399 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 ZINC000223793889 569923568 /nfs/dbraw/zinc/92/35/68/569923568.db2.gz HCKODKXEIAVOGF-FTJBHMTQSA-N 0 0 460.647 6.191 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccccc3)c2C)cc1 ZINC000223794758 569923583 /nfs/dbraw/zinc/92/35/83/569923583.db2.gz LRQNFXWSGBLPET-NSOVKSMOSA-N 0 0 482.653 6.124 40 0 JKABRN Cc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223794383 569923584 /nfs/dbraw/zinc/92/35/84/569923584.db2.gz ADATYLPRGDZUMI-LJQANCHMSA-N 0 0 459.055 5.607 40 0 JKABRN Cc1cccc(CN(C(=O)CSCc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223794759 569923615 /nfs/dbraw/zinc/92/36/15/569923615.db2.gz KCAIPCGBTLMPRW-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C ZINC000223796089 569923666 /nfs/dbraw/zinc/92/36/66/569923666.db2.gz FMLRFJIPMZEICT-QHCPKHFHSA-N 0 0 461.071 5.605 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1Cl ZINC000223796375 569923667 /nfs/dbraw/zinc/92/36/67/569923667.db2.gz NZOLVQDIZHFRAL-QFIPXVFZSA-N 0 0 481.489 5.950 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223797157 569923680 /nfs/dbraw/zinc/92/36/80/569923680.db2.gz DYLWEBRJYQIANX-HSZRJFAPSA-N 0 0 477.070 5.306 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000223806882 569923926 /nfs/dbraw/zinc/92/39/26/569923926.db2.gz YXELTKMVNKZOCS-HXUWFJFHSA-N 0 0 451.394 5.096 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ZINC000223851751 569925118 /nfs/dbraw/zinc/92/51/18/569925118.db2.gz NNKPKJILPXGISU-HXUWFJFHSA-N 0 0 469.069 6.046 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C)cc1C ZINC000223853252 569925153 /nfs/dbraw/zinc/92/51/53/569925153.db2.gz OQPUKKVUIJPULC-QFIPXVFZSA-N 0 0 479.448 5.713 40 0 JKABRN Cc1ccc(OCCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223852935 569925171 /nfs/dbraw/zinc/92/51/71/569925171.db2.gz HGTLWSPLRXWPMQ-FQEVSTJZSA-N 0 0 457.014 5.284 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223853063 569925181 /nfs/dbraw/zinc/92/51/81/569925181.db2.gz AAUXSUUOBJXDSU-SFHVURJKSA-N 0 0 477.432 5.629 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223854241 569925228 /nfs/dbraw/zinc/92/52/28/569925228.db2.gz XMNODUKFSPZCQN-OAQYLSRUSA-N 0 0 487.830 6.052 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc(C)cc1 ZINC000223856154 569925241 /nfs/dbraw/zinc/92/52/41/569925241.db2.gz HUFAITAXIUHIEL-JOCHJYFZSA-N 0 0 481.489 6.118 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1 ZINC000223856471 569925242 /nfs/dbraw/zinc/92/52/42/569925242.db2.gz FFSJATCHYYJANV-QFIPXVFZSA-N 0 0 481.489 5.950 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)ccc1Cl ZINC000223856093 569925245 /nfs/dbraw/zinc/92/52/45/569925245.db2.gz WYOYQSTWPXSRIS-QGZVFWFLSA-N 0 0 463.405 5.157 40 0 JKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223856609 569925250 /nfs/dbraw/zinc/92/52/50/569925250.db2.gz LGNSCKOBAHNARO-LJQANCHMSA-N 0 0 457.014 5.318 40 0 JKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223856561 569925254 /nfs/dbraw/zinc/92/52/54/569925254.db2.gz LGNSCKOBAHNARO-IBGZPJMESA-N 0 0 457.014 5.318 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223855955 569925263 /nfs/dbraw/zinc/92/52/63/569925263.db2.gz SDMJTGSMVXWYMR-LJQANCHMSA-N 0 0 471.041 5.492 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223855890 569925274 /nfs/dbraw/zinc/92/52/74/569925274.db2.gz SDMJTGSMVXWYMR-IBGZPJMESA-N 0 0 471.041 5.492 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc(C)c1Cl ZINC000223855804 569925280 /nfs/dbraw/zinc/92/52/80/569925280.db2.gz CTLJRVVVOLYRLP-GOSISDBHSA-N 0 0 477.432 5.465 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000223856896 569925307 /nfs/dbraw/zinc/92/53/07/569925307.db2.gz YXZBANAPVQILJF-LJQANCHMSA-N 0 0 459.055 5.439 40 0 JKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccccc2)s1 ZINC000223860350 569925406 /nfs/dbraw/zinc/92/54/06/569925406.db2.gz OXGIZUBSLZVVJA-UHFFFAOYSA-N 0 0 456.445 6.009 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1F ZINC000223863063 569925522 /nfs/dbraw/zinc/92/55/22/569925522.db2.gz OQENJHDKQTXBMS-QGZVFWFLSA-N 0 0 463.018 5.188 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223865662 569925561 /nfs/dbraw/zinc/92/55/61/569925561.db2.gz LRBGFSKEQYXJJP-HNNXBMFYSA-N 0 0 451.369 5.151 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000223866886 569925599 /nfs/dbraw/zinc/92/55/99/569925599.db2.gz VSLYMHNJBHTVDN-MRXNPFEDSA-N 0 0 451.394 5.049 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223866283 569925601 /nfs/dbraw/zinc/92/56/01/569925601.db2.gz UKPUEFCINIFZQP-INIZCTEOSA-N 0 0 465.421 5.223 40 0 JKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223869664 569925728 /nfs/dbraw/zinc/92/57/28/569925728.db2.gz SCEFKTKGZIRDRS-JWQCQUIFSA-N 0 0 456.571 5.154 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)cc1 ZINC000223871247 569925770 /nfs/dbraw/zinc/92/57/70/569925770.db2.gz KGIIOXWULJGNFS-SVBPBHIXSA-N 0 0 462.578 5.908 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(Cl)cc3)o2)cc1 ZINC000223871921 569925773 /nfs/dbraw/zinc/92/57/73/569925773.db2.gz JOAIBLZSKGHDHS-XZOQPEGZSA-N 0 0 480.014 6.362 40 0 JKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)cc1 ZINC000223871295 569925774 /nfs/dbraw/zinc/92/57/74/569925774.db2.gz KGIIOXWULJGNFS-SXOMAYOGSA-N 0 0 462.578 5.908 40 0 JKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000223874455 569925846 /nfs/dbraw/zinc/92/58/46/569925846.db2.gz RGSPTAMBFVYUOO-PKTZIBPZSA-N 0 0 482.392 6.531 40 0 JKABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223875273 569925856 /nfs/dbraw/zinc/92/58/56/569925856.db2.gz KBCZVZPKKNQMEU-ZEQRLZLVSA-N 0 0 461.974 6.186 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)cc1Cl ZINC000223875641 569925858 /nfs/dbraw/zinc/92/58/58/569925858.db2.gz KJFPDHRQGLKRCV-UHFFFAOYSA-N 0 0 463.342 5.298 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000223874638 569925861 /nfs/dbraw/zinc/92/58/61/569925861.db2.gz DWJYPCWQWWBZBK-GOTSBHOMSA-N 0 0 482.392 6.531 40 0 JKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223875219 569925864 /nfs/dbraw/zinc/92/58/64/569925864.db2.gz KBCZVZPKKNQMEU-BJKOFHAPSA-N 0 0 461.974 6.186 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000223875463 569925888 /nfs/dbraw/zinc/92/58/88/569925888.db2.gz DSQNDAZQJFXZFA-MRXNPFEDSA-N 0 0 465.421 5.223 40 0 JKABRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1Cl ZINC000223876919 569925937 /nfs/dbraw/zinc/92/59/37/569925937.db2.gz JSXCIAZBUCYXGP-BJKOFHAPSA-N 0 0 461.974 6.186 40 0 JKABRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1Cl ZINC000223876814 569925943 /nfs/dbraw/zinc/92/59/43/569925943.db2.gz JSXCIAZBUCYXGP-DNQXCXABSA-N 0 0 461.974 6.186 40 0 JKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223879212 569925988 /nfs/dbraw/zinc/92/59/88/569925988.db2.gz KHMANEPLYWCGJN-FTJBHMTQSA-N 0 0 454.599 5.680 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1C ZINC000223879097 569925996 /nfs/dbraw/zinc/92/59/96/569925996.db2.gz MQANQZQIJSUXAG-INIZCTEOSA-N 0 0 453.435 5.088 40 0 JKABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O ZINC000223879417 569926009 /nfs/dbraw/zinc/92/60/09/569926009.db2.gz VICMHEOTGDVPJA-ZIJNUJLOSA-N 0 0 474.711 5.253 40 0 JKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223879323 569926015 /nfs/dbraw/zinc/92/60/15/569926015.db2.gz KHMANEPLYWCGJN-UIOOFZCWSA-N 0 0 454.599 5.680 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223879687 569926068 /nfs/dbraw/zinc/92/60/68/569926068.db2.gz FRCPCRHLRNPMPK-CQSZACIVSA-N 0 0 473.853 5.433 40 0 JKABRN COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223881965 569926146 /nfs/dbraw/zinc/92/61/46/569926146.db2.gz CQXVTORVYIXVKP-ZEQRLZLVSA-N 0 0 471.538 5.011 40 0 JKABRN COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223881859 569926171 /nfs/dbraw/zinc/92/61/71/569926171.db2.gz CQXVTORVYIXVKP-RPWUZVMVSA-N 0 0 471.538 5.011 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223883282 569926206 /nfs/dbraw/zinc/92/62/06/569926206.db2.gz AOXFQVUMVFTIPI-NRFANRHFSA-N 0 0 469.840 5.913 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 ZINC000223883556 569926219 /nfs/dbraw/zinc/92/62/19/569926219.db2.gz SCNONCPRZCENGE-MOPGFXCFSA-N 0 0 459.438 5.149 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 ZINC000223883508 569926232 /nfs/dbraw/zinc/92/62/32/569926232.db2.gz SCNONCPRZCENGE-OALUTQOASA-N 0 0 459.438 5.149 40 0 JKABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223884247 569926257 /nfs/dbraw/zinc/92/62/57/569926257.db2.gz RDNSNJRZYCXHQH-UHFFFAOYSA-N 0 0 472.422 7.057 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223884936 569926258 /nfs/dbraw/zinc/92/62/58/569926258.db2.gz CDUOFUPNQWRRBK-OAHLLOKOSA-N 0 0 471.425 5.309 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223884539 569926277 /nfs/dbraw/zinc/92/62/77/569926277.db2.gz ZDJWUXFKLDWTAQ-QGZVFWFLSA-N 0 0 451.007 5.295 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1Cc1ccncc1 ZINC000223886651 569926298 /nfs/dbraw/zinc/92/62/98/569926298.db2.gz BMNMAQWETZTAEW-RRPNLBNLSA-N 0 0 482.657 5.186 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2nc3ccccc3s2)cc1 ZINC000223887552 569926299 /nfs/dbraw/zinc/92/62/99/569926299.db2.gz NUHMCYVDGBOTMY-LOSJGSFVSA-N 0 0 496.665 5.725 40 0 JKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1Cc1ccncc1 ZINC000223886535 569926308 /nfs/dbraw/zinc/92/63/08/569926308.db2.gz BMNMAQWETZTAEW-KAYWLYCHSA-N 0 0 482.657 5.186 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccnc1 ZINC000223888077 569926309 /nfs/dbraw/zinc/92/63/09/569926309.db2.gz KGQZFFROTKQQIJ-UIOOFZCWSA-N 0 0 468.630 5.127 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223887656 569926317 /nfs/dbraw/zinc/92/63/17/569926317.db2.gz LMEJHSQPWARFPV-HXUWFJFHSA-N 0 0 452.614 5.532 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSCc1ccccc1 ZINC000223889154 569926345 /nfs/dbraw/zinc/92/63/45/569926345.db2.gz VJRKMXCHDFUOHP-QHCPKHFHSA-N 0 0 495.516 6.340 40 0 JKABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223889121 569926353 /nfs/dbraw/zinc/92/63/53/569926353.db2.gz YVIJDDDKEWYSGO-CLJLJLNGSA-N 0 0 469.614 5.124 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223889401 569926358 /nfs/dbraw/zinc/92/63/58/569926358.db2.gz ZTCOYBBZBKIVHJ-LOSJGSFVSA-N 0 0 474.033 5.769 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(CC)cc1 ZINC000223888713 569926389 /nfs/dbraw/zinc/92/63/89/569926389.db2.gz 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ZINC000223941201 569927916 /nfs/dbraw/zinc/92/79/16/569927916.db2.gz DHIFIXIFESWOTR-QGZVFWFLSA-N 0 0 479.473 5.870 40 0 JKABRN Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223941561 569927917 /nfs/dbraw/zinc/92/79/17/569927917.db2.gz MCAWRFDXQAIRKK-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223942607 569927930 /nfs/dbraw/zinc/92/79/30/569927930.db2.gz VSMDXSJXOKMHSD-VSGBNLITSA-N 0 0 495.652 5.194 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223942705 569927974 /nfs/dbraw/zinc/92/79/74/569927974.db2.gz HVEZOAWCOXAEJA-NRFANRHFSA-N 0 0 469.384 5.235 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2C)cc1 ZINC000223944665 569928005 /nfs/dbraw/zinc/92/80/05/569928005.db2.gz NGFZUWIOYOEHNG-UHFFFAOYSA-N 0 0 471.582 5.342 40 0 JKABRN Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223943752 569928039 /nfs/dbraw/zinc/92/80/39/569928039.db2.gz GIIQMPPCMJWPNB-SVBPBHIXSA-N 0 0 499.615 5.025 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223946946 569928048 /nfs/dbraw/zinc/92/80/48/569928048.db2.gz SWOUYHBQGYDBLF-VWLOTQADSA-N 0 0 470.679 5.269 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2C)cc1C ZINC000223947358 569928064 /nfs/dbraw/zinc/92/80/64/569928064.db2.gz BBNJGYRUUNRQCY-UHFFFAOYSA-N 0 0 456.995 5.039 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1Cl ZINC000223947073 569928074 /nfs/dbraw/zinc/92/80/74/569928074.db2.gz VXTZLGOAKJECHI-QHCPKHFHSA-N 0 0 477.070 5.306 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2C)c1C ZINC000223946857 569928092 /nfs/dbraw/zinc/92/80/92/569928092.db2.gz JYHDOGGUHDQITC-UHFFFAOYSA-N 0 0 494.657 5.519 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223946354 569928105 /nfs/dbraw/zinc/92/81/05/569928105.db2.gz OCDIZKUVCSBTQE-JOCHJYFZSA-N 0 0 463.043 5.164 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1c1ccc(N2CCOCC2)cc1 ZINC000223948477 569928163 /nfs/dbraw/zinc/92/81/63/569928163.db2.gz LRIZIOVCYGPABR-RRPNLBNLSA-N 0 0 482.609 5.355 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2C)c1 ZINC000223950680 569928213 /nfs/dbraw/zinc/92/82/13/569928213.db2.gz JSNLEHKGTHDLHW-UHFFFAOYSA-N 0 0 484.577 6.564 40 0 JKABRN O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223953064 569928232 /nfs/dbraw/zinc/92/82/32/569928232.db2.gz LEQWBKFDOPIGJV-SFHVURJKSA-N 0 0 459.040 5.335 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223955182 569928342 /nfs/dbraw/zinc/92/83/42/569928342.db2.gz DQYUEGNAVHPBFE-LJQANCHMSA-N 0 0 483.439 6.069 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 ZINC000223959874 569928491 /nfs/dbraw/zinc/92/84/91/569928491.db2.gz YDTSYMAUOMEAGA-OALUTQOASA-N 0 0 473.421 5.041 40 0 JKABRN Cc1ccc(OCCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223963525 569928599 /nfs/dbraw/zinc/92/85/99/569928599.db2.gz VHXAHPXTOUVMGJ-IBGZPJMESA-N 0 0 491.459 5.937 40 0 JKABRN Cc1ccc(OCCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223963583 569928600 /nfs/dbraw/zinc/92/86/00/569928600.db2.gz VHXAHPXTOUVMGJ-LJQANCHMSA-N 0 0 491.459 5.937 40 0 JKABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223963181 569928614 /nfs/dbraw/zinc/92/86/14/569928614.db2.gz LDKCVJMHCFVGQH-GOSISDBHSA-N 0 0 477.432 5.465 40 0 JKABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(C)=O)cc1 ZINC000223965817 569928727 /nfs/dbraw/zinc/92/87/27/569928727.db2.gz JSTQGGDHKVLVJJ-FTJBHMTQSA-N 0 0 483.597 5.016 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc2ccccc21 ZINC000223966106 569928750 /nfs/dbraw/zinc/92/87/50/569928750.db2.gz PINBOEQIJMMYJP-SFHVURJKSA-N 0 0 499.438 6.002 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223965540 569928784 /nfs/dbraw/zinc/92/87/84/569928784.db2.gz QCIZHLIDAMOXTF-GOSISDBHSA-N 0 0 489.454 5.069 40 0 JKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223967205 569928793 /nfs/dbraw/zinc/92/87/93/569928793.db2.gz STLFDRLEJQLKJI-GOSISDBHSA-N 0 0 491.459 5.972 40 0 JKABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223967330 569928798 /nfs/dbraw/zinc/92/87/98/569928798.db2.gz NSHXXFXAMNBRCB-LJQANCHMSA-N 0 0 491.459 5.774 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSCc1ccccc1 ZINC000223967477 569928807 /nfs/dbraw/zinc/92/88/07/569928807.db2.gz HIJFXPZEZWLMER-GOSISDBHSA-N 0 0 493.500 6.093 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000223966637 569928813 /nfs/dbraw/zinc/92/88/13/569928813.db2.gz AQPCVBYQYOMTGF-IZZNHLLZSA-N 0 0 467.598 5.316 40 0 JKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223969474 569928890 /nfs/dbraw/zinc/92/88/90/569928890.db2.gz WUPIAOSQNHFHFE-SFHVURJKSA-N 0 0 461.433 5.629 40 0 JKABRN Cc1c(Cl)cccc1N(CCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(C)(=O)=O ZINC000223968890 569928912 /nfs/dbraw/zinc/92/89/12/569928912.db2.gz IUQJARXAZJVUFK-UHFFFAOYSA-N 0 0 499.445 5.005 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccccc3)c2C)cc1 ZINC000223971730 569928926 /nfs/dbraw/zinc/92/89/26/569928926.db2.gz FMPSZYYGSPDRIW-WUFINQPMSA-N 0 0 495.652 5.684 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2C)c(C)c1 ZINC000223971320 569928966 /nfs/dbraw/zinc/92/89/66/569928966.db2.gz DSXWGSNINWMIKR-UHFFFAOYSA-N 0 0 456.995 5.039 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223969772 569928979 /nfs/dbraw/zinc/92/89/79/569928979.db2.gz AASPGQPLNHTGGH-IBGZPJMESA-N 0 0 473.455 5.449 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223970164 569928986 /nfs/dbraw/zinc/92/89/86/569928986.db2.gz KZJGKBAUZRXURD-SFHVURJKSA-N 0 0 475.460 5.965 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1OCC ZINC000223972424 569929031 /nfs/dbraw/zinc/92/90/31/569929031.db2.gz NCLFUVNRCAAFHN-IBZADVPGSA-N 0 0 478.614 5.502 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2C)c(C)c1 ZINC000223972850 569929047 /nfs/dbraw/zinc/92/90/47/569929047.db2.gz IKQHNLGCCDCAPF-UHFFFAOYSA-N 0 0 485.609 5.651 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1F ZINC000223973750 569929073 /nfs/dbraw/zinc/92/90/73/569929073.db2.gz XUQBWELIDRYRCP-INIZCTEOSA-N 0 0 497.463 5.842 40 0 JKABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000223973897 569929080 /nfs/dbraw/zinc/92/90/80/569929080.db2.gz KYTANLKSKLDUGI-HMAPJEAMSA-N 0 0 489.424 5.715 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223974303 569929081 /nfs/dbraw/zinc/92/90/81/569929081.db2.gz VFGAPSVAKRGXRR-QGZVFWFLSA-N 0 0 463.405 5.157 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223973622 569929097 /nfs/dbraw/zinc/92/90/97/569929097.db2.gz GXCIBQDMGKZRKK-IBGZPJMESA-N 0 0 481.434 5.478 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc21 ZINC000223973537 569929102 /nfs/dbraw/zinc/92/91/02/569929102.db2.gz LFYNXQKUSLXIAW-LJQANCHMSA-N 0 0 497.466 6.555 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223975966 569929143 /nfs/dbraw/zinc/92/91/43/569929143.db2.gz SECWFHZAKYLFCN-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223976636 569929171 /nfs/dbraw/zinc/92/91/71/569929171.db2.gz UXYVGFUNAABFPC-AWEZNQCLSA-N 0 0 486.237 5.242 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223977740 569929176 /nfs/dbraw/zinc/92/91/76/569929176.db2.gz UUHYCUPZWAPCTH-RUZDIDTESA-N 0 0 468.638 5.095 40 0 JKABRN Cc1c(Br)cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)c1Cl ZINC000223976903 569929180 /nfs/dbraw/zinc/92/91/80/569929180.db2.gz SWGWVUUIHUACHU-UHFFFAOYSA-N 0 0 473.267 6.258 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000223977389 569929195 /nfs/dbraw/zinc/92/91/95/569929195.db2.gz XCWUAOBRHPIWEI-HNNXBMFYSA-N 0 0 483.823 5.502 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000223977080 569929200 /nfs/dbraw/zinc/92/92/00/569929200.db2.gz DAMGHVHJKCIFCB-OAHLLOKOSA-N 0 0 451.369 5.151 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223977648 569929201 /nfs/dbraw/zinc/92/92/01/569929201.db2.gz ROHQYDLGVKJGJQ-QHCPKHFHSA-N 0 0 475.029 5.068 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000223978258 569929204 /nfs/dbraw/zinc/92/92/04/569929204.db2.gz RBFULKSSGHEDON-AREMUKBSSA-N 0 0 460.643 5.253 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223978451 569929221 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569978184 /nfs/dbraw/zinc/97/81/84/569978184.db2.gz QPGCYMWSRBPILB-RUZDIDTESA-N 0 0 478.570 5.263 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1Cl ZINC000225151008 569978224 /nfs/dbraw/zinc/97/82/24/569978224.db2.gz NXOAMPMPFLNBEU-INIZCTEOSA-N 0 0 481.395 5.378 40 0 JKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225150836 569978226 /nfs/dbraw/zinc/97/82/26/569978226.db2.gz UDXSWLIFFCKILB-UHFFFAOYSA-N 0 0 481.599 5.005 40 0 JKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000225151452 569978265 /nfs/dbraw/zinc/97/82/65/569978265.db2.gz VIIOTQIPMZTROI-VWLOTQADSA-N 0 0 485.068 5.900 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)COc1cccc2ccccc21 ZINC000225150737 569978270 /nfs/dbraw/zinc/97/82/70/569978270.db2.gz XRISFOMYNIXUEE-AREMUKBSSA-N 0 0 493.047 6.128 40 0 JKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C ZINC000225151158 569978280 /nfs/dbraw/zinc/97/82/80/569978280.db2.gz QWMAEUDGLQQGFB-DEOSSOPVSA-N 0 0 471.041 5.592 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1C ZINC000225152328 569978341 /nfs/dbraw/zinc/97/83/41/569978341.db2.gz WKNTUPRNOQILRI-FTJBHMTQSA-N 0 0 473.646 5.669 40 0 JKABRN Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000225151984 569978348 /nfs/dbraw/zinc/97/83/48/569978348.db2.gz JSJXRNAJQHBBRT-OAQYLSRUSA-N 0 0 470.654 5.542 40 0 JKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000225152322 569978351 /nfs/dbraw/zinc/97/83/51/569978351.db2.gz RVJRVDGNLQSFDY-KQWNVCNZSA-N 0 0 452.535 6.366 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CSCc1ccccc1Cl ZINC000225152040 569978353 /nfs/dbraw/zinc/97/83/53/569978353.db2.gz RPSNESZWLFMWLT-SFHVURJKSA-N 0 0 477.045 5.579 40 0 JKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000225153007 569978461 /nfs/dbraw/zinc/97/84/61/569978461.db2.gz NJONVXBDBSQVCZ-DEOSSOPVSA-N 0 0 457.014 5.147 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1C ZINC000225153606 569978476 /nfs/dbraw/zinc/97/84/76/569978476.db2.gz MSQRPLXQVSOHNC-SVBPBHIXSA-N 0 0 496.640 5.160 40 0 JKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000225152375 569978477 /nfs/dbraw/zinc/97/84/77/569978477.db2.gz QISCSIUVDDSVOE-KQWNVCNZSA-N 0 0 468.534 6.066 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1C ZINC000225152366 569978493 /nfs/dbraw/zinc/97/84/93/569978493.db2.gz WKNTUPRNOQILRI-IZZNHLLZSA-N 0 0 473.646 5.669 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000225152712 569978496 /nfs/dbraw/zinc/97/84/96/569978496.db2.gz UYQAWIXBBRCPGG-FQEVSTJZSA-N 0 0 456.627 5.483 40 0 JKABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000225154430 569978564 /nfs/dbraw/zinc/97/85/64/569978564.db2.gz OLWHWSDHMPOFIH-QFIPXVFZSA-N 0 0 489.454 5.087 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1C ZINC000225153982 569978572 /nfs/dbraw/zinc/97/85/72/569978572.db2.gz KVSXVPBRFFPIKM-RRPNLBNLSA-N 0 0 496.640 5.410 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1C ZINC000225154606 569978583 /nfs/dbraw/zinc/97/85/83/569978583.db2.gz YWQYELSEIYQINC-FTJBHMTQSA-N 0 0 473.646 5.832 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1C ZINC000225153906 569978594 /nfs/dbraw/zinc/97/85/94/569978594.db2.gz KVSXVPBRFFPIKM-SVBPBHIXSA-N 0 0 496.640 5.410 40 0 JKABRN Cc1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000408622073 569978608 /nfs/dbraw/zinc/97/86/08/569978608.db2.gz MIXVRFRKDIODDC-UHFFFAOYSA-N 0 0 474.607 6.199 40 0 JKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000408622206 569978670 /nfs/dbraw/zinc/97/86/70/569978670.db2.gz MUJCTRULLDOMHZ-UHFFFAOYSA-N 0 0 482.911 6.029 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc3c(ccc4ccccc34)o2)cc1OC ZINC000408622076 569978673 /nfs/dbraw/zinc/97/86/73/569978673.db2.gz UDUYBLMCHUFHDF-UHFFFAOYSA-N 0 0 494.547 5.828 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1C ZINC000225154832 569978710 /nfs/dbraw/zinc/97/87/10/569978710.db2.gz RLLKLHWRUIOXDW-BJKOFHAPSA-N 0 0 461.635 5.472 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CC)c2C)cc1C ZINC000225155493 569978713 /nfs/dbraw/zinc/97/87/13/569978713.db2.gz TVRNIANHSUAHRA-LOSJGSFVSA-N 0 0 461.635 5.354 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1C ZINC000225155677 569978721 /nfs/dbraw/zinc/97/87/21/569978721.db2.gz RHXLNLWRRIYSFZ-CLJLJLNGSA-N 0 0 475.662 5.915 40 0 JKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccccc1F ZINC000225157110 569978803 /nfs/dbraw/zinc/97/88/03/569978803.db2.gz BHIILVKJASWGJW-QFIPXVFZSA-N 0 0 460.977 5.114 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000225156230 569978820 /nfs/dbraw/zinc/97/88/20/569978820.db2.gz KWQRWKDHQIQTMC-HSZRJFAPSA-N 0 0 485.024 5.258 40 0 JKABRN COc1cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc(I)c1OC ZINC000408622480 569978874 /nfs/dbraw/zinc/97/88/74/569978874.db2.gz QPSQUANNTNKJMI-UHFFFAOYSA-N 0 0 489.309 5.661 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)Cc2ccccc2)cc1 ZINC000408622593 569978876 /nfs/dbraw/zinc/97/88/76/569978876.db2.gz PJMFVIZIPANHRH-UHFFFAOYSA-N 0 0 493.412 5.222 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000225158487 569978902 /nfs/dbraw/zinc/97/89/02/569978902.db2.gz CLJRTHSUWWAFAB-HSZRJFAPSA-N 0 0 495.878 6.446 40 0 JKABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000225157659 569978933 /nfs/dbraw/zinc/97/89/33/569978933.db2.gz HHLFTJBXERBHRA-DEOSSOPVSA-N 0 0 468.638 5.059 40 0 JKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000225158448 569978938 /nfs/dbraw/zinc/97/89/38/569978938.db2.gz CLJRTHSUWWAFAB-QHCPKHFHSA-N 0 0 495.878 6.446 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000225157988 569978942 /nfs/dbraw/zinc/97/89/42/569978942.db2.gz DSODRMUXNXBERQ-HSZRJFAPSA-N 0 0 461.433 5.792 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000225159090 569979031 /nfs/dbraw/zinc/97/90/31/569979031.db2.gz YSSICYVYJGATRA-RTBURBONSA-N 0 0 459.030 5.348 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000225159161 569979034 /nfs/dbraw/zinc/97/90/34/569979034.db2.gz YSSICYVYJGATRA-MOPGFXCFSA-N 0 0 459.030 5.348 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000225158993 569979039 /nfs/dbraw/zinc/97/90/39/569979039.db2.gz YFDWYGVULAHIQP-MSOLQXFVSA-N 0 0 465.421 5.321 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1cccc2ccccc21 ZINC000225158862 569979050 /nfs/dbraw/zinc/97/90/50/569979050.db2.gz YRMUZESPKZLSRG-OALUTQOASA-N 0 0 452.982 5.204 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000225159158 569979053 /nfs/dbraw/zinc/97/90/53/569979053.db2.gz PWGHZOSUEAJFBH-HSZRJFAPSA-N 0 0 477.432 5.629 40 0 JKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000225159125 569979056 /nfs/dbraw/zinc/97/90/56/569979056.db2.gz PWGHZOSUEAJFBH-QHCPKHFHSA-N 0 0 477.432 5.629 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1)c1ccccc1 ZINC000408623096 569979083 /nfs/dbraw/zinc/97/90/83/569979083.db2.gz OVTREXJPDXCJPQ-UHFFFAOYSA-N 0 0 472.566 5.697 40 0 JKABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3Cl)C2)cc1Cl ZINC000408622995 569979097 /nfs/dbraw/zinc/97/90/97/569979097.db2.gz OLZQUHQWCKKJKP-ZDUSSCGKSA-N 0 0 491.824 5.085 40 0 JKABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000225161130 569979264 /nfs/dbraw/zinc/97/92/64/569979264.db2.gz UUJSRUMCZYWBQH-QFIPXVFZSA-N 0 0 481.489 5.869 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1C ZINC000225164520 569979376 /nfs/dbraw/zinc/97/93/76/569979376.db2.gz ANPLTBFTLHOYEO-SXOMAYOGSA-N 0 0 487.673 6.222 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)N[C@@H](C)CC)cc1OCC ZINC000225162689 569979390 /nfs/dbraw/zinc/97/93/90/569979390.db2.gz QTZUIYCTQVXLND-VQTJNVASSA-N 0 0 489.056 5.402 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1C ZINC000225165590 569979454 /nfs/dbraw/zinc/97/94/54/569979454.db2.gz RHBZCTSRNVADNJ-KAYWLYCHSA-N 0 0 499.615 5.845 40 0 JKABRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1C ZINC000225165761 569979513 /nfs/dbraw/zinc/97/95/13/569979513.db2.gz GQLSMVRKJOVSAA-KAYWLYCHSA-N 0 0 499.615 5.845 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1F ZINC000225165762 569979524 /nfs/dbraw/zinc/97/95/24/569979524.db2.gz KJCKMABQUQZAFH-KRWDZBQOSA-N 0 0 451.007 5.046 40 0 JKABRN 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COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000408645398 569991393 /nfs/dbraw/zinc/99/13/93/569991393.db2.gz KKJMOPWHOWSXKF-UHFFFAOYSA-N 0 0 482.920 5.042 40 0 JKABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1cccc(Cl)c1 ZINC000225340333 569991405 /nfs/dbraw/zinc/99/14/05/569991405.db2.gz OGOCOGICTBUWLI-HHHXNRCGSA-N 0 0 493.047 5.584 40 0 JKABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl ZINC000225341239 569991417 /nfs/dbraw/zinc/99/14/17/569991417.db2.gz MUPLCINABBRTFT-MHZLTWQESA-N 0 0 477.048 5.747 40 0 JKABRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000225340463 569991434 /nfs/dbraw/zinc/99/14/34/569991434.db2.gz OWMIPQQRPHQKDJ-UHFFFAOYSA-N 0 0 498.007 7.499 40 0 JKABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C ZINC000225340750 569991439 /nfs/dbraw/zinc/99/14/39/569991439.db2.gz HRJHIWAYDKKLBN-MUUNZHRXSA-N 0 0 486.656 5.547 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 ZINC000225340662 569991441 /nfs/dbraw/zinc/99/14/41/569991441.db2.gz SZUZOCPSMCZTQQ-UHFFFAOYSA-N 0 0 471.582 6.010 40 0 JKABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)n1-c1cccnc1 ZINC000225340074 569991442 /nfs/dbraw/zinc/99/14/42/569991442.db2.gz LJAGGNBRQIAEEU-FTJBHMTQSA-N 0 0 469.614 5.540 40 0 JKABRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408645653 569991464 /nfs/dbraw/zinc/99/14/64/569991464.db2.gz AGCVSEOJFKEXGH-TUUBTQOTSA-N 0 0 488.292 5.803 40 0 JKABRN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408645694 569991466 /nfs/dbraw/zinc/99/14/66/569991466.db2.gz ALOPZSUXDMIKMA-SKGAXEKPSA-N 0 0 468.767 5.746 40 0 JKABRN O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408645650 569991474 /nfs/dbraw/zinc/99/14/74/569991474.db2.gz AGCVSEOJFKEXGH-LMHXZZLNSA-N 0 0 488.292 5.803 40 0 JKABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000225342248 569991496 /nfs/dbraw/zinc/99/14/96/569991496.db2.gz JDAXRVDJAXNXPX-UHFFFAOYSA-N 0 0 457.448 5.698 40 0 JKABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl ZINC000225341569 569991514 /nfs/dbraw/zinc/99/15/14/569991514.db2.gz CTNMTYXNOZVLSO-HHHXNRCGSA-N 0 0 495.038 5.886 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000225342151 569991516 /nfs/dbraw/zinc/99/15/16/569991516.db2.gz JERRYGNIZAMZCH-IRXDYDNUSA-N 0 0 493.431 5.029 40 0 JKABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225341966 569991539 /nfs/dbraw/zinc/99/15/39/569991539.db2.gz WEPGPSMAUNGJNH-LJAQVGFWSA-N 0 0 470.657 5.711 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C1CCCC1 ZINC000225341826 569991541 /nfs/dbraw/zinc/99/15/41/569991541.db2.gz UBDUPRZPXMXTRM-SXOMAYOGSA-N 0 0 474.674 6.579 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000225341803 569991544 /nfs/dbraw/zinc/99/15/44/569991544.db2.gz WYOZBSRXUWLFMV-XMMPIXPASA-N 0 0 457.014 5.147 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000225342446 569991596 /nfs/dbraw/zinc/99/15/96/569991596.db2.gz FWCPZLHXYNVKHW-MOPGFXCFSA-N 0 0 485.455 6.411 40 0 JKABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000225342717 569991609 /nfs/dbraw/zinc/99/16/09/569991609.db2.gz UXPFULYHVYESAH-HHHXNRCGSA-N 0 0 474.670 5.644 40 0 JKABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 ZINC000225342849 569991637 /nfs/dbraw/zinc/99/16/37/569991637.db2.gz QMCCTHAMDDLDOQ-NDEPHWFRSA-N 0 0 488.697 5.952 40 0 JKABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)cc1 ZINC000408646117 569991649 /nfs/dbraw/zinc/99/16/49/569991649.db2.gz VOEGTUIQGXXFMH-QFIPXVFZSA-N 0 0 466.537 6.022 40 0 JKABRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000408645971 569991673 /nfs/dbraw/zinc/99/16/73/569991673.db2.gz NAYHXSTWGNWIBK-UHFFFAOYSA-N 0 0 482.536 5.510 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000225343188 569991681 /nfs/dbraw/zinc/99/16/81/569991681.db2.gz QIEVXHHCQJCOQM-QZTJIDSGSA-N 0 0 481.489 5.867 40 0 JKABRN O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1 ZINC000408645954 569991698 /nfs/dbraw/zinc/99/16/98/569991698.db2.gz MXOGDOJCVYOWSZ-UHFFFAOYSA-N 0 0 461.139 5.097 40 0 JKABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000225343674 569991729 /nfs/dbraw/zinc/99/17/29/569991729.db2.gz IREZVSUXLBPOEV-MUUNZHRXSA-N 0 0 488.697 6.034 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000225343778 569991743 /nfs/dbraw/zinc/99/17/43/569991743.db2.gz PDWFHCQZKCECLV-GJZGRUSLSA-N 0 0 471.812 5.358 40 0 JKABRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C[C@H](C)CC[C@@H]2C1=O ZINC000408646326 569991749 /nfs/dbraw/zinc/99/17/49/569991749.db2.gz ISPNLVAZKNAVID-LVFSCSRESA-N 0 0 487.383 5.043 40 0 JKABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000225344098 569991821 /nfs/dbraw/zinc/99/18/21/569991821.db2.gz OHHPXATWWPGQNG-MUUNZHRXSA-N 0 0 456.630 5.484 40 0 JKABRN CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)C(=O)c1ccccc1 ZINC000408646392 569991844 /nfs/dbraw/zinc/99/18/44/569991844.db2.gz IUGXQVDFMOFFOK-HYBUGGRVSA-N 0 0 489.955 5.129 40 0 JKABRN COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)c1 ZINC000408646451 569991851 /nfs/dbraw/zinc/99/18/51/569991851.db2.gz PFYYCFNQZTUAPE-UHFFFAOYSA-N 0 0 476.529 5.005 40 0 JKABRN CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Oc2ccc(C)c(C)c2)cc1 ZINC000408646523 569991854 /nfs/dbraw/zinc/99/18/54/569991854.db2.gz PRYREKHWDLTPCM-UHFFFAOYSA-N 0 0 474.557 5.559 40 0 JKABRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)Nc1cccc2ccccc21 ZINC000408646402 569991859 /nfs/dbraw/zinc/99/18/59/569991859.db2.gz OACBIHZHEWTZKS-UHFFFAOYSA-N 0 0 459.329 5.437 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000225345401 569991886 /nfs/dbraw/zinc/99/18/86/569991886.db2.gz GTDYMGQAXJOBNG-AREMUKBSSA-N 0 0 480.649 5.256 40 0 JKABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000225345845 569991895 /nfs/dbraw/zinc/99/18/95/569991895.db2.gz WAUXZURUMSNBJS-UHFFFAOYSA-N 0 0 463.839 5.653 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CCSCc1ccccc1 ZINC000225345495 569991903 /nfs/dbraw/zinc/99/19/03/569991903.db2.gz HFZREAGCGINKFL-AREMUKBSSA-N 0 0 482.690 5.575 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000225345502 569991909 /nfs/dbraw/zinc/99/19/09/569991909.db2.gz FKFSFIHCYOSYTH-KGLIPLIRSA-N 0 0 490.258 6.175 40 0 JKABRN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000225346321 569991962 /nfs/dbraw/zinc/99/19/62/569991962.db2.gz JXMRDGBAVIWKLG-WOJBJXKFSA-N 0 0 466.603 5.073 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl ZINC000225348525 569991980 /nfs/dbraw/zinc/99/19/80/569991980.db2.gz FPBHETGVWWNQIK-RUZDIDTESA-N 0 0 471.041 5.538 40 0 JKABRN Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)c1 ZINC000408646889 569992051 /nfs/dbraw/zinc/99/20/51/569992051.db2.gz QXEAMLACJJBSMG-UHFFFAOYSA-N 0 0 474.557 5.695 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000225349849 569992069 /nfs/dbraw/zinc/99/20/69/569992069.db2.gz NMNOCKARNOVDDH-ZWKOTPCHSA-N 0 0 463.043 5.163 40 0 JKABRN Cc1cc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(C)c1Br ZINC000408647071 569992110 /nfs/dbraw/zinc/99/21/10/569992110.db2.gz RLFQIBPAAHCOLF-LBPRGKRZSA-N 0 0 475.166 5.322 40 0 JKABRN COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Oc2c(C)cccc2C)cc1 ZINC000408647082 569992129 /nfs/dbraw/zinc/99/21/29/569992129.db2.gz SLIIWBMNILEYLF-UHFFFAOYSA-N 0 0 476.529 5.005 40 0 JKABRN COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408647014 569992131 /nfs/dbraw/zinc/99/21/31/569992131.db2.gz RAIRRGFPMRFUMV-UHFFFAOYSA-N 0 0 458.297 5.029 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3c(C)cccc3C)cc2)c(C)c1 ZINC000408647081 569992143 /nfs/dbraw/zinc/99/21/43/569992143.db2.gz SKKIOBHQXWKCQF-UHFFFAOYSA-N 0 0 474.557 5.613 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cc1 ZINC000408647090 569992144 /nfs/dbraw/zinc/99/21/44/569992144.db2.gz RTTBUPBLWNJQGE-UHFFFAOYSA-N 0 0 474.557 5.695 40 0 JKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)cc1 ZINC000225350525 569992164 /nfs/dbraw/zinc/99/21/64/569992164.db2.gz UNTXFMMFZDMOFV-SVBPBHIXSA-N 0 0 468.626 6.145 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(C)c1 ZINC000225350480 569992179 /nfs/dbraw/zinc/99/21/79/569992179.db2.gz VIUAMIUPFDSJEI-AREMUKBSSA-N 0 0 482.690 5.493 40 0 JKABRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O ZINC000408647324 569992191 /nfs/dbraw/zinc/99/21/91/569992191.db2.gz VALVXHHABGJMLZ-SFHVURJKSA-N 0 0 464.949 5.749 40 0 JKABRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O ZINC000408647322 569992220 /nfs/dbraw/zinc/99/22/20/569992220.db2.gz VALVXHHABGJMLZ-GOSISDBHSA-N 0 0 464.949 5.749 40 0 JKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3)cc2)c1 ZINC000408647152 569992225 /nfs/dbraw/zinc/99/22/25/569992225.db2.gz WLOSOPXETPWHRC-INIZCTEOSA-N 0 0 455.341 6.086 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000225351919 569992259 /nfs/dbraw/zinc/99/22/59/569992259.db2.gz AYJMOPSNEMSZRG-XMMPIXPASA-N 0 0 491.459 5.801 40 0 JKABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)cc1 ZINC000225351984 569992265 /nfs/dbraw/zinc/99/22/65/569992265.db2.gz ZOUZIJIPDZPASS-RRPNLBNLSA-N 0 0 484.625 5.845 40 0 JKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000225351884 569992276 /nfs/dbraw/zinc/99/22/76/569992276.db2.gz AYJMOPSNEMSZRG-DEOSSOPVSA-N 0 0 491.459 5.801 40 0 JKABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000225351343 569992282 /nfs/dbraw/zinc/99/22/82/569992282.db2.gz RUEURAGRTKIFGP-IZZNHLLZSA-N 0 0 472.589 5.976 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000225351098 569992284 /nfs/dbraw/zinc/99/22/84/569992284.db2.gz QSULLRWQLJOKOH-SJORKVTESA-N 0 0 481.033 5.053 40 0 JKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000225351965 569992297 /nfs/dbraw/zinc/99/22/97/569992297.db2.gz CAIDYRBPBIMLCH-DEOSSOPVSA-N 0 0 475.004 5.287 40 0 JKABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000225351174 569992299 /nfs/dbraw/zinc/99/22/99/569992299.db2.gz FRPZMXLKPQZNMH-IZZNHLLZSA-N 0 0 472.589 5.976 40 0 JKABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1 ZINC000225351791 569992307 /nfs/dbraw/zinc/99/23/07/569992307.db2.gz OFLXOSVPGMKNBK-SXOMAYOGSA-N 0 0 484.625 5.845 40 0 JKABRN Cc1cc(C)cc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccccc3C)cc2)c1 ZINC000408647601 569992434 /nfs/dbraw/zinc/99/24/34/569992434.db2.gz 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486.400 6.344 40 0 JKABRN CCOC(=O)COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408805652 570047322 /nfs/dbraw/zinc/04/73/22/570047322.db2.gz BLKXJNWFBAMONX-IPOZWTLPSA-N 0 0 479.622 5.683 40 0 JKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Br)cc2)SC1Nc1ccccc1 ZINC000408806900 570047839 /nfs/dbraw/zinc/04/78/39/570047839.db2.gz CCKHNZOGBBEHIW-CVMPDPLCSA-N 0 0 456.429 6.503 40 0 JKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)SC1Nc1ccccc1 ZINC000408806817 570047875 /nfs/dbraw/zinc/04/78/75/570047875.db2.gz BWCUFAYCOWCVAU-GTTXDWGESA-N 0 0 466.630 7.375 40 0 JKABRN COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408807399 570047951 /nfs/dbraw/zinc/04/79/51/570047951.db2.gz CHJGGVKJNBRWOZ-UHFFFAOYSA-N 0 0 495.815 7.229 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408808487 570048397 /nfs/dbraw/zinc/04/83/97/570048397.db2.gz JCJIIDPFPOGSBG-UHFFFAOYSA-N 0 0 493.580 5.883 40 0 JKABRN 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570049150 /nfs/dbraw/zinc/04/91/50/570049150.db2.gz ALYQHHBGVBDELY-HAHDFKILSA-N 0 0 479.985 6.867 40 0 JKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccccc2OCc2cccc(Cl)c2)S1 ZINC000408811233 570049204 /nfs/dbraw/zinc/04/92/04/570049204.db2.gz AEJZWWFXTNCVNQ-UHFFFAOYSA-N 0 0 470.401 6.644 40 0 JKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)S1 ZINC000408811526 570049262 /nfs/dbraw/zinc/04/92/62/570049262.db2.gz VVGBKDZXVZXWBH-UHFFFAOYSA-N 0 0 475.590 5.663 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000408811921 570049360 /nfs/dbraw/zinc/04/93/60/570049360.db2.gz NAMIFLAVDYZOJD-UUYOSTAYSA-N 0 0 498.398 6.246 40 0 JKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000408811922 570049372 /nfs/dbraw/zinc/04/93/72/570049372.db2.gz BSUXYYCCCBXSRD-NVNXTCNLSA-N 0 0 473.175 6.001 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc(Cl)c1O ZINC000408812919 570049547 /nfs/dbraw/zinc/04/95/47/570049547.db2.gz PVBLLWQUEBAMBO-MAKSOAMOSA-N 0 0 472.030 6.498 40 0 JKABRN Cc1cccc(COc2ccc(/C=C3\SC(Nc4ccccc4)N([C@@H]4CCCC[C@@H]4C)C3=O)cc2)c1 ZINC000408812818 570049577 /nfs/dbraw/zinc/04/95/77/570049577.db2.gz XHNMRNGDSPFNFZ-XUVADWIKSA-N 0 0 497.684 7.628 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc(Cl)c1O ZINC000408812922 570049580 /nfs/dbraw/zinc/04/95/80/570049580.db2.gz PVBLLWQUEBAMBO-ZIRSXLEASA-N 0 0 472.030 6.498 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408812716 570049596 /nfs/dbraw/zinc/04/95/96/570049596.db2.gz PKYYWUARUSXCFB-NHDPSOOVSA-N 0 0 484.371 5.856 40 0 JKABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000408813428 570049645 /nfs/dbraw/zinc/04/96/45/570049645.db2.gz NDUVLOJZAKISJK-UHFFFAOYSA-N 0 0 464.781 6.978 40 0 JKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)S1 ZINC000408815405 570050318 /nfs/dbraw/zinc/05/03/18/570050318.db2.gz WOXNLCOWPSLSHU-UHFFFAOYSA-N 0 0 489.020 6.423 40 0 JKABRN CCCCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408816398 570050543 /nfs/dbraw/zinc/05/05/43/570050543.db2.gz YNOVBMOJDBLURX-AEIDIBRGSA-N 0 0 479.666 6.928 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408816193 570050625 /nfs/dbraw/zinc/05/06/25/570050625.db2.gz KVIRJQPRVDQZKD-YVLHZVERSA-N 0 0 482.783 5.746 40 0 JKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)S1 ZINC000408817309 570050910 /nfs/dbraw/zinc/05/09/10/570050910.db2.gz VMPKIUAYPOTUIF-UHFFFAOYSA-N 0 0 481.981 5.699 40 0 JKABRN Cc1c(/C=C2\SC(Nc3ccccc3F)NC2=O)c2ccccc2n1Cc1cccc(C)c1 ZINC000408817558 570050918 /nfs/dbraw/zinc/05/09/18/570050918.db2.gz VVFCZDIBPPRDRS-UHFFFAOYSA-N 0 0 456.566 6.209 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408817316 570050924 /nfs/dbraw/zinc/05/09/24/570050924.db2.gz LGFXXMOMBZEHIX-BKUYFWCQSA-N 0 0 469.921 6.308 40 0 JKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 ZINC000408818426 570051133 /nfs/dbraw/zinc/05/11/33/570051133.db2.gz WUVZPQXUTGGYQU-UHFFFAOYSA-N 0 0 492.983 6.254 40 0 JKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc4ccccc43)c(Br)c2)C1=O ZINC000408818359 570051158 /nfs/dbraw/zinc/05/11/58/570051158.db2.gz XRRZOFAIBAGAOY-ODLFYWEKSA-N 0 0 488.790 6.501 40 0 JKABRN O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc(F)c2)C(=O)N1c1ccccc1 ZINC000408818290 570051150 /nfs/dbraw/zinc/05/11/50/570051150.db2.gz XJSYSSNKOXCIGW-BKUYFWCQSA-N 0 0 484.346 6.408 40 0 JKABRN CN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc43)c(Br)c2)C1=O ZINC000408818628 570051308 /nfs/dbraw/zinc/05/13/08/570051308.db2.gz PVCMJYPXSKPWHF-NDENLUEZSA-N 0 0 454.345 5.847 40 0 JKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)C1=O ZINC000408818759 570051321 /nfs/dbraw/zinc/05/13/21/570051321.db2.gz QMCRXSDYRXSOHS-NVNXTCNLSA-N 0 0 456.720 5.487 40 0 JKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(I)o2)SC1Nc1ccccc1 ZINC000408819531 570051534 /nfs/dbraw/zinc/05/15/34/570051534.db2.gz XOWSRFXVHMIOMU-WUBQLMRTSA-N 0 0 493.390 5.938 40 0 JKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1Nc1ccccc1 ZINC000408819481 570051537 /nfs/dbraw/zinc/05/15/37/570051537.db2.gz XICAMHULDLJNQQ-UKZLQEINSA-N 0 0 452.600 5.170 40 0 JKABRN CC[C@@H]1CCCCN1C(=O)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000239412591 570051734 /nfs/dbraw/zinc/05/17/34/570051734.db2.gz SXVVVGYHRLCGQG-DYEKYZERSA-N 0 0 491.377 5.772 40 0 JKABRN COc1ccc(-c2sc(NC(=O)c3ccc(OC)c(Br)c3)nc2-c2ccccc2)cc1 ZINC000408821086 570052015 /nfs/dbraw/zinc/05/20/15/570052015.db2.gz CFJQTCOSPDHCIF-UHFFFAOYSA-N 0 0 495.398 6.509 40 0 JKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1Br ZINC000408822877 570052095 /nfs/dbraw/zinc/05/20/95/570052095.db2.gz CGMDYTXXNBJHLG-UHFFFAOYSA-N 0 0 469.791 7.145 40 0 JKABRN CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(OCC)cc1 ZINC000408827978 570052495 /nfs/dbraw/zinc/05/24/95/570052495.db2.gz NBPVTEWJYWVVQA-UHFFFAOYSA-N 0 0 456.611 6.932 40 0 JKABRN COc1ccc(OC)c(-c2nc(NC(=O)c3ccc(OC)c(Br)c3)sc2C)c1 ZINC000408829676 570052645 /nfs/dbraw/zinc/05/26/45/570052645.db2.gz GAPPLFPPDWFXQZ-UHFFFAOYSA-N 0 0 463.353 5.159 40 0 JKABRN CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408830534 570052620 /nfs/dbraw/zinc/05/26/20/570052620.db2.gz OMCDAZHRTSMDRE-UHFFFAOYSA-N 0 0 470.219 7.084 40 0 JKABRN COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1Br ZINC000408834081 570052872 /nfs/dbraw/zinc/05/28/72/570052872.db2.gz SWEIZILPYQPLAK-UHFFFAOYSA-N 0 0 472.191 6.449 40 0 JKABRN Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/N=C(Cc3ccccc3)OC2=O)cc1 ZINC000408838557 570053372 /nfs/dbraw/zinc/05/33/72/570053372.db2.gz GCXAKLKSZQQPFK-RCCKNPSSSA-N 0 0 476.326 5.516 40 0 JKABRN COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1sc2ccccc2c1Cl ZINC000408839055 570053411 /nfs/dbraw/zinc/05/34/11/570053411.db2.gz MENSVMNXHUWGSY-UHFFFAOYSA-N 0 0 476.941 5.464 40 0 JKABRN O=C(Oc1ccc(Br)cc1/C=C1/N=C(Cc2ccccc2)OC1=O)c1ccc(Cl)cc1 ZINC000408839042 570053445 /nfs/dbraw/zinc/05/34/45/570053445.db2.gz LZNVVCHMGTUDKF-XSFVSMFZSA-N 0 0 496.744 5.861 40 0 JKABRN O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)OC1=O ZINC000408840691 570053631 /nfs/dbraw/zinc/05/36/31/570053631.db2.gz CZXLLFDDEKVTML-ORZQUIQWSA-N 0 0 485.948 6.518 40 0 JKABRN CCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408841245 570053687 /nfs/dbraw/zinc/05/36/87/570053687.db2.gz DTUFHJGLTLOVOA-LRXQLKOGSA-N 0 0 453.494 5.357 40 0 JKABRN COc1ccc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)cc1OC ZINC000408842045 570053795 /nfs/dbraw/zinc/05/37/95/570053795.db2.gz ICDBIVNEFNCRRL-NTUHNPAUSA-N 0 0 478.751 5.679 40 0 JKABRN Cc1cccc(C2=N/C(=C/c3cc(Br)ccc3OC(=O)c3ccccc3)C(=O)O2)c1 ZINC000408842024 570053822 /nfs/dbraw/zinc/05/38/22/570053822.db2.gz HWWPKSJMURRVGR-XSFVSMFZSA-N 0 0 462.299 5.321 40 0 JKABRN CCOc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408842298 570053917 /nfs/dbraw/zinc/05/39/17/570053917.db2.gz IURQGQJFOBEXCS-VGATVPSUSA-N 0 0 465.505 5.714 40 0 JKABRN Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3sc4ccccc4c3Cl)C(=O)O2)cc1 ZINC000408843004 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ZINC000409230868 570177652 /nfs/dbraw/zinc/17/76/52/570177652.db2.gz GTIYGNYMCFHHLZ-HMAPJEAMSA-N 0 0 478.570 5.960 40 0 JKABRN CSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000409230601 570177667 /nfs/dbraw/zinc/17/76/67/570177667.db2.gz ZXLCBGKPZIWFGJ-SFHVURJKSA-N 0 0 454.617 5.019 40 0 JKABRN O=C1NC(=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409231018 570177777 /nfs/dbraw/zinc/17/77/77/570177777.db2.gz AUYUGZRLEVXEDM-RGVLZGJSSA-N 0 0 491.733 6.462 40 0 JKABRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O)Nc1cccc(F)c1 ZINC000409231118 570177789 /nfs/dbraw/zinc/17/77/89/570177789.db2.gz HPEYUMWDIFVXDN-ZDLGFXPLSA-N 0 0 491.327 6.068 40 0 JKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(I)c2)C1=O ZINC000409231255 570177804 /nfs/dbraw/zinc/17/78/04/570177804.db2.gz JBZFXADFSHXHLG-XDHOZWIPSA-N 0 0 493.366 5.625 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409231368 570177930 /nfs/dbraw/zinc/17/79/30/570177930.db2.gz CLSGZDAPLDDBMU-YDZHTSKRSA-N 0 0 494.950 5.858 40 0 JKABRN O=C(c1nc(-c2cnc(NCc3ccccc3)s2)n2ccccc12)N1CCN(c2ccccc2)CC1 ZINC000306125326 570178027 /nfs/dbraw/zinc/17/80/27/570178027.db2.gz CMPKVMRBDFPVFP-UHFFFAOYSA-N 0 0 494.624 5.032 40 0 JKABRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000409231619 570178045 /nfs/dbraw/zinc/17/80/45/570178045.db2.gz DFTTZLAINGDTOZ-OEAKJJBVSA-N 0 0 491.385 5.738 40 0 JKABRN CC(C)=CCC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000306120798 570178085 /nfs/dbraw/zinc/17/80/85/570178085.db2.gz SHCBCKBYTHZQGZ-PHFGEWBZSA-N 0 0 476.742 5.471 40 0 JKABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1 ZINC000409232021 570178133 /nfs/dbraw/zinc/17/81/33/570178133.db2.gz NLIVWPJOMGZTIC-QGZVFWFLSA-N 0 0 476.520 5.316 40 0 JKABRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)o2)cc1 ZINC000409233076 570178536 /nfs/dbraw/zinc/17/85/36/570178536.db2.gz DFKWCQCTRQIHGV-CIAFOILYSA-N 0 0 480.929 5.478 40 0 JKABRN Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 ZINC000409233031 570178539 /nfs/dbraw/zinc/17/85/39/570178539.db2.gz JOUQIRBCWOKWFD-WPWMEQJKSA-N 0 0 462.549 6.129 40 0 JKABRN O=C(NCc1cccc(C(F)(F)F)c1)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306136364 570178530 /nfs/dbraw/zinc/17/85/30/570178530.db2.gz PRDLEUUKSMFEFM-QFIPXVFZSA-N 0 0 492.501 5.260 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C1=O ZINC000409233013 570178547 /nfs/dbraw/zinc/17/85/47/570178547.db2.gz UEDTXVHHIVWRNW-FYJGNVAPSA-N 0 0 472.393 7.172 40 0 JKABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccccc1 ZINC000409233027 570178620 /nfs/dbraw/zinc/17/86/20/570178620.db2.gz UFFZFWUAFNZUOM-MRXNPFEDSA-N 0 0 460.958 5.090 40 0 JKABRN O=C(NCc1cccc(C(F)(F)F)c1)c1nc([C@H]2CCCN2Cc2ccccn2)n2ccccc12 ZINC000306144725 570178685 /nfs/dbraw/zinc/17/86/85/570178685.db2.gz ZNFFBJCMMLLOQY-JOCHJYFZSA-N 0 0 479.506 5.015 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O)Nc1ccccc1Cl ZINC000409233420 570178667 /nfs/dbraw/zinc/17/86/67/570178667.db2.gz SCOSWXBMVGOHEZ-LPYMAVHISA-N 0 0 496.947 5.733 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C1=O ZINC000409233318 570178686 /nfs/dbraw/zinc/17/86/86/570178686.db2.gz FMNQIMLTEWSSLE-VCHYOVAHSA-N 0 0 483.779 5.927 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)C1=O ZINC000409233380 570178723 /nfs/dbraw/zinc/17/87/23/570178723.db2.gz VLGVNQPUGLMDCA-LICLKQGHSA-N 0 0 467.722 5.123 40 0 JKABRN CCN(Cc1ccccc1)C(=O)c1nc(-c2cnc(NCc3ccccc3)s2)n2ccccc12 ZINC000306142837 570178749 /nfs/dbraw/zinc/17/87/49/570178749.db2.gz XMCGNCKDRMAQFO-UHFFFAOYSA-N 0 0 467.598 5.732 40 0 JKABRN CCN(Cc1ccccc1)C(=O)c1c2ccccc2c2n1CCCN(Cc1ccc(OC)cc1)C2=O ZINC000306141796 570178762 /nfs/dbraw/zinc/17/87/62/570178762.db2.gz WGTVGGVMAXSHRA-UHFFFAOYSA-N 0 0 481.596 5.358 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409234085 570178904 /nfs/dbraw/zinc/17/89/04/570178904.db2.gz YVNRRLSQIFMFRA-LPYMAVHISA-N 0 0 480.923 5.550 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000409233836 570178907 /nfs/dbraw/zinc/17/89/07/570178907.db2.gz HYMSIBYUIOIBKT-UHFFFAOYSA-N 0 0 477.413 5.086 40 0 JKABRN CC(C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1Br ZINC000409234055 570178941 /nfs/dbraw/zinc/17/89/41/570178941.db2.gz YHFQQGOLLMCBJO-GIJQJNRQSA-N 0 0 493.354 5.050 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000409234347 570179083 /nfs/dbraw/zinc/17/90/83/570179083.db2.gz VSZXXEQBMZMGLD-FYJGNVAPSA-N 0 0 495.373 5.493 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)cc1 ZINC000409234603 570179140 /nfs/dbraw/zinc/17/91/40/570179140.db2.gz LVTODLKOIWFSKJ-UHFFFAOYSA-N 0 0 485.005 5.480 40 0 JKABRN CCc1cccc(CC)c1NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409234861 570179221 /nfs/dbraw/zinc/17/92/21/570179221.db2.gz NKRGYJDOMKSXOQ-FQEVSTJZSA-N 0 0 464.631 5.422 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328958463 570179331 /nfs/dbraw/zinc/17/93/31/570179331.db2.gz AOWQUTJLWPAKTR-GFCCVEGCSA-N 0 0 499.306 5.742 40 0 JKABRN O=C1N/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000409235275 570179363 /nfs/dbraw/zinc/17/93/63/570179363.db2.gz AYTROAVRDGLZPI-YDZHTSKRSA-N 0 0 494.353 6.228 40 0 JKABRN O=C1N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N1Cc1ccccc1 ZINC000409235181 570179413 /nfs/dbraw/zinc/17/94/13/570179413.db2.gz BHFJFIWAEZKBAF-FYJGNVAPSA-N 0 0 453.325 5.665 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328961481 570179445 /nfs/dbraw/zinc/17/94/45/570179445.db2.gz BDDZRNJNLMXRQH-UHFFFAOYSA-N 0 0 470.417 7.015 40 0 JKABRN Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c1 ZINC000328959858 570179446 /nfs/dbraw/zinc/17/94/46/570179446.db2.gz AVHSJRMTSKNLEI-UHFFFAOYSA-N 0 0 456.512 5.551 40 0 JKABRN COC(=O)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](CO)C(C)C)n2)cc1 ZINC000328959450 570179456 /nfs/dbraw/zinc/17/94/56/570179456.db2.gz AUEIUMVFBYCRNU-HXUWFJFHSA-N 0 0 490.482 5.001 40 0 JKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000409235390 570179490 /nfs/dbraw/zinc/17/94/90/570179490.db2.gz PAHMDZLRTGLDRV-GFCCVEGCSA-N 0 0 481.323 5.052 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409235419 570179500 /nfs/dbraw/zinc/17/95/00/570179500.db2.gz PPJLGKCCNNKRIO-MFKUBSTISA-N 0 0 498.966 6.174 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409235400 570179505 /nfs/dbraw/zinc/17/95/05/570179505.db2.gz PEGCPIULHVVREG-WSDLNYQXSA-N 0 0 497.378 5.982 40 0 JKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000409235391 570179507 /nfs/dbraw/zinc/17/95/07/570179507.db2.gz PAHMDZLRTGLDRV-LBPRGKRZSA-N 0 0 481.323 5.052 40 0 JKABRN CC(C)(C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328961587 570179572 /nfs/dbraw/zinc/17/95/72/570179572.db2.gz BEBRXZBNEHJQFT-UHFFFAOYSA-N 0 0 452.427 6.143 40 0 JKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000328962032 570179574 /nfs/dbraw/zinc/17/95/74/570179574.db2.gz BGSXCHFKZWQVGP-GOSISDBHSA-N 0 0 485.432 5.749 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cc(Cl)ccc3Cl)nc(NC3CC3)n2)c1 ZINC000328964588 570179680 /nfs/dbraw/zinc/17/96/80/570179680.db2.gz BWMJTUPQBLRPPW-UHFFFAOYSA-N 0 0 455.267 5.511 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(Br)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328964578 570179704 /nfs/dbraw/zinc/17/97/04/570179704.db2.gz BWEJBMXZRIQYJK-UHFFFAOYSA-N 0 0 499.306 6.898 40 0 JKABRN CCNc1nc(Nc2ccc(Br)cc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966314 570179727 /nfs/dbraw/zinc/17/97/27/570179727.db2.gz CLJPVBFTHJWIIK-UHFFFAOYSA-N 0 0 467.289 6.289 40 0 JKABRN O=C1S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccccc1Cl ZINC000409236137 570179749 /nfs/dbraw/zinc/17/97/49/570179749.db2.gz RITUUMCAWOPSJA-ZVHZXABRSA-N 0 0 476.960 6.719 40 0 JKABRN CC[C@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC ZINC000409236349 570179888 /nfs/dbraw/zinc/17/98/88/570179888.db2.gz FDRBFLIULIXGPN-BKQORJHRSA-N 0 0 473.367 5.036 40 0 JKABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Sc3ccccc3)C2=O)cc1 ZINC000409236359 570179889 /nfs/dbraw/zinc/17/98/89/570179889.db2.gz FGAGMVBMAQILAC-JCMHNJIXSA-N 0 0 476.579 5.521 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000409236381 570179930 /nfs/dbraw/zinc/17/99/30/570179930.db2.gz FNFYJESQKDCZOF-XDHOZWIPSA-N 0 0 494.382 6.012 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328969939 570179999 /nfs/dbraw/zinc/17/99/99/570179999.db2.gz DGVKRYBLFWSJNY-IBGZPJMESA-N 0 0 484.881 6.007 40 0 JKABRN O=C(Cn1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000409236530 570180010 /nfs/dbraw/zinc/18/00/10/570180010.db2.gz SRBBGJAOMFIIMX-OEAKJJBVSA-N 0 0 484.943 5.026 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328970873 570180021 /nfs/dbraw/zinc/18/00/21/570180021.db2.gz DNEGPXXFWBJAFN-CQSZACIVSA-N 0 0 450.892 5.802 40 0 JKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](CO)C(C)C)n1 ZINC000328972692 570180077 /nfs/dbraw/zinc/18/00/77/570180077.db2.gz DYAHXURPDRKFHZ-HXUWFJFHSA-N 0 0 494.945 6.485 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1F ZINC000409236938 570180081 /nfs/dbraw/zinc/18/00/81/570180081.db2.gz IJGAORAYXJGEMS-OEAKJJBVSA-N 0 0 460.505 5.205 40 0 JKABRN CCc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](CO)C(C)C)n1 ZINC000328973613 570180119 /nfs/dbraw/zinc/18/01/19/570180119.db2.gz FBBIVLYKMYHDHN-OAQYLSRUSA-N 0 0 474.527 6.085 40 0 JKABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)C)n1 ZINC000328974823 570180146 /nfs/dbraw/zinc/18/01/46/570180146.db2.gz FGTIYSGQWVLFPU-UHFFFAOYSA-N 0 0 495.343 5.829 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)n1 ZINC000328977363 570180310 /nfs/dbraw/zinc/18/03/10/570180310.db2.gz FTNJPIJBMDHKBW-IBGZPJMESA-N 0 0 495.343 6.097 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328978425 570180358 /nfs/dbraw/zinc/18/03/58/570180358.db2.gz FZIZSUUHMCJMMJ-ZDUSSCGKSA-N 0 0 481.316 5.603 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O)Nc1ccccc1Cl ZINC000409237349 570180400 /nfs/dbraw/zinc/18/04/00/570180400.db2.gz IGDQQVGGGRHFQU-YBFXNURJSA-N 0 0 456.882 5.414 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328978745 570180418 /nfs/dbraw/zinc/18/04/18/570180418.db2.gz FZYQWYWRXFMSIV-UHFFFAOYSA-N 0 0 466.305 6.274 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)C1=O ZINC000409237393 570180405 /nfs/dbraw/zinc/18/04/05/570180405.db2.gz WKEDCFCVDWASAS-VXLYETTFSA-N 0 0 480.355 5.622 40 0 JKABRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)cccc1C(F)(F)F ZINC000328984473 570180503 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5.649 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OC ZINC000409238619 570180859 /nfs/dbraw/zinc/18/08/59/570180859.db2.gz FCBAQANYLHGRTP-LICLKQGHSA-N 0 0 481.357 5.076 40 0 JKABRN COC(=O)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1 ZINC000328996021 570180898 /nfs/dbraw/zinc/18/08/98/570180898.db2.gz JKAULGCJXIQWSQ-UHFFFAOYSA-N 0 0 472.467 5.927 40 0 JKABRN CSc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000328994426 570180961 /nfs/dbraw/zinc/18/09/61/570180961.db2.gz JDNQUCUVLCWIHZ-UHFFFAOYSA-N 0 0 474.552 6.096 40 0 JKABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(Nc3ccc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000328999266 570181076 /nfs/dbraw/zinc/18/10/76/570181076.db2.gz JVKRAMOTIRBNHK-UHFFFAOYSA-N 0 0 452.185 6.654 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409239164 570181140 /nfs/dbraw/zinc/18/11/40/570181140.db2.gz OPWKOKWKMZNKHH-WSDLNYQXSA-N 0 0 497.378 5.982 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329004840 570181191 /nfs/dbraw/zinc/18/11/91/570181191.db2.gz KUVFICVECUJZBS-LBPRGKRZSA-N 0 0 471.310 6.147 40 0 JKABRN FC(F)(F)c1cc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)ccc1Br ZINC000329004304 570181192 /nfs/dbraw/zinc/18/11/92/570181192.db2.gz KRCSUBOZZPFROL-UHFFFAOYSA-N 0 0 492.343 5.652 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329004445 570181209 /nfs/dbraw/zinc/18/12/09/570181209.db2.gz KSVMRDRFHSWUKQ-AWEZNQCLSA-N 0 0 450.892 6.958 40 0 JKABRN FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)n1)C2 ZINC000329007216 570181329 /nfs/dbraw/zinc/18/13/29/570181329.db2.gz LJBRRERRCABMNT-UHFFFAOYSA-N 0 0 460.887 6.212 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(F)c2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008091 570181342 /nfs/dbraw/zinc/18/13/42/570181342.db2.gz LOVRDGMPMAHVQG-KRWDZBQOSA-N 0 0 486.416 5.632 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329006297 570181389 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Fc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c1 ZINC000329018999 570181899 /nfs/dbraw/zinc/18/18/99/570181899.db2.gz NUPVVHWRXWMCGI-UHFFFAOYSA-N 0 0 460.475 5.382 40 0 JKABRN CNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329018370 570181909 /nfs/dbraw/zinc/18/19/09/570181909.db2.gz NQYMVYRGMGZAOW-UHFFFAOYSA-N 0 0 462.781 5.344 40 0 JKABRN FC(F)(F)c1cc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)ccc1Br ZINC000329018929 570181932 /nfs/dbraw/zinc/18/19/32/570181932.db2.gz NTWZENQEZVIDGK-UHFFFAOYSA-N 0 0 478.316 5.262 40 0 JKABRN Cc1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329017986 570181936 /nfs/dbraw/zinc/18/19/36/570181936.db2.gz NOLJIWPGJIUOOX-FQEVSTJZSA-N 0 0 464.463 5.662 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccc(Cl)c(Cl)c3)nc(NC3CC3)n2)c1 ZINC000329020321 570181937 /nfs/dbraw/zinc/18/19/37/570181937.db2.gz OAVKEQVKUZHHKH-UHFFFAOYSA-N 0 0 455.267 5.511 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccccc3C(F)(F)F)nc(NC3CC3)n2)c1 ZINC000329019771 570181943 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40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cc1Cl ZINC000329025341 570182206 /nfs/dbraw/zinc/18/22/06/570182206.db2.gz PGBOFMWEKWTFGA-UHFFFAOYSA-N 0 0 450.892 6.958 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409241855 570182251 /nfs/dbraw/zinc/18/22/51/570182251.db2.gz SJYWKZPWZFDCMU-UDWIEESQSA-N 0 0 469.324 5.678 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O)Nc1cccc(F)c1 ZINC000409241618 570182268 /nfs/dbraw/zinc/18/22/68/570182268.db2.gz KMZRNCWLMFITEE-CIAFOILYSA-N 0 0 498.988 6.305 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329029798 570182293 /nfs/dbraw/zinc/18/22/93/570182293.db2.gz QBPNWBUXJLEHDU-UHFFFAOYSA-N 0 0 457.216 6.231 40 0 JKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329030339 570182327 /nfs/dbraw/zinc/18/23/27/570182327.db2.gz QDAHFDFSSBHXBX-UHFFFAOYSA-N 0 0 490.957 6.644 40 0 JKABRN CC(C)(C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329028579 570182336 /nfs/dbraw/zinc/18/23/36/570182336.db2.gz PVVPFYHHYSQHOU-UHFFFAOYSA-N 0 0 450.892 6.518 40 0 JKABRN Cc1cccc(Cl)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000329031219 570182352 /nfs/dbraw/zinc/18/23/52/570182352.db2.gz QHUQCHXWPXBOCY-UHFFFAOYSA-N 0 0 450.892 6.958 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1ccccc1 ZINC000409242204 570182368 /nfs/dbraw/zinc/18/23/68/570182368.db2.gz VMIZSKBOODUTOI-YDZHTSKRSA-N 0 0 492.528 5.088 40 0 JKABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O ZINC000409242382 570182421 /nfs/dbraw/zinc/18/24/21/570182421.db2.gz RNSXIPREBBOMKV-DEDYPNTBSA-N 0 0 483.446 5.059 40 0 JKABRN FC(F)(F)Oc1ccc2c(c1)CN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)n1)CC2 ZINC000329033722 570182480 /nfs/dbraw/zinc/18/24/80/570182480.db2.gz QVFVCPDPULJHBL-UHFFFAOYSA-N 0 0 460.887 6.212 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329032863 570182494 /nfs/dbraw/zinc/18/24/94/570182494.db2.gz 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CCCCc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000409325393 570202046 /nfs/dbraw/zinc/20/20/46/570202046.db2.gz YFPJEOBFVPZGLU-UHFFFAOYSA-N 0 0 487.021 5.525 40 0 JKABRN CCOC(=O)c1c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)sc2c1CCC2 ZINC000408563225 570202084 /nfs/dbraw/zinc/20/20/84/570202084.db2.gz KHMIGOUHIBYUGP-UHFFFAOYSA-N 0 0 451.613 6.267 40 0 JKABRN Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000408563158 570202119 /nfs/dbraw/zinc/20/21/19/570202119.db2.gz UJTBQKFZJCSKJL-UHFFFAOYSA-N 0 0 467.736 5.496 40 0 JKABRN CC(C)Oc1cccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000408563080 570202133 /nfs/dbraw/zinc/20/21/33/570202133.db2.gz IGDXBLZMSGHSKP-UHFFFAOYSA-N 0 0 493.412 5.615 40 0 JKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000408563311 570202190 /nfs/dbraw/zinc/20/21/90/570202190.db2.gz VFAWBHUDZAFGAJ-GYHWCHFESA-N 0 0 491.407 5.074 40 0 JKABRN CCCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408563736 570202350 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570204263 /nfs/dbraw/zinc/20/42/63/570204263.db2.gz SJLDUJHUJSYUPS-ZRDIBKRKSA-N 0 0 451.304 5.131 40 0 JKABRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000409331231 570204305 /nfs/dbraw/zinc/20/43/05/570204305.db2.gz DKEUTXLBUQQGRA-YFJHUXEUSA-N 0 0 469.924 5.170 40 0 JKABRN COc1ccc(Oc2ccc(NC(=O)COc3ccc(C4SCCS4)cc3)cc2)cc1 ZINC000408569512 570204382 /nfs/dbraw/zinc/20/43/82/570204382.db2.gz OILJTBWDPRYKFC-UHFFFAOYSA-N 0 0 453.585 5.984 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3O)oc2c1 ZINC000408571437 570204726 /nfs/dbraw/zinc/20/47/26/570204726.db2.gz BARFKNPWKQAGLB-GXDHUFHOSA-N 0 0 495.560 6.295 40 0 JKABRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)c1ccccc1Cl ZINC000408571414 570204747 /nfs/dbraw/zinc/20/47/47/570204747.db2.gz ATIRTACDAWEIGP-DTQAZKPQSA-N 0 0 472.928 6.513 40 0 JKABRN Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)cc2)c1 ZINC000408571470 570204753 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VBLAIVWZPUINBR-DTQAZKPQSA-N 0 0 495.564 5.216 40 0 JKABRN CCc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408575649 570205718 /nfs/dbraw/zinc/20/57/18/570205718.db2.gz FFSIRCKSDWDKNK-UHFFFAOYSA-N 0 0 495.366 5.472 40 0 JKABRN Cc1cc(C)cc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3Cl)cc3cc(Cl)ccc32)c1 ZINC000408575706 570205751 /nfs/dbraw/zinc/20/57/51/570205751.db2.gz FLWNXKTUNRCNGM-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)CSCc3ccccc3Br)ccc21 ZINC000408576276 570205872 /nfs/dbraw/zinc/20/58/72/570205872.db2.gz RUMWCWZGCFAPKM-UHFFFAOYSA-N 0 0 453.405 6.449 40 0 JKABRN CCc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3Cl)cc3cc(Cl)ccc32)cc1 ZINC000408576406 570205878 /nfs/dbraw/zinc/20/58/78/570205878.db2.gz GYRDWRHXDBZERZ-UHFFFAOYSA-N 0 0 495.366 5.472 40 0 JKABRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408576458 570205887 /nfs/dbraw/zinc/20/58/87/570205887.db2.gz VDFALZYAOLIGLJ-HIXSDJFHSA-N 0 0 458.989 6.536 40 0 JKABRN 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Cc1c(Cl)cccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)Nc1ccc(F)cc1 ZINC000408577017 570206060 /nfs/dbraw/zinc/20/60/60/570206060.db2.gz IBFBKZXIZATVEJ-UHFFFAOYSA-N 0 0 499.329 5.357 40 0 JKABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000408576999 570206083 /nfs/dbraw/zinc/20/60/83/570206083.db2.gz HVZBMFHWEGPARB-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSCc2ccc(Cl)cc2)cc1OC ZINC000408577218 570206134 /nfs/dbraw/zinc/20/61/34/570206134.db2.gz XIWAKLJDXOGWQT-UHFFFAOYSA-N 0 0 499.032 5.202 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(Cl)c3C)cc3cc(Cl)ccc32)cc1 ZINC000408577579 570206137 /nfs/dbraw/zinc/20/61/37/570206137.db2.gz IQDUKCDXDOLXGZ-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN O=C(CSCc1ccc(Br)cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408577322 570206153 /nfs/dbraw/zinc/20/61/53/570206153.db2.gz YMADXERAJDYMGZ-UHFFFAOYSA-N 0 0 461.425 5.337 40 0 JKABRN O=C(CSCc1c(Cl)cccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408577614 570206177 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CCc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)c(C)c2)cc2cc(Cl)ccc21 ZINC000408580385 570206553 /nfs/dbraw/zinc/20/65/53/570206553.db2.gz QLKDAJJIHCUXQK-UHFFFAOYSA-N 0 0 488.975 5.435 40 0 JKABRN CCOc1ccccc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408580143 570206570 /nfs/dbraw/zinc/20/65/70/570206570.db2.gz QGDHKTNCUCZCGB-UHFFFAOYSA-N 0 0 479.385 5.226 40 0 JKABRN Cc1cc(C)cc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)c(C)c3)cc3cc(Cl)ccc32)c1 ZINC000408580504 570206575 /nfs/dbraw/zinc/20/65/75/570206575.db2.gz QZRHMVIRNWNXNX-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(C)c3C)cc3cc(Cl)ccc32)cc1C ZINC000408580450 570206581 /nfs/dbraw/zinc/20/65/81/570206581.db2.gz QSXBDIRIPFTVNT-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)Nc1ccccc1 ZINC000408580453 570206582 /nfs/dbraw/zinc/20/65/82/570206582.db2.gz QTBPFQFZZPZASS-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)cc1C 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Cc1ccc(C(=O)CSc2nnc3n2c2ccccc2c(=O)n3-c2cc(C)ccc2C)c(C)c1 ZINC000009672427 194877366 /nfs/dbraw/zinc/87/73/66/194877366.db2.gz WRJXCMIDLWFOLS-UHFFFAOYSA-N 0 0 468.582 5.242 40 0 JKABRN O=C(CSc1nnc2n1c1ccccc1c(=O)n2-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000009805993 194971933 /nfs/dbraw/zinc/97/19/33/194971933.db2.gz WKDZFSUZUNUMCF-UHFFFAOYSA-N 0 0 496.379 5.071 40 0 JKABRN CCCC[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)COc1ccc2c(CCC)cc(=O)oc2c1C ZINC000012865992 195161427 /nfs/dbraw/zinc/16/14/27/195161427.db2.gz GTCIWEZRTKCJSP-LXWOLXCRSA-N 0 0 469.622 5.145 40 0 JKABRN Cc1nnc2sc(-c3cccc(NC(=O)c4sc5cc(Cl)ccc5c4Cl)c3)nn12 ZINC000020609590 195182676 /nfs/dbraw/zinc/18/26/76/195182676.db2.gz RDPYTCYVLULRSO-UHFFFAOYSA-N 0 0 460.371 5.935 40 0 JKABRN Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)cc1 ZINC000020609965 195183003 /nfs/dbraw/zinc/18/30/03/195183003.db2.gz ZRIDFUKWMNREKM-SDNWHVSQSA-N 0 0 489.362 6.948 40 0 JKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3n2)cc1 ZINC000020610111 195183087 /nfs/dbraw/zinc/18/30/87/195183087.db2.gz NDGDXDGUYBXGTA-UHFFFAOYSA-N 0 0 455.743 5.651 40 0 JKABRN Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000020609967 195183122 /nfs/dbraw/zinc/18/31/22/195183122.db2.gz RWYBWESUPMJLCP-SDNWHVSQSA-N 0 0 468.944 6.603 40 0 JKABRN CCc1ccc(-n2nc3ccc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020610211 195183245 /nfs/dbraw/zinc/18/32/45/195183245.db2.gz SLPVROQNQJXUGD-AWEZNQCLSA-N 0 0 455.345 5.696 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccc(F)cc5)o4)cc3n2)cc1 ZINC000020610288 195183386 /nfs/dbraw/zinc/18/33/86/195183386.db2.gz YEKNPNQBIMQZIW-DTQAZKPQSA-N 0 0 468.488 5.870 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(C)cc4Br)cc3n2)cc1 ZINC000020610327 195183389 /nfs/dbraw/zinc/18/33/89/195183389.db2.gz MDLFZKBWJHPNOH-UHFFFAOYSA-N 0 0 495.377 5.216 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1Br ZINC000020610509 195183569 /nfs/dbraw/zinc/18/35/69/195183569.db2.gz KOKDUKDLVKNUCJ-UHFFFAOYSA-N 0 0 479.378 5.957 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3n2)cc1 ZINC000020610582 195183581 /nfs/dbraw/zinc/18/35/81/195183581.db2.gz YQMRWWCYOPULJO-UHFFFAOYSA-N 0 0 485.385 6.712 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)cc1 ZINC000020610516 195183595 /nfs/dbraw/zinc/18/35/95/195183595.db2.gz IAHJUNNVRCVKAT-UHFFFAOYSA-N 0 0 462.553 6.375 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 ZINC000020610527 195183658 /nfs/dbraw/zinc/18/36/58/195183658.db2.gz OVIAIROJLMMSMG-UHFFFAOYSA-N 0 0 455.345 6.112 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)cc1Cl ZINC000020610760 195183725 /nfs/dbraw/zinc/18/37/25/195183725.db2.gz JJXOICZJROLSBW-UHFFFAOYSA-N 0 0 484.943 5.914 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020610684 195183742 /nfs/dbraw/zinc/18/37/42/195183742.db2.gz PFKAJMCXSGWKON-UHFFFAOYSA-N 0 0 455.345 5.868 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Br)cc3n2)cc1Cl ZINC000020610714 195183814 /nfs/dbraw/zinc/18/38/14/195183814.db2.gz LQENXQXKKUPVRB-UHFFFAOYSA-N 0 0 457.715 5.097 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 ZINC000020610609 195183844 /nfs/dbraw/zinc/18/38/44/195183844.db2.gz IGBRCLXCGOBPRP-DTQAZKPQSA-N 0 0 482.971 7.109 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3n2)cc1 ZINC000020610639 195183862 /nfs/dbraw/zinc/18/38/62/195183862.db2.gz STFZLGFMISWNAX-UHFFFAOYSA-N 0 0 491.378 7.363 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000020610982 195184188 /nfs/dbraw/zinc/18/41/88/195184188.db2.gz POWDSLRXWSTELK-UHFFFAOYSA-N 0 0 452.770 5.330 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1Cl ZINC000020610888 195184192 /nfs/dbraw/zinc/18/41/92/195184192.db2.gz LXSADDSSEJAVMT-UHFFFAOYSA-N 0 0 477.735 5.407 40 0 JKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000020610932 195184210 /nfs/dbraw/zinc/18/42/10/195184210.db2.gz CRRXBNFBTQXSBZ-UHFFFAOYSA-N 0 0 453.354 6.503 40 0 JKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)cc1 ZINC000020610857 195184254 /nfs/dbraw/zinc/18/42/54/195184254.db2.gz IMILCSLPVSGPRM-HNNXBMFYSA-N 0 0 450.926 5.512 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1Cl ZINC000020610868 195184307 /nfs/dbraw/zinc/18/43/07/195184307.db2.gz DJHOXDSGGSVKQZ-UHFFFAOYSA-N 0 0 464.953 5.398 40 0 JKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1 ZINC000020610853 195184340 /nfs/dbraw/zinc/18/43/40/195184340.db2.gz KHASOLOVMAMBQD-HNNXBMFYSA-N 0 0 450.926 5.512 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(OC)cc4)cc3n2)cc1 ZINC000020611036 195184518 /nfs/dbraw/zinc/18/45/18/195184518.db2.gz WNVONDISCNTXCI-CXUHLZMHSA-N 0 0 455.562 5.236 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cncc(Br)c4)cc3n2)c(C)c1 ZINC000020611077 195184549 /nfs/dbraw/zinc/18/45/49/195184549.db2.gz CNBJCDRNKNPTLD-UHFFFAOYSA-N 0 0 493.409 5.293 40 0 JKABRN Cc1cc(C)c(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c(Br)c1 ZINC000020611018 195184674 /nfs/dbraw/zinc/18/46/74/195184674.db2.gz ZGRARHYFXZOMCU-UHFFFAOYSA-N 0 0 499.796 5.779 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000020611283 195184902 /nfs/dbraw/zinc/18/49/02/195184902.db2.gz ZDBCAYJKLILGTM-ACCUITESSA-N 0 0 498.970 6.611 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000020611172 195184916 /nfs/dbraw/zinc/18/49/16/195184916.db2.gz MRHHQNJQZXJXJH-UHFFFAOYSA-N 0 0 459.308 5.501 40 0 JKABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020611389 195185197 /nfs/dbraw/zinc/18/51/97/195185197.db2.gz HXTGDZLWNJYACQ-UHFFFAOYSA-N 0 0 480.307 6.718 40 0 JKABRN CCc1nc(SCc2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)n[nH]1 ZINC000020611428 195185280 /nfs/dbraw/zinc/18/52/80/195185280.db2.gz HWYHABYVCAXUJU-UHFFFAOYSA-N 0 0 463.415 6.433 40 0 JKABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020611620 195185543 /nfs/dbraw/zinc/18/55/43/195185543.db2.gz TWGJCTPNCWVEFJ-UHFFFAOYSA-N 0 0 496.188 6.105 40 0 JKABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cccc(OCc2ccccc2)c1 ZINC000020611582 195185657 /nfs/dbraw/zinc/18/56/57/195185657.db2.gz FXKBFSVNTDCPAV-UHFFFAOYSA-N 0 0 467.363 5.117 40 0 JKABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cccc2c(Br)cccc12 ZINC000020611577 195185698 /nfs/dbraw/zinc/18/56/98/195185698.db2.gz YFZMVJWYUXDHLI-UHFFFAOYSA-N 0 0 490.195 5.454 40 0 JKABRN O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 ZINC000020632538 195191037 /nfs/dbraw/zinc/19/10/37/195191037.db2.gz OLZDWZIYJZNPQW-OAHLLOKOSA-N 0 0 455.370 5.636 40 0 JKABRN O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4cccc5ccccc54)nn3cc21 ZINC000020632551 195191246 /nfs/dbraw/zinc/19/12/46/195191246.db2.gz JEFGYIHKFPLJMP-LJQANCHMSA-N 0 0 470.985 6.136 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000020633421 195191434 /nfs/dbraw/zinc/19/14/34/195191434.db2.gz QQCGDUFFEWPKCR-AREMUKBSSA-N 0 0 469.541 5.433 40 0 JKABRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000020632623 195191492 /nfs/dbraw/zinc/19/14/92/195191492.db2.gz OAGUHNWCTSPMDJ-HNNXBMFYSA-N 0 0 499.821 5.745 40 0 JKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(OCCC(C)C)c(OCC)c2)C1C(=O)OCC ZINC000020633516 195191561 /nfs/dbraw/zinc/19/15/61/195191561.db2.gz GRDQMLUKYFTKNJ-HHHXNRCGSA-N 0 0 491.632 6.492 40 0 JKABRN COc1ccccc1-c1cc(=O)[nH]c(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)n1 ZINC000020634938 195191753 /nfs/dbraw/zinc/19/17/53/195191753.db2.gz HGOXEMVVOOKBSN-UHFFFAOYSA-N 0 0 455.905 5.453 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675288 195200159 /nfs/dbraw/zinc/20/01/59/195200159.db2.gz IZKVHZRNHCVIBQ-UXHICEINSA-N 0 0 460.361 5.259 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675979 195200479 /nfs/dbraw/zinc/20/04/79/195200479.db2.gz QIAQYGNSCABLBV-RTWAWAEBSA-N 0 0 474.388 5.649 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(OCCC(C)C)cc2)[C@H](C(=O)OCC)C1=O ZINC000020675858 195200488 /nfs/dbraw/zinc/20/04/88/195200488.db2.gz SLULCXVOLZJUKL-IZZNHLLZSA-N 0 0 491.632 5.767 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(SC)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675689 195200497 /nfs/dbraw/zinc/20/04/97/195200497.db2.gz ZQGGTJAAZMKLRP-FGZHOGPDSA-N 0 0 451.592 5.064 40 0 JKABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc6ccccc65)nc4nc3C2)cc1 ZINC000020671580 195198395 /nfs/dbraw/zinc/19/83/95/195198395.db2.gz FLYYIJJVYPTEQP-HXUWFJFHSA-N 0 0 466.566 5.491 40 0 JKABRN CCCOc1ccc([C@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672293 195198693 /nfs/dbraw/zinc/19/86/93/195198693.db2.gz ZKLILEMIDICUFU-VWLOTQADSA-N 0 0 463.578 5.856 40 0 JKABRN CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)cc1 ZINC000020671796 195198705 /nfs/dbraw/zinc/19/87/05/195198705.db2.gz HACRIIMAVIFSMW-LJQANCHMSA-N 0 0 463.006 6.106 40 0 JKABRN CCCCOc1ccc([C@H]2C(C(=O)OCCOC)C(C)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672330 195198722 /nfs/dbraw/zinc/19/87/22/195198722.db2.gz UYAOXXXKRSHJKR-VWLOTQADSA-N 0 0 479.577 5.092 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000020672278 195198768 /nfs/dbraw/zinc/19/87/68/195198768.db2.gz ALRDPAKEZOWOJI-HHHXNRCGSA-N 0 0 483.568 5.823 40 0 JKABRN CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCC(=O)c5ccccc5)nc4nc3C2)cc1 ZINC000020671748 195198778 /nfs/dbraw/zinc/19/87/78/195198778.db2.gz SIWCNDTYXWGIDQ-HXUWFJFHSA-N 0 0 456.571 5.135 40 0 JKABRN CCOc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc54)c(CC)nn3c2C)cc1 ZINC000020672759 195198818 /nfs/dbraw/zinc/19/88/18/195198818.db2.gz UNQLFGBNTNEUKO-UHFFFAOYSA-N 0 0 451.530 5.466 40 0 JKABRN CCOC(=O)c1nnc2c(-c3ccc(OC)cc3)c(CC)nn2c1CSc1ccc(Cl)cc1 ZINC000020797749 195226448 /nfs/dbraw/zinc/22/64/48/195226448.db2.gz HBBKFYOIUNDCKR-UHFFFAOYSA-N 0 0 482.993 5.485 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2cccc3ccccc32)[C@@H](C(=O)OCC)C1=O ZINC000020801956 195227127 /nfs/dbraw/zinc/22/71/27/195227127.db2.gz ANOVXIQBQKLWGZ-RPBOFIJWSA-N 0 0 455.558 5.495 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000020802838 195227650 /nfs/dbraw/zinc/22/76/50/195227650.db2.gz YJDYXFPSBKSKSB-SVBPBHIXSA-N 0 0 497.595 5.990 40 0 JKABRN CC(C)OC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000020759874 195217238 /nfs/dbraw/zinc/21/72/38/195217238.db2.gz GSYDMFKDGCKMTD-UHFFFAOYSA-N 0 0 466.346 5.339 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)ccc32)cc1 ZINC000020766081 195221335 /nfs/dbraw/zinc/22/13/35/195221335.db2.gz FYZDORLQRVOGBE-UHFFFAOYSA-N 0 0 475.397 5.696 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc32)cc1 ZINC000020766084 195221352 /nfs/dbraw/zinc/22/13/52/195221352.db2.gz PWFOXSHYJDAIKM-UHFFFAOYSA-N 0 0 474.504 5.408 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cccc(Cl)c4C)ccc32)cc1 ZINC000020766054 195221461 /nfs/dbraw/zinc/22/14/61/195221461.db2.gz KJOQLBHYCINCDN-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766492 195221613 /nfs/dbraw/zinc/22/16/13/195221613.db2.gz XVHPSVZIMVUUIH-UHFFFAOYSA-N 0 0 470.978 5.133 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1C ZINC000020766391 195221678 /nfs/dbraw/zinc/22/16/78/195221678.db2.gz PYCZMLWKPKFARE-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc4ccccc43)ccc21 ZINC000020766784 195222009 /nfs/dbraw/zinc/22/20/09/195222009.db2.gz AYRMXFXVDYKLLG-UHFFFAOYSA-N 0 0 460.530 5.373 40 0 JKABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000020766842 195222058 /nfs/dbraw/zinc/22/20/58/195222058.db2.gz GPNCUZHECMEAKT-UHFFFAOYSA-N 0 0 478.467 5.238 40 0 JKABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 ZINC000020766839 195222101 /nfs/dbraw/zinc/22/21/01/195222101.db2.gz FQEBZWGYUHZDHI-UHFFFAOYSA-N 0 0 479.360 5.526 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766812 195222133 /nfs/dbraw/zinc/22/21/33/195222133.db2.gz BEAVALHPUROXTM-UHFFFAOYSA-N 0 0 458.942 5.181 40 0 JKABRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767145 195222413 /nfs/dbraw/zinc/22/24/13/195222413.db2.gz OSSBMQPCOBTSBM-UHFFFAOYSA-N 0 0 454.979 5.296 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1C ZINC000020767122 195222419 /nfs/dbraw/zinc/22/24/19/195222419.db2.gz LSEPXRSNLVJIQE-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000020767175 195222476 /nfs/dbraw/zinc/22/24/76/195222476.db2.gz KOIHQUNTMQGUOH-UHFFFAOYSA-N 0 0 461.370 5.387 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1Cl ZINC000020767196 195222537 /nfs/dbraw/zinc/22/25/37/195222537.db2.gz LENLAYNNSRVYDR-UHFFFAOYSA-N 0 0 475.397 5.696 40 0 JKABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767189 195222621 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/nfs/dbraw/zinc/79/61/15/523796115.db2.gz XIEYZZOPSKNLJP-CLJLJLNGSA-N 0 0 464.631 5.062 40 0 JKABRN COc1ccc(C)cc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431753 523817123 /nfs/dbraw/zinc/81/71/23/523817123.db2.gz ZYZUZXUHMYWTMH-RUZDIDTESA-N 0 0 494.657 5.411 40 0 JKABRN COc1ccc(C)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448613 523842682 /nfs/dbraw/zinc/84/26/82/523842682.db2.gz ABELUJLGROURRJ-INIZCTEOSA-N 0 0 470.978 5.049 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)N[C@H](C)c3ccccc3)cc2c1 ZINC000020448241 523845584 /nfs/dbraw/zinc/84/55/84/523845584.db2.gz QLFPTPMCNBPDGZ-GOSISDBHSA-N 0 0 494.638 5.534 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)NCCC3=CCCCC3)cc2c1 ZINC000020448230 523845774 /nfs/dbraw/zinc/84/57/74/523845774.db2.gz QDRMXWDENZNEHG-UHFFFAOYSA-N 0 0 498.670 5.664 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)N(C)Cc3ccccc3)cc2c1 ZINC000020448322 523845850 /nfs/dbraw/zinc/84/58/50/523845850.db2.gz MZXZIHXIJSZRDT-UHFFFAOYSA-N 0 0 494.638 5.316 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccc(C)cc3C)cc2c1 ZINC000020448266 523847542 /nfs/dbraw/zinc/84/75/42/523847542.db2.gz MQZQIELEDFIHIS-UHFFFAOYSA-N 0 0 494.638 5.913 40 0 JKABRN CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4c(OC)cccc4OC)ccc3o2)cc1 ZINC000022569192 523860866 /nfs/dbraw/zinc/86/08/66/523860866.db2.gz BVIUULKFUQRXFS-UHFFFAOYSA-N 0 0 461.543 5.201 40 0 JKABRN COc1ccc(C2=NO[C@H]([C@@](C)(O)CC[C@H]3[C@](C)(O)CC[C@H]4C(C)(C)CCC[C@@]34C)C2)cc1 ZINC000012402428 523881353 /nfs/dbraw/zinc/88/13/53/523881353.db2.gz GCMAYKSXNKXCQZ-LKHFXBLPSA-N 0 0 457.655 5.713 40 0 JKABRN COc1ccc(CCN2C(=O)CS[C@H]2c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC ZINC000027061533 523944935 /nfs/dbraw/zinc/94/49/35/523944935.db2.gz XSBSHKSPVPDVRF-QHCPKHFHSA-N 0 0 478.397 6.087 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1OC ZINC000022516887 523971166 /nfs/dbraw/zinc/97/11/66/523971166.db2.gz FHYGZVWXMSRPMD-NRFANRHFSA-N 0 0 490.600 5.008 40 0 JKABRN CCc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020448504 523992167 /nfs/dbraw/zinc/99/21/67/523992167.db2.gz CLAOOCQAKNTUCP-MRXNPFEDSA-N 0 0 454.979 5.295 40 0 JKABRN Cc1ccc2oc(-c3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3Cl)nc2c1 ZINC000022534548 524085711 /nfs/dbraw/zinc/08/57/11/524085711.db2.gz FMKVXGTXXDKAOB-UHFFFAOYSA-N 0 0 452.766 6.404 40 0 JKABRN Cc1ccc(C)c(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)c1 ZINC000020450894 524118325 /nfs/dbraw/zinc/11/83/25/524118325.db2.gz YBHMEUCBHCZSMG-UHFFFAOYSA-N 0 0 492.641 5.237 40 0 JKABRN Cc1cccc(-c2noc(CN(C(=O)c3cccc(OCc4ccccc4Cl)c3)C(C)C)n2)c1 ZINC000022255387 524131005 /nfs/dbraw/zinc/13/10/05/524131005.db2.gz SVGGJFOLOFDACQ-UHFFFAOYSA-N 0 0 475.976 6.328 40 0 JKABRN Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c2=S)c1 ZINC000016769740 524136116 /nfs/dbraw/zinc/13/61/16/524136116.db2.gz VBGKXWMTCNUGNG-UHFFFAOYSA-N 0 0 492.604 6.810 40 0 JKABRN Cc1cccc(-n2nnnc2SCC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C ZINC000073667003 524148214 /nfs/dbraw/zinc/14/82/14/524148214.db2.gz DOHQNZQCJDOSLF-UHFFFAOYSA-N 0 0 452.624 5.555 40 0 JKABRN C[C@@H](C(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000018286068 524150214 /nfs/dbraw/zinc/15/02/14/524150214.db2.gz HYBFQIXAQRMZGS-GNYLLDTRSA-N 0 0 458.602 5.072 40 0 JKABRN Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020448484 524158325 /nfs/dbraw/zinc/15/83/25/524158325.db2.gz WCHCSJMPYXMRKX-KRWDZBQOSA-N 0 0 454.979 5.349 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536895 524162007 /nfs/dbraw/zinc/16/20/07/524162007.db2.gz HFTHRONCXBSIJU-JOCHJYFZSA-N 0 0 480.630 5.286 40 0 JKABRN COc1ccc(Cl)cc1C(c1ccccc1Br)c1cc(Cl)ccc1OC ZINC000044137788 524199676 /nfs/dbraw/zinc/19/96/76/524199676.db2.gz MDARWXOVZMLTIT-UHFFFAOYSA-N 0 0 452.175 6.953 40 0 JKABRN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000020495422 524201235 /nfs/dbraw/zinc/20/12/35/524201235.db2.gz LZNWDGKFBAUNGJ-QGZVFWFLSA-N 0 0 483.461 5.029 40 0 JKABRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020455927 524214143 /nfs/dbraw/zinc/21/41/43/524214143.db2.gz PCTAWIQCMBELDF-LJQANCHMSA-N 0 0 487.021 5.038 40 0 JKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000020453449 524251908 /nfs/dbraw/zinc/25/19/08/524251908.db2.gz XBBXJSJRPKQURG-GOSISDBHSA-N 0 0 472.994 5.472 40 0 JKABRN Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2Br)n(-c2ccccc2)c1=S ZINC000016769561 524284428 /nfs/dbraw/zinc/28/44/28/524284428.db2.gz RQKHQRBYKMRUJI-UHFFFAOYSA-N 0 0 493.430 6.088 40 0 JKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000044903417 524303274 /nfs/dbraw/zinc/30/32/74/524303274.db2.gz QRCCYWUXUBSYSF-HXUWFJFHSA-N 0 0 466.603 5.634 40 0 JKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000044883810 524303780 /nfs/dbraw/zinc/30/37/80/524303780.db2.gz OPHDDCDBCLGCJV-QGZVFWFLSA-N 0 0 458.967 5.164 40 0 JKABRN Cc1cc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000020449736 524304979 /nfs/dbraw/zinc/30/49/79/524304979.db2.gz RDHMHVIXORBOJP-GOSISDBHSA-N 0 0 452.551 5.143 40 0 JKABRN C[C@@H](C(=O)c1ccccc1)n1nc(-c2cccc(Br)c2)n(-c2ccccc2)c1=S ZINC000016768781 524306074 /nfs/dbraw/zinc/30/60/74/524306074.db2.gz NULQNFZTPNUBKN-INIZCTEOSA-N 0 0 464.388 6.277 40 0 JKABRN Cc1cc(C)c(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c(Br)c1 ZINC000020395649 524309426 /nfs/dbraw/zinc/30/94/26/524309426.db2.gz IRRLNLKXLIJCEY-UHFFFAOYSA-N 0 0 481.415 6.669 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(C)c1 ZINC000022539604 524321849 /nfs/dbraw/zinc/32/18/49/524321849.db2.gz ALKPRBJDIKFLSG-IGKIAQTJSA-N 0 0 492.685 5.304 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(C)c1 ZINC000022539599 524322947 /nfs/dbraw/zinc/32/29/47/524322947.db2.gz ALKPRBJDIKFLSG-RPLLCQBOSA-N 0 0 492.685 5.304 40 0 JKABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1C ZINC000022536983 524329020 /nfs/dbraw/zinc/32/90/20/524329020.db2.gz FIYTYNVWDLNNOD-JOCHJYFZSA-N 0 0 492.641 5.010 40 0 JKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1C ZINC000022606111 524333336 /nfs/dbraw/zinc/33/33/36/524333336.db2.gz LVFAWGJSTIVSGR-RTWAWAEBSA-N 0 0 462.615 5.243 40 0 JKABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cc1C ZINC000022537501 524334276 /nfs/dbraw/zinc/33/42/76/524334276.db2.gz DPLQXAQHYAGUDK-IBGZPJMESA-N 0 0 487.021 5.322 40 0 JKABRN COc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020484972 524363142 /nfs/dbraw/zinc/36/31/42/524363142.db2.gz NVQSNUTWOAKNDR-AREMUKBSSA-N 0 0 480.630 5.103 40 0 JKABRN Cc1cccc(CN(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022535809 524382569 /nfs/dbraw/zinc/38/25/69/524382569.db2.gz PCKFCBKMOCCBTI-QFIPXVFZSA-N 0 0 499.076 5.642 40 0 JKABRN Cc1ccc(CN(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022535731 524404232 /nfs/dbraw/zinc/40/42/32/524404232.db2.gz MKERJXTTYWDVLT-DEOSSOPVSA-N 0 0 478.658 5.297 40 0 JKABRN Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000022536082 524404397 /nfs/dbraw/zinc/40/43/97/524404397.db2.gz TVJVQSUIRXOQRU-QFIPXVFZSA-N 0 0 482.621 5.128 40 0 JKABRN Cc1cc(C)cc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000022428112 524406731 /nfs/dbraw/zinc/40/67/31/524406731.db2.gz KVSSAUUXBSLRFR-PMERELPUSA-N 0 0 498.648 5.713 40 0 JKABRN COc1ccccc1CN(C)C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000030849994 524435013 /nfs/dbraw/zinc/43/50/13/524435013.db2.gz HKZQOSCVFYHFGW-AREMUKBSSA-N 0 0 481.017 5.395 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536925 524438054 /nfs/dbraw/zinc/43/80/54/524438054.db2.gz OYBPWFKTQJGJSS-JOCHJYFZSA-N 0 0 480.630 5.286 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)c1 ZINC000044849964 524439161 /nfs/dbraw/zinc/43/91/61/524439161.db2.gz RLAUXQSWOGDGBB-LJAQVGFWSA-N 0 0 498.648 6.240 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 ZINC000030757530 524525404 /nfs/dbraw/zinc/52/54/04/524525404.db2.gz CLQYLLWFXXXOPL-OAQYLSRUSA-N 0 0 450.604 5.069 40 0 JKABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cnn(Cc4cccc(C(F)(F)F)c4)c3)cc2)n1 ZINC000028231514 524538326 /nfs/dbraw/zinc/53/83/26/524538326.db2.gz CZPCZXZSVJEZLP-UHFFFAOYSA-N 0 0 453.468 5.064 40 0 JKABRN Cc1cccc(NC(=O)Cn2nc(CNc3cccc(Cl)c3C)n(-c3ccccc3)c2=S)c1 ZINC000016769476 524610527 /nfs/dbraw/zinc/61/05/27/524610527.db2.gz UUJJJKJICOWCCP-UHFFFAOYSA-N 0 0 478.021 5.924 40 0 JKABRN COc1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(OC)c(C)c4)ccc3s2)cc1 ZINC000020448036 524629060 /nfs/dbraw/zinc/62/90/60/524629060.db2.gz RPUVQQABUZEKEA-UHFFFAOYSA-N 0 0 496.610 5.304 40 0 JKABRN COc1ccccc1OCCOc1ccc(Cl)cc1/C=C1/N=C(c2cccc(C)c2)OC1=O ZINC000041108836 524676860 /nfs/dbraw/zinc/67/68/60/524676860.db2.gz ASEGBGKXNWYDIU-LTGZKZEYSA-N 0 0 463.917 5.459 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)c1C ZINC000020459738 524690031 /nfs/dbraw/zinc/69/00/31/524690031.db2.gz WDEZRXRASCIIJI-RUZDIDTESA-N 0 0 464.631 5.930 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)ccc2C)c1C ZINC000020494776 524690659 /nfs/dbraw/zinc/69/06/59/524690659.db2.gz QAARFRNHFMRVIU-GDLZYMKVSA-N 0 0 498.648 6.240 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)cc2)c1 ZINC000044885303 524693138 /nfs/dbraw/zinc/69/31/38/524693138.db2.gz FEKREYYKIUZCMS-FQEVSTJZSA-N 0 0 452.576 5.127 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)c1 ZINC000020459346 524694082 /nfs/dbraw/zinc/69/40/82/524694082.db2.gz CMRYTNDNFVPILJ-LJQANCHMSA-N 0 0 452.576 5.325 40 0 JKABRN COc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000020395643 524697156 /nfs/dbraw/zinc/69/71/56/524697156.db2.gz UTBPHWNVEMTKIV-UHFFFAOYSA-N 0 0 496.947 5.350 40 0 JKABRN Cc1ccc(Cl)cc1N(CCCC(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000044880636 524728568 /nfs/dbraw/zinc/72/85/68/524728568.db2.gz DAKKQDJSGOAXEI-OAQYLSRUSA-N 0 0 451.032 5.098 40 0 JKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000020455883 524756891 /nfs/dbraw/zinc/75/68/91/524756891.db2.gz FPRDGQLMDXXZMC-GOSISDBHSA-N 0 0 487.021 5.979 40 0 JKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022534408 524818691 /nfs/dbraw/zinc/81/86/91/524818691.db2.gz STIPZPAQZGSFGT-UHFFFAOYSA-N 0 0 464.634 7.102 40 0 JKABRN COc1ccc(OC)c(Nc2nnc(SCC(=O)Nc3cccc4ccccc43)s2)c1 ZINC000016740034 524873067 /nfs/dbraw/zinc/87/30/67/524873067.db2.gz URRHRVCVPKWKMY-UHFFFAOYSA-N 0 0 452.561 5.183 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000022429322 524888136 /nfs/dbraw/zinc/88/81/36/524888136.db2.gz CINUXZQLSXCSPF-DEOSSOPVSA-N 0 0 485.049 5.747 40 0 JKABRN Cc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022511402 524890314 /nfs/dbraw/zinc/89/03/14/524890314.db2.gz SZUDEQTVHVBJNF-UHFFFAOYSA-N 0 0 477.413 5.156 40 0 JKABRN Cc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022517787 524890420 /nfs/dbraw/zinc/89/04/20/524890420.db2.gz HRXIJTNJOTYOEH-UHFFFAOYSA-N 0 0 477.413 5.156 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022427995 524893284 /nfs/dbraw/zinc/89/32/84/524893284.db2.gz AVDYVDLPPUGUDI-PMERELPUSA-N 0 0 498.648 5.713 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022427920 524893650 /nfs/dbraw/zinc/89/36/50/524893650.db2.gz AXYKSEUMNXOELM-RUZDIDTESA-N 0 0 450.604 5.094 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430299 524893758 /nfs/dbraw/zinc/89/37/58/524893758.db2.gz TYCYWMAREGYACZ-AREMUKBSSA-N 0 0 464.631 5.402 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020454392 524894563 /nfs/dbraw/zinc/89/45/63/524894563.db2.gz ZZGXZUFORYDKGU-XMMPIXPASA-N 0 0 469.006 5.038 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022427932 524894576 /nfs/dbraw/zinc/89/45/76/524894576.db2.gz LPFRGSSQNYCEMM-LJAQVGFWSA-N 0 0 484.621 5.405 40 0 JKABRN Cc1ccc(N(Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)S(C)(=O)=O)cc1C ZINC000044904134 524900275 /nfs/dbraw/zinc/90/02/75/524900275.db2.gz FVQKEHYPDSPCIE-AREMUKBSSA-N 0 0 462.615 5.077 40 0 JKABRN Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)cc1 ZINC000044840757 524901847 /nfs/dbraw/zinc/90/18/47/524901847.db2.gz LJEIFVKFDKNPQL-FQEVSTJZSA-N 0 0 492.641 5.317 40 0 JKABRN COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)c1)O[C@H]1CCCC[C@@H]21 ZINC000012402161 524921951 /nfs/dbraw/zinc/92/19/51/524921951.db2.gz WGDMZWOWVWTFKZ-IUPPTMKVSA-N 0 0 490.427 6.372 40 0 JKABRN C[C@H](NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535746 524945657 /nfs/dbraw/zinc/94/56/57/524945657.db2.gz AFOHDTFYLUXKLZ-INIZCTEOSA-N 0 0 495.403 5.201 40 0 JKABRN C[C@H](NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000022535764 524947102 /nfs/dbraw/zinc/94/71/02/524947102.db2.gz SQTVPNOTNMSNMI-INIZCTEOSA-N 0 0 495.403 5.201 40 0 JKABRN C[C@H]1Cc2cc(C(=O)Nc3cccc4ccccc43)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448512 524980204 /nfs/dbraw/zinc/98/02/04/524980204.db2.gz ZCJCDUNPQZDZMI-KRWDZBQOSA-N 0 0 476.985 5.885 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CCCCCC4)cc3c2)cc1Cl ZINC000020448181 525005790 /nfs/dbraw/zinc/00/57/90/525005790.db2.gz BWRJDDNMCVLZOK-UHFFFAOYSA-N 0 0 493.050 5.405 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N[C@@H](C)c4ccccc4)cc3c2)cc1C ZINC000020447971 525006368 /nfs/dbraw/zinc/00/63/68/525006368.db2.gz HTNBAOHCQWCXAB-SFHVURJKSA-N 0 0 494.638 5.534 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4c(C)cccc4C)cc3c2)cc1C ZINC000020447999 525006841 /nfs/dbraw/zinc/00/68/41/525006841.db2.gz DFDJTPRIDXLTNX-UHFFFAOYSA-N 0 0 494.638 5.913 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4ccc(C)cc4)cc3c2)cc1C ZINC000020447991 525006907 /nfs/dbraw/zinc/00/69/07/525006907.db2.gz BYMSGOZRINCMMH-UHFFFAOYSA-N 0 0 480.611 5.604 40 0 JKABRN Cc1cc(I)ccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020491071 525012948 /nfs/dbraw/zinc/01/29/48/525012948.db2.gz WTXNJYDSEZTNEW-UHFFFAOYSA-N 0 0 468.338 5.415 40 0 JKABRN Cc1cc(I)ccc1NC(=O)c1cc(Br)ccc1Cl ZINC000036872316 525013231 /nfs/dbraw/zinc/01/32/31/525013231.db2.gz PZPRRLSDNULFDZ-UHFFFAOYSA-N 0 0 450.501 5.268 40 0 JKABRN Cc1ccccc1-n1c(-c2ccc(F)cc2)nn(CC(=O)c2ccc(Br)cc2)c1=S ZINC000016769313 525025907 /nfs/dbraw/zinc/02/59/07/525025907.db2.gz SGWZNORUQPZSOM-UHFFFAOYSA-N 0 0 482.378 6.163 40 0 JKABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000022715633 525051888 /nfs/dbraw/zinc/05/18/88/525051888.db2.gz NMURMYUPGBPBBY-UHFFFAOYSA-N 0 0 479.049 5.097 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000022529526 525085761 /nfs/dbraw/zinc/08/57/61/525085761.db2.gz NPVMNRJYBPAILZ-UHFFFAOYSA-N 0 0 452.576 5.354 40 0 JKABRN C[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000020460191 525099734 /nfs/dbraw/zinc/09/97/34/525099734.db2.gz FRVZAMZCOPAEQZ-OAHLLOKOSA-N 0 0 481.376 5.205 40 0 JKABRN C[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535743 525100527 /nfs/dbraw/zinc/10/05/27/525100527.db2.gz AFOHDTFYLUXKLZ-MRXNPFEDSA-N 0 0 495.403 5.201 40 0 JKABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000044901576 525102919 /nfs/dbraw/zinc/10/29/19/525102919.db2.gz SIJWHJBXAUTDKH-UHFFFAOYSA-N 0 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COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC ZINC000020486127 525111923 /nfs/dbraw/zinc/11/19/23/525111923.db2.gz VMFDVMQIRGGYHD-OAHLLOKOSA-N 0 0 455.963 5.708 40 0 JKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000020488103 525113046 /nfs/dbraw/zinc/11/30/46/525113046.db2.gz YBPQMDLKXQLERK-MRXNPFEDSA-N 0 0 491.034 5.577 40 0 JKABRN Cc1ccccc1CN(c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1)S(C)(=O)=O ZINC000020457511 525133367 /nfs/dbraw/zinc/13/33/67/525133367.db2.gz GZXDZHMRLIZZAO-LJAQVGFWSA-N 0 0 498.648 5.789 40 0 JKABRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022509784 525135000 /nfs/dbraw/zinc/13/50/00/525135000.db2.gz ZRAISVMASIUWEG-MRXNPFEDSA-N 0 0 493.412 5.075 40 0 JKABRN COc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000022509566 525143225 /nfs/dbraw/zinc/14/32/25/525143225.db2.gz HVINVILKOHHGSV-WINIVTDRSA-N 0 0 460.599 5.003 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000020459939 525173056 /nfs/dbraw/zinc/17/30/56/525173056.db2.gz WEQDDNJTMOUPHA-JOCHJYFZSA-N 0 0 466.603 5.041 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022427993 525173279 /nfs/dbraw/zinc/17/32/79/525173279.db2.gz PCZGUSGOOTWBPK-AREMUKBSSA-N 0 0 494.657 5.411 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000020459742 525174982 /nfs/dbraw/zinc/17/49/82/525174982.db2.gz CTLRAMSSRWCAJG-RUZDIDTESA-N 0 0 466.603 5.038 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000044885724 525175645 /nfs/dbraw/zinc/17/56/45/525175645.db2.gz SSCOUBLAFINBKH-RUZDIDTESA-N 0 0 466.603 5.322 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000044884178 525175693 /nfs/dbraw/zinc/17/56/93/525175693.db2.gz KFTDGUCGOXUMIR-SQHAQQRYSA-N 0 0 478.614 5.580 40 0 JKABRN C[C@H](NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000044885654 525211526 /nfs/dbraw/zinc/21/15/26/525211526.db2.gz OHPNNGOJVGPCGA-HNNXBMFYSA-N 0 0 495.403 5.590 40 0 JKABRN C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC000044884539 525220319 /nfs/dbraw/zinc/22/03/19/525220319.db2.gz QVHNUJNXNKVMIA-IVCQMTBJSA-N 0 0 468.981 5.744 40 0 JKABRN C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022606147 525221505 /nfs/dbraw/zinc/22/15/05/525221505.db2.gz OTGJAQMHCASRPG-HOTGVXAUSA-N 0 0 472.969 5.110 40 0 JKABRN Cc1ccc(NC(=O)c2c(-c3ccc(C)cc3)c3c4n2cc(-c2ccc(F)cc2)n4CCCC3)cc1 ZINC000027300026 525229159 /nfs/dbraw/zinc/22/91/59/525229159.db2.gz OLIXMIQKFOCBCD-UHFFFAOYSA-N 0 0 477.583 7.419 40 0 JKABRN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccccc1 ZINC000022520184 525239362 /nfs/dbraw/zinc/23/93/62/525239362.db2.gz MCCUEQQDUJFPGN-QHCPKHFHSA-N 0 0 489.619 6.383 40 0 JKABRN Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000020449537 525241180 /nfs/dbraw/zinc/24/11/80/525241180.db2.gz YWJVVOYHSBLFNJ-OAHLLOKOSA-N 0 0 458.942 5.180 40 0 JKABRN Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000020448557 525242607 /nfs/dbraw/zinc/24/26/07/525242607.db2.gz PHAQMVBEPDXKIZ-HNNXBMFYSA-N 0 0 475.397 5.694 40 0 JKABRN Cc1ccccc1NC(=O)Cn1nc(CNc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)c1=S ZINC000016769431 525245353 /nfs/dbraw/zinc/24/53/53/525245353.db2.gz LMQLEPOKPYLFQO-UHFFFAOYSA-N 0 0 498.439 6.269 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)ccc2C)c(C)c1 ZINC000020489178 525297456 /nfs/dbraw/zinc/29/74/56/525297456.db2.gz MQQCSUNIVNLODD-GDLZYMKVSA-N 0 0 498.648 6.240 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000022537715 525299611 /nfs/dbraw/zinc/29/96/11/525299611.db2.gz LIEZHTOXXFCSOG-JOCHJYFZSA-N 0 0 464.631 5.531 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)c(C)c1 ZINC000020456534 525301036 /nfs/dbraw/zinc/30/10/36/525301036.db2.gz AYPAZOJBTMWHPJ-FQEVSTJZSA-N 0 0 466.603 5.634 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)c(C)c1 ZINC000020456535 525302018 /nfs/dbraw/zinc/30/20/18/525302018.db2.gz AYPAZOJBTMWHPJ-HXUWFJFHSA-N 0 0 466.603 5.634 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1C ZINC000044902098 525302913 /nfs/dbraw/zinc/30/29/13/525302913.db2.gz LGTMBVRRVZHWBC-KRWDZBQOSA-N 0 0 458.967 5.164 40 0 JKABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020495661 525305041 /nfs/dbraw/zinc/30/50/41/525305041.db2.gz YLRUSNNLDXGDFN-IBGZPJMESA-N 0 0 487.021 5.038 40 0 JKABRN COc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000022509582 525314022 /nfs/dbraw/zinc/31/40/22/525314022.db2.gz HVINVILKOHHGSV-UZTOHYMASA-N 0 0 460.599 5.003 40 0 JKABRN C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022606153 525335988 /nfs/dbraw/zinc/33/59/88/525335988.db2.gz OTGJAQMHCASRPG-JKSUJKDBSA-N 0 0 472.969 5.110 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430079 525348126 /nfs/dbraw/zinc/34/81/26/525348126.db2.gz WWLIDKRYTOGYNN-SANMLTNESA-N 0 0 480.630 5.103 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000020482789 525349977 /nfs/dbraw/zinc/34/99/77/525349977.db2.gz NKXVEVIDZBNNFI-SANMLTNESA-N 0 0 494.657 5.938 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000022514185 525350083 /nfs/dbraw/zinc/35/00/83/525350083.db2.gz SBVKDQVDNDNEPM-SANMLTNESA-N 0 0 494.657 5.938 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000020462207 525350476 /nfs/dbraw/zinc/35/04/76/525350476.db2.gz VDYPCPTZFFQQOO-SANMLTNESA-N 0 0 498.620 5.318 40 0 JKABRN C[C@]12CC[C@@H]3c4ccc(O[C@H]5CCCCO5)cc4C(=O)C[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1CCCCO1 ZINC000034656049 525351632 /nfs/dbraw/zinc/35/16/32/525351632.db2.gz TZVFNUBGWDFYRL-MLGJPMLBSA-N 0 0 454.607 6.000 40 0 in-vitro JKABRN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@H]2O ZINC000072130308 525351701 /nfs/dbraw/zinc/35/17/01/525351701.db2.gz DRFRYFTUEIVIQI-LKVABKQTSA-N 0 0 482.620 6.318 40 0 in-vitro JKABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000020450339 525372751 /nfs/dbraw/zinc/37/27/51/525372751.db2.gz NPVRYYGPDUIPNG-MHZLTWQESA-N 0 0 470.594 5.340 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccccc1 ZINC000020456175 525372916 /nfs/dbraw/zinc/37/29/16/525372916.db2.gz GQSIXBDSDRNJKE-CYFREDJKSA-N 0 0 471.022 5.017 40 0 JKABRN Cc1cc(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc(C)c1Cl ZINC000020452305 525383232 /nfs/dbraw/zinc/38/32/32/525383232.db2.gz SEYZOKTXNYTCFG-LJQANCHMSA-N 0 0 479.020 6.913 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022427833 525425896 /nfs/dbraw/zinc/42/58/96/525425896.db2.gz DZFCSELAXGPBCK-GDLZYMKVSA-N 0 0 484.621 5.405 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 ZINC000044886039 525428224 /nfs/dbraw/zinc/42/82/24/525428224.db2.gz QGZPIWRTOJAMSZ-AREMUKBSSA-N 0 0 497.060 5.733 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 ZINC000044846096 525429716 /nfs/dbraw/zinc/42/97/16/525429716.db2.gz QGUNQSMOLATOFV-XRKRLSELSA-N 0 0 482.605 5.882 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)cc2)cc1 ZINC000020481460 525499295 /nfs/dbraw/zinc/49/92/95/525499295.db2.gz SKVFENOEMFZOPK-NDEPHWFRSA-N 0 0 484.621 5.648 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000044844331 525501050 /nfs/dbraw/zinc/50/10/50/525501050.db2.gz PFNRCEWBIADODS-DEOSSOPVSA-N 0 0 450.604 5.337 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2cc(Cl)ccc2C)cc1 ZINC000020482771 525507099 /nfs/dbraw/zinc/50/70/99/525507099.db2.gz PHBIWDIPIPXOGJ-VWLOTQADSA-N 0 0 499.076 6.056 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccccc2)cc1 ZINC000022430073 525507261 /nfs/dbraw/zinc/50/72/61/525507261.db2.gz BQHYNVHVSBGEPT-VWLOTQADSA-N 0 0 450.604 5.094 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000020457421 525507664 /nfs/dbraw/zinc/50/76/64/525507664.db2.gz GVISJOBUQOKCIU-VWLOTQADSA-N 0 0 468.594 5.233 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2cc(Cl)ccc2C)cc1 ZINC000020452973 525508782 /nfs/dbraw/zinc/50/87/82/525508782.db2.gz BKJBQIPYWQMFHQ-DEOSSOPVSA-N 0 0 483.033 5.346 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2ccccc2Cl)cc1 ZINC000022430817 525509381 /nfs/dbraw/zinc/50/93/81/525509381.db2.gz OEGJULSNHSASQG-XMMPIXPASA-N 0 0 485.049 5.747 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000020457419 525509563 /nfs/dbraw/zinc/50/95/63/525509563.db2.gz GVISJOBUQOKCIU-RUZDIDTESA-N 0 0 468.594 5.233 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2cc(Cl)ccc2C)cc1 ZINC000020487343 525509639 /nfs/dbraw/zinc/50/96/39/525509639.db2.gz KDJPDCQRLFITGE-GOSISDBHSA-N 0 0 474.985 5.169 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022535461 525511203 /nfs/dbraw/zinc/51/12/03/525511203.db2.gz MRDBBVXCWRCHKG-XMMPIXPASA-N 0 0 478.658 5.031 40 0 JKABRN C[C@@H]1Cc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449659 525517450 /nfs/dbraw/zinc/51/74/50/525517450.db2.gz DCTOGCJJRFLWSO-HXUWFJFHSA-N 0 0 492.616 5.061 40 0 JKABRN Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc2n1Cc1cccc2ccccc21 ZINC000041078065 525521921 /nfs/dbraw/zinc/52/19/21/525521921.db2.gz KTVNVHYSOZOBIE-QRQIAZFYSA-N 0 0 471.585 5.922 40 0 JKABRN Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1Br ZINC000045891007 525524566 /nfs/dbraw/zinc/52/45/66/525524566.db2.gz MLVXIYIXJVSWPH-UHFFFAOYSA-N 0 0 476.994 5.425 40 0 JKABRN Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1cccc(Br)c1 ZINC000045891012 525524757 /nfs/dbraw/zinc/52/47/57/525524757.db2.gz OWQVPRSABZTYGX-UHFFFAOYSA-N 0 0 476.994 5.425 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2Cl)cc1 ZINC000020454420 525599490 /nfs/dbraw/zinc/59/94/90/525599490.db2.gz DUDBPJFUFJSRSK-UHFFFAOYSA-N 0 0 497.773 5.603 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c(Cl)c2)cc1 ZINC000020492435 525599510 /nfs/dbraw/zinc/59/95/10/525599510.db2.gz XMNMMSVRQZVMKB-SFHVURJKSA-N 0 0 456.995 5.557 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc2C)cc1 ZINC000020489909 525599782 /nfs/dbraw/zinc/59/97/82/525599782.db2.gz WROHESRYQDPEJU-RUZDIDTESA-N 0 0 450.604 5.621 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000022521960 525602169 /nfs/dbraw/zinc/60/21/69/525602169.db2.gz IXPWUNWCTXHMKO-UHFFFAOYSA-N 0 0 492.984 6.494 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCCc3cccc(C)c3)c2)cc1 ZINC000044843072 525603506 /nfs/dbraw/zinc/60/35/06/525603506.db2.gz RTQJFCSIMLJGRZ-UHFFFAOYSA-N 0 0 456.995 5.120 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(OC(C)C)c3)c(Cl)c2)cc1 ZINC000020459605 525603715 /nfs/dbraw/zinc/60/37/15/525603715.db2.gz YOLITEQRISTAIB-UHFFFAOYSA-N 0 0 458.967 5.489 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)c(Cl)c2)cc1 ZINC000020450532 525604452 /nfs/dbraw/zinc/60/44/52/525604452.db2.gz NRZGJLYEQTZMOA-UHFFFAOYSA-N 0 0 492.984 6.494 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)c2)cc1 ZINC000020482322 525613148 /nfs/dbraw/zinc/61/31/48/525613148.db2.gz LQCJOWCGXRWNNN-HHHXNRCGSA-N 0 0 470.594 5.624 40 0 JKABRN Cc1ccc(SCc2ccc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)cc1 ZINC000044849400 525662587 /nfs/dbraw/zinc/66/25/87/525662587.db2.gz DYUXYJZIXGPCCT-UHFFFAOYSA-N 0 0 493.672 8.068 40 0 JKABRN Cc1ccc(SCc2nn(CC(=O)Nc3cccc4ccccc43)c(=S)n2-c2ccccc2)cc1 ZINC000016769391 525664720 /nfs/dbraw/zinc/66/47/20/525664720.db2.gz AEVJIKCUPMDSQV-UHFFFAOYSA-N 0 0 496.661 6.796 40 0 JKABRN Cc1c(C)c(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)ccc1Br ZINC000022573049 525676063 /nfs/dbraw/zinc/67/60/63/525676063.db2.gz TXDZEVWGMBDSDC-UHFFFAOYSA-N 0 0 464.157 5.234 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc(I)c1 ZINC000026124304 525688719 /nfs/dbraw/zinc/68/87/19/525688719.db2.gz IDFUBXNIPVHMKY-UHFFFAOYSA-N 0 0 488.716 5.239 40 0 JKABRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc(I)cc1C(C)C ZINC000022567625 525690215 /nfs/dbraw/zinc/69/02/15/525690215.db2.gz YXOMEWIEORMYIO-UHFFFAOYSA-N 0 0 460.315 5.129 40 0 JKABRN C[C@@H]1[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc3c(cc2O[C@@H]1N1CCOCC1)OCO3 ZINC000073417808 525711856 /nfs/dbraw/zinc/71/18/56/525711856.db2.gz SICREJOSBMSSEJ-KPBNCHHWSA-N 0 0 481.633 5.535 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000044841265 525712084 /nfs/dbraw/zinc/71/20/84/525712084.db2.gz YYRFJVNLOCCFRV-QZTJIDSGSA-N 0 0 483.461 5.029 40 0 JKABRN Cc1c(Cl)cccc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000020460813 525759955 /nfs/dbraw/zinc/75/99/55/525759955.db2.gz MCWGGHYMZGMSRP-XMMPIXPASA-N 0 0 485.049 5.747 40 0 JKABRN Cc1ccc([C@@H](NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000020450415 525767967 /nfs/dbraw/zinc/76/79/67/525767967.db2.gz FSJZPRCEPTWFOY-PMERELPUSA-N 0 0 498.648 5.713 40 0 JKABRN Cc1ccc([C@@H](NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000022429113 525768006 /nfs/dbraw/zinc/76/80/06/525768006.db2.gz LFGNTAPKDHYDLB-NDEPHWFRSA-N 0 0 488.584 5.235 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)Cn1nc(CNc2cccc(Cl)c2)n(-c2ccccc2)c1=S ZINC000016769421 525768063 /nfs/dbraw/zinc/76/80/63/525768063.db2.gz RDNXHQVVRYLVFJ-UHFFFAOYSA-N 0 0 498.439 6.269 40 0 JKABRN Cc1ccc([C@@H](NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000020483553 525768184 /nfs/dbraw/zinc/76/81/84/525768184.db2.gz YPKXVZIGDBKPEF-PMERELPUSA-N 0 0 498.648 5.713 40 0 JKABRN Cc1ccc([C@@H](NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000020460973 525768428 /nfs/dbraw/zinc/76/84/28/525768428.db2.gz KAKHUAAFHRKNHB-LJAQVGFWSA-N 0 0 484.621 5.405 40 0 JKABRN Cc1ccc([C@@H](NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c2ccccc2)cc1 ZINC000020484107 525768482 /nfs/dbraw/zinc/76/84/82/525768482.db2.gz VXKKBNSIXITMPN-NDEPHWFRSA-N 0 0 486.568 5.216 40 0 JKABRN Cc1ccc([C@@H](NC(=O)COc2ccc(C(C)C)cc2Br)c2ccccc2)cc1 ZINC000020454472 525768498 /nfs/dbraw/zinc/76/84/98/525768498.db2.gz IAUAKWCFCSSBLI-VWLOTQADSA-N 0 0 452.392 6.166 40 0 JKABRN Cc1ccc([C@@H](NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020484818 525770040 /nfs/dbraw/zinc/77/00/40/525770040.db2.gz TWRNWRSVCIWODE-CYFREDJKSA-N 0 0 471.022 5.017 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c2ccccc2)cc1 ZINC000020453927 525771875 /nfs/dbraw/zinc/77/18/75/525771875.db2.gz 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LHNWZROFTWBNTP-UHFFFAOYSA-N 0 0 451.979 6.040 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001327178 553942453 /nfs/dbraw/zinc/94/24/53/553942453.db2.gz SBWBUXWTOZNHJY-UHFFFAOYSA-N 0 0 459.977 6.021 40 0 JKABRN COc1ccccc1NC(=O)N(Cc1ccccc1Cl)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001327060 553942474 /nfs/dbraw/zinc/94/24/74/553942474.db2.gz IJZQJSZRSUQSHU-UHFFFAOYSA-N 0 0 475.976 6.041 40 0 JKABRN COc1ccccc1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001327051 553942488 /nfs/dbraw/zinc/94/24/88/553942488.db2.gz RRCJSAMXATYCKS-UHFFFAOYSA-N 0 0 459.521 5.527 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000001327336 553942765 /nfs/dbraw/zinc/94/27/65/553942765.db2.gz YUCMLOHMQXCKTM-UHFFFAOYSA-N 0 0 453.951 5.486 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000001327373 553942787 /nfs/dbraw/zinc/94/27/87/553942787.db2.gz QQOPVIQNYXQIOZ-UHFFFAOYSA-N 0 0 461.949 5.467 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)Nc3ccccc3F)cc2c1 ZINC000001327268 553942829 /nfs/dbraw/zinc/94/28/29/553942829.db2.gz MHNYZYBJIOZYHU-UHFFFAOYSA-N 0 0 459.521 5.473 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000001327477 553943048 /nfs/dbraw/zinc/94/30/48/553943048.db2.gz GZBVJEOOSHMARI-UHFFFAOYSA-N 0 0 465.912 5.564 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)NCc3ccccc3)cc2c1 ZINC000001327418 553943068 /nfs/dbraw/zinc/94/30/68/553943068.db2.gz QEVJPYZLRORCAL-UHFFFAOYSA-N 0 0 461.949 5.102 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000001327389 553943127 /nfs/dbraw/zinc/94/31/27/553943127.db2.gz WSUJRBFDVGZFFT-UHFFFAOYSA-N 0 0 459.521 5.261 40 0 JKABRN COc1ccc2cc(CN(Cc3ccc(Cl)cc3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000001327565 553943439 /nfs/dbraw/zinc/94/34/39/553943439.db2.gz QMHJEWWJVOQWQD-UHFFFAOYSA-N 0 0 461.949 5.102 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000001327647 553943483 /nfs/dbraw/zinc/94/34/83/553943483.db2.gz DRNAZGNHFAWUKS-UHFFFAOYSA-N 0 0 451.910 5.408 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001327661 553943504 /nfs/dbraw/zinc/94/35/04/553943504.db2.gz NHPFVRPYJINIJJ-UHFFFAOYSA-N 0 0 467.978 5.876 40 0 JKABRN COc1ccc(CN(Cc2cc3ccc(OC)cc3[nH]c2=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001327572 553943511 /nfs/dbraw/zinc/94/35/11/553943511.db2.gz ISXFTJFDISNKPT-UHFFFAOYSA-N 0 0 477.948 5.433 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000001327711 553943646 /nfs/dbraw/zinc/94/36/46/553943646.db2.gz HGUPIZHTTFKDBT-UHFFFAOYSA-N 0 0 490.003 6.165 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)Nc3ccccc3OC)cc2c1 ZINC000001327684 553943660 /nfs/dbraw/zinc/94/36/60/553943660.db2.gz ACPVXLFRPACEPR-UHFFFAOYSA-N 0 0 471.557 5.478 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001327702 553943664 /nfs/dbraw/zinc/94/36/64/553943664.db2.gz KOBACTHASJBCAF-UHFFFAOYSA-N 0 0 490.003 6.165 40 0 JKABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1c2ccccc2CCc2ccccc21 ZINC000001329457 553944003 /nfs/dbraw/zinc/94/40/03/553944003.db2.gz ZNBNDGLQYILLFO-UHFFFAOYSA-N 0 0 462.578 6.181 40 0 JKABRN COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 ZINC000001329551 553944010 /nfs/dbraw/zinc/94/40/10/553944010.db2.gz IGEHTTCDTDJSIC-QGZVFWFLSA-N 0 0 472.614 6.045 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1 ZINC000001329146 553944014 /nfs/dbraw/zinc/94/40/14/553944014.db2.gz VMHUHMNORZGRHP-UHFFFAOYSA-N 0 0 464.587 5.118 40 0 JKABRN Cc1cccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c12 ZINC000001329126 553944069 /nfs/dbraw/zinc/94/40/69/553944069.db2.gz NHZRHLLBXXQQDU-UHFFFAOYSA-N 0 0 464.587 5.118 40 0 JKABRN Cc1cc2nc(-c3ccc(SCC(=O)Nc4ccccc4Oc4ccccc4)nc3)[nH]c2cc1C ZINC000001329631 553944266 /nfs/dbraw/zinc/94/42/66/553944266.db2.gz CGSOBNHIAPIVMR-UHFFFAOYSA-N 0 0 480.593 6.765 40 0 JKABRN COc1ccccc1-c1ccc(Cn2c(C)nc3ccc(NC(=O)C(C)(C)C)cc3c2=O)cc1 ZINC000001331519 553944268 /nfs/dbraw/zinc/94/42/68/553944268.db2.gz MRBDRGFECSYMSI-UHFFFAOYSA-N 0 0 455.558 5.413 40 0 JKABRN O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)N1c2ccccc2CCc2ccccc21 ZINC000001329735 553944299 /nfs/dbraw/zinc/94/42/99/553944299.db2.gz PLBPNNIGLFIOAO-UHFFFAOYSA-N 0 0 462.578 6.181 40 0 JKABRN Cc1ccc2[nH]c(=O)c(-c3nc4ccc(Cl)cn4c3NCc3ccc4c(c3)OCO4)cc2c1 ZINC000001330282 553944301 /nfs/dbraw/zinc/94/43/01/553944301.db2.gz OJEOUNIGFOMLCB-UHFFFAOYSA-N 0 0 458.905 5.145 40 0 JKABRN Cc1cc2nc(-c3ccc(SCC(=O)Nc4ccccc4C(F)(F)F)nc3)[nH]c2cc1C ZINC000001329656 553944312 /nfs/dbraw/zinc/94/43/12/553944312.db2.gz GHNVNTKDJYHSHQ-UHFFFAOYSA-N 0 0 456.493 5.991 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccs1 ZINC000001331581 553944557 /nfs/dbraw/zinc/94/45/57/553944557.db2.gz HZIARBOQRGRHKO-NDEPHWFRSA-N 0 0 468.622 5.686 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1C ZINC000001331574 553944577 /nfs/dbraw/zinc/94/45/77/553944577.db2.gz YRMJRNMLXDSHDK-GDLZYMKVSA-N 0 0 498.648 5.694 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2C)cc1 ZINC000001331591 553944627 /nfs/dbraw/zinc/94/46/27/553944627.db2.gz JMLMCMHHYKZVOU-LJAQVGFWSA-N 0 0 496.632 5.893 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000001331569 553944668 /nfs/dbraw/zinc/94/46/68/553944668.db2.gz XSXKOUKOXUVOSJ-SANMLTNESA-N 0 0 474.651 5.747 40 0 JKABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1 ZINC000001331608 553944843 /nfs/dbraw/zinc/94/48/43/553944843.db2.gz KXUMPRNWJYJZDE-SANMLTNESA-N 0 0 474.651 5.747 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NCc1ccccc1)c1ccc(C)cc1 ZINC000001331618 553944852 /nfs/dbraw/zinc/94/48/52/553944852.db2.gz UGADOLXJKFGMBD-GDLZYMKVSA-N 0 0 498.648 5.694 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000001331644 553944857 /nfs/dbraw/zinc/94/48/57/553944857.db2.gz KTMZPSXJMFTJAV-LJAQVGFWSA-N 0 0 496.632 5.893 40 0 JKABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000001331633 553944860 /nfs/dbraw/zinc/94/48/60/553944860.db2.gz SXZONXSXCDVLCZ-NDEPHWFRSA-N 0 0 468.622 5.686 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1 ZINC000001331604 553944863 /nfs/dbraw/zinc/94/48/63/553944863.db2.gz PYPINNCTXXDRBB-MHZLTWQESA-N 0 0 454.595 5.690 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2C)c1 ZINC000001331601 553944875 /nfs/dbraw/zinc/94/48/75/553944875.db2.gz PZPLCIGHWJIDMT-NDEPHWFRSA-N 0 0 484.621 5.699 40 0 JKABRN O=C(NCc1ccccc1)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000001331724 553945253 /nfs/dbraw/zinc/94/52/53/553945253.db2.gz QWHBEBDMXHWURK-VWLOTQADSA-N 0 0 478.614 5.578 40 0 JKABRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1cccs1 ZINC000001331784 553945599 /nfs/dbraw/zinc/94/55/99/553945599.db2.gz LZLFMWQRGPYVMW-MHZLTWQESA-N 0 0 489.040 6.031 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000001331760 553945638 /nfs/dbraw/zinc/94/56/38/553945638.db2.gz JLQGWLJGBNBGAQ-MHZLTWQESA-N 0 0 472.585 5.829 40 0 JKABRN O=C(Cc1cccs1)N(Cc1cccs1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000001331776 553945647 /nfs/dbraw/zinc/94/56/47/553945647.db2.gz KHGBVDUGXLDZPQ-VWLOTQADSA-N 0 0 460.624 5.439 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000001331866 553945818 /nfs/dbraw/zinc/94/58/18/553945818.db2.gz FVZFKRHDDIFSAL-MHZLTWQESA-N 0 0 470.594 5.390 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000001331868 553945832 /nfs/dbraw/zinc/94/58/32/553945832.db2.gz FVZFKRHDDIFSAL-HHHXNRCGSA-N 0 0 470.594 5.390 40 0 JKABRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 ZINC000001331814 553945846 /nfs/dbraw/zinc/94/58/46/553945846.db2.gz JFSKTMZCNFFNID-SANMLTNESA-N 0 0 458.558 5.521 40 0 JKABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000001331824 553945857 /nfs/dbraw/zinc/94/58/57/553945857.db2.gz XYBFQOUYWYPVNZ-HHHXNRCGSA-N 0 0 498.604 5.168 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc2c(c1)OCCO2)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000001331855 553945869 /nfs/dbraw/zinc/94/58/69/553945869.db2.gz LXSZDCFQRRNFBI-MUUNZHRXSA-N 0 0 498.604 5.153 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1F ZINC000001331816 553945898 /nfs/dbraw/zinc/94/58/98/553945898.db2.gz HLQOUUQCGIEPBH-MHZLTWQESA-N 0 0 472.585 5.829 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000001331872 553945901 /nfs/dbraw/zinc/94/59/01/553945901.db2.gz YHZRMEVOIYNRJO-MHZLTWQESA-N 0 0 470.594 5.390 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1cnccn1)c1cccc(F)c1 ZINC000001331952 553946190 /nfs/dbraw/zinc/94/61/90/553946190.db2.gz ILGONYRGEGKXKD-VWLOTQADSA-N 0 0 488.494 5.180 40 0 JKABRN Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000001331906 553946205 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RMAHMLLHUSMDRF-XMMPIXPASA-N 0 0 492.913 5.743 40 0 JKABRN O=C(Nc1ccc(F)cc1)[C@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)c1ccc(F)c(Cl)c1 ZINC000001332016 553946634 /nfs/dbraw/zinc/94/66/34/553946634.db2.gz JBIDKSTXWQFMAY-QHCPKHFHSA-N 0 0 496.876 5.574 40 0 JKABRN Cc1ccc(CN(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000001332005 553946645 /nfs/dbraw/zinc/94/66/45/553946645.db2.gz MYWSKZLRSUCLKZ-RUZDIDTESA-N 0 0 472.495 5.086 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(Cc1cccs1)C(=O)c1cnccn1 ZINC000001332088 553946674 /nfs/dbraw/zinc/94/66/74/553946674.db2.gz LTYQAFACJJZGFG-QHCPKHFHSA-N 0 0 460.534 5.008 40 0 JKABRN Cc1ccc(CN(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1 ZINC000001332115 553946676 /nfs/dbraw/zinc/94/66/76/553946676.db2.gz MGUXHYCQZHFYFN-AREMUKBSSA-N 0 0 468.532 5.255 40 0 JKABRN CCOc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2F)cc1 ZINC000001332198 553946891 /nfs/dbraw/zinc/94/68/91/553946891.db2.gz BQJUOAFXRHJWKW-RUZDIDTESA-N 0 0 488.494 5.180 40 0 JKABRN Cc1cccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)c1 ZINC000001332171 553946894 /nfs/dbraw/zinc/94/68/94/553946894.db2.gz KGLADWLVWTUQOK-VWLOTQADSA-N 0 0 454.505 5.259 40 0 JKABRN CCC(=O)Nc1ccc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c32)CCCC4)cc1 ZINC000001332801 553947344 /nfs/dbraw/zinc/94/73/44/553947344.db2.gz AGLUMEWDKUMVKO-UHFFFAOYSA-N 0 0 466.632 5.527 40 0 JKABRN CCc1ccc([C@@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2cccc(OC)c2)cc1 ZINC000001333080 553947629 /nfs/dbraw/zinc/94/76/29/553947629.db2.gz ZMBRUCZVXKRIRA-SANMLTNESA-N 0 0 484.531 5.214 40 0 JKABRN COc1cccc([C@@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccc(C(C)C)cc2)c1 ZINC000001333033 553947640 /nfs/dbraw/zinc/94/76/40/553947640.db2.gz DFFLSXQFDOUNLV-MHZLTWQESA-N 0 0 498.558 5.775 40 0 JKABRN CCOc1ccc([C@@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C(=O)c2cnccn2)cc1 ZINC000001333164 553947895 /nfs/dbraw/zinc/94/78/95/553947895.db2.gz YVDPEWGGMYNPAT-SANMLTNESA-N 0 0 484.531 5.037 40 0 JKABRN Cc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccc(C)cc2)cc1 ZINC000001333109 553947908 /nfs/dbraw/zinc/94/79/08/553947908.db2.gz GMWKTMCKZAHADL-SANMLTNESA-N 0 0 468.532 5.255 40 0 JKABRN Cc1ccc([C@@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)c2cnccn2)cc1 ZINC000001333108 553947910 /nfs/dbraw/zinc/94/79/10/553947910.db2.gz BBWNKXZLDLHAIN-VWLOTQADSA-N 0 0 472.495 5.086 40 0 JKABRN CCOc1cccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccc(C)cc2)c1 ZINC000001333133 553947914 /nfs/dbraw/zinc/94/79/14/553947914.db2.gz HOHIHWQRNBFCOL-AREMUKBSSA-N 0 0 484.531 5.350 40 0 JKABRN Cc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)c2cnccn2)cc1 ZINC000001333099 553947926 /nfs/dbraw/zinc/94/79/26/553947926.db2.gz QTZCENQALRINNY-RUZDIDTESA-N 0 0 488.950 5.600 40 0 JKABRN CCc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccccc2)cc1 ZINC000001333086 553947937 /nfs/dbraw/zinc/94/79/37/553947937.db2.gz FXXUQRZQAFEMQX-RUZDIDTESA-N 0 0 454.505 5.205 40 0 JKABRN CCOc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccc(F)cc2)cc1 ZINC000001333168 553948241 /nfs/dbraw/zinc/94/82/41/553948241.db2.gz NRLLZFLVUNNNKL-RUZDIDTESA-N 0 0 488.494 5.180 40 0 JKABRN CCOc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccc(C)cc2)cc1 ZINC000001333174 553948259 /nfs/dbraw/zinc/94/82/59/553948259.db2.gz GSTOGZFMHZUKTK-AREMUKBSSA-N 0 0 484.531 5.350 40 0 JKABRN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N(Cc1ccccc1Cl)C(=O)c1cnccn1 ZINC000001333189 553948272 /nfs/dbraw/zinc/94/82/72/553948272.db2.gz PCVGJSWYDAXZKW-XMMPIXPASA-N 0 0 474.923 5.292 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2cccs2)c1 ZINC000001333485 553948373 /nfs/dbraw/zinc/94/83/73/553948373.db2.gz WQASPMMSKILYDT-QHCPKHFHSA-N 0 0 452.576 5.182 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000001333510 553948445 /nfs/dbraw/zinc/94/84/45/553948445.db2.gz JQQBTOFYOVLNJF-VWLOTQADSA-N 0 0 494.588 5.495 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1Cl)N(Cc1cccs1)C(=O)c1cccs1 ZINC000001333507 553948483 /nfs/dbraw/zinc/94/84/83/553948483.db2.gz PVECOUHNJWQTFQ-JOCHJYFZSA-N 0 0 473.063 6.296 40 0 JKABRN COc1cccc(CN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 ZINC000001333554 553948868 /nfs/dbraw/zinc/94/88/68/553948868.db2.gz KQTCGSVHXKIWQQ-RUZDIDTESA-N 0 0 480.605 5.728 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(Cl)c2)o1 ZINC000001333608 553948886 /nfs/dbraw/zinc/94/88/86/553948886.db2.gz FYIGNSXMGOLMEX-QHCPKHFHSA-N 0 0 456.995 5.679 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(Cl)c1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001333705 553949120 /nfs/dbraw/zinc/94/91/20/553949120.db2.gz QQXKCWQWRGJJSC-QFIPXVFZSA-N 0 0 459.036 5.839 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1F ZINC000001333714 553949140 /nfs/dbraw/zinc/94/91/40/553949140.db2.gz ACSFGUYCEMBAKS-HSZRJFAPSA-N 0 0 456.608 5.633 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2C)o1 ZINC000001333654 553949180 /nfs/dbraw/zinc/94/91/80/553949180.db2.gz BJVSKHANTHLRKW-RUZDIDTESA-N 0 0 450.604 5.642 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000001333803 553949510 /nfs/dbraw/zinc/94/95/10/553949510.db2.gz AAXZPYXPWYKKNK-XMMPIXPASA-N 0 0 454.542 5.402 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc3c(c2)OCO3)cc1 ZINC000001333819 553949563 /nfs/dbraw/zinc/94/95/63/553949563.db2.gz QUUSBUUEKPVTGP-HHHXNRCGSA-N 0 0 490.625 5.415 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(Cl)cc1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000001333771 553949622 /nfs/dbraw/zinc/94/96/22/553949622.db2.gz KIXMSIJZLKVJKE-QHCPKHFHSA-N 0 0 453.995 5.172 40 0 JKABRN COc1cc2cc(CN(Cc3ccccc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1OC ZINC000001335710 553950297 /nfs/dbraw/zinc/95/02/97/553950297.db2.gz AWDVRUYDCSLZNR-UHFFFAOYSA-N 0 0 477.948 5.433 40 0 JKABRN COc1ccc(NC(=O)N(Cc2ccc(C)cc2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000001335730 553950326 /nfs/dbraw/zinc/95/03/26/553950326.db2.gz IBOJWFBZYNSZEQ-UHFFFAOYSA-N 0 0 487.556 5.097 40 0 JKABRN COc1cc2cc(CN(Cc3ccc(C)cc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2cc1OC ZINC000001335722 553950351 /nfs/dbraw/zinc/95/03/51/553950351.db2.gz FFQOJQXJNJTBFU-UHFFFAOYSA-N 0 0 491.975 5.741 40 0 JKABRN COc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1OC ZINC000001335751 553950361 /nfs/dbraw/zinc/95/03/61/553950361.db2.gz KNFWYJAEMDSMTA-UHFFFAOYSA-N 0 0 495.938 5.572 40 0 JKABRN O=C(Nc1ccc(F)cc1)N(Cc1ccccc1Cl)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001336014 553950587 /nfs/dbraw/zinc/95/05/87/553950587.db2.gz AXJXLBREJFMDLD-UHFFFAOYSA-N 0 0 493.922 5.326 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000001336050 553950602 /nfs/dbraw/zinc/95/06/02/553950602.db2.gz DPQQTKMYHWFXGH-SANMLTNESA-N 0 0 491.682 6.052 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(Cc1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000001336045 553950642 /nfs/dbraw/zinc/95/06/42/553950642.db2.gz GTHLZLKMXQPZFH-SANMLTNESA-N 0 0 475.614 5.584 40 0 JKABRN 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553951246 /nfs/dbraw/zinc/95/12/46/553951246.db2.gz JNESNCKCAXKENC-AREMUKBSSA-N 0 0 461.631 5.526 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc2ccccc21)[C@@H](C(=O)NC1CCCCC1)c1ccccn1 ZINC000001336217 553951288 /nfs/dbraw/zinc/95/12/88/553951288.db2.gz FGOZSTGOIVWZCV-MUUNZHRXSA-N 0 0 483.637 6.062 40 0 JKABRN O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1cccc(Cl)c1Cl ZINC000001337148 553951479 /nfs/dbraw/zinc/95/14/79/553951479.db2.gz ZHXFZKVSGGTHIA-UHFFFAOYSA-N 0 0 465.381 5.017 40 0 JKABRN Clc1ccc(CN(Cc2ccco2)[C@@H](c2cccs2)c2nnnn2C2CCCCC2)cc1 ZINC000001338546 553951485 /nfs/dbraw/zinc/95/14/85/553951485.db2.gz ZLMDNJBZDBIFSC-QHCPKHFHSA-N 0 0 468.026 6.278 40 0 JKABRN Clc1ccc([C@@H](c2nnnn2C2CCCC2)N(Cc2ccco2)Cc2cccs2)cc1 ZINC000001338645 553951535 /nfs/dbraw/zinc/95/15/35/553951535.db2.gz KUELIJXBIBBTEH-QFIPXVFZSA-N 0 0 453.999 5.888 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccccn1 ZINC000001339106 553952141 /nfs/dbraw/zinc/95/21/41/553952141.db2.gz YKDMXERZBXKXOP-RUZDIDTESA-N 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COc1ccc(CCN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1OC ZINC000013496051 555410864 /nfs/dbraw/zinc/41/08/64/555410864.db2.gz RFRJYZOQWQPWIB-SANMLTNESA-N 0 0 492.641 5.250 40 0 JKABRN COc1ccc(-c2ccc(Cn3c(Cc4ccccc4)nc4ccc(NC(C)=O)cc4c3=O)cc2)cc1 ZINC000013496500 555411997 /nfs/dbraw/zinc/41/19/97/555411997.db2.gz QTHFJQONKJOREF-UHFFFAOYSA-N 0 0 489.575 5.670 40 0 JKABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(CCc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000013496572 555412005 /nfs/dbraw/zinc/41/20/05/555412005.db2.gz LTTDNSXQFCUGIF-GDLZYMKVSA-N 0 0 498.648 5.428 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1cnccn1)c1ccc(CC)cc1 ZINC000013496703 555412229 /nfs/dbraw/zinc/41/22/29/555412229.db2.gz DQGBNLDAFUVHOZ-HHHXNRCGSA-N 0 0 498.558 5.604 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000013496638 555412243 /nfs/dbraw/zinc/41/22/43/555412243.db2.gz MZWUJVXEXZTJJQ-MHZLTWQESA-N 0 0 454.595 5.690 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cc1c[nH]c2ccccc12 ZINC000013496651 555412255 /nfs/dbraw/zinc/41/22/55/555412255.db2.gz BSNBXJVPCRECAM-MUUNZHRXSA-N 0 0 469.585 5.441 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cc1c[nH]c2ccccc12 ZINC000013496665 555412280 /nfs/dbraw/zinc/41/22/80/555412280.db2.gz CMKZBDGBJVMHLX-GDLZYMKVSA-N 0 0 499.611 5.531 40 0 JKABRN Cc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)c2cnccn2)cc1 ZINC000013496849 555412622 /nfs/dbraw/zinc/41/26/22/555412622.db2.gz BBWNKXZLDLHAIN-RUZDIDTESA-N 0 0 472.495 5.086 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cccs1 ZINC000013497292 555413184 /nfs/dbraw/zinc/41/31/84/555413184.db2.gz SBTXDIPETWJXBE-XMMPIXPASA-N 0 0 466.603 5.572 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)cc1 ZINC000013497403 555413432 /nfs/dbraw/zinc/41/34/32/555413432.db2.gz WVMSQXZDQHFMMJ-AREMUKBSSA-N 0 0 492.641 5.598 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)c2cccs2)cc1 ZINC000013497383 555413446 /nfs/dbraw/zinc/41/34/46/555413446.db2.gz DBHYRQDFSVNYKH-SANMLTNESA-N 0 0 492.641 5.598 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1 ZINC000013497442 555413657 /nfs/dbraw/zinc/41/36/57/555413657.db2.gz XYIXGIKAAVOXDF-AREMUKBSSA-N 0 0 476.642 5.898 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1 ZINC000013497444 555413735 /nfs/dbraw/zinc/41/37/35/555413735.db2.gz XYIXGIKAAVOXDF-SANMLTNESA-N 0 0 476.642 5.898 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 ZINC000013497604 555414101 /nfs/dbraw/zinc/41/41/01/555414101.db2.gz LWYACIOCNOVYNG-RUZDIDTESA-N 0 0 466.603 5.424 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(C(F)(F)F)c1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497657 555414202 /nfs/dbraw/zinc/41/42/02/555414202.db2.gz AJVMNRXAQLHKMD-JOCHJYFZSA-N 0 0 492.588 6.204 40 0 JKABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497647 555414225 /nfs/dbraw/zinc/41/42/25/555414225.db2.gz QWQYFXPCKNXQFT-XMMPIXPASA-N 0 0 452.645 5.224 40 0 JKABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497648 555414228 /nfs/dbraw/zinc/41/42/28/555414228.db2.gz QWQYFXPCKNXQFT-DEOSSOPVSA-N 0 0 452.645 5.224 40 0 JKABRN COc1ccc(C)cc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(C)o1 ZINC000013497629 555414235 /nfs/dbraw/zinc/41/42/35/555414235.db2.gz IFTSMBNHASSWAL-VWLOTQADSA-N 0 0 466.603 5.342 40 0 JKABRN COc1ccc(Cl)cc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)o1 ZINC000013497622 555414304 /nfs/dbraw/zinc/41/43/04/555414304.db2.gz KIKPXYSIMDUWTJ-XMMPIXPASA-N 0 0 487.021 5.687 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497702 555414603 /nfs/dbraw/zinc/41/46/03/555414603.db2.gz RSTQKKCXAPMPDT-SANMLTNESA-N 0 0 497.060 5.782 40 0 JKABRN O=C(Cc1cccs1)N(Cc1cccnc1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497699 555414618 /nfs/dbraw/zinc/41/46/18/555414618.db2.gz QVAGKOAAGJMAIS-XMMPIXPASA-N 0 0 468.022 5.168 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497674 555414636 /nfs/dbraw/zinc/41/46/36/555414636.db2.gz QLGXWPBMHHQEPV-QHCPKHFHSA-N 0 0 454.617 5.194 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013497678 555414657 /nfs/dbraw/zinc/41/46/57/555414657.db2.gz SWMSMWOILIVIEA-DEOSSOPVSA-N 0 0 484.643 5.203 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000013497704 555414683 /nfs/dbraw/zinc/41/46/83/555414683.db2.gz CPBRBKYBBNQVTO-SANMLTNESA-N 0 0 497.060 5.782 40 0 JKABRN COc1ccc(C)cc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497686 555414705 /nfs/dbraw/zinc/41/47/05/555414705.db2.gz GWMSVYNORKRNLB-DEOSSOPVSA-N 0 0 468.644 5.502 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000013497713 555414811 /nfs/dbraw/zinc/41/48/11/555414811.db2.gz VYNXHMBTQYAWDA-AREMUKBSSA-N 0 0 495.044 5.980 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2Cl)cc1 ZINC000013497735 555414814 /nfs/dbraw/zinc/41/48/14/555414814.db2.gz YLQWPNDLXXEXAV-AREMUKBSSA-N 0 0 497.060 5.782 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2Cl)cc1 ZINC000013497736 555414844 /nfs/dbraw/zinc/41/48/44/555414844.db2.gz YLQWPNDLXXEXAV-SANMLTNESA-N 0 0 497.060 5.782 40 0 JKABRN O=C(Cc1cccs1)N(Cc1cccnc1)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497730 555414857 /nfs/dbraw/zinc/41/48/57/555414857.db2.gz VLGANPYOKAHJDS-DEOSSOPVSA-N 0 0 468.022 5.168 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497707 555414897 /nfs/dbraw/zinc/41/48/97/555414897.db2.gz CTJRXFYLOZQKJY-RUZDIDTESA-N 0 0 467.034 5.773 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497754 555415119 /nfs/dbraw/zinc/41/51/19/555415119.db2.gz CEAWMRJSKJYGCA-DEOSSOPVSA-N 0 0 453.007 5.777 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(Cl)c1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013497761 555415193 /nfs/dbraw/zinc/41/51/93/555415193.db2.gz KRUFQMITVYVUDH-HSZRJFAPSA-N 0 0 453.995 5.172 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2Cl)c1 ZINC000013497750 555415213 /nfs/dbraw/zinc/41/52/13/555415213.db2.gz SOQUJUBTNBHXOR-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)c1OC ZINC000013497833 555415332 /nfs/dbraw/zinc/41/53/32/555415332.db2.gz URKXJSROESTCMX-XMMPIXPASA-N 0 0 498.670 5.198 40 0 JKABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)c1 ZINC000013497826 555415411 /nfs/dbraw/zinc/41/54/11/555415411.db2.gz IDPDLEFUBUFOJQ-MHZLTWQESA-N 0 0 492.641 5.137 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)c(OC)c1 ZINC000013497861 555415677 /nfs/dbraw/zinc/41/56/77/555415677.db2.gz UDERRJOPEXKNQL-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)c(OC)c1 ZINC000013497862 555415705 /nfs/dbraw/zinc/41/57/05/555415705.db2.gz UDERRJOPEXKNQL-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)c1OC ZINC000013497834 555415730 /nfs/dbraw/zinc/41/57/30/555415730.db2.gz URKXJSROESTCMX-DEOSSOPVSA-N 0 0 498.670 5.198 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1F ZINC000013497882 555415940 /nfs/dbraw/zinc/41/59/40/555415940.db2.gz BAQNLQBWPQQGAA-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 ZINC000013497877 555415945 /nfs/dbraw/zinc/41/59/45/555415945.db2.gz PHVJAVSKCPOGDE-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000013497868 555415959 /nfs/dbraw/zinc/41/59/59/555415959.db2.gz YAOZOOPJJRCXTK-VWLOTQADSA-N 0 0 482.671 5.580 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1 ZINC000013497886 555415973 /nfs/dbraw/zinc/41/59/73/555415973.db2.gz BAPLACBDXVHZDM-SANMLTNESA-N 0 0 462.615 5.523 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000013497925 555416277 /nfs/dbraw/zinc/41/62/77/555416277.db2.gz RDKZMTVNAZEMNN-HHHXNRCGSA-N 0 0 476.642 5.518 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1OC ZINC000013497905 555416295 /nfs/dbraw/zinc/41/62/95/555416295.db2.gz QDQCSSIEDORINX-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)cc1 ZINC000013497923 555416305 /nfs/dbraw/zinc/41/63/05/555416305.db2.gz RNSPUCALPJVQIY-HHHXNRCGSA-N 0 0 494.632 5.657 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)c1 ZINC000013497940 555416603 /nfs/dbraw/zinc/41/66/03/555416603.db2.gz LBJYFAFUSZJXKV-SANMLTNESA-N 0 0 480.605 5.267 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000013497948 555416614 /nfs/dbraw/zinc/41/66/14/555416614.db2.gz VPKMMJZKYQJSKZ-MHZLTWQESA-N 0 0 492.641 5.137 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2Cl)c1 ZINC000013497960 555416657 /nfs/dbraw/zinc/41/66/57/555416657.db2.gz DAXUHSBJBRLDCP-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2OC)c1 ZINC000013497983 555416884 /nfs/dbraw/zinc/41/68/84/555416884.db2.gz WZVSCBAIXIHVDK-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2OC)c1 ZINC000013497984 555416891 /nfs/dbraw/zinc/41/68/91/555416891.db2.gz WZVSCBAIXIHVDK-SANMLTNESA-N 0 0 478.614 5.141 40 0 JKABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1cccc(OC)c1 ZINC000013497986 555416898 /nfs/dbraw/zinc/41/68/98/555416898.db2.gz CHWBYLUTYVDXFG-MHZLTWQESA-N 0 0 492.641 5.531 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000013497975 555416904 /nfs/dbraw/zinc/41/69/04/555416904.db2.gz JUUOHLVAIGJGRA-HHHXNRCGSA-N 0 0 492.641 5.531 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)c1 ZINC000013497966 555416935 /nfs/dbraw/zinc/41/69/35/555416935.db2.gz BGWLQVZDHRULOE-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)c1 ZINC000013497979 555416939 /nfs/dbraw/zinc/41/69/39/555416939.db2.gz MXMBONPIORQNTA-HHHXNRCGSA-N 0 0 492.641 5.531 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2c(C)cc(C)cc2C)c1 ZINC000013497992 555416942 /nfs/dbraw/zinc/41/69/42/555416942.db2.gz PBNGJRBNWOLWLU-NDEPHWFRSA-N 0 0 490.669 6.058 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000013497976 555416949 /nfs/dbraw/zinc/41/69/49/555416949.db2.gz JUUOHLVAIGJGRA-MHZLTWQESA-N 0 0 492.641 5.531 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2c(C)cccc2C)c1 ZINC000013497993 555416960 /nfs/dbraw/zinc/41/69/60/555416960.db2.gz LDSISIIGZOMSSU-HHHXNRCGSA-N 0 0 476.642 5.749 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000013498021 555417212 /nfs/dbraw/zinc/41/72/12/555417212.db2.gz JUAZICYXLIELKQ-HHHXNRCGSA-N 0 0 492.641 5.137 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1 ZINC000013498012 555417228 /nfs/dbraw/zinc/41/72/28/555417228.db2.gz SNHCHBGLUZJYRX-DEOSSOPVSA-N 0 0 468.644 5.190 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2C)c1 ZINC000013498000 555417238 /nfs/dbraw/zinc/41/72/38/555417238.db2.gz LMOQYCXQTGUYST-MHZLTWQESA-N 0 0 476.642 5.749 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)cc1 ZINC000013498043 555417508 /nfs/dbraw/zinc/41/75/08/555417508.db2.gz RGQWBWDTQQPJIR-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C(C)=O)cc2)cc1 ZINC000013498033 555417557 /nfs/dbraw/zinc/41/75/57/555417557.db2.gz AUJNUHNKLFTVIQ-HHHXNRCGSA-N 0 0 490.625 5.335 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(OC)c2)cc1 ZINC000013498047 555417563 /nfs/dbraw/zinc/41/75/63/555417563.db2.gz OTTWNLOYAOHKAD-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498092 555417774 /nfs/dbraw/zinc/41/77/74/555417774.db2.gz VFSDPCXFEADYNO-SANMLTNESA-N 0 0 478.589 5.466 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498074 555417778 /nfs/dbraw/zinc/41/77/78/555417778.db2.gz TXEDEVLYIFDAQZ-SANMLTNESA-N 0 0 480.605 5.267 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2c(C)cccc2C)cc1 ZINC000013498062 555417789 /nfs/dbraw/zinc/41/77/89/555417789.db2.gz MZDPNDFSUCAYSD-MHZLTWQESA-N 0 0 476.642 5.749 40 0 JKABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498065 555417823 /nfs/dbraw/zinc/41/78/23/555417823.db2.gz CAEBPONEBIDAOT-AREMUKBSSA-N 0 0 464.606 5.301 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498116 555418169 /nfs/dbraw/zinc/41/81/69/555418169.db2.gz LTVYVWYLHJMZCF-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498102 555418185 /nfs/dbraw/zinc/41/81/85/555418185.db2.gz LFTLXVBPUVDKSQ-DEOSSOPVSA-N 0 0 454.542 5.402 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c(C)c1 ZINC000013498136 555418312 /nfs/dbraw/zinc/41/83/12/555418312.db2.gz FPDUZUQIEPZQAF-SANMLTNESA-N 0 0 464.606 5.880 40 0 JKABRN Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498134 555418323 /nfs/dbraw/zinc/41/83/23/555418323.db2.gz JWDRCWSAHBVLAL-SANMLTNESA-N 0 0 464.606 5.880 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498124 555418327 /nfs/dbraw/zinc/41/83/27/555418327.db2.gz CQOKDNZQRRNDJA-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498125 555418346 /nfs/dbraw/zinc/41/83/46/555418346.db2.gz PJJFERYHQCBQHT-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN Cc1cccc(C)c1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498131 555418371 /nfs/dbraw/zinc/41/83/71/555418371.db2.gz VTVKAJFYWMCLLZ-AREMUKBSSA-N 0 0 464.606 5.880 40 0 JKABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498130 555418409 /nfs/dbraw/zinc/41/84/09/555418409.db2.gz HJHSDOYQNBCEBW-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498169 555418682 /nfs/dbraw/zinc/41/86/82/555418682.db2.gz OGBIYOVLUUBFJH-XMMPIXPASA-N 0 0 454.542 5.402 40 0 JKABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498197 555418898 /nfs/dbraw/zinc/41/88/98/555418898.db2.gz MYXPHYBDRSGQHK-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1cccs1 ZINC000013498211 555418929 /nfs/dbraw/zinc/41/89/29/555418929.db2.gz KMMUROXIMOALMR-HHHXNRCGSA-N 0 0 460.643 5.470 40 0 JKABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498193 555418953 /nfs/dbraw/zinc/41/89/53/555418953.db2.gz VPTDFBSSEVADRE-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498223 555418975 /nfs/dbraw/zinc/41/89/75/555418975.db2.gz ZVVGWZNEUVAMPI-HHHXNRCGSA-N 0 0 476.642 5.437 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 ZINC000013498244 555419151 /nfs/dbraw/zinc/41/91/51/555419151.db2.gz SHFUDRGJDFTCBJ-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013498250 555419173 /nfs/dbraw/zinc/41/91/73/555419173.db2.gz PKQFPXBKWQXKRG-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1 ZINC000013498228 555419198 /nfs/dbraw/zinc/41/91/98/555419198.db2.gz YTKIKLNUFHYRDC-SANMLTNESA-N 0 0 464.606 5.567 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000013498246 555419206 /nfs/dbraw/zinc/41/92/06/555419206.db2.gz FMROPZMGAOICAF-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013498225 555419224 /nfs/dbraw/zinc/41/92/24/555419224.db2.gz ZKVZBJLJELNBRX-HHHXNRCGSA-N 0 0 476.642 5.437 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013498289 555419480 /nfs/dbraw/zinc/41/94/80/555419480.db2.gz DSXWHNFUIGHFQZ-HHHXNRCGSA-N 0 0 476.642 5.437 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)cc1 ZINC000013498295 555419514 /nfs/dbraw/zinc/41/95/14/555419514.db2.gz PUUBNGMEQQJNNS-AREMUKBSSA-N 0 0 464.606 5.567 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013498294 555419532 /nfs/dbraw/zinc/41/95/32/555419532.db2.gz KLEBPQVKQWCDJR-MHZLTWQESA-N 0 0 476.642 5.437 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498291 555419539 /nfs/dbraw/zinc/41/95/39/555419539.db2.gz FCWZDAFVVDADGN-HHHXNRCGSA-N 0 0 476.642 5.437 40 0 JKABRN CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000013498271 555419558 /nfs/dbraw/zinc/41/95/58/555419558.db2.gz VNPKTFNTGTUNRN-AREMUKBSSA-N 0 0 464.631 5.836 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC ZINC000013498321 555419716 /nfs/dbraw/zinc/41/97/16/555419716.db2.gz YFNAIRJIFJTOIZ-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c(OC)c1 ZINC000013498327 555419794 /nfs/dbraw/zinc/41/97/94/555419794.db2.gz SDTQKYLYKSVJBP-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498324 555419815 /nfs/dbraw/zinc/41/98/15/555419815.db2.gz VHLBOSBAJGSFLC-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC ZINC000013498322 555419825 /nfs/dbraw/zinc/41/98/25/555419825.db2.gz YFNAIRJIFJTOIZ-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013498317 555419841 /nfs/dbraw/zinc/41/98/41/555419841.db2.gz PNKHRPRZQQYXEI-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498347 555420047 /nfs/dbraw/zinc/42/00/47/555420047.db2.gz IIBJAFNIRRBILI-AREMUKBSSA-N 0 0 462.615 5.128 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(Cl)c1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498355 555420074 /nfs/dbraw/zinc/42/00/74/555420074.db2.gz GIDGPZWHGOSYOD-XMMPIXPASA-N 0 0 453.007 5.777 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498363 555420124 /nfs/dbraw/zinc/42/01/24/555420124.db2.gz LLZVBEAOQOZOKR-AREMUKBSSA-N 0 0 460.599 5.327 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498343 555420147 /nfs/dbraw/zinc/42/01/47/555420147.db2.gz HGAFZBVTARRAAM-AREMUKBSSA-N 0 0 462.615 5.128 40 0 JKABRN COc1ccc(C)cc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498394 555420271 /nfs/dbraw/zinc/42/02/71/555420271.db2.gz REOAYXCMIYBDMQ-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN Cc1cc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c(C)c1 ZINC000013498410 555420299 /nfs/dbraw/zinc/42/02/99/555420299.db2.gz ZESYLBKUJJCPMC-MHZLTWQESA-N 0 0 460.643 6.049 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498422 555420399 /nfs/dbraw/zinc/42/03/99/555420399.db2.gz ITEVGKHRDNSGEL-RUZDIDTESA-N 0 0 472.637 5.232 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498436 555420764 /nfs/dbraw/zinc/42/07/64/555420764.db2.gz KVCCGRPVXFMELY-VWLOTQADSA-N 0 0 490.677 5.653 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498443 555420807 /nfs/dbraw/zinc/42/08/07/555420807.db2.gz JEBAJEOORQMBGZ-MUUNZHRXSA-N 0 0 498.675 5.982 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498471 555421186 /nfs/dbraw/zinc/42/11/86/555421186.db2.gz ACPSKAJVYMJTAV-HHHXNRCGSA-N 0 0 496.615 5.118 40 0 JKABRN Cc1ccc2cc(CN(CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498517 555421613 /nfs/dbraw/zinc/42/16/13/555421613.db2.gz YXQVXNYWPOFDFF-MHZLTWQESA-N 0 0 484.648 5.380 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498619 555422889 /nfs/dbraw/zinc/42/28/89/555422889.db2.gz AHODSEWCAISFHW-HSZRJFAPSA-N 0 0 494.665 5.129 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498633 555422986 /nfs/dbraw/zinc/42/29/86/555422986.db2.gz QSZHHPWCPZHTDW-DEOSSOPVSA-N 0 0 492.649 5.099 40 0 JKABRN CCCCSc1nnc2c(n1)O[C@@H]([C@H]1CC=C(CCC=C(C)C)C[C@@H]1C)Nc1ccccc1-2 ZINC000009600584 555423983 /nfs/dbraw/zinc/42/39/83/555423983.db2.gz HJGNXLGIXCKOAL-OWHZGTRUSA-N 0 0 464.679 7.280 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)cc1Cl ZINC000009694985 555425077 /nfs/dbraw/zinc/42/50/77/555425077.db2.gz BKNJYEBOGVLSGA-UHFFFAOYSA-N 0 0 485.414 5.045 40 0 JKABRN Cc1cc2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498836 555425160 /nfs/dbraw/zinc/42/51/60/555425160.db2.gz OEAHCHYXZXZRCP-RUZDIDTESA-N 0 0 472.637 5.286 40 0 JKABRN Cc1cc2cc(CN(Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498846 555425180 /nfs/dbraw/zinc/42/51/80/555425180.db2.gz JCXNJLQHOYQXIR-HSZRJFAPSA-N 0 0 478.666 5.347 40 0 JKABRN Cc1cc2cc(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498889 555426029 /nfs/dbraw/zinc/42/60/29/555426029.db2.gz AROSIMDYIAPRSY-AHWVRZQESA-N 0 0 492.668 5.015 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499054 555427572 /nfs/dbraw/zinc/42/75/72/555427572.db2.gz ZBAJCPHPBWTDOY-HHHXNRCGSA-N 0 0 496.615 5.172 40 0 JKABRN Cc1cc(C)c2cc(CN(CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499033 555427731 /nfs/dbraw/zinc/42/77/31/555427731.db2.gz UHXJEEPXCZMYDH-NDEPHWFRSA-N 0 0 498.675 5.689 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499124 555428373 /nfs/dbraw/zinc/42/83/73/555428373.db2.gz FHYJXKHYJSSYFE-XMMPIXPASA-N 0 0 492.693 5.738 40 0 JKABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499135 555428490 /nfs/dbraw/zinc/42/84/90/555428490.db2.gz WZUSHYPBRRGLCJ-AHWVRZQESA-N 0 0 492.668 5.015 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499136 555428511 /nfs/dbraw/zinc/42/85/11/555428511.db2.gz DYYKNVJXJRDKOB-AREMUKBSSA-N 0 0 488.636 5.629 40 0 JKABRN Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000013499215 555429298 /nfs/dbraw/zinc/42/92/98/555429298.db2.gz GVVDCWFKLYRRQN-UHFFFAOYSA-N 0 0 481.017 5.498 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499255 555429529 /nfs/dbraw/zinc/42/95/29/555429529.db2.gz VKLZYLMZODWCSG-MUUNZHRXSA-N 0 0 498.675 6.044 40 0 JKABRN CCC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499332 555430321 /nfs/dbraw/zinc/43/03/21/555430321.db2.gz DYWVMTVCEOHLNZ-MHZLTWQESA-N 0 0 496.615 5.202 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499446 555431246 /nfs/dbraw/zinc/43/12/46/555431246.db2.gz LMPHOZTZYPSNMZ-SANMLTNESA-N 0 0 486.664 5.473 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499472 555431710 /nfs/dbraw/zinc/43/17/10/555431710.db2.gz CVKWCOZUNIQKSY-NDEPHWFRSA-N 0 0 498.675 6.180 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499473 555431849 /nfs/dbraw/zinc/43/18/49/555431849.db2.gz XVYMUPJACHGULJ-AZGAKELHSA-N 0 0 492.668 5.159 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499564 555432919 /nfs/dbraw/zinc/43/29/19/555432919.db2.gz RMSKFASFULFPKS-MHZLTWQESA-N 0 0 484.648 5.790 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499583 555432945 /nfs/dbraw/zinc/43/29/45/555432945.db2.gz HYLCCVUGQJLANQ-HHHXNRCGSA-N 0 0 496.615 5.316 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499556 555433009 /nfs/dbraw/zinc/43/30/09/555433009.db2.gz BYHSGEUDOPSYQR-DEOSSOPVSA-N 0 0 476.625 5.413 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499576 555433027 /nfs/dbraw/zinc/43/30/27/555433027.db2.gz CYPSAXRFPDSUPS-SANMLTNESA-N 0 0 488.636 5.773 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499626 555433916 /nfs/dbraw/zinc/43/39/16/555433916.db2.gz GATAWKLDZOGZLS-VWLOTQADSA-N 0 0 486.664 5.820 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499628 555434054 /nfs/dbraw/zinc/43/40/54/555434054.db2.gz OEMZEAJWMYPGNX-QHCPKHFHSA-N 0 0 476.625 5.413 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499672 555434339 /nfs/dbraw/zinc/43/43/39/555434339.db2.gz VBSIUVMVYJARJU-MHZLTWQESA-N 0 0 498.675 6.099 40 0 JKABRN Cc1cccc(C)c1NC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)C[C@@H](C)CC4 ZINC000013499692 555434435 /nfs/dbraw/zinc/43/44/35/555434435.db2.gz DEVUBYFMGFVYHT-LBPRGKRZSA-N 0 0 451.621 5.120 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499671 555434454 /nfs/dbraw/zinc/43/44/54/555434454.db2.gz VBSIUVMVYJARJU-HHHXNRCGSA-N 0 0 498.675 6.099 40 0 JKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(OC)cc4)n21)CC[C@@H](C)C3 ZINC000013499768 555434685 /nfs/dbraw/zinc/43/46/85/555434685.db2.gz XGJJERPLBBOPSR-CYBMUJFWSA-N 0 0 452.605 5.010 40 0 JKABRN CCc1nc2sc3c(c2c2nnc(SCc4cc(=O)[nH]c5ccccc45)n21)CC[C@H](C)C3 ZINC000013499783 555434695 /nfs/dbraw/zinc/43/46/95/555434695.db2.gz IHNPUBDBOGBZTH-ZDUSSCGKSA-N 0 0 461.616 5.160 40 0 JKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4C)n21)CC[C@@H](C)C3 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496.615 5.058 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500471 555440391 /nfs/dbraw/zinc/44/03/91/555440391.db2.gz ZKVGHTOYAZVVCG-QHCPKHFHSA-N 0 0 478.666 5.429 40 0 JKABRN Cc1cccc2cc(CN(Cc3cccs3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500472 555440607 /nfs/dbraw/zinc/44/06/07/555440607.db2.gz AECHEYPPJNSQOV-RUZDIDTESA-N 0 0 490.677 5.789 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500497 555440865 /nfs/dbraw/zinc/44/08/65/555440865.db2.gz BLROLSQJAGKBBJ-DEOSSOPVSA-N 0 0 492.693 5.738 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500498 555441059 /nfs/dbraw/zinc/44/10/59/555441059.db2.gz OVVWHKGGZOCVGL-AREMUKBSSA-N 0 0 486.664 5.410 40 0 JKABRN Cc1cccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)c1 ZINC000013500520 555441127 /nfs/dbraw/zinc/44/11/27/555441127.db2.gz HURWMVDSSMWAPH-MUUNZHRXSA-N 0 0 498.675 5.689 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1Cl)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500709 555442850 /nfs/dbraw/zinc/44/28/50/555442850.db2.gz VRYIBDCOJZGGQZ-QHCPKHFHSA-N 0 0 493.055 5.775 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1Cl)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500708 555442992 /nfs/dbraw/zinc/44/29/92/555442992.db2.gz VRYIBDCOJZGGQZ-HSZRJFAPSA-N 0 0 493.055 5.775 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500721 555443441 /nfs/dbraw/zinc/44/34/41/555443441.db2.gz JEOAMJYQOUORLJ-VWLOTQADSA-N 0 0 488.636 5.130 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500771 555443889 /nfs/dbraw/zinc/44/38/89/555443889.db2.gz JFTXXRAXBPCIKP-VWLOTQADSA-N 0 0 472.637 5.512 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500798 555443921 /nfs/dbraw/zinc/44/39/21/555443921.db2.gz MTWUBBUDRSRFBB-HHHXNRCGSA-N 0 0 498.675 6.180 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500770 555443943 /nfs/dbraw/zinc/44/39/43/555443943.db2.gz JFTXXRAXBPCIKP-RUZDIDTESA-N 0 0 472.637 5.512 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500780 555443978 /nfs/dbraw/zinc/44/39/78/555443978.db2.gz CAZYDABDOIONNB-AREMUKBSSA-N 0 0 482.588 5.008 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500768 555444032 /nfs/dbraw/zinc/44/40/32/555444032.db2.gz PLJUNPMTJXHISV-XMMPIXPASA-N 0 0 472.637 5.512 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500830 555444226 /nfs/dbraw/zinc/44/42/26/555444226.db2.gz DOYQSZOMVWRPIY-RUZDIDTESA-N 0 0 488.611 5.621 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500800 555444444 /nfs/dbraw/zinc/44/44/44/555444444.db2.gz RIMFKTSVWZQURC-AREMUKBSSA-N 0 0 496.615 5.316 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500835 555444462 /nfs/dbraw/zinc/44/44/62/555444462.db2.gz FZWHGIRDMHOOMV-SANMLTNESA-N 0 0 488.611 5.621 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500822 555444472 /nfs/dbraw/zinc/44/44/72/555444472.db2.gz PNQXYXWDXMVOLI-HHHXNRCGSA-N 0 0 498.675 6.099 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500913 555445088 /nfs/dbraw/zinc/44/50/88/555445088.db2.gz MJVMRFYUUBSGDN-DEOSSOPVSA-N 0 0 460.582 5.075 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500910 555445140 /nfs/dbraw/zinc/44/51/40/555445140.db2.gz IXIJQYDBHKYJQF-HSZRJFAPSA-N 0 0 462.598 5.105 40 0 JKABRN CCC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500924 555445540 /nfs/dbraw/zinc/44/55/40/555445540.db2.gz ZHKIPXWSYQBDKN-HHHXNRCGSA-N 0 0 496.615 5.202 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500939 555445590 /nfs/dbraw/zinc/44/55/90/555445590.db2.gz YXSLTFKIMQQQHI-DEOSSOPVSA-N 0 0 492.624 5.195 40 0 JKABRN CCC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500949 555445597 /nfs/dbraw/zinc/44/55/97/555445597.db2.gz RIFMHJCMXTULQT-VWLOTQADSA-N 0 0 498.656 5.476 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500973 555445771 /nfs/dbraw/zinc/44/57/71/555445771.db2.gz GVGFVNJXHAYNLY-DEOSSOPVSA-N 0 0 490.677 5.852 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500984 555445868 /nfs/dbraw/zinc/44/58/68/555445868.db2.gz KVHJCBFFQDNHJU-AREMUKBSSA-N 0 0 496.615 5.050 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500958 555445939 /nfs/dbraw/zinc/44/59/39/555445939.db2.gz FRMXDEQZWIZXQR-XMMPIXPASA-N 0 0 476.650 5.543 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500971 555445954 /nfs/dbraw/zinc/44/59/54/555445954.db2.gz JXSGFLUMOISTDC-QHCPKHFHSA-N 0 0 492.693 5.882 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500978 555445984 /nfs/dbraw/zinc/44/59/84/555445984.db2.gz MFBDYQOGKNYAML-AREMUKBSSA-N 0 0 484.648 5.524 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500962 555445992 /nfs/dbraw/zinc/44/59/92/555445992.db2.gz LEJQTQNKHVAQEW-AREMUKBSSA-N 0 0 498.656 5.476 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500972 555446008 /nfs/dbraw/zinc/44/60/08/555446008.db2.gz GVGFVNJXHAYNLY-XMMPIXPASA-N 0 0 490.677 5.852 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500991 555446231 /nfs/dbraw/zinc/44/62/31/555446231.db2.gz GLXCASIMDXENFB-NDEPHWFRSA-N 0 0 498.675 5.914 40 0 JKABRN Cc1cccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@H](C(=O)NC(C)C)c2ccc(Cl)cc2)c1 ZINC000013501374 555449306 /nfs/dbraw/zinc/44/93/06/555449306.db2.gz WDWYRWUWRCVUKM-SANMLTNESA-N 0 0 493.007 5.061 40 0 JKABRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(Cc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 ZINC000013502016 555452616 /nfs/dbraw/zinc/45/26/16/555452616.db2.gz LCWKEWWURHJJBU-UHFFFAOYSA-N 0 0 499.039 7.113 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)c1ccccn1 ZINC000013502097 555452773 /nfs/dbraw/zinc/45/27/73/555452773.db2.gz DNZZIBVPZQGZSA-HHHXNRCGSA-N 0 0 489.591 5.452 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)c1ccccn1 ZINC000013502091 555452795 /nfs/dbraw/zinc/45/27/95/555452795.db2.gz WEZIKBOPPMFENW-MUUNZHRXSA-N 0 0 485.628 5.355 40 0 JKABRN COc1ccc(CN(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2Cl)cc1 ZINC000013502084 555452798 /nfs/dbraw/zinc/45/27/98/555452798.db2.gz SLKKAOYERMJOPA-SANMLTNESA-N 0 0 492.019 5.576 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1Cl)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000013502082 555452806 /nfs/dbraw/zinc/45/28/06/555452806.db2.gz SAIHIBURVJRUTL-QHCPKHFHSA-N 0 0 451.954 5.161 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)c1ccccn1 ZINC000013502092 555452851 /nfs/dbraw/zinc/45/28/51/555452851.db2.gz WEZIKBOPPMFENW-NDEPHWFRSA-N 0 0 485.628 5.355 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)c1ccccn1 ZINC000013502130 555452980 /nfs/dbraw/zinc/45/29/80/555452980.db2.gz ASXIHJYEPYWQAE-VWLOTQADSA-N 0 0 463.528 5.192 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccc(OC)cc1 ZINC000013502112 555452999 /nfs/dbraw/zinc/45/29/99/555452999.db2.gz ZYEPHIDJXUFJGH-MHZLTWQESA-N 0 0 487.600 5.326 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)c1ccccn1 ZINC000013502167 555453225 /nfs/dbraw/zinc/45/32/25/555453225.db2.gz WJZNYUZZCGLBEL-AREMUKBSSA-N 0 0 459.565 5.362 40 0 JKABRN COc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1 ZINC000013502183 555453263 /nfs/dbraw/zinc/45/32/63/555453263.db2.gz WQSIUROFTXYNJT-AREMUKBSSA-N 0 0 457.574 5.236 40 0 JKABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C)cc2)c1 ZINC000013502198 555453585 /nfs/dbraw/zinc/45/35/85/555453585.db2.gz FYCDIBVBRZUNGI-MHZLTWQESA-N 0 0 487.600 5.244 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)c1 ZINC000013502258 555453823 /nfs/dbraw/zinc/45/38/23/555453823.db2.gz DEXSIWRUOFDGJH-VWLOTQADSA-N 0 0 461.537 5.066 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(Cl)cc2)c1 ZINC000013502255 555453828 /nfs/dbraw/zinc/45/38/28/555453828.db2.gz MIVIFOZVVRXWQS-RUZDIDTESA-N 0 0 477.992 5.581 40 0 JKABRN COc1cccc(CN(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013502290 555454088 /nfs/dbraw/zinc/45/40/88/555454088.db2.gz CJLFAAUVKZYHRM-SANMLTNESA-N 0 0 475.564 5.062 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C)cc2)c1 ZINC000013502272 555454172 /nfs/dbraw/zinc/45/41/72/555454172.db2.gz DVCNWZNGYCRLEY-SANMLTNESA-N 0 0 457.574 5.236 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(Cl)c2)cc1 ZINC000013502333 555454357 /nfs/dbraw/zinc/45/43/57/555454357.db2.gz KULLOIDDKSBPMF-VWLOTQADSA-N 0 0 477.992 5.581 40 0 JKABRN COc1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013502316 555454381 /nfs/dbraw/zinc/45/43/81/555454381.db2.gz SLRRSZIPBPKJQU-RUZDIDTESA-N 0 0 461.537 5.066 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)c1 ZINC000013502351 555454558 /nfs/dbraw/zinc/45/45/58/555454558.db2.gz VUNAHBICFSQKBM-MHZLTWQESA-N 0 0 487.600 5.326 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc3c(c2)CCC3)cc1 ZINC000013502342 555454608 /nfs/dbraw/zinc/45/46/08/555454608.db2.gz ZTAKKIIXXJJIIJ-MUUNZHRXSA-N 0 0 483.612 5.416 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)cc1 ZINC000013502365 555454619 /nfs/dbraw/zinc/45/46/19/555454619.db2.gz RUZBCBBUICBTAJ-SANMLTNESA-N 0 0 475.564 5.456 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)cc1 ZINC000013502339 555454643 /nfs/dbraw/zinc/45/46/43/555454643.db2.gz TZSSSXMORAMRJK-VWLOTQADSA-N 0 0 461.537 5.066 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc3c(c2)CCC3)cc1 ZINC000013502343 555454678 /nfs/dbraw/zinc/45/46/78/555454678.db2.gz ZTAKKIIXXJJIIJ-NDEPHWFRSA-N 0 0 483.612 5.416 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc3c(c2)OCO3)cc1 ZINC000013502386 555454842 /nfs/dbraw/zinc/45/48/42/555454842.db2.gz FZVWIDIWRPHCGH-HHHXNRCGSA-N 0 0 485.584 5.210 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc3c(c2)OCO3)cc1 ZINC000013502387 555454843 /nfs/dbraw/zinc/45/48/43/555454843.db2.gz FZVWIDIWRPHCGH-MHZLTWQESA-N 0 0 485.584 5.210 40 0 JKABRN COC(=O)c1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000013502397 555454880 /nfs/dbraw/zinc/45/48/80/555454880.db2.gz YSVNOYDAVZKJHU-SANMLTNESA-N 0 0 485.584 5.014 40 0 JKABRN COC(=O)c1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)c1 ZINC000013502398 555454891 /nfs/dbraw/zinc/45/48/91/555454891.db2.gz JRTBQRRGNUEUGK-AREMUKBSSA-N 0 0 485.584 5.014 40 0 JKABRN COc1ccc2nc(NC(=O)CSc3nc(C4CCCCC4)nc4ccccc43)sc2c1 ZINC000013502520 555455595 /nfs/dbraw/zinc/45/55/95/555455595.db2.gz NGEFGABYUIHSHB-UHFFFAOYSA-N 0 0 464.616 6.027 40 0 JKABRN Cc1nc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)C[C@@H](C)CC5)sc1C ZINC000013502548 555455826 /nfs/dbraw/zinc/45/58/26/555455826.db2.gz FOYLULYSLFGBTH-NSHDSACASA-N 0 0 486.692 5.391 40 0 JKABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)Nc4nc5c(s4)CCCC5)n21)CCCC3 ZINC000013502531 555455894 /nfs/dbraw/zinc/45/58/94/555455894.db2.gz IMZMONHTYSIUTK-UHFFFAOYSA-N 0 0 498.703 5.407 40 0 JKABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)NCc4cccs4)n21)CC[C@H](C)C3 ZINC000013502561 555455908 /nfs/dbraw/zinc/45/59/08/555455908.db2.gz BYOFARZPICVNIQ-ZDUSSCGKSA-N 0 0 471.677 5.057 40 0 JKABRN CC(=O)Nc1ccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)CCCC5)cc1 ZINC000013502529 555455913 /nfs/dbraw/zinc/45/59/13/555455913.db2.gz FLQXTRCIVGUKST-UHFFFAOYSA-N 0 0 494.646 5.030 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccc(C)cc3)cc12 ZINC000013502623 555456202 /nfs/dbraw/zinc/45/62/02/555456202.db2.gz DNPZASBVPARYBR-UHFFFAOYSA-N 0 0 474.630 5.261 40 0 JKABRN CCC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1C ZINC000013502685 555456548 /nfs/dbraw/zinc/45/65/48/555456548.db2.gz JZANQRLPXOLSKZ-UHFFFAOYSA-N 0 0 469.610 6.213 40 0 JKABRN COc1ccc(CCNC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1OC ZINC000013502683 555456566 /nfs/dbraw/zinc/45/65/66/555456566.db2.gz QSAKKDNQWCNVEU-UHFFFAOYSA-N 0 0 472.610 5.294 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)c3ccccc3C)cc12 ZINC000013502631 555456587 /nfs/dbraw/zinc/45/65/87/555456587.db2.gz LZKLDSZAHSQBMF-UHFFFAOYSA-N 0 0 472.614 5.409 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N([C@H](C)C(=O)NC3CCCCC3)C3CCCC3)cc12 ZINC000013502646 555456593 /nfs/dbraw/zinc/45/65/93/555456593.db2.gz QJMHNBFCYNQXEU-LJQANCHMSA-N 0 0 478.662 5.618 40 0 JKABRN CCc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000013502633 555456605 /nfs/dbraw/zinc/45/66/05/555456605.db2.gz QLOBOXXPSRCJSB-UHFFFAOYSA-N 0 0 486.641 5.663 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCc3ccccc3)CC(=O)NC3CCCC3)cc12 ZINC000013502638 555456672 /nfs/dbraw/zinc/45/66/72/555456672.db2.gz MBVXWOMDNIPPIK-UHFFFAOYSA-N 0 0 486.641 5.139 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)c3ccc(C)cc3C)cc12 ZINC000013502635 555456684 /nfs/dbraw/zinc/45/66/84/555456684.db2.gz SWILBXUEZKWRFQ-UHFFFAOYSA-N 0 0 486.641 5.718 40 0 JKABRN CC[C@@H](C)C(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccccc2)c2ccccc2)C[C@@H]1C ZINC000009724549 555457200 /nfs/dbraw/zinc/45/72/00/555457200.db2.gz STCHVDZRUSRENI-VHSZZVNMSA-N 0 0 456.586 6.011 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)C1=Cc2ccccc2OC1 ZINC000013503371 555460620 /nfs/dbraw/zinc/46/06/20/555460620.db2.gz IBZSUQVESAWZRJ-LJAQVGFWSA-N 0 0 498.598 5.821 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccc(C(C)C)cc2)cc1 ZINC000013503505 555460982 /nfs/dbraw/zinc/46/09/82/555460982.db2.gz MCWOZXMJZPGPFU-HHHXNRCGSA-N 0 0 474.601 6.167 40 0 JKABRN CCc1cc2c(C)cc(C)cc2nc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000013503585 555461282 /nfs/dbraw/zinc/46/12/82/555461282.db2.gz AEYQAVVPZQEHII-UHFFFAOYSA-N 0 0 491.081 7.989 40 0 JKABRN COc1ccc(CNC(=O)[C@@H](c2ccco2)N(CCc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000013505922 555468791 /nfs/dbraw/zinc/46/87/91/555468791.db2.gz VPNKMHWOQLCMLK-HHHXNRCGSA-N 0 0 488.609 5.021 40 0 JKABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1F ZINC000013505966 555468807 /nfs/dbraw/zinc/46/88/07/555468807.db2.gz SWXOLXURRYFGIM-RUZDIDTESA-N 0 0 468.594 5.125 40 0 JKABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NCc1ccc(OC)cc1)c1cccs1 ZINC000013505925 555468841 /nfs/dbraw/zinc/46/88/41/555468841.db2.gz YMBUVZYZKIALMK-HSZRJFAPSA-N 0 0 456.633 5.047 40 0 JKABRN Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013506456 555471689 /nfs/dbraw/zinc/47/16/89/555471689.db2.gz MNHZJQFSIIRIIA-XMMPIXPASA-N 0 0 495.670 5.071 40 0 JKABRN Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013506474 555471777 /nfs/dbraw/zinc/47/17/77/555471777.db2.gz JTPSHAXOEWVHCJ-AREMUKBSSA-N 0 0 489.641 5.010 40 0 JKABRN CCCCc1nc2cc(NC(=O)CCC(=O)OCC)c(C)nc2n1Cc1ccccc1Cl ZINC000013509685 555481452 /nfs/dbraw/zinc/48/14/52/555481452.db2.gz ANJOEQLRORPWQK-UHFFFAOYSA-N 0 0 456.974 5.066 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1Cl ZINC000013509694 555481490 /nfs/dbraw/zinc/48/14/90/555481490.db2.gz KZMXBDSQTOKWTP-UHFFFAOYSA-N 0 0 467.400 6.690 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1ccccc1Cl ZINC000013509691 555481504 /nfs/dbraw/zinc/48/15/04/555481504.db2.gz SHLCBNRQRBKEIG-UHFFFAOYSA-N 0 0 467.400 6.690 40 0 JKABRN CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1ccccc1OC ZINC000013509647 555481571 /nfs/dbraw/zinc/48/15/71/555481571.db2.gz IXSYADCNPITCBF-UHFFFAOYSA-N 0 0 477.996 6.437 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)c3cccc(Cl)c3)c2C)n1Cc1ccc(Cl)cc1 ZINC000013509793 555481807 /nfs/dbraw/zinc/48/18/07/555481807.db2.gz CTLJRATUOFASPN-UHFFFAOYSA-N 0 0 467.400 6.690 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)Nc3ccc(Cl)cc3)c2C)n1Cc1ccc(Cl)cc1 ZINC000013509803 555481810 /nfs/dbraw/zinc/48/18/10/555481810.db2.gz BSPJQUVLYSCJRS-UHFFFAOYSA-N 0 0 482.415 7.081 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)NCCNc3nc(C)nc4sc(C)c(C)c43)cc12 ZINC000013510245 555481971 /nfs/dbraw/zinc/48/19/71/555481971.db2.gz OTQRJUGBVORLKF-UHFFFAOYSA-N 0 0 476.631 5.167 40 0 JKABRN C[C@@H]1CCCCN1C(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c21)CCCC3 ZINC000013510560 555482530 /nfs/dbraw/zinc/48/25/30/555482530.db2.gz CAPGIAVVTXUNGD-LREROPASSA-N 0 0 495.758 6.531 40 0 JKABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013511946 555483526 /nfs/dbraw/zinc/48/35/26/555483526.db2.gz UQKHXXIFTXJVDW-FSSWDIPSSA-N 0 0 453.325 5.353 40 0 JKABRN 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/nfs/dbraw/zinc/51/48/16/555514816.db2.gz VTXSTMXGXVRKLD-UHFFFAOYSA-N 0 0 466.603 5.180 40 0 JKABRN CSc1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000019856362 555515156 /nfs/dbraw/zinc/51/51/56/555515156.db2.gz XJWJVZARIIQDMS-UHFFFAOYSA-N 0 0 461.008 5.204 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000019856390 555515395 /nfs/dbraw/zinc/51/53/95/555515395.db2.gz GMQZCDQNGKKOGK-UHFFFAOYSA-N 0 0 463.386 5.390 40 0 JKABRN CCOc1ccccc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019856379 555515423 /nfs/dbraw/zinc/51/54/23/555515423.db2.gz GBWRCJKTQGCWCU-UHFFFAOYSA-N 0 0 492.519 5.247 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019856436 555515696 /nfs/dbraw/zinc/51/56/96/555515696.db2.gz NKCOVCSERGTTGO-UHFFFAOYSA-N 0 0 491.034 5.295 40 0 JKABRN COc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000019856566 555516247 /nfs/dbraw/zinc/51/62/47/555516247.db2.gz FFFPJRRUOIHTER-UHFFFAOYSA-N 0 0 491.034 5.213 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019856568 555516316 /nfs/dbraw/zinc/51/63/16/555516316.db2.gz FCLRARUUJQSDCV-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2cccc(Cl)c2C)cc1 ZINC000019856601 555516502 /nfs/dbraw/zinc/51/65/02/555516502.db2.gz JUWSYSFMYKGGQN-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN CSc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000019856589 555516514 /nfs/dbraw/zinc/51/65/14/555516514.db2.gz SFGFGDXALZMHMS-UHFFFAOYSA-N 0 0 454.617 5.366 40 0 JKABRN COc1cccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000019856571 555516527 /nfs/dbraw/zinc/51/65/27/555516527.db2.gz WQCJGIFKBROLKV-UHFFFAOYSA-N 0 0 466.603 5.269 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2ccc(C)cc2C)cc1 ZINC000019856741 555517409 /nfs/dbraw/zinc/51/74/09/555517409.db2.gz ADBIHJGWMRFENF-UHFFFAOYSA-N 0 0 464.631 5.878 40 0 JKABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1c(F)cccc1F ZINC000019856803 555517419 /nfs/dbraw/zinc/51/74/19/555517419.db2.gz XRSRHIFQQCNXBJ-UHFFFAOYSA-N 0 0 471.312 5.106 40 0 JKABRN COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581614 555519433 /nfs/dbraw/zinc/51/94/33/555519433.db2.gz KJQFQSGKKZWPND-UHFFFAOYSA-N 0 0 480.586 5.305 40 0 JKABRN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581693 555519751 /nfs/dbraw/zinc/51/97/51/555519751.db2.gz YLDCEEQFNWDNHS-UHFFFAOYSA-N 0 0 480.586 5.305 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)NCCc4ccccc4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584128 555521259 /nfs/dbraw/zinc/52/12/59/555521259.db2.gz GSNKZWVPQFWWGH-UHFFFAOYSA-N 0 0 478.639 5.148 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)N[C@@H](C)c4ccccc4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584126 555521334 /nfs/dbraw/zinc/52/13/34/555521334.db2.gz PGZGEJAIZMDERZ-IBGZPJMESA-N 0 0 478.639 5.667 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)Nc4c(C)cccc4C)cc3c2)S(C)(=O)=O)cc1 ZINC000013584159 555521595 /nfs/dbraw/zinc/52/15/95/555521595.db2.gz OZGBWEPBKVVRAI-UHFFFAOYSA-N 0 0 478.639 6.045 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)Nc4ccc(C)cc4C)cc3c2)S(C)(=O)=O)cc1 ZINC000013584154 555521696 /nfs/dbraw/zinc/52/16/96/555521696.db2.gz XPIKTJQKCPHOKX-UHFFFAOYSA-N 0 0 478.639 6.045 40 0 JKABRN CCOc1ccccc1NC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584217 555521702 /nfs/dbraw/zinc/52/17/02/555521702.db2.gz RSDSABKVIHYPNQ-UHFFFAOYSA-N 0 0 494.638 5.827 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(=O)NC3CCCCC3)cc2c1 ZINC000013584326 555521930 /nfs/dbraw/zinc/52/19/30/555521930.db2.gz ZUGMSEXWQPHLJM-UHFFFAOYSA-N 0 0 477.051 5.583 40 0 JKABRN CC(C)OCCCNC(=O)c1cc2cc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584457 555522079 /nfs/dbraw/zinc/52/20/79/555522079.db2.gz INGTVGKCGZKLEW-UHFFFAOYSA-N 0 0 495.066 5.066 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)ccc3s2)cc1C ZINC000013584381 555522136 /nfs/dbraw/zinc/52/21/36/555522136.db2.gz XZDADBKRBUFZCJ-UHFFFAOYSA-N 0 0 499.057 6.390 40 0 JKABRN Cc1cc(C)cc(NC(=O)c2cc3cc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)ccc3s2)c1 ZINC000013584383 555522143 /nfs/dbraw/zinc/52/21/43/555522143.db2.gz HEZDWIRDIVJPLC-UHFFFAOYSA-N 0 0 499.057 6.390 40 0 JKABRN CCCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584491 555522187 /nfs/dbraw/zinc/52/21/87/555522187.db2.gz WZVGIBGHWFBKGZ-UHFFFAOYSA-N 0 0 481.437 5.019 40 0 JKABRN CCCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584570 555522461 /nfs/dbraw/zinc/52/24/61/555522461.db2.gz XHYLDKZNHVHJJK-UHFFFAOYSA-N 0 0 481.437 5.019 40 0 JKABRN CCN(CC)C(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584599 555522469 /nfs/dbraw/zinc/52/24/69/555522469.db2.gz MOIIYEHTFGOZPN-UHFFFAOYSA-N 0 0 495.464 5.361 40 0 JKABRN CN(c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584835 555522686 /nfs/dbraw/zinc/52/26/86/555522686.db2.gz UGBDRGQGYJXQHO-UHFFFAOYSA-N 0 0 488.565 5.322 40 0 JKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868390 555522820 /nfs/dbraw/zinc/52/28/20/555522820.db2.gz YRHROEUFHGLUJI-UHFFFAOYSA-N 0 0 495.350 5.193 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000013585136 555523161 /nfs/dbraw/zinc/52/31/61/555523161.db2.gz PNHKRAGLTYWJSC-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585326 555523438 /nfs/dbraw/zinc/52/34/38/555523438.db2.gz AQNKJYQWEVJEOU-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN CCC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013585551 555523985 /nfs/dbraw/zinc/52/39/85/555523985.db2.gz HAPFSOLYGRUZFT-JOCHJYFZSA-N 0 0 480.630 5.074 40 0 JKABRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000013586098 555524552 /nfs/dbraw/zinc/52/45/52/555524552.db2.gz PCNWOGGHJADFON-UHFFFAOYSA-N 0 0 457.861 5.360 40 0 JKABRN COc1ccc([C@H](O)[P@@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1OC ZINC000013597014 555529493 /nfs/dbraw/zinc/52/94/93/555529493.db2.gz RLTJEKQEQDPJCD-CEKRXMJWSA-N 0 0 489.593 5.842 40 0 JKABRN O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(I)cc1 ZINC000013602450 555530382 /nfs/dbraw/zinc/53/03/82/555530382.db2.gz OBQRWZIIFBWGTG-UHFFFAOYSA-N 0 0 476.701 5.449 40 0 JKABRN CCOc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2Cl)ccc1O ZINC000013607455 555531681 /nfs/dbraw/zinc/53/16/81/555531681.db2.gz ZKTHAUVEDZILFI-AYCKEJKLSA-N 0 0 493.431 5.405 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Br)cc1Cl ZINC000013609563 555532870 /nfs/dbraw/zinc/53/28/70/555532870.db2.gz KZPZHMVBTZWBHD-UHFFFAOYSA-N 0 0 483.749 5.852 40 0 JKABRN COc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc(OC)c1OC ZINC000019894520 555532991 /nfs/dbraw/zinc/53/29/91/555532991.db2.gz ZEAVIPALIJZLNT-UHFFFAOYSA-N 0 0 480.973 6.409 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3c(C)cccc3C)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000013609869 555533512 /nfs/dbraw/zinc/53/35/12/555533512.db2.gz GLIORFWBZPVNTH-UHFFFAOYSA-N 0 0 494.638 5.994 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2cccc(C)c2)cc1 ZINC000013612051 555534429 /nfs/dbraw/zinc/53/44/29/555534429.db2.gz HEGYQQWTSKPEGR-UHFFFAOYSA-N 0 0 484.621 5.629 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCCc2ccccc2)cc1)c1cccc(Cl)c1Cl ZINC000013612142 555534436 /nfs/dbraw/zinc/53/44/36/555534436.db2.gz AAKDOSVMVKCEJB-UHFFFAOYSA-N 0 0 491.440 5.322 40 0 JKABRN O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000013611449 555534451 /nfs/dbraw/zinc/53/44/51/555534451.db2.gz OUWXDHUZGPDICR-UHFFFAOYSA-N 0 0 480.943 5.061 40 0 JKABRN Cc1cccc(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000013612570 555534791 /nfs/dbraw/zinc/53/47/91/555534791.db2.gz QSRXAFDRSJZUPN-HHHXNRCGSA-N 0 0 479.045 5.785 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000013613244 555535288 /nfs/dbraw/zinc/53/52/88/555535288.db2.gz ZVRIMNBHVJFNOK-HXUWFJFHSA-N 0 0 456.652 5.348 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3sc4ccccc4c3Cl)c2)cc1 ZINC000013628100 555539962 /nfs/dbraw/zinc/53/99/62/555539962.db2.gz UEEJFMCCTQQMCO-UHFFFAOYSA-N 0 0 463.002 7.357 40 0 JKABRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628337 555540240 /nfs/dbraw/zinc/54/02/40/555540240.db2.gz QBPLHJULMPJRTH-KRWDZBQOSA-N 0 0 450.966 6.296 40 0 JKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628501 555540269 /nfs/dbraw/zinc/54/02/69/555540269.db2.gz ZTIZIMULEFCZIK-FQEVSTJZSA-N 0 0 472.629 6.940 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628839 555540471 /nfs/dbraw/zinc/54/04/71/555540471.db2.gz XTVVQDIZMZMHBC-UHFFFAOYSA-N 0 0 489.641 6.152 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628835 555540482 /nfs/dbraw/zinc/54/04/82/555540482.db2.gz WEDPNCRCHBHJCO-UHFFFAOYSA-N 0 0 475.614 5.762 40 0 JKABRN COc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628741 555540557 /nfs/dbraw/zinc/54/05/57/555540557.db2.gz BHWVVRKFILXFEB-UHFFFAOYSA-N 0 0 461.587 5.372 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628801 555540567 /nfs/dbraw/zinc/54/05/67/555540567.db2.gz UGPFVAWFJSEQCE-UHFFFAOYSA-N 0 0 489.641 6.152 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(Br)cc1 ZINC000019927727 555542616 /nfs/dbraw/zinc/54/26/16/555542616.db2.gz MGDDJJVMMGSCGS-UHFFFAOYSA-N 0 0 476.787 5.723 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)cc1C ZINC000019927992 555543312 /nfs/dbraw/zinc/54/33/12/555543312.db2.gz QKMLIWWHVIZBQK-UHFFFAOYSA-N 0 0 475.595 6.187 40 0 JKABRN O=C1C[C@@H](c2ccccc2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000013634253 555543999 /nfs/dbraw/zinc/54/39/99/555543999.db2.gz NUGHAIWLTUPSPG-INIZCTEOSA-N 0 0 465.376 5.092 40 0 JKABRN COc1ccccc1OCc1nnc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)o1 ZINC000019928533 555544316 /nfs/dbraw/zinc/54/43/16/555544316.db2.gz WQMYSNXBRKKVKW-UHFFFAOYSA-N 0 0 452.536 5.297 40 0 JKABRN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1Br ZINC000013634976 555544313 /nfs/dbraw/zinc/54/43/13/555544313.db2.gz ZKJKLOJKYPOPRC-UHFFFAOYSA-N 0 0 457.711 6.172 40 0 JKABRN CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cc(OC)cc(OC)c1 ZINC000019928633 555544374 /nfs/dbraw/zinc/54/43/74/555544374.db2.gz IMUGPZRKXCUACD-UHFFFAOYSA-N 0 0 452.363 5.264 40 0 JKABRN COc1cccc(OCc2nnc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)c1 ZINC000019928609 555544405 /nfs/dbraw/zinc/54/44/05/555544405.db2.gz OCDZGAYDHZLAHM-UHFFFAOYSA-N 0 0 452.536 5.297 40 0 JKABRN CCCCCN1c2ccccc2[C@@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(=O)NC1CCCCC1 ZINC000013635407 555544639 /nfs/dbraw/zinc/54/46/39/555544639.db2.gz DZBVAMIEIRVBSW-PMERELPUSA-N 0 0 484.644 5.849 40 0 JKABRN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cc(OC)cc(OC)c1 ZINC000019928864 555544788 /nfs/dbraw/zinc/54/47/88/555544788.db2.gz NZVAWQOTAOQDEE-UHFFFAOYSA-N 0 0 474.586 5.439 40 0 JKABRN Cc1nn2c(nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1cccc2ccccc21 ZINC000013635675 555545040 /nfs/dbraw/zinc/54/50/40/555545040.db2.gz CYIWMIXBSWEPHB-UHFFFAOYSA-N 0 0 461.447 5.832 40 0 JKABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)o1 ZINC000019929133 555545416 /nfs/dbraw/zinc/54/54/16/555545416.db2.gz GBQFGORYOZISTM-UHFFFAOYSA-N 0 0 451.935 5.856 40 0 JKABRN COc1cc(OC)cc(-c2nnc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)c1 ZINC000019929016 555545445 /nfs/dbraw/zinc/54/54/45/555545445.db2.gz NMVYHMUEHXFANQ-UHFFFAOYSA-N 0 0 452.536 5.394 40 0 JKABRN COCc1nn2c(nnc3c2C[C@@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000013639358 555546108 /nfs/dbraw/zinc/54/61/08/555546108.db2.gz GLBFUVUEJVPRNX-OAHLLOKOSA-N 0 0 453.329 5.157 40 0 JKABRN COc1ccc(OCc2nnc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)cc1 ZINC000019929340 555546153 /nfs/dbraw/zinc/54/61/53/555546153.db2.gz FWSCROHRPWKUDR-UHFFFAOYSA-N 0 0 452.536 5.297 40 0 JKABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000019929425 555546446 /nfs/dbraw/zinc/54/64/46/555546446.db2.gz ANDKKVZOBZUSDC-UHFFFAOYSA-N 0 0 493.633 5.546 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1cc(Cl)ccc1OC ZINC000019929384 555546529 /nfs/dbraw/zinc/54/65/29/555546529.db2.gz GHIYTTKHRGBGER-UHFFFAOYSA-N 0 0 495.830 5.429 40 0 JKABRN CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccc(OC)cc1 ZINC000019931460 555548886 /nfs/dbraw/zinc/54/88/86/555548886.db2.gz VDEAODAYYAYNQC-SHQCIBLASA-N 0 0 495.044 6.004 40 0 JKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000019931651 555549146 /nfs/dbraw/zinc/54/91/46/555549146.db2.gz POYULPDQGGFXOQ-MHZLTWQESA-N 0 0 488.609 6.054 40 0 JKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000019931702 555549235 /nfs/dbraw/zinc/54/92/35/555549235.db2.gz NZEMNADOJPWUIK-UHFFFAOYSA-N 0 0 478.998 5.460 40 0 JKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000019932485 555549642 /nfs/dbraw/zinc/54/96/42/555549642.db2.gz ZQVXISPHPJQDSH-GOSISDBHSA-N 0 0 472.994 5.472 40 0 JKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000019932652 555550022 /nfs/dbraw/zinc/55/00/22/555550022.db2.gz XRTRFJQSJFDIKT-QHCPKHFHSA-N 0 0 489.062 6.267 40 0 JKABRN Cc1ccccc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000019933078 555550251 /nfs/dbraw/zinc/55/02/51/555550251.db2.gz SYLKHSBQIZAPRK-DEOSSOPVSA-N 0 0 450.604 5.094 40 0 JKABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000019933358 555550659 /nfs/dbraw/zinc/55/06/59/555550659.db2.gz ICWZNSSSDPGMBM-JOCHJYFZSA-N 0 0 489.424 5.383 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl ZINC000009848712 555550922 /nfs/dbraw/zinc/55/09/22/555550922.db2.gz IHTMGWAICUQANN-UHFFFAOYSA-N 0 0 476.216 6.309 40 0 JKABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000019933789 555550992 /nfs/dbraw/zinc/55/09/92/555550992.db2.gz BHDQIQSYRAPVDA-UHFFFAOYSA-N 0 0 480.583 6.288 40 0 JKABRN O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000019933749 555550998 /nfs/dbraw/zinc/55/09/98/555550998.db2.gz FMTSYJMOOVBUJP-HSZRJFAPSA-N 0 0 494.682 5.451 40 0 JKABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013646852 555551124 /nfs/dbraw/zinc/55/11/24/555551124.db2.gz PZQFZIARMNUHGB-NRFANRHFSA-N 0 0 494.657 5.374 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000019933980 555551223 /nfs/dbraw/zinc/55/12/23/555551223.db2.gz CSZGREVLPDAKBO-LJQANCHMSA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2cc(C)cc(C)c2)cc1 ZINC000019934023 555551265 /nfs/dbraw/zinc/55/12/65/555551265.db2.gz CKMKDVBDURMLRO-HSZRJFAPSA-N 0 0 464.631 5.301 40 0 JKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000019933930 555551326 /nfs/dbraw/zinc/55/13/26/555551326.db2.gz BRNHLMGDOQFFJE-XMMPIXPASA-N 0 0 466.603 5.517 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000019934290 555551554 /nfs/dbraw/zinc/55/15/54/555551554.db2.gz UKOZUVRQHRLWOK-VWLOTQADSA-N 0 0 464.631 5.348 40 0 JKABRN CCOc1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000013647720 555551918 /nfs/dbraw/zinc/55/19/18/555551918.db2.gz LWLSSTIPYCSDLK-SANMLTNESA-N 0 0 481.017 5.443 40 0 JKABRN COc1cccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000013647712 555552018 /nfs/dbraw/zinc/55/20/18/555552018.db2.gz UUSJNFHDJIJMCU-HXUWFJFHSA-N 0 0 480.630 5.065 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013648494 555553012 /nfs/dbraw/zinc/55/30/12/555553012.db2.gz QHVPISNIWNSWCS-FQEVSTJZSA-N 0 0 482.621 5.504 40 0 JKABRN Cc1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1Cl ZINC000013648632 555553016 /nfs/dbraw/zinc/55/30/16/555553016.db2.gz KGDAWQUMZNCGLS-ZNZIZOMTSA-N 0 0 468.940 5.853 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3F)ccc2C)c1 ZINC000013648540 555553058 /nfs/dbraw/zinc/55/30/58/555553058.db2.gz QYZKNWRDKCPNHT-UHFFFAOYSA-N 0 0 486.634 5.215 40 0 JKABRN COc1ccc([C@H](CC(=O)Nc2ccccc2C(F)(F)F)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936019 555553458 /nfs/dbraw/zinc/55/34/58/555553458.db2.gz LIIZQJWPWYVYIO-QFIPXVFZSA-N 0 0 492.519 5.105 40 0 JKABRN COc1ccc([C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936021 555553500 /nfs/dbraw/zinc/55/35/00/555553500.db2.gz RXVUXAYYLKYXKJ-JOCHJYFZSA-N 0 0 492.519 5.105 40 0 JKABRN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000013649751 555553722 /nfs/dbraw/zinc/55/37/22/555553722.db2.gz UHFZLENFZXURNZ-UHFFFAOYSA-N 0 0 494.922 5.143 40 0 JKABRN COc1ccc([C@H](CC(=O)Nc2c(C)cc(C)cc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936227 555554030 /nfs/dbraw/zinc/55/40/30/555554030.db2.gz RDQUCBWNLKUBDR-DEOSSOPVSA-N 0 0 466.603 5.011 40 0 JKABRN COc1ccc([C@@H](CC(=O)Nc2c(C)cccc2C(C)C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936236 555554048 /nfs/dbraw/zinc/55/40/48/555554048.db2.gz JHYRHNLCVTWGMA-RUZDIDTESA-N 0 0 480.630 5.518 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2)S(C)(=O)=O)c1 ZINC000013649806 555554049 /nfs/dbraw/zinc/55/40/49/555554049.db2.gz NWFJBCJEONHUKO-OAQYLSRUSA-N 0 0 478.658 5.750 40 0 JKABRN CN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000019937864 555554602 /nfs/dbraw/zinc/55/46/02/555554602.db2.gz PBZBBPLLUWEWRG-UHFFFAOYSA-N 0 0 498.910 5.201 40 0 JKABRN CCc1cccc(C)c1NC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019938023 555555094 /nfs/dbraw/zinc/55/50/94/555555094.db2.gz ATRVGEAEGPDARD-UHFFFAOYSA-N 0 0 466.603 5.099 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938033 555555098 /nfs/dbraw/zinc/55/50/98/555555098.db2.gz HEBUZIUVTCCDGV-UHFFFAOYSA-N 0 0 492.519 5.247 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938027 555555161 /nfs/dbraw/zinc/55/51/61/555555161.db2.gz CHBBXYAMAKBOMD-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938073 555555482 /nfs/dbraw/zinc/55/54/82/555555482.db2.gz NYDOHQROMCEWMB-FQEVSTJZSA-N 0 0 498.670 5.188 40 0 JKABRN CCN(c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938064 555555489 /nfs/dbraw/zinc/55/54/89/555555489.db2.gz ZWSFVPBDWMIXHX-LJQANCHMSA-N 0 0 487.021 5.120 40 0 JKABRN Cc1cc(C)c(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)c(C)c1 ZINC000013659469 555555841 /nfs/dbraw/zinc/55/58/41/555555841.db2.gz WHEUFGRVKOTSBF-MYKRZTLLSA-N 0 0 462.549 5.816 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013668397 555557440 /nfs/dbraw/zinc/55/74/40/555557440.db2.gz YWDRJVIKHYWQDN-HXUWFJFHSA-N 0 0 499.076 6.019 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013668652 555557809 /nfs/dbraw/zinc/55/78/09/555557809.db2.gz VQOCXWVLFVYMQA-UHFFFAOYSA-N 0 0 463.386 5.160 40 0 JKABRN Cc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013668972 555558356 /nfs/dbraw/zinc/55/83/56/555558356.db2.gz VMYSUISTQJKDQG-UHFFFAOYSA-N 0 0 491.440 5.246 40 0 JKABRN C[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013668996 555558388 /nfs/dbraw/zinc/55/83/88/555558388.db2.gz SIWGYZFVODJPAZ-LJQANCHMSA-N 0 0 450.604 5.300 40 0 JKABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000013669086 555558729 /nfs/dbraw/zinc/55/87/29/555558729.db2.gz FFRDEUIKYGGALU-UHFFFAOYSA-N 0 0 480.586 5.150 40 0 JKABRN CCOc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000013669082 555558768 /nfs/dbraw/zinc/55/87/68/555558768.db2.gz AOUAYMUEYGJHAT-RUZDIDTESA-N 0 0 466.990 5.765 40 0 JKABRN CN(C(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000013669132 555558787 /nfs/dbraw/zinc/55/87/87/555558787.db2.gz XLZDXPALJLGKHW-UHFFFAOYSA-N 0 0 463.386 5.236 40 0 JKABRN C[C@H](NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013669382 555559329 /nfs/dbraw/zinc/55/93/29/555559329.db2.gz CPFOPVWYTPQMTP-IBGZPJMESA-N 0 0 499.076 6.095 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000013669488 555559396 /nfs/dbraw/zinc/55/93/96/555559396.db2.gz DMTSGPBWZANHPF-OAQYLSRUSA-N 0 0 494.657 5.456 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000013669425 555559418 /nfs/dbraw/zinc/55/94/18/555559418.db2.gz OPOBRRNZBZBINC-IBGZPJMESA-N 0 0 480.630 5.309 40 0 JKABRN Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000013669587 555559572 /nfs/dbraw/zinc/55/95/72/555559572.db2.gz NSSIXSRAGFRWLV-LJQANCHMSA-N 0 0 450.604 5.584 40 0 JKABRN C[C@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013669808 555559958 /nfs/dbraw/zinc/55/99/58/555559958.db2.gz IQTQGWCHNLBMSR-AWEZNQCLSA-N 0 0 490.975 5.300 40 0 JKABRN Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000013669862 555560005 /nfs/dbraw/zinc/56/00/05/555560005.db2.gz CCHIUODUHIONQY-LJQANCHMSA-N 0 0 450.604 5.584 40 0 JKABRN C[C@H](NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013670046 555560563 /nfs/dbraw/zinc/56/05/63/555560563.db2.gz VBYYZUVHCQBFGH-SFTDATJTSA-N 0 0 494.657 5.808 40 0 JKABRN C[C@@H](NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013670045 555560580 /nfs/dbraw/zinc/56/05/80/555560580.db2.gz VBYYZUVHCQBFGH-RTWAWAEBSA-N 0 0 494.657 5.808 40 0 JKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1C ZINC000013670127 555560610 /nfs/dbraw/zinc/56/06/10/555560610.db2.gz KADHWAHXCLJTOV-UHFFFAOYSA-N 0 0 480.586 5.150 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2F)cc1 ZINC000013670803 555561805 /nfs/dbraw/zinc/56/18/05/555561805.db2.gz SYAJZDPNQNEERF-HXUWFJFHSA-N 0 0 482.621 5.504 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2F)cc1 ZINC000013670804 555561827 /nfs/dbraw/zinc/56/18/27/555561827.db2.gz SYAJZDPNQNEERF-FQEVSTJZSA-N 0 0 482.621 5.504 40 0 JKABRN S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000009876771 555562156 /nfs/dbraw/zinc/56/21/56/555562156.db2.gz NAPIKFVEQRVIOH-UHFFFAOYSA-N 0 0 458.414 6.305 40 0 JKABRN COc1ccccc1N1CCN(C(=S)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 ZINC000009877226 555562185 /nfs/dbraw/zinc/56/21/85/555562185.db2.gz RLIDTUADUSFFHE-UHFFFAOYSA-N 0 0 453.995 5.660 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000013671120 555562423 /nfs/dbraw/zinc/56/24/23/555562423.db2.gz IBGJDNPFPUAHIA-FQEVSTJZSA-N 0 0 482.621 5.504 40 0 JKABRN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O ZINC000009886241 555562542 /nfs/dbraw/zinc/56/25/42/555562542.db2.gz UPCAYEJVDLFULG-VULFUBBASA-N 0 0 455.602 5.641 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013671186 555562889 /nfs/dbraw/zinc/56/28/89/555562889.db2.gz OIBZPWKHABUHPC-UHFFFAOYSA-N 0 0 491.440 5.246 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)C(Cl)(Cl)Cl ZINC000009892109 555562926 /nfs/dbraw/zinc/56/29/26/555562926.db2.gz BBJIRJKWGLAMOI-UHFFFAOYSA-N 0 0 499.206 6.485 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1 ZINC000019946173 555563026 /nfs/dbraw/zinc/56/30/26/555563026.db2.gz GYNAMWDLONSHJN-UHFFFAOYSA-N 0 0 472.566 5.621 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000019946881 555563442 /nfs/dbraw/zinc/56/34/42/555563442.db2.gz FAOILNVVZVAPAL-UHFFFAOYSA-N 0 0 486.593 5.930 40 0 JKABRN Cc1cccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000019946610 555563452 /nfs/dbraw/zinc/56/34/52/555563452.db2.gz NFXWNLZYUIAJSH-UHFFFAOYSA-N 0 0 472.566 5.621 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccc(C)c(C)c2)cc1 ZINC000019947017 555563455 /nfs/dbraw/zinc/56/34/55/555563455.db2.gz 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Cc1cccc(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000013673879 555565459 /nfs/dbraw/zinc/56/54/59/555565459.db2.gz UYXZFPKLWVGZNP-UHFFFAOYSA-N 0 0 491.440 5.246 40 0 JKABRN Cc1ccc(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013674831 555566096 /nfs/dbraw/zinc/56/60/96/555566096.db2.gz WBVLYXFOQPAQFP-UHFFFAOYSA-N 0 0 491.440 5.246 40 0 JKABRN Cc1cccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000013675301 555566315 /nfs/dbraw/zinc/56/63/15/555566315.db2.gz YERANVCGGFLYAC-RUZDIDTESA-N 0 0 450.991 5.353 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCc3ccccc32)cc1 ZINC000013675725 555566911 /nfs/dbraw/zinc/56/69/11/555566911.db2.gz BDSAVEKGUOALPJ-UHFFFAOYSA-N 0 0 482.605 5.593 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCCc3ccccc32)cc1 ZINC000013676260 555567335 /nfs/dbraw/zinc/56/73/35/555567335.db2.gz RYKJQTCMJNFRPP-UHFFFAOYSA-N 0 0 496.632 5.984 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)cc1C ZINC000013676951 555567841 /nfs/dbraw/zinc/56/78/41/555567841.db2.gz LZRKVGGBHGWXSD-UHFFFAOYSA-N 0 0 499.441 5.353 40 0 JKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013676911 555567887 /nfs/dbraw/zinc/56/78/87/555567887.db2.gz VEBSYNWOJDQQIA-LBPRGKRZSA-N 0 0 496.243 5.481 40 0 JKABRN CN(c1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1)S(=O)(=O)c1cccs1 ZINC000013677594 555568682 /nfs/dbraw/zinc/56/86/82/555568682.db2.gz ILEWXKYBJWMMJR-UHFFFAOYSA-N 0 0 474.913 5.498 40 0 JKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013677807 555568832 /nfs/dbraw/zinc/56/88/32/555568832.db2.gz ZRRKNDGWWVFEEE-UHFFFAOYSA-N 0 0 496.243 5.481 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)c2)cc1 ZINC000013677778 555568956 /nfs/dbraw/zinc/56/89/56/555568956.db2.gz XAUYGHMDGDTUQW-UHFFFAOYSA-N 0 0 491.613 5.064 40 0 JKABRN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013678475 555569722 /nfs/dbraw/zinc/56/97/22/555569722.db2.gz 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555574562 /nfs/dbraw/zinc/57/45/62/555574562.db2.gz CYWUMEQLAKSURT-UHFFFAOYSA-N 0 0 477.413 5.327 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N(Cc1ccco1)Cc1ccccc1 ZINC000019972848 555574646 /nfs/dbraw/zinc/57/46/46/555574646.db2.gz HYZUICPJBMORQD-AREMUKBSSA-N 0 0 496.615 5.353 40 0 JKABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)cc2c1 ZINC000019972967 555574910 /nfs/dbraw/zinc/57/49/10/555574910.db2.gz DSLFJEAEPPKFES-SANMLTNESA-N 0 0 496.615 5.217 40 0 JKABRN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013682305 555575876 /nfs/dbraw/zinc/57/58/76/555575876.db2.gz HGHJSDKJDOQJSL-QGZVFWFLSA-N 0 0 469.434 5.045 40 0 JKABRN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000013682637 555576261 /nfs/dbraw/zinc/57/62/61/555576261.db2.gz AMDSPVBAHRMLRE-UHFFFAOYSA-N 0 0 483.461 5.517 40 0 JKABRN O=C(Nc1ccccc1-c1ccccc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013682832 555576307 /nfs/dbraw/zinc/57/63/07/555576307.db2.gz XWWKEUBCAGOGIB-HHHXNRCGSA-N 0 0 484.577 5.090 40 0 JKABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000013683003 555576541 /nfs/dbraw/zinc/57/65/41/555576541.db2.gz GTAGADFBGCQYHW-UHFFFAOYSA-N 0 0 463.386 5.592 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1Br ZINC000013683654 555577562 /nfs/dbraw/zinc/57/75/62/555577562.db2.gz VOUKWHRTEZILLQ-KRWDZBQOSA-N 0 0 467.363 5.266 40 0 JKABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(Br)c1 ZINC000013683912 555577896 /nfs/dbraw/zinc/57/78/96/555577896.db2.gz RKNGMFDFOQRIBD-GOSISDBHSA-N 0 0 495.417 6.081 40 0 JKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(Br)c1 ZINC000013683991 555577941 /nfs/dbraw/zinc/57/79/41/555577941.db2.gz MAUYPFBSUNMUBR-UHFFFAOYSA-N 0 0 496.405 5.089 40 0 JKABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(Br)c1 ZINC000013683875 555577953 /nfs/dbraw/zinc/57/79/53/555577953.db2.gz PKXGBIMQMIVUSU-UHFFFAOYSA-N 0 0 473.411 5.653 40 0 JKABRN 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555592190 /nfs/dbraw/zinc/59/21/90/555592190.db2.gz JAWLMHJLXRFRMZ-NRFANRHFSA-N 0 0 475.035 5.675 40 0 JKABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)c3)nn12 ZINC000010010346 555592476 /nfs/dbraw/zinc/59/24/76/555592476.db2.gz OEVXGMKIZQSJRA-NSHDSACASA-N 0 0 492.388 5.137 40 0 JKABRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000010010488 555592718 /nfs/dbraw/zinc/59/27/18/555592718.db2.gz RSESOXPAIRBNSF-UHFFFAOYSA-N 0 0 492.790 5.828 40 0 JKABRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000010010472 555592721 /nfs/dbraw/zinc/59/27/21/555592721.db2.gz HMLGKCPBZVVVPB-ZRDIBKRKSA-N 0 0 467.928 5.060 40 0 JKABRN CC[C@@H](C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715599 555593108 /nfs/dbraw/zinc/59/31/08/555593108.db2.gz IWALLSRSAXGGSE-DFFJHKNISA-N 0 0 484.637 5.477 40 0 JKABRN CC[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716163 555593580 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Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2ccc(Cl)cc2C)cc1 ZINC000020037020 555611134 /nfs/dbraw/zinc/61/11/34/555611134.db2.gz BANHIAONMUWWJL-RUZDIDTESA-N 0 0 499.076 6.056 40 0 JKABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000013757701 555611198 /nfs/dbraw/zinc/61/11/98/555611198.db2.gz LSOWSSNQULASJV-VJBWXMMDSA-N 0 0 499.350 5.062 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc2)cc1OC ZINC000020037628 555611827 /nfs/dbraw/zinc/61/18/27/555611827.db2.gz VVLXJRMPRIQRDJ-DEOSSOPVSA-N 0 0 496.629 5.046 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc2)cc1OC ZINC000020037632 555611868 /nfs/dbraw/zinc/61/18/68/555611868.db2.gz VVLXJRMPRIQRDJ-XMMPIXPASA-N 0 0 496.629 5.046 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)cc1Cl ZINC000020037606 555611888 /nfs/dbraw/zinc/61/18/88/555611888.db2.gz MISFRCNNLQWDGO-SFHVURJKSA-N 0 0 472.994 5.472 40 0 JKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)c2)cc1 ZINC000020038118 555612141 /nfs/dbraw/zinc/61/21/41/555612141.db2.gz VHNRJIXOMINKGY-XHLNEMQHSA-N 0 0 459.589 7.394 40 0 JKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000020039422 555612835 /nfs/dbraw/zinc/61/28/35/555612835.db2.gz AVZIKRIBAQZKGG-QFIPXVFZSA-N 0 0 493.412 5.899 40 0 JKABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000020039541 555612986 /nfs/dbraw/zinc/61/29/86/555612986.db2.gz NQJBTYYGRAYXCO-NRFANRHFSA-N 0 0 489.424 5.383 40 0 JKABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020039689 555613017 /nfs/dbraw/zinc/61/30/17/555613017.db2.gz DTXWDMBFXMRWEB-LJQANCHMSA-N 0 0 487.021 5.120 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020041151 555613705 /nfs/dbraw/zinc/61/37/05/555613705.db2.gz BJKWJJGNACXQEL-QHCPKHFHSA-N 0 0 456.995 5.111 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000020041904 555613965 /nfs/dbraw/zinc/61/39/65/555613965.db2.gz NEMDEEREPJDHBX-SFHVURJKSA-N 0 0 487.021 5.196 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000020041210 555614040 /nfs/dbraw/zinc/61/40/40/555614040.db2.gz RLWWBKYBJBTIHL-HSZRJFAPSA-N 0 0 471.022 5.420 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020042837 555614714 /nfs/dbraw/zinc/61/47/14/555614714.db2.gz OSMMDZJMQRASLI-HSZRJFAPSA-N 0 0 491.440 5.765 40 0 JKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000020043506 555614965 /nfs/dbraw/zinc/61/49/65/555614965.db2.gz JYTIWPLGGVJCSL-INIZCTEOSA-N 0 0 492.519 5.475 40 0 JKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000020043286 555615028 /nfs/dbraw/zinc/61/50/28/555615028.db2.gz CJKPZNMRCMUTMT-NRFANRHFSA-N 0 0 488.609 5.972 40 0 JKABRN CCSc1ccccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000020044282 555615614 /nfs/dbraw/zinc/61/56/14/555615614.db2.gz CNSYLFZRCCMFJO-UHFFFAOYSA-N 0 0 458.580 5.156 40 0 JKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020044697 555615625 /nfs/dbraw/zinc/61/56/25/555615625.db2.gz YBIUWQNXVLUXLB-UHFFFAOYSA-N 0 0 455.579 6.689 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020044344 555615651 /nfs/dbraw/zinc/61/56/51/555615651.db2.gz IDDNYKSCWNMEOJ-HSZRJFAPSA-N 0 0 491.440 5.765 40 0 JKABRN O=C(NCCSCc1cccc(Cl)c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020044643 555615662 /nfs/dbraw/zinc/61/56/62/555615662.db2.gz WHUZNFIZGXTXMU-UHFFFAOYSA-N 0 0 458.048 6.174 40 0 JKABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccc(C)cc3)cc2)cc1 ZINC000020044858 555615876 /nfs/dbraw/zinc/61/58/76/555615876.db2.gz IOILQUUUNXTHMJ-GOSISDBHSA-N 0 0 454.617 5.033 40 0 JKABRN COc1ccc([C@@H](O)[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000013775610 555616050 /nfs/dbraw/zinc/61/60/50/555616050.db2.gz IEEDKELFULDVCX-FLAUHNRRSA-N 0 0 459.567 5.833 40 0 JKABRN CC(C)C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000020045651 555616261 /nfs/dbraw/zinc/61/62/61/555616261.db2.gz WVDKTKNPCMATPJ-LBNVMWSVSA-N 0 0 493.072 6.631 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020046689 555617256 /nfs/dbraw/zinc/61/72/56/555617256.db2.gz DFQMAPQHEFITTM-KRWDZBQOSA-N 0 0 477.413 5.375 40 0 JKABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000020046980 555617550 /nfs/dbraw/zinc/61/75/50/555617550.db2.gz KVCHBINHVSLXRS-FQEVSTJZSA-N 0 0 498.670 5.188 40 0 JKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020048147 555618297 /nfs/dbraw/zinc/61/82/97/555618297.db2.gz DCQMPMWITABSBJ-UHFFFAOYSA-N 0 0 464.801 6.750 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCCOc3ccc(Cl)cc3)c2)cc1 ZINC000020048564 555618425 /nfs/dbraw/zinc/61/84/25/555618425.db2.gz JZOJEDCNUJPIRA-UHFFFAOYSA-N 0 0 464.993 6.688 40 0 JKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020049109 555618732 /nfs/dbraw/zinc/61/87/32/555618732.db2.gz JHMPHMIONBLUDM-UHFFFAOYSA-N 0 0 498.004 5.019 40 0 JKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020049605 555618995 /nfs/dbraw/zinc/61/89/95/555618995.db2.gz FYTZGEUVJOZVDL-HXUWFJFHSA-N 0 0 451.566 6.774 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000020049714 555619021 /nfs/dbraw/zinc/61/90/21/555619021.db2.gz CBNBZTDZFVYUCF-DEOSSOPVSA-N 0 0 485.049 5.728 40 0 JKABRN COc1cccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020049650 555619028 /nfs/dbraw/zinc/61/90/28/555619028.db2.gz SZPPXQFARMQRHP-SANMLTNESA-N 0 0 480.630 5.103 40 0 JKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000020050151 555619348 /nfs/dbraw/zinc/61/93/48/555619348.db2.gz ZDURFENSXQTBPM-UHFFFAOYSA-N 0 0 460.555 5.518 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2cccc(Cl)c2)cc1 ZINC000020049863 555619402 /nfs/dbraw/zinc/61/94/02/555619402.db2.gz JYSOPHVNECEPGW-IBGZPJMESA-N 0 0 487.021 5.038 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)cc2)cc1 ZINC000020050299 555619425 /nfs/dbraw/zinc/61/94/25/555619425.db2.gz VGWSNPZTFXYTHS-HHHXNRCGSA-N 0 0 470.594 5.624 40 0 JKABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(C)cc1 ZINC000020050192 555619443 /nfs/dbraw/zinc/61/94/43/555619443.db2.gz ATZXYBNEQUDQMP-QHCPKHFHSA-N 0 0 456.995 5.355 40 0 JKABRN COc1ccc(S[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1OC ZINC000020049872 555619446 /nfs/dbraw/zinc/61/94/46/555619446.db2.gz DVNIGHAIZRWSGN-ZDUSSCGKSA-N 0 0 460.448 5.541 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccc(C(C)C)cc2)cc1 ZINC000010110208 555619584 /nfs/dbraw/zinc/61/95/84/555619584.db2.gz HVWDCBZVORNKOT-UHFFFAOYSA-N 0 0 464.631 5.063 40 0 JKABRN CCCOc1ccc([C@H]2c3c(O)n(-c4ccc(CC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000013787649 555619753 /nfs/dbraw/zinc/61/97/53/555619753.db2.gz XYZIWRRLWQCUOS-QKDODKLFSA-N 0 0 486.568 5.098 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)cc1C ZINC000020050345 555619737 /nfs/dbraw/zinc/61/97/37/555619737.db2.gz YKVCVJVHYPFPRF-VWLOTQADSA-N 0 0 464.631 5.930 40 0 JKABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(C(F)(F)F)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013788037 555619767 /nfs/dbraw/zinc/61/97/67/555619767.db2.gz NUSLVQVAMIDFEU-FSSWDIPSSA-N 0 0 452.432 5.065 40 0 JKABRN CSc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013788103 555620106 /nfs/dbraw/zinc/62/01/06/555620106.db2.gz ZQKZWPWZSLAQMV-GSDHBNRESA-N 0 0 466.562 5.613 40 0 JKABRN Cc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000010110670 555620592 /nfs/dbraw/zinc/62/05/92/555620592.db2.gz YQOIPFJIJQODHC-UHFFFAOYSA-N 0 0 491.440 5.246 40 0 JKABRN Cc1cccc(CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 ZINC000010110733 555620740 /nfs/dbraw/zinc/62/07/40/555620740.db2.gz FGAFWTIVPWEBPX-NDEPHWFRSA-N 0 0 458.627 5.174 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2cc(Cl)ccc2C)cc1 ZINC000010110676 555620780 /nfs/dbraw/zinc/62/07/80/555620780.db2.gz UVPRRNSMOAHCGT-UHFFFAOYSA-N 0 0 485.049 5.210 40 0 JKABRN Cc1cccc(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 ZINC000010110732 555620821 /nfs/dbraw/zinc/62/08/21/555620821.db2.gz FGAFWTIVPWEBPX-MUUNZHRXSA-N 0 0 458.627 5.174 40 0 JKABRN CCOc1ccccc1CCCNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000010110962 555621509 /nfs/dbraw/zinc/62/15/09/555621509.db2.gz MYXRRZGIYFLRTR-UHFFFAOYSA-N 0 0 494.657 5.031 40 0 JKABRN Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000010111802 555623200 /nfs/dbraw/zinc/62/32/00/555623200.db2.gz SCFFILFIDZPULL-OAQYLSRUSA-N 0 0 464.631 5.365 40 0 JKABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000010111814 555623237 /nfs/dbraw/zinc/62/32/37/555623237.db2.gz QKTJPDNFYCFINM-OAQYLSRUSA-N 0 0 494.657 5.456 40 0 JKABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010111811 555623259 /nfs/dbraw/zinc/62/32/59/555623259.db2.gz ZOAUBFDOFWRRLI-FQEVSTJZSA-N 0 0 480.630 5.065 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000010111839 555623545 /nfs/dbraw/zinc/62/35/45/555623545.db2.gz VSVIYKOYSIXNLH-NRFANRHFSA-N 0 0 464.631 5.365 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2cc(C)cc(C)c2)cc1 ZINC000010111845 555623568 /nfs/dbraw/zinc/62/35/68/555623568.db2.gz PQTYTMQMDPZSCD-QHCPKHFHSA-N 0 0 492.685 5.982 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2C)cc1 ZINC000010111844 555623581 /nfs/dbraw/zinc/62/35/81/555623581.db2.gz TXCWVNCZBHZEJM-HSZRJFAPSA-N 0 0 492.685 5.982 40 0 JKABRN C[C@H](NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111915 555623584 /nfs/dbraw/zinc/62/35/84/555623584.db2.gz ZUHDTHOYUOGVFO-IBGZPJMESA-N 0 0 499.076 6.095 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2C)cc1 ZINC000010111843 555623593 /nfs/dbraw/zinc/62/35/93/555623593.db2.gz TXCWVNCZBHZEJM-QHCPKHFHSA-N 0 0 492.685 5.982 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000020060841 555623718 /nfs/dbraw/zinc/62/37/18/555623718.db2.gz CJCBEYNGWWFUQM-HNNXBMFYSA-N 0 0 495.453 6.222 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000020060840 555623785 /nfs/dbraw/zinc/62/37/85/555623785.db2.gz CJCBEYNGWWFUQM-OAHLLOKOSA-N 0 0 495.453 6.222 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010111962 555623837 /nfs/dbraw/zinc/62/38/37/555623837.db2.gz WZEGRLARAKRQEZ-OAQYLSRUSA-N 0 0 494.657 5.207 40 0 JKABRN C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111923 555623841 /nfs/dbraw/zinc/62/38/41/555623841.db2.gz WVTMXZHSXLHAGJ-IBGZPJMESA-N 0 0 485.049 5.710 40 0 JKABRN C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111990 555623842 /nfs/dbraw/zinc/62/38/42/555623842.db2.gz QPQPLKZITUUXGV-DWXRJYCRSA-N 0 0 462.615 5.842 40 0 JKABRN C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111970 555623852 /nfs/dbraw/zinc/62/38/52/555623852.db2.gz CHDIBSPPDIKZEZ-GOSISDBHSA-N 0 0 485.049 5.954 40 0 JKABRN Cc1ccc(N(Cc2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2)S(C)(=O)=O)cc1C ZINC000010111928 555623853 /nfs/dbraw/zinc/62/38/53/555623853.db2.gz NQRQYFAGMVYWEF-JOCHJYFZSA-N 0 0 492.685 6.058 40 0 JKABRN C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111969 555623868 /nfs/dbraw/zinc/62/38/68/555623868.db2.gz CHDIBSPPDIKZEZ-SFHVURJKSA-N 0 0 485.049 5.954 40 0 JKABRN Cc1ccc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2)S(C)(=O)=O)cc1C ZINC000010111927 555623880 /nfs/dbraw/zinc/62/38/80/555623880.db2.gz NQRQYFAGMVYWEF-QFIPXVFZSA-N 0 0 492.685 6.058 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2C)cc1Cl ZINC000010119214 555629756 /nfs/dbraw/zinc/62/97/56/555629756.db2.gz FSGFRLAYQUVIBS-UHFFFAOYSA-N 0 0 453.325 6.052 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc3ccccc32)cc1Cl ZINC000010119206 555629770 /nfs/dbraw/zinc/62/97/70/555629770.db2.gz DKEIVBRTQXSQAL-UHFFFAOYSA-N 0 0 454.913 6.243 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000010119220 555629776 /nfs/dbraw/zinc/62/97/76/555629776.db2.gz VWRNSLGOERBFQT-UHFFFAOYSA-N 0 0 473.743 6.397 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl ZINC000010119218 555629777 /nfs/dbraw/zinc/62/97/77/555629777.db2.gz RNOQAYXJQMGQDK-UHFFFAOYSA-N 0 0 473.743 6.397 40 0 JKABRN CCCCc1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn32)cc1 ZINC000010119259 555629791 /nfs/dbraw/zinc/62/97/91/555629791.db2.gz YKYUMXOPPUSQSW-UHFFFAOYSA-N 0 0 460.961 6.432 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(CC)cc(Br)c4o3)cc2)cc1 ZINC000010119734 555630924 /nfs/dbraw/zinc/63/09/24/555630924.db2.gz BQLMAHATYAVOPM-UHFFFAOYSA-N 0 0 493.401 7.251 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccccc4OC)cc3)oc2c(Br)c1 ZINC000010119720 555630952 /nfs/dbraw/zinc/63/09/52/555630952.db2.gz IBFTUWKEKYVKFW-UHFFFAOYSA-N 0 0 451.320 6.081 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3)oc2c(Br)c1 ZINC000010119723 555631013 /nfs/dbraw/zinc/63/10/13/555631013.db2.gz CFIRXNHTWVSPBC-UHFFFAOYSA-N 0 0 485.765 6.734 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(OC)cc4OC)cc3)oc2c(Br)c1 ZINC000010119724 555631026 /nfs/dbraw/zinc/63/10/26/555631026.db2.gz MQMRCBPYYYYCNS-UHFFFAOYSA-N 0 0 481.346 6.089 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4cccc(OC)c4)cc3)oc2c(Br)c1 ZINC000010119721 555631029 /nfs/dbraw/zinc/63/10/29/555631029.db2.gz XKQDHLNSSRCHTR-UHFFFAOYSA-N 0 0 451.320 6.081 40 0 JKABRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000013841872 555631212 /nfs/dbraw/zinc/63/12/12/555631212.db2.gz VCDFMNSDGHZMAU-UHFFFAOYSA-N 0 0 471.797 5.568 40 0 JKABRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000013841871 555631239 /nfs/dbraw/zinc/63/12/39/555631239.db2.gz IUGGUIMINWHNMN-UHFFFAOYSA-N 0 0 471.797 5.568 40 0 JKABRN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000013841814 555631254 /nfs/dbraw/zinc/63/12/54/555631254.db2.gz UTLMFZXZPDCICI-UHFFFAOYSA-N 0 0 492.215 5.739 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4cccc(OCC(C)C)c4)cc3)oc2c(Br)c1 ZINC000010119790 555631263 /nfs/dbraw/zinc/63/12/63/555631263.db2.gz QZYLSGMVJNYGSI-UHFFFAOYSA-N 0 0 493.401 7.107 40 0 JKABRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000013841907 555631479 /nfs/dbraw/zinc/63/14/79/555631479.db2.gz BPECTBZJERWTID-UHFFFAOYSA-N 0 0 452.967 5.414 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)COc4ccc(OC)cc4)cc3)oc2c(Br)c1 ZINC000010119807 555631473 /nfs/dbraw/zinc/63/14/73/555631473.db2.gz XGHHBCDBRSARDY-UHFFFAOYSA-N 0 0 481.346 5.846 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)COc4ccccc4F)cc3)oc2c(Br)c1 ZINC000010119816 555631484 /nfs/dbraw/zinc/63/14/84/555631484.db2.gz QWTQUBWLLSJACL-UHFFFAOYSA-N 0 0 469.310 5.976 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(O[C@@H](C)CC)cc4)cc3)oc2c(Br)c1 ZINC000010119794 555631543 /nfs/dbraw/zinc/63/15/43/555631543.db2.gz DTRZQXXECPEMTK-INIZCTEOSA-N 0 0 493.401 7.249 40 0 JKABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000010119951 555631793 /nfs/dbraw/zinc/63/17/93/555631793.db2.gz HDAIEHRQHDZCML-UHFFFAOYSA-N 0 0 486.340 5.681 40 0 JKABRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2C)cc1 ZINC000013842485 555631803 /nfs/dbraw/zinc/63/18/03/555631803.db2.gz SSMAXMGGJCHFRE-UHFFFAOYSA-N 0 0 499.851 6.209 40 0 JKABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2C)cc1 ZINC000013842164 555631826 /nfs/dbraw/zinc/63/18/26/555631826.db2.gz VMFJQEZBJUHIAD-UHFFFAOYSA-N 0 0 485.824 5.648 40 0 JKABRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)cc1 ZINC000013842429 555631828 /nfs/dbraw/zinc/63/18/28/555631828.db2.gz BVVYIJLWHCWBKD-UHFFFAOYSA-N 0 0 465.406 5.555 40 0 JKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000010120113 555632020 /nfs/dbraw/zinc/63/20/20/555632020.db2.gz HAHZZKPJQOPYNI-UHFFFAOYSA-N 0 0 463.320 7.238 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc(OC)c1OC ZINC000010120170 555632317 /nfs/dbraw/zinc/63/23/17/555632317.db2.gz RYHOMWROSGAKJK-UHFFFAOYSA-N 0 0 473.312 6.080 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)cc(OC)c1OC ZINC000010120230 555632531 /nfs/dbraw/zinc/63/25/31/555632531.db2.gz AJGMFPRQKQYYCB-UHFFFAOYSA-N 0 0 484.961 5.905 40 0 JKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1 ZINC000010120261 555632578 /nfs/dbraw/zinc/63/25/78/555632578.db2.gz AUWMEBKMNWROHD-MRXNPFEDSA-N 0 0 476.529 5.950 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc(OC)c1OC ZINC000010120222 555632601 /nfs/dbraw/zinc/63/26/01/555632601.db2.gz MYXSWPYTXKHKRY-UHFFFAOYSA-N 0 0 473.279 5.128 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)o4)ccc3o2)cc(OC)c1OC ZINC000010120256 555632629 /nfs/dbraw/zinc/63/26/29/555632629.db2.gz IOBQKSYILIDNIX-UHFFFAOYSA-N 0 0 470.481 6.033 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)cc(OC)c1OC ZINC000010120268 555632889 /nfs/dbraw/zinc/63/28/89/555632889.db2.gz QCTQPZIBGSMVCG-UHFFFAOYSA-N 0 0 476.529 5.662 40 0 JKABRN CCOc1cc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc(OCC)c1OCC ZINC000010120334 555632952 /nfs/dbraw/zinc/63/29/52/555632952.db2.gz IYLDLKMWAYCLLP-UHFFFAOYSA-N 0 0 488.584 6.238 40 0 JKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)n1C ZINC000013844268 555632951 /nfs/dbraw/zinc/63/29/51/555632951.db2.gz XRSICTAKGXAMQJ-UHFFFAOYSA-N 0 0 451.379 5.049 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3)oc2cc1C ZINC000010120425 555633080 /nfs/dbraw/zinc/63/30/80/555633080.db2.gz MRGOWMLNOXKCNA-UHFFFAOYSA-N 0 0 491.374 7.608 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(-c5ccc(F)cc5)o4)cc3)oc2cc1C ZINC000010120410 555633156 /nfs/dbraw/zinc/63/31/56/555633156.db2.gz XPENUQGJOSAGAU-WYMLVPIESA-N 0 0 466.512 6.840 40 0 JKABRN COc1ccc(CN(Cc2ccccc2Cl)[C@H](c2cccs2)c2nnnn2C(C)(C)C)cc1 ZINC000020098705 555633159 /nfs/dbraw/zinc/63/31/59/555633159.db2.gz FWAVNMSJILAHAS-HSZRJFAPSA-N 0 0 482.053 5.943 40 0 JKABRN Clc1ccc(CN(Cc2ccccc2)[C@@H](c2cccs2)c2nnnn2C2CCCC2)cc1 ZINC000020098663 555633182 /nfs/dbraw/zinc/63/31/82/555633182.db2.gz ZSDGNRIOOWGFQX-DEOSSOPVSA-N 0 0 464.038 6.295 40 0 JKABRN Clc1ccccc1CN(Cc1ccccc1)[C@@H](c1cccs1)c1nnnn1C1CCCC1 ZINC000020098667 555633199 /nfs/dbraw/zinc/63/31/99/555633199.db2.gz MFROXXGQCVJDFE-DEOSSOPVSA-N 0 0 464.038 6.295 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)cc2s1 ZINC000010127899 555633653 /nfs/dbraw/zinc/63/36/53/555633653.db2.gz QRURTDLKGYNKSY-UHFFFAOYSA-N 0 0 471.579 5.483 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128698 555634430 /nfs/dbraw/zinc/63/44/30/555634430.db2.gz BNEXEKHODNCOJF-FQEVSTJZSA-N 0 0 483.804 5.175 40 0 JKABRN CCCCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010128761 555634449 /nfs/dbraw/zinc/63/44/49/555634449.db2.gz AHFMVSCNNZDUNM-XMMPIXPASA-N 0 0 471.022 5.211 40 0 JKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128680 555634464 /nfs/dbraw/zinc/63/44/64/555634464.db2.gz XSQJUIZSFQAZLQ-FQEVSTJZSA-N 0 0 483.804 5.175 40 0 JKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000020104351 555636568 /nfs/dbraw/zinc/63/65/68/555636568.db2.gz GUEUTQLLPWSBIA-JOCHJYFZSA-N 0 0 472.994 5.554 40 0 JKABRN C[C@@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1C ZINC000013870556 555636972 /nfs/dbraw/zinc/63/69/72/555636972.db2.gz YWNXDVKLESQAGO-GFCCVEGCSA-N 0 0 481.803 5.102 40 0 JKABRN C[C@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1C ZINC000013870573 555636985 /nfs/dbraw/zinc/63/69/85/555636985.db2.gz XORGYJCIQHAVPC-NSHDSACASA-N 0 0 471.797 5.646 40 0 JKABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000010146553 555637009 /nfs/dbraw/zinc/63/70/09/555637009.db2.gz TZWMTSGOHKZPLR-MHZLTWQESA-N 0 0 486.593 5.316 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870807 555637072 /nfs/dbraw/zinc/63/70/72/555637072.db2.gz UXOGWIUFKNEBDA-ZDUSSCGKSA-N 0 0 451.379 5.476 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2Cl)n1C ZINC000013870598 555637075 /nfs/dbraw/zinc/63/70/75/555637075.db2.gz ZCOXZKMKQSXVQN-CYBMUJFWSA-N 0 0 451.379 5.301 40 0 JKABRN C[C@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C ZINC000013870567 555637084 /nfs/dbraw/zinc/63/70/84/555637084.db2.gz ABTDDAZSJBFVNL-NSHDSACASA-N 0 0 471.797 5.646 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870819 555637286 /nfs/dbraw/zinc/63/72/86/555637286.db2.gz RCGPOTCRNDDDRR-LBPRGKRZSA-N 0 0 485.824 6.129 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870824 555637290 /nfs/dbraw/zinc/63/72/90/555637290.db2.gz KDGXXNZZJGABTE-GFCCVEGCSA-N 0 0 485.824 6.129 40 0 JKABRN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870886 555637300 /nfs/dbraw/zinc/63/73/00/555637300.db2.gz TVJTZPJKBSJCJO-MRXNPFEDSA-N 0 0 466.994 5.975 40 0 JKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000013871280 555637346 /nfs/dbraw/zinc/63/73/46/555637346.db2.gz UPIAKXBTLPFUCV-ZDUSSCGKSA-N 0 0 465.406 5.555 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870825 555637360 /nfs/dbraw/zinc/63/73/60/555637360.db2.gz KDGXXNZZJGABTE-LBPRGKRZSA-N 0 0 485.824 6.129 40 0 JKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)cc1 ZINC000013871285 555637404 /nfs/dbraw/zinc/63/74/04/555637404.db2.gz NWFNWZTYPWKESY-CYBMUJFWSA-N 0 0 465.406 5.555 40 0 JKABRN C[C@H]1C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000010153211 555637608 /nfs/dbraw/zinc/63/76/08/555637608.db2.gz VTIPEJYCPRASAM-NBGIEHNGSA-N 0 0 472.566 5.655 40 0 JKABRN C[C@@H]1C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000010153207 555637613 /nfs/dbraw/zinc/63/76/13/555637613.db2.gz VTIPEJYCPRASAM-CJFMBICVSA-N 0 0 472.566 5.655 40 0 JKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2CC)cc1 ZINC000013871533 555637618 /nfs/dbraw/zinc/63/76/18/555637618.db2.gz DNGISFBZKCERBD-CQSZACIVSA-N 0 0 479.433 6.038 40 0 JKABRN CCCC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000010153247 555637663 /nfs/dbraw/zinc/63/76/63/555637663.db2.gz GSRPUJVLDWRPKE-UQBPGWFLSA-N 0 0 483.033 6.202 40 0 JKABRN C[C@@H]1C[C@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000010153202 555637670 /nfs/dbraw/zinc/63/76/70/555637670.db2.gz VTIPEJYCPRASAM-NLFFAJNJSA-N 0 0 472.566 5.655 40 0 JKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2C)cc1 ZINC000013871331 555637653 /nfs/dbraw/zinc/63/76/53/555637653.db2.gz LDUQXHLEWJZUPO-CYBMUJFWSA-N 0 0 498.958 5.921 40 0 JKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2CC)cc1 ZINC000013871604 555637885 /nfs/dbraw/zinc/63/78/85/555637885.db2.gz CYPLVVGQDKIWHX-INIZCTEOSA-N 0 0 459.015 5.693 40 0 JKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2CC)cc1 ZINC000013871600 555637900 /nfs/dbraw/zinc/63/79/00/555637900.db2.gz CBASKSZWBDSUOO-HNNXBMFYSA-N 0 0 475.014 5.393 40 0 JKABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020105080 555638042 /nfs/dbraw/zinc/63/80/42/555638042.db2.gz WBDNWYCFGCCQQO-UHFFFAOYSA-N 0 0 471.453 6.219 40 0 JKABRN CCSc1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000020105374 555638687 /nfs/dbraw/zinc/63/86/87/555638687.db2.gz ISBOQCYBPRRVFH-UHFFFAOYSA-N 0 0 486.684 5.988 40 0 JKABRN COc1ccc(-c2csc(N(C(=O)NC3CCCCC3)C3=NCCCCC3)n2)cc1OC ZINC000010166045 555638920 /nfs/dbraw/zinc/63/89/20/555638920.db2.gz SPTGZRKTGFKFQP-UHFFFAOYSA-N 0 0 456.612 5.649 40 0 JKABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1C(=O)N1CCCCCC1 ZINC000020105486 555638995 /nfs/dbraw/zinc/63/89/95/555638995.db2.gz RRAFNTBHNKMDEA-MHZLTWQESA-N 0 0 492.641 5.088 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c2cccc(C)c2)cc1 ZINC000020105576 555639386 /nfs/dbraw/zinc/63/93/86/555639386.db2.gz NSHPRYIUQKTWOX-PMERELPUSA-N 0 0 498.648 5.713 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000020105790 555639445 /nfs/dbraw/zinc/63/94/45/555639445.db2.gz QVSQCCADOOHNBB-MHZLTWQESA-N 0 0 470.594 5.340 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2ccc(C)c(C)c2)cc1 ZINC000020106317 555640058 /nfs/dbraw/zinc/64/00/58/555640058.db2.gz WEZGTTVWYLNRSC-HHHXNRCGSA-N 0 0 478.658 5.711 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000020106236 555640081 /nfs/dbraw/zinc/64/00/81/555640081.db2.gz VVKXCBGTEOCGGC-MMTVBGGISA-N 0 0 474.626 5.393 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020106772 555640208 /nfs/dbraw/zinc/64/02/08/555640208.db2.gz GYWVNTCHQLAYMI-UHFFFAOYSA-N 0 0 452.576 5.436 40 0 JKABRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020107581 555641500 /nfs/dbraw/zinc/64/15/00/555641500.db2.gz HUUVSUJYXRPEBR-UHFFFAOYSA-N 0 0 453.586 5.564 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)cc1C ZINC000020107990 555642539 /nfs/dbraw/zinc/64/25/39/555642539.db2.gz UXKFRBIFTZZPAW-FQEVSTJZSA-N 0 0 452.576 5.127 40 0 JKABRN COc1cccc([C@H]2N(c3ccccc3)N=C(C(C)=O)N2C(C)(C)C)c1OCc1ccc(F)cc1 ZINC000013895554 555642854 /nfs/dbraw/zinc/64/28/54/555642854.db2.gz JSDWHAPFFHLPDI-HHHXNRCGSA-N 0 0 475.564 5.935 40 0 JKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020108860 555644014 /nfs/dbraw/zinc/64/40/14/555644014.db2.gz KPJGCCYKCOXOJP-UHFFFAOYSA-N 0 0 478.957 6.185 40 0 JKABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000020108923 555644379 /nfs/dbraw/zinc/64/43/79/555644379.db2.gz REIRXFFQOFRIFV-NRFANRHFSA-N 0 0 493.412 5.899 40 0 JKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(OC)cc1 ZINC000020108878 555644400 /nfs/dbraw/zinc/64/44/00/555644400.db2.gz WEMBMFXFJZBHRO-QHCPKHFHSA-N 0 0 466.603 5.302 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020109129 555644540 /nfs/dbraw/zinc/64/45/40/555644540.db2.gz WDPLKFPGMABUQX-FQEVSTJZSA-N 0 0 477.413 5.456 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 ZINC000020110169 555645949 /nfs/dbraw/zinc/64/59/49/555645949.db2.gz KWTMSLNPOXDPRE-VWLOTQADSA-N 0 0 483.033 5.342 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020110394 555646257 /nfs/dbraw/zinc/64/62/57/555646257.db2.gz CMEPRUKLXLUAAK-NDEPHWFRSA-N 0 0 470.594 5.096 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000020110211 555646264 /nfs/dbraw/zinc/64/62/64/555646264.db2.gz JJFJCRXWJBMCPS-SANMLTNESA-N 0 0 491.012 5.969 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(C)cc2C)cc1 ZINC000020110174 555646315 /nfs/dbraw/zinc/64/63/15/555646315.db2.gz FQHCUJYPMLYWMX-UHFFFAOYSA-N 0 0 471.022 5.119 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000020110212 555646329 /nfs/dbraw/zinc/64/63/29/555646329.db2.gz JJFJCRXWJBMCPS-AREMUKBSSA-N 0 0 491.012 5.969 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000020110611 555646868 /nfs/dbraw/zinc/64/68/68/555646868.db2.gz GCEQWSYICAYANT-SFHVURJKSA-N 0 0 487.021 5.196 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000020110897 555647246 /nfs/dbraw/zinc/64/72/46/555647246.db2.gz VAXZVOIUYNURRD-UHFFFAOYSA-N 0 0 477.413 5.156 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2cccc(Cl)c2C)cc1 ZINC000020110813 555647258 /nfs/dbraw/zinc/64/72/58/555647258.db2.gz ZVJAUPRGNRMCMY-DEOSSOPVSA-N 0 0 483.033 5.346 40 0 JKABRN COc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013924346 555647506 /nfs/dbraw/zinc/64/75/06/555647506.db2.gz HIIZIKKUFGOILY-BKUYFWCQSA-N 0 0 478.342 5.690 40 0 JKABRN COc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000013924408 555647595 /nfs/dbraw/zinc/64/75/95/555647595.db2.gz DQDMKZVUVPNUTO-UYRXBGFRSA-N 0 0 478.298 5.021 40 0 JKABRN CC(C)C[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020111123 555647725 /nfs/dbraw/zinc/64/77/25/555647725.db2.gz WMPKBTHZCXYNMH-XMMPIXPASA-N 0 0 489.012 5.578 40 0 JKABRN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccccc1OCc1ccc(F)cc1 ZINC000013928593 555647769 /nfs/dbraw/zinc/64/77/69/555647769.db2.gz QSVBWHRDIWMGDO-MOSHPQCFSA-N 0 0 452.279 5.512 40 0 JKABRN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000013925190 555647826 /nfs/dbraw/zinc/64/78/26/555647826.db2.gz SVGSYBCSLYSZRV-BKUYFWCQSA-N 0 0 468.734 6.026 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)c1 ZINC000020111115 555647863 /nfs/dbraw/zinc/64/78/63/555647863.db2.gz YINYXEZUKBBXTK-NDEPHWFRSA-N 0 0 484.621 5.932 40 0 JKABRN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000013928880 555648049 /nfs/dbraw/zinc/64/80/49/555648049.db2.gz QENSUHWRUZWAIE-ODLFYWEKSA-N 0 0 468.292 5.566 40 0 JKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)c2)cc1 ZINC000020111551 555648198 /nfs/dbraw/zinc/64/81/98/555648198.db2.gz FWDJWYKAEPTXNF-UHFFFAOYSA-N 0 0 485.005 5.492 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000020111540 555648253 /nfs/dbraw/zinc/64/82/53/555648253.db2.gz SGONACAGFRIAGT-UHFFFAOYSA-N 0 0 477.413 5.156 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c(Cl)c1 ZINC000020111384 555648256 /nfs/dbraw/zinc/64/82/56/555648256.db2.gz CHANEJXZAMBDHV-UHFFFAOYSA-N 0 0 486.977 5.187 40 0 JKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000020111725 555648945 /nfs/dbraw/zinc/64/89/45/555648945.db2.gz VKKOTDJBSAEAHL-AREMUKBSSA-N 0 0 474.582 5.745 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCSC3CCCCC3)c2)cc1 ZINC000020112275 555649642 /nfs/dbraw/zinc/64/96/42/555649642.db2.gz SDZBARNISJFGMT-UHFFFAOYSA-N 0 0 467.056 5.245 40 0 JKABRN CC(C)C[C@H](NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 ZINC000020112364 555649917 /nfs/dbraw/zinc/64/99/17/555649917.db2.gz TTXCGELMOKLJNK-LVXARBLLSA-N 0 0 480.630 5.537 40 0 JKABRN Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013950311 555659039 /nfs/dbraw/zinc/65/90/39/555659039.db2.gz NCOKFDZPXSVGTB-UHFFFAOYSA-N 0 0 463.021 5.741 40 0 JKABRN COc1ccc(-c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000013950500 555659094 /nfs/dbraw/zinc/65/90/94/555659094.db2.gz GSBDXTWGRCRSFQ-UHFFFAOYSA-N 0 0 458.561 6.753 40 0 JKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc2c(Br)cccc12 ZINC000020139078 555662356 /nfs/dbraw/zinc/66/23/56/555662356.db2.gz BXONPZANUVFYOZ-UHFFFAOYSA-N 0 0 452.304 5.616 40 0 JKABRN COc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1-c1ccc(CO)o1 ZINC000020139277 555662429 /nfs/dbraw/zinc/66/24/29/555662429.db2.gz SSVRCWZWKDLSQJ-UHFFFAOYSA-N 0 0 482.330 5.624 40 0 JKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc2c(Br)cccc12 ZINC000020139095 555662438 /nfs/dbraw/zinc/66/24/38/555662438.db2.gz JYIKDMXNEIZMGE-UHFFFAOYSA-N 0 0 456.723 6.260 40 0 JKABRN COc1cc(NC(=O)c2cc3ccccc3c(Br)c2OC)ccc1-c1ccc(CO)o1 ZINC000020139289 555662598 /nfs/dbraw/zinc/66/25/98/555662598.db2.gz FKANGFNBQXCNBH-UHFFFAOYSA-N 0 0 482.330 5.624 40 0 JKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000020139585 555662630 /nfs/dbraw/zinc/66/26/30/555662630.db2.gz WOLPUCZTOFRMOY-UHFFFAOYSA-N 0 0 452.746 6.866 40 0 JKABRN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1-c1ccc(CO)o1 ZINC000020140013 555662928 /nfs/dbraw/zinc/66/29/28/555662928.db2.gz YEYGLEPYKCVQFW-UHFFFAOYSA-N 0 0 458.297 6.267 40 0 JKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000020140050 555662961 /nfs/dbraw/zinc/66/29/61/555662961.db2.gz ANIFPPZKTPUBRY-UHFFFAOYSA-N 0 0 462.716 6.911 40 0 JKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020140007 555662975 /nfs/dbraw/zinc/66/29/75/555662975.db2.gz YRJDXTHRRSBKOT-UHFFFAOYSA-N 0 0 458.297 6.267 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1Br ZINC000020142382 555663614 /nfs/dbraw/zinc/66/36/14/555663614.db2.gz LUTXFDSURCBLJQ-UHFFFAOYSA-N 0 0 450.716 5.506 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc(OCC)c1OCC ZINC000020143432 555663884 /nfs/dbraw/zinc/66/38/84/555663884.db2.gz YOXZNVRISOHRDV-UHFFFAOYSA-N 0 0 459.926 5.541 40 0 JKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000020143651 555664127 /nfs/dbraw/zinc/66/41/27/555664127.db2.gz GQKULQLYHZRHNI-UHFFFAOYSA-N 0 0 471.896 6.118 40 0 JKABRN Cc1cc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1-c1ccc(CO)o1 ZINC000020143706 555664138 /nfs/dbraw/zinc/66/41/38/555664138.db2.gz LZIVKZQGXZOMRJ-UHFFFAOYSA-N 0 0 451.478 5.773 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020145443 555664302 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CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014117352 555692407 /nfs/dbraw/zinc/69/24/07/555692407.db2.gz GQXHKUOYTQCJLB-UHFFFAOYSA-N 0 0 479.631 5.348 40 0 JKABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000014117461 555692696 /nfs/dbraw/zinc/69/26/96/555692696.db2.gz FBXOLIBTKSOOHX-UHFFFAOYSA-N 0 0 465.406 5.531 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCc2ccc(C(C)C)cc2)cc1OC ZINC000010338402 555692671 /nfs/dbraw/zinc/69/26/71/555692671.db2.gz ZDPFQGHCTRPNQW-UHFFFAOYSA-N 0 0 474.601 5.371 40 0 JKABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NC2CCCCC2)cc1 ZINC000010338699 555692888 /nfs/dbraw/zinc/69/28/88/555692888.db2.gz JKNJSPRUJRUPDG-UHFFFAOYSA-N 0 0 455.407 5.022 40 0 JKABRN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000010338492 555692891 /nfs/dbraw/zinc/69/28/91/555692891.db2.gz QFDXVIRPWQKENK-UHFFFAOYSA-N 0 0 463.386 5.674 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000010339199 555693494 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CCCCc1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000010358157 555695872 /nfs/dbraw/zinc/69/58/72/555695872.db2.gz WUPLXORKVQWKDO-UHFFFAOYSA-N 0 0 454.567 5.387 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2C)cc1 ZINC000010358903 555696168 /nfs/dbraw/zinc/69/61/68/555696168.db2.gz UJMNZFHGKQFUAQ-UHFFFAOYSA-N 0 0 459.365 5.119 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)S(C)(=O)=O)c1 ZINC000010358860 555696247 /nfs/dbraw/zinc/69/62/47/555696247.db2.gz YMLMCWFYHCWWRH-UHFFFAOYSA-N 0 0 497.831 6.174 40 0 JKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000010362643 555697075 /nfs/dbraw/zinc/69/70/75/555697075.db2.gz PVKXCCHAQAWCSA-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010363648 555697413 /nfs/dbraw/zinc/69/74/13/555697413.db2.gz FWGSQXMJFOEPMH-UHFFFAOYSA-N 0 0 458.539 5.840 40 0 JKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000010364336 555697618 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Cc1ccc(Cl)cc1NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010372432 555700205 /nfs/dbraw/zinc/70/02/05/555700205.db2.gz UPQBGINDUSLBBW-UHFFFAOYSA-N 0 0 497.831 6.174 40 0 JKABRN CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000010372105 555700234 /nfs/dbraw/zinc/70/02/34/555700234.db2.gz YVRKGOGHMBQKNW-UHFFFAOYSA-N 0 0 456.995 5.583 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000010372426 555700246 /nfs/dbraw/zinc/70/02/46/555700246.db2.gz FIMOWSOCCLYDLD-UHFFFAOYSA-N 0 0 464.631 5.973 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000010372346 555700354 /nfs/dbraw/zinc/70/03/54/555700354.db2.gz RLUSSUKMUSORMJ-UHFFFAOYSA-N 0 0 488.634 6.340 40 0 JKABRN CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000010381884 555701850 /nfs/dbraw/zinc/70/18/50/555701850.db2.gz FGRLCKKUPSZSJT-UHFFFAOYSA-N 0 0 475.017 6.174 40 0 JKABRN Cc1cc(C)c(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000014135381 555703032 /nfs/dbraw/zinc/70/30/32/555703032.db2.gz AZHPIRHHXUZJLZ-UHFFFAOYSA-N 0 0 456.995 5.095 40 0 JKABRN CCCCc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014135443 555703310 /nfs/dbraw/zinc/70/33/10/555703310.db2.gz FONLUDMWERZRBL-UHFFFAOYSA-N 0 0 464.631 5.210 40 0 JKABRN Cc1cc(C)c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000014135408 555703361 /nfs/dbraw/zinc/70/33/61/555703361.db2.gz MZHFEAFOESNNTP-UHFFFAOYSA-N 0 0 491.440 5.748 40 0 JKABRN CCc1cccc(CC)c1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014135506 555703373 /nfs/dbraw/zinc/70/33/73/555703373.db2.gz FDMLCUCBFAPAJO-UHFFFAOYSA-N 0 0 471.022 5.294 40 0 JKABRN CCC[C@H](C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014135548 555703573 /nfs/dbraw/zinc/70/35/73/555703573.db2.gz MIDQCGLKQVMEQY-AWEZNQCLSA-N 0 0 477.841 5.143 40 0 JKABRN CCc1cccc(CC)c1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014135527 555703627 /nfs/dbraw/zinc/70/36/27/555703627.db2.gz 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O=C(CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)Nc1cccc(C(F)(F)F)c1 ZINC000014152777 555708473 /nfs/dbraw/zinc/70/84/73/555708473.db2.gz WDJKHGIBSZMKKQ-UHFFFAOYSA-N 0 0 491.844 6.565 40 0 JKABRN COc1ccccc1NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010434030 555708605 /nfs/dbraw/zinc/70/86/05/555708605.db2.gz KCHHVMILEGXUJC-UHFFFAOYSA-N 0 0 479.385 5.221 40 0 JKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000014152965 555708792 /nfs/dbraw/zinc/70/87/92/555708792.db2.gz BAXDUDBYLYKTHW-UHFFFAOYSA-N 0 0 483.309 5.909 40 0 JKABRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000014152902 555708812 /nfs/dbraw/zinc/70/88/12/555708812.db2.gz GVHHVQCMCCCIMY-UHFFFAOYSA-N 0 0 471.426 6.220 40 0 JKABRN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000014153280 555709039 /nfs/dbraw/zinc/70/90/39/555709039.db2.gz DNPBXRLZXYCONS-MHZLTWQESA-N 0 0 460.599 5.149 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000014153332 555709098 /nfs/dbraw/zinc/70/90/98/555709098.db2.gz NLGYKMLRHLUUMJ-UHFFFAOYSA-N 0 0 491.440 6.170 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000010434291 555709136 /nfs/dbraw/zinc/70/91/36/555709136.db2.gz YVNSARKBPTZCGP-UHFFFAOYSA-N 0 0 485.049 6.318 40 0 JKABRN CCc1cccc(CC)c1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010434301 555709184 /nfs/dbraw/zinc/70/91/84/555709184.db2.gz BPUBZWRMBQYLDP-UHFFFAOYSA-N 0 0 454.567 5.169 40 0 JKABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)S(C)(=O)=O)cc1C ZINC000014153470 555709310 /nfs/dbraw/zinc/70/93/10/555709310.db2.gz QAHCEAYGOFXLKT-UDOMRMFTSA-N 0 0 480.674 5.636 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000010434425 555709322 /nfs/dbraw/zinc/70/93/22/555709322.db2.gz WXJDUIXJPXFWOL-UHFFFAOYSA-N 0 0 467.349 5.351 40 0 JKABRN COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)ccc1Cl ZINC000014153398 555709387 /nfs/dbraw/zinc/70/93/87/555709387.db2.gz STDZCWLRILUDIK-UHFFFAOYSA-N 0 0 486.977 5.105 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2C)c(C)c1 ZINC000014153360 555709415 /nfs/dbraw/zinc/70/94/15/555709415.db2.gz ZDENQDQYUDRLBD-UHFFFAOYSA-N 0 0 450.604 6.097 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000014153411 555709441 /nfs/dbraw/zinc/70/94/41/555709441.db2.gz AKKLSFRUPKOMHQ-UHFFFAOYSA-N 0 0 492.641 5.822 40 0 JKABRN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)S(C)(=O)=O)c1 ZINC000014153568 555709725 /nfs/dbraw/zinc/70/97/25/555709725.db2.gz OPDJVBQNNNZZOM-UDOMRMFTSA-N 0 0 480.674 5.636 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000014153513 555709771 /nfs/dbraw/zinc/70/97/71/555709771.db2.gz MRQARUGMRDLYAN-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN CCc1ccc(N(CC(=O)NCCSCc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014153773 555710315 /nfs/dbraw/zinc/71/03/15/555710315.db2.gz VYELTDQIHSGVJC-UHFFFAOYSA-N 0 0 496.698 5.111 40 0 JKABRN O=C(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccccc1I ZINC000014153996 555710658 /nfs/dbraw/zinc/71/06/58/555710658.db2.gz JRXXLAYBOURCBU-UHFFFAOYSA-N 0 0 457.355 6.083 40 0 JKABRN CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl ZINC000014153957 555710673 /nfs/dbraw/zinc/71/06/73/555710673.db2.gz RBPIVPGIOBJLAE-UHFFFAOYSA-N 0 0 490.623 5.036 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1C ZINC000014154107 555710896 /nfs/dbraw/zinc/71/08/96/555710896.db2.gz KKRGYFXXUUHNIR-UHFFFAOYSA-N 0 0 488.634 6.508 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2C)c1C ZINC000014154148 555710921 /nfs/dbraw/zinc/71/09/21/555710921.db2.gz JEUNGLMSUAJRDG-UHFFFAOYSA-N 0 0 477.413 5.649 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3cccc(Cl)c3)ccc2C)cc1 ZINC000014154062 555710983 /nfs/dbraw/zinc/71/09/83/555710983.db2.gz UYMFTHHPCMJQFQ-UHFFFAOYSA-N 0 0 489.062 5.421 40 0 JKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000014154270 555711194 /nfs/dbraw/zinc/71/11/94/555711194.db2.gz ASKUIIAGNUDQAB-UHFFFAOYSA-N 0 0 499.416 5.805 40 0 JKABRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000014154194 555711198 /nfs/dbraw/zinc/71/11/98/555711198.db2.gz DFBVCRHGYFPNAG-UHFFFAOYSA-N 0 0 492.984 6.494 40 0 JKABRN Cc1ccc(SCc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)cc1 ZINC000014154337 555711219 /nfs/dbraw/zinc/71/12/19/555711219.db2.gz LOQZHHIZHVPDOZ-UHFFFAOYSA-N 0 0 459.998 7.985 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000014154376 555711533 /nfs/dbraw/zinc/71/15/33/555711533.db2.gz ZRZQDUKIEVHXBF-UHFFFAOYSA-N 0 0 451.935 5.938 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000014154394 555711610 /nfs/dbraw/zinc/71/16/10/555711610.db2.gz MLUYLBNJBMUOAK-UHFFFAOYSA-N 0 0 497.831 5.467 40 0 JKABRN Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000014154597 555711834 /nfs/dbraw/zinc/71/18/34/555711834.db2.gz YZGUSJWGGKMMAT-UHFFFAOYSA-N 0 0 482.671 5.384 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2)cc1 ZINC000014154526 555711856 /nfs/dbraw/zinc/71/18/56/555711856.db2.gz RCAHHLJPUMAVQQ-UHFFFAOYSA-N 0 0 496.482 5.077 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)c1 ZINC000014154611 555711908 /nfs/dbraw/zinc/71/19/08/555711908.db2.gz WDPALLVWNGMTDG-UHFFFAOYSA-N 0 0 462.493 5.684 40 0 JKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000014154706 555712248 /nfs/dbraw/zinc/71/22/48/555712248.db2.gz VDIYRZSRZVBQTR-HXUWFJFHSA-N 0 0 493.629 5.193 40 0 JKABRN CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000014155025 555712848 /nfs/dbraw/zinc/71/28/48/555712848.db2.gz VVDDVGAGSYGGBZ-UHFFFAOYSA-N 0 0 450.604 5.790 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccc(Cl)c(Cl)c2)cc1 ZINC000014155185 555712978 /nfs/dbraw/zinc/71/29/78/555712978.db2.gz VPHSGZCYHVAPBV-UHFFFAOYSA-N 0 0 485.339 5.414 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(Cl)c3)ccc2C)cc1 ZINC000014155357 555713667 /nfs/dbraw/zinc/71/36/67/555713667.db2.gz APVFSEUSCWICTB-UHFFFAOYSA-N 0 0 493.810 5.772 40 0 JKABRN Cc1cc(C)c(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c(C)c1 ZINC000014155604 555714011 /nfs/dbraw/zinc/71/40/11/555714011.db2.gz KGRQYKUNXKQGGL-UHFFFAOYSA-N 0 0 480.674 5.484 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCSCc2ccccc2Cl)ccc1C ZINC000014155648 555714260 /nfs/dbraw/zinc/71/42/60/555714260.db2.gz YBFPPRCMHYNSFD-UHFFFAOYSA-N 0 0 489.062 5.421 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014155779 555714286 /nfs/dbraw/zinc/71/42/86/555714286.db2.gz DNBKFUSVRBHURI-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN CCc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014155652 555714319 /nfs/dbraw/zinc/71/43/19/555714319.db2.gz OXXFNCHQDFQUJJ-UHFFFAOYSA-N 0 0 476.520 5.410 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)c1 ZINC000014155908 555714639 /nfs/dbraw/zinc/71/46/39/555714639.db2.gz XIJKFZRACZIMHZ-UHFFFAOYSA-N 0 0 496.938 6.337 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c(C)c1 ZINC000014155841 555714649 /nfs/dbraw/zinc/71/46/49/555714649.db2.gz LHTIEFBADNQWPH-UHFFFAOYSA-N 0 0 470.594 6.332 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2C)c1 ZINC000014155904 555714665 /nfs/dbraw/zinc/71/46/65/555714665.db2.gz IFWFPJHMZFENRQ-UHFFFAOYSA-N 0 0 489.062 5.588 40 0 JKABRN CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000014155819 555714689 /nfs/dbraw/zinc/71/46/89/555714689.db2.gz DKYIHEWEBMCGDQ-UHFFFAOYSA-N 0 0 450.604 5.790 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000010449819 555716223 /nfs/dbraw/zinc/71/62/23/555716223.db2.gz CECOGBHKGYHCDZ-HSZRJFAPSA-N 0 0 496.632 5.982 40 0 JKABRN Cc1c(Cl)cccc1-n1c(=O)c2c([nH]c1=S)sc1c2CCN(Cc2ccccc2)C1 ZINC000014162736 555716770 /nfs/dbraw/zinc/71/67/70/555716770.db2.gz GZBIDZARDVSFFF-UHFFFAOYSA-N 0 0 454.020 5.630 40 0 JKABRN Brc1ccc(Cc2nnc(SCc3ccc(I)cc3)o2)cc1 ZINC000010475618 555719169 /nfs/dbraw/zinc/71/91/69/555719169.db2.gz DOHUZUPTIMHLPI-UHFFFAOYSA-N 0 0 487.160 5.320 40 0 JKABRN O=C(CSc1nnc(Cc2ccc(Br)cc2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000010475636 555719193 /nfs/dbraw/zinc/71/91/93/555719193.db2.gz DCIFMXCLTZQDLA-UHFFFAOYSA-N 0 0 472.286 5.173 40 0 JKABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000020233739 555724913 /nfs/dbraw/zinc/72/49/13/555724913.db2.gz SBGRLCWIZRNCTM-UHFFFAOYSA-N 0 0 483.033 5.017 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000020234527 555726181 /nfs/dbraw/zinc/72/61/81/555726181.db2.gz DUCYPDXUFLPRAX-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN COc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000020234468 555726205 /nfs/dbraw/zinc/72/62/05/555726205.db2.gz DMVKWWYCOJMQLD-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2C)c2ccc(C)cc2C)cc1 ZINC000020235016 555727122 /nfs/dbraw/zinc/72/71/22/555727122.db2.gz PHYWDKWDQDBEMC-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(CSCCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020235115 555727428 /nfs/dbraw/zinc/72/74/28/555727428.db2.gz LKQJCPDGLNTOMA-UHFFFAOYSA-N 0 0 496.698 5.165 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000020235429 555727677 /nfs/dbraw/zinc/72/76/77/555727677.db2.gz CQIWVSUKHWQNEY-UHFFFAOYSA-N 0 0 497.060 5.325 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000020235487 555728005 /nfs/dbraw/zinc/72/80/05/555728005.db2.gz RWBHNTTUAVAWEY-UHFFFAOYSA-N 0 0 497.060 5.325 40 0 JKABRN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020236541 555730212 /nfs/dbraw/zinc/73/02/12/555730212.db2.gz JIBSQEHGHNQXMH-UHFFFAOYSA-N 0 0 493.412 5.453 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1 ZINC000020237260 555731302 /nfs/dbraw/zinc/73/13/02/555731302.db2.gz KZEZDIVOTGPMJW-UHFFFAOYSA-N 0 0 475.703 5.070 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=O)CSCc4ccccc4Br)cc3)sc2c1 ZINC000020238252 555732132 /nfs/dbraw/zinc/73/21/32/555732132.db2.gz ALLCJEIPHZZYTA-UHFFFAOYSA-N 0 0 483.456 6.906 40 0 JKABRN O=C(NCCSCc1cccc(Cl)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000020238867 555732746 /nfs/dbraw/zinc/73/27/46/555732746.db2.gz FPNLLRCEFDNESI-UHFFFAOYSA-N 0 0 462.467 6.949 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(CSc5ccccc5)cc4)cc3)sc2c1 ZINC000020238860 555732803 /nfs/dbraw/zinc/73/28/03/555732803.db2.gz PQVDDQWWTWMUQK-UHFFFAOYSA-N 0 0 466.631 7.816 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000020238992 555733106 /nfs/dbraw/zinc/73/31/06/555733106.db2.gz HWFBDKNHJHOIAE-UHFFFAOYSA-N 0 0 480.655 5.547 40 0 JKABRN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692368 555733129 /nfs/dbraw/zinc/73/31/29/555733129.db2.gz IAJUCVOYQJYEFG-UHFFFAOYSA-N 0 0 477.413 5.327 40 0 JKABRN O=C(Nc1ccc2ccccc2c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692376 555733197 /nfs/dbraw/zinc/73/31/97/555733197.db2.gz WIIQSWYFGQMVTF-UHFFFAOYSA-N 0 0 477.413 5.327 40 0 JKABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692458 555733483 /nfs/dbraw/zinc/73/34/83/555733483.db2.gz CXTSYVATCRHMTJ-UHFFFAOYSA-N 0 0 496.243 5.481 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)c2ccc(C)cc2)cc1 ZINC000020239519 555733657 /nfs/dbraw/zinc/73/36/57/555733657.db2.gz WDFFQGCCCHOSBS-UHFFFAOYSA-N 0 0 492.519 5.247 40 0 JKABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692804 555733719 /nfs/dbraw/zinc/73/37/19/555733719.db2.gz VCCVZHKSPOSRQL-UHFFFAOYSA-N 0 0 496.243 5.481 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693363 555733739 /nfs/dbraw/zinc/73/37/39/555733739.db2.gz QSIAOAVCDUVTMO-UHFFFAOYSA-N 0 0 475.825 5.136 40 0 JKABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 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459.527 5.010 40 0 JKABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000014270710 555763662 /nfs/dbraw/zinc/76/36/62/555763662.db2.gz WHZMUTRTTFJREF-MDWZMJQESA-N 0 0 457.555 5.647 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(-c4ccc(Cl)cc4)o3)nc2c(C)c1 ZINC000014270841 555763817 /nfs/dbraw/zinc/76/38/17/555763817.db2.gz PPRGAUSCAVPJNT-CSKARUKUSA-N 0 0 468.003 6.353 40 0 JKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)c1 ZINC000014270858 555764156 /nfs/dbraw/zinc/76/41/56/555764156.db2.gz VRTYCGVUONMTCW-UHFFFAOYSA-N 0 0 470.381 6.545 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)c(Cl)c1 ZINC000014270895 555764167 /nfs/dbraw/zinc/76/41/67/555764167.db2.gz VBTVHCQGDZSNHO-UHFFFAOYSA-N 0 0 471.969 6.737 40 0 JKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)ccc3o2)c1 ZINC000014270880 555764179 /nfs/dbraw/zinc/76/41/79/555764179.db2.gz NINOPZXOJFRJDI-KPKJPENVSA-N 0 0 469.610 6.761 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)C=Cc1ccc(C(C)C)cc1 ZINC000014270984 555764319 /nfs/dbraw/zinc/76/43/19/555764319.db2.gz WNXUFILQVFWZHG-AWNIVKPZSA-N 0 0 473.577 5.518 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000014270928 555764369 /nfs/dbraw/zinc/76/43/69/555764369.db2.gz WORNVYMQNSJXFF-UHFFFAOYSA-N 0 0 457.603 5.542 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 ZINC000014270926 555764413 /nfs/dbraw/zinc/76/44/13/555764413.db2.gz JSHNFNBTVFTDHR-UHFFFAOYSA-N 0 0 473.602 5.205 40 0 JKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1Cl ZINC000014271154 555765265 /nfs/dbraw/zinc/76/52/65/555765265.db2.gz OVBVTSCWBWHDLP-UHFFFAOYSA-N 0 0 468.587 5.545 40 0 JKABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014271157 555765268 /nfs/dbraw/zinc/76/52/68/555765268.db2.gz JXCGHKCUGCDCBB-UHFFFAOYSA-N 0 0 470.175 6.143 40 0 JKABRN COc1cc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)ccc1NC(=O)C(C)C ZINC000014271206 555765472 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CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)c(C)c1 ZINC000014272798 555770987 /nfs/dbraw/zinc/77/09/87/555770987.db2.gz CHKLXLFDBZDIIQ-UHFFFAOYSA-N 0 0 469.633 6.433 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4C)cc3n2)c(C)c1 ZINC000014272823 555771085 /nfs/dbraw/zinc/77/10/85/555771085.db2.gz SXPJUTYFSAHNSY-UHFFFAOYSA-N 0 0 471.605 5.518 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4C)cc3n2)c(C)c1 ZINC000014272819 555771119 /nfs/dbraw/zinc/77/11/19/555771119.db2.gz ROEFTICXAJEJGB-UHFFFAOYSA-N 0 0 457.578 5.209 40 0 JKABRN CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)c1 ZINC000014272833 555771457 /nfs/dbraw/zinc/77/14/57/555771457.db2.gz UQXPAOKTOKGXMJ-UHFFFAOYSA-N 0 0 471.605 5.925 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)c(C)c1 ZINC000014272830 555771472 /nfs/dbraw/zinc/77/14/72/555771472.db2.gz QXHAJWXCCVXOKT-UHFFFAOYSA-N 0 0 471.605 5.923 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc(Cl)c(Cl)cc1Cl 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HTPCRIQOEKFYLC-UHFFFAOYSA-N 0 0 459.771 6.117 40 0 JKABRN CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000014273162 555772473 /nfs/dbraw/zinc/77/24/73/555772473.db2.gz MMQVZEVANPHBSU-DHZHZOJOSA-N 0 0 455.385 7.142 40 0 JKABRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)C(c1ccccc1)c1ccccc1 ZINC000014273202 555772482 /nfs/dbraw/zinc/77/24/82/555772482.db2.gz IHZZWSJVBKYERV-UHFFFAOYSA-N 0 0 465.936 6.884 40 0 JKABRN CCC(=O)N1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000014273402 555773052 /nfs/dbraw/zinc/77/30/52/555773052.db2.gz HKRDQCIVQPQCJA-UHFFFAOYSA-N 0 0 461.993 5.169 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1Cl ZINC000014273351 555773057 /nfs/dbraw/zinc/77/30/57/555773057.db2.gz YBVKCLZAKATOFP-UHFFFAOYSA-N 0 0 461.798 5.320 40 0 JKABRN O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccc2ccccc21 ZINC000014273373 555773093 /nfs/dbraw/zinc/77/30/93/555773093.db2.gz KYIFFYYSVBIZNM-UHFFFAOYSA-N 0 0 469.972 5.708 40 0 JKABRN C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC ZINC000011330961 555773127 /nfs/dbraw/zinc/77/31/27/555773127.db2.gz CPLSZXAULIDMML-OVCLIPMQSA-N 0 0 461.743 5.530 40 0 JKABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CC1 ZINC000014273433 555773324 /nfs/dbraw/zinc/77/33/24/555773324.db2.gz AJZSLRBCECKPDO-UHFFFAOYSA-N 0 0 472.372 5.564 40 0 JKABRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 ZINC000014273520 555773618 /nfs/dbraw/zinc/77/36/18/555773618.db2.gz BLCJUIDMACBPCH-UHFFFAOYSA-N 0 0 458.345 5.174 40 0 JKABRN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000014273625 555773897 /nfs/dbraw/zinc/77/38/97/555773897.db2.gz FOFCNASETHZYFB-UHFFFAOYSA-N 0 0 470.400 5.333 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3cccc(Cl)c3)cc2)cc1 ZINC000020328207 555774198 /nfs/dbraw/zinc/77/41/98/555774198.db2.gz LHKYPPLBMMIRKE-HSZRJFAPSA-N 0 0 488.993 5.336 40 0 JKABRN C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000014273692 555774242 /nfs/dbraw/zinc/77/42/42/555774242.db2.gz BSBUZDALVGQASK-VOGRQWBCSA-N 0 0 455.385 7.284 40 0 JKABRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2Cl)CC1 ZINC000014273689 555774255 /nfs/dbraw/zinc/77/42/55/555774255.db2.gz NQQFFHHIIMXGMG-UHFFFAOYSA-N 0 0 463.792 7.395 40 0 JKABRN O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1cccc2c(Cl)cccc12 ZINC000014273774 555774486 /nfs/dbraw/zinc/77/44/86/555774486.db2.gz HCGSQIHHIQPFGW-UHFFFAOYSA-N 0 0 499.892 5.026 40 0 JKABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000014273810 555774843 /nfs/dbraw/zinc/77/48/43/555774843.db2.gz YPVSPZXFIHZLIH-UHFFFAOYSA-N 0 0 483.376 6.202 40 0 JKABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 ZINC000014273950 555775097 /nfs/dbraw/zinc/77/50/97/555775097.db2.gz MPNRCRNGXIDWAC-UHFFFAOYSA-N 0 0 486.593 5.930 40 0 JKABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)c(C)c3)nn12 ZINC000014273974 555775363 /nfs/dbraw/zinc/77/53/63/555775363.db2.gz ISLQCYZNDWWFNY-UHFFFAOYSA-N 0 0 478.647 5.148 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000014274011 555775377 /nfs/dbraw/zinc/77/53/77/555775377.db2.gz MSQHRKFGIPJUBQ-JLHYYAGUSA-N 0 0 475.957 5.865 40 0 JKABRN Cc1cc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)c3)oc2c(C)c1 ZINC000014274079 555775605 /nfs/dbraw/zinc/77/56/05/555775605.db2.gz SPXIOKYTYAOMTG-UHFFFAOYSA-N 0 0 493.972 5.663 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000014274200 555775941 /nfs/dbraw/zinc/77/59/41/555775941.db2.gz NEACCTPTJHMYAB-UHFFFAOYSA-N 0 0 475.595 5.525 40 0 JKABRN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000014274116 555775966 /nfs/dbraw/zinc/77/59/66/555775966.db2.gz VKBPFQFJCHGULM-UHFFFAOYSA-N 0 0 497.831 7.037 40 0 JKABRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000014274158 555775992 /nfs/dbraw/zinc/77/59/92/555775992.db2.gz XCWLODDHHMOWPS-UHFFFAOYSA-N 0 0 495.560 5.906 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000014274150 555775995 /nfs/dbraw/zinc/77/59/95/555775995.db2.gz JZMWZNYEIPPDKW-UHFFFAOYSA-N 0 0 479.561 6.201 40 0 JKABRN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(OCc5ccccc5)c4)ccc3o2)c1 ZINC000014274272 555776119 /nfs/dbraw/zinc/77/61/19/555776119.db2.gz RCBXGOMDTWAUEZ-UHFFFAOYSA-N 0 0 493.588 6.509 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C(C)C)cc1 ZINC000014274308 555776242 /nfs/dbraw/zinc/77/62/42/555776242.db2.gz XHCPGFQWJBWHRA-UHFFFAOYSA-N 0 0 486.229 5.470 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccc2c(Cl)cccc12 ZINC000014274636 555777309 /nfs/dbraw/zinc/77/73/09/555777309.db2.gz WZRUCQHDEHKIOG-UHFFFAOYSA-N 0 0 473.941 6.134 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cccc2c(Cl)cccc12 ZINC000014274618 555777329 /nfs/dbraw/zinc/77/73/29/555777329.db2.gz NCXPURWSMYWQPT-UHFFFAOYSA-N 0 0 492.387 7.082 40 0 JKABRN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 ZINC000014274620 555777365 /nfs/dbraw/zinc/77/73/65/555777365.db2.gz NRNOLWNNEAHMSI-UHFFFAOYSA-N 0 0 485.996 6.991 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)nc2c1 ZINC000020342421 555777565 /nfs/dbraw/zinc/77/75/65/555777565.db2.gz AVCBTJPOFCUVSR-LJQANCHMSA-N 0 0 450.538 7.179 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)nc2c1 ZINC000020342427 555777592 /nfs/dbraw/zinc/77/75/92/555777592.db2.gz XXVDIDXZUMLMCN-MRXNPFEDSA-N 0 0 450.991 7.393 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000014274810 555777914 /nfs/dbraw/zinc/77/79/14/555777914.db2.gz MUMGVCLKXONEKX-UHFFFAOYSA-N 0 0 491.410 5.990 40 0 JKABRN COc1c(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc2ccccc2c1Br ZINC000014274837 555778135 /nfs/dbraw/zinc/77/81/35/555778135.db2.gz BXJYVTNEAOUILW-UHFFFAOYSA-N 0 0 483.309 5.757 40 0 JKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c(F)c1F ZINC000014274867 555778201 /nfs/dbraw/zinc/77/82/01/555778201.db2.gz TVELYXDEKWCYAM-UHFFFAOYSA-N 0 0 489.450 5.495 40 0 JKABRN COc1ccc(OC)c(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000014274945 555778682 /nfs/dbraw/zinc/77/86/82/555778682.db2.gz ONOOBGPXEMTIDP-VMPITWQZSA-N 0 0 477.369 5.797 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(Br)cc1 ZINC000014274996 555778982 /nfs/dbraw/zinc/77/89/82/555778982.db2.gz MJORGCZGDSVAAI-SOFGYWHQSA-N 0 0 496.213 6.542 40 0 JKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)cc3O)nc2c1 ZINC000014275082 555779388 /nfs/dbraw/zinc/77/93/88/555779388.db2.gz XEIMJYPULGFXOT-UHFFFAOYSA-N 0 0 475.570 5.677 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)cc1 ZINC000014275098 555779441 /nfs/dbraw/zinc/77/94/41/555779441.db2.gz UIIOXAVBCHMPQW-LFYBBSHMSA-N 0 0 492.000 6.504 40 0 JKABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)cc3O)oc2c(C)c1 ZINC000014275063 555779449 /nfs/dbraw/zinc/77/94/49/555779449.db2.gz WYPZVPWWYJJKRG-UHFFFAOYSA-N 0 0 493.588 6.611 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1Cl ZINC000014275145 555779684 /nfs/dbraw/zinc/77/96/84/555779684.db2.gz POARTVFJVZVLLN-UHFFFAOYSA-N 0 0 481.961 5.606 40 0 JKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)ccc3O)oc2c(C)c1 ZINC000014275161 555779722 /nfs/dbraw/zinc/77/97/22/555779722.db2.gz LUUBLEQHHVEKQX-BJMVGYQFSA-N 0 0 477.973 5.997 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000014275149 555779750 /nfs/dbraw/zinc/77/97/50/555779750.db2.gz WONWJZUCLBDLEI-UHFFFAOYSA-N 0 0 475.570 5.733 40 0 JKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)ccc3O)nc2c1 ZINC000014275189 555780110 /nfs/dbraw/zinc/78/01/10/555780110.db2.gz AXYGYYFJHCKPCX-UHFFFAOYSA-N 0 0 489.597 5.924 40 0 JKABRN O=C(/C=C/c1ccco1)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000014275337 555780319 /nfs/dbraw/zinc/78/03/19/555780319.db2.gz JRFVJANQDGLUSO-BQYQJAHWSA-N 0 0 474.394 6.390 40 0 JKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccccc1Br ZINC000014275355 555780404 /nfs/dbraw/zinc/78/04/04/555780404.db2.gz QKZNKXZVSXWINN-UHFFFAOYSA-N 0 0 482.428 6.161 40 0 JKABRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc(F)c1 ZINC000014275345 555780421 /nfs/dbraw/zinc/78/04/21/555780421.db2.gz PTGJCVJCVCKVJT-UHFFFAOYSA-N 0 0 476.385 6.536 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(CN2CCOCC2)cc1 ZINC000020352799 555780577 /nfs/dbraw/zinc/78/05/77/555780577.db2.gz DEDQFQWVPQEOGC-JXMROGBWSA-N 0 0 457.357 5.738 40 0 JKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1 ZINC000014275430 555780612 /nfs/dbraw/zinc/78/06/12/555780612.db2.gz JTHPXPHJJOSDIA-UHFFFAOYSA-N 0 0 479.005 6.045 40 0 JKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(Br)c1 ZINC000014275419 555780630 /nfs/dbraw/zinc/78/06/30/555780630.db2.gz LVOAZRALXVKPBZ-UHFFFAOYSA-N 0 0 485.794 5.773 40 0 JKABRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000014275406 555780651 /nfs/dbraw/zinc/78/06/51/555780651.db2.gz XEGYRHDGJAJPAN-UHFFFAOYSA-N 0 0 492.604 6.244 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000014275382 555780656 /nfs/dbraw/zinc/78/06/56/555780656.db2.gz VWCVVFHBUAXWFH-UHFFFAOYSA-N 0 0 481.986 5.515 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(OC)cc4)cc3)nc2c1 ZINC000014275498 555780794 /nfs/dbraw/zinc/78/07/94/555780794.db2.gz FWTVQIZKDGAUFN-ULUBDBHXSA-N 0 0 485.609 6.543 40 0 JKABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000014275526 555780843 /nfs/dbraw/zinc/78/08/43/555780843.db2.gz DOCIRBWIWWKRQX-UHFFFAOYSA-N 0 0 475.570 5.665 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4Cl)cc3)nc2c1 ZINC000020353230 555780862 /nfs/dbraw/zinc/78/08/62/555780862.db2.gz NITFEQJCOASCGN-INIZCTEOSA-N 0 0 478.017 7.097 40 0 JKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000014275470 555780913 /nfs/dbraw/zinc/78/09/13/555780913.db2.gz KMLUCVFCYXVFBK-UHFFFAOYSA-N 0 0 494.576 5.904 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)ccc3Cl)oc2c1 ZINC000014275477 555780916 /nfs/dbraw/zinc/78/09/16/555780916.db2.gz KPBKADNUZVMQAK-UHFFFAOYSA-N 0 0 494.016 6.618 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)cc3)nc2c1 ZINC000020353296 555780966 /nfs/dbraw/zinc/78/09/66/555780966.db2.gz WWSRAJNEJFFQSO-GOSISDBHSA-N 0 0 487.625 6.922 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1Cl ZINC000014275561 555781138 /nfs/dbraw/zinc/78/11/38/555781138.db2.gz QVXCKJYTKXFRMR-UHFFFAOYSA-N 0 0 479.989 6.291 40 0 JKABRN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000020353406 555781211 /nfs/dbraw/zinc/78/12/11/555781211.db2.gz POLCMJJNZYJBTA-UHFFFAOYSA-N 0 0 480.442 5.167 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc2c1 ZINC000020353322 555781228 /nfs/dbraw/zinc/78/12/28/555781228.db2.gz YSJULTZMABXMIB-SFHVURJKSA-N 0 0 485.653 7.433 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nc4c(ccc(Cl)c4Cl)s3)o2)cc1Cl ZINC000014275635 555781520 /nfs/dbraw/zinc/78/15/20/555781520.db2.gz DIMRBJRILXNSOU-UHFFFAOYSA-N 0 0 496.828 6.952 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000014275764 555781685 /nfs/dbraw/zinc/78/16/85/555781685.db2.gz UMIKRJRFAHMHLQ-UHFFFAOYSA-N 0 0 484.412 5.725 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 ZINC000014275812 555781727 /nfs/dbraw/zinc/78/17/27/555781727.db2.gz LXGOPABKUMDHNE-UHFFFAOYSA-N 0 0 487.629 5.768 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000014275791 555781768 /nfs/dbraw/zinc/78/17/68/555781768.db2.gz UWDSCQKDKCVORP-XNTDXEJSSA-N 0 0 483.641 5.941 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 ZINC000014275868 555781994 /nfs/dbraw/zinc/78/19/94/555781994.db2.gz KCRWETJAWJNUPP-UHFFFAOYSA-N 0 0 477.565 5.174 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1OC ZINC000014275886 555782030 /nfs/dbraw/zinc/78/20/30/555782030.db2.gz XCOFYZHNALWEBW-UHFFFAOYSA-N 0 0 497.580 5.026 40 0 JKABRN O=C(NC(=S)Nc1ccc(I)cc1F)c1cccc2c(Cl)cccc12 ZINC000014275924 555782344 /nfs/dbraw/zinc/78/23/44/555782344.db2.gz SREOSLCXRZMEQF-UHFFFAOYSA-N 0 0 484.721 5.364 40 0 JKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000014275903 555782371 /nfs/dbraw/zinc/78/23/71/555782371.db2.gz MTHUMKOSHBFNTR-UHFFFAOYSA-N 0 0 479.993 5.236 40 0 JKABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000011457566 555782408 /nfs/dbraw/zinc/78/24/08/555782408.db2.gz KUGYOUZMRJEXIV-UHFFFAOYSA-N 0 0 473.916 5.309 40 0 JKABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1cc(Br)ccc1Cl ZINC000014275997 555782517 /nfs/dbraw/zinc/78/25/17/555782517.db2.gz MUWGAKLMOHJQNR-UHFFFAOYSA-N 0 0 483.012 5.645 40 0 JKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 ZINC000014275980 555782535 /nfs/dbraw/zinc/78/25/35/555782535.db2.gz DPFMJPGPJWLHGT-UHFFFAOYSA-N 0 0 476.429 6.535 40 0 JKABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000014275991 555782545 /nfs/dbraw/zinc/78/25/45/555782545.db2.gz RBGVUFMVQNPPFC-UHFFFAOYSA-N 0 0 481.721 5.565 40 0 JKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014275995 555782574 /nfs/dbraw/zinc/78/25/74/555782574.db2.gz SSRCZUUAVMLSAH-UHFFFAOYSA-N 0 0 493.721 7.052 40 0 JKABRN O=C(Nc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1)c1cc2ccccc2o1 ZINC000014276155 555782835 /nfs/dbraw/zinc/78/28/35/555782835.db2.gz WZFNAEGCKLMXAP-UHFFFAOYSA-N 0 0 484.364 6.119 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)ccc1NC(=O)c1cccs1 ZINC000014276041 555782869 /nfs/dbraw/zinc/78/28/69/555782869.db2.gz BMLJPKTZRGRYQV-UHFFFAOYSA-N 0 0 483.615 5.171 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000014276140 555782897 /nfs/dbraw/zinc/78/28/97/555782897.db2.gz SCMXTWPSHNYAMF-UHFFFAOYSA-N 0 0 488.396 5.310 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccccc1Cl ZINC000014276074 555782903 /nfs/dbraw/zinc/78/29/03/555782903.db2.gz YJSVDVHMZQHFAX-UHFFFAOYSA-N 0 0 474.369 5.381 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000014276091 555782925 /nfs/dbraw/zinc/78/29/25/555782925.db2.gz GSSBACRGUOVSHA-UHFFFAOYSA-N 0 0 482.005 5.851 40 0 JKABRN CC1CCN(c2ccccc2NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000014276259 555783075 /nfs/dbraw/zinc/78/30/75/555783075.db2.gz RTBMMQPOFMUZAS-UHFFFAOYSA-N 0 0 478.470 6.571 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)c1 ZINC000014276250 555783087 /nfs/dbraw/zinc/78/30/87/555783087.db2.gz ANLABUKCWGAWCD-UHFFFAOYSA-N 0 0 498.830 5.285 40 0 JKABRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1cc2ccccc2o1 ZINC000014276190 555783093 /nfs/dbraw/zinc/78/30/93/555783093.db2.gz RAHNXKYRPXLJMA-UHFFFAOYSA-N 0 0 491.572 6.479 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl ZINC000014276170 555783112 /nfs/dbraw/zinc/78/31/12/555783112.db2.gz MHSPRMJCWWOBAM-UHFFFAOYSA-N 0 0 493.972 5.864 40 0 JKABRN O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000014276368 555783409 /nfs/dbraw/zinc/78/34/09/555783409.db2.gz NIJDUDHVQZOWJK-DUXPYHPUSA-N 0 0 475.441 6.226 40 0 JKABRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)c(C)c3)nn12 ZINC000014276373 555783446 /nfs/dbraw/zinc/78/34/46/555783446.db2.gz XFCWHMSHSYKETR-UHFFFAOYSA-N 0 0 498.637 5.115 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000014276520 555784034 /nfs/dbraw/zinc/78/40/34/555784034.db2.gz KLKABRBTVRHQBJ-ZDUSSCGKSA-N 0 0 494.082 5.177 40 0 JKABRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(Cl)cc1 ZINC000014277059 555785112 /nfs/dbraw/zinc/78/51/12/555785112.db2.gz UISAJVHLYMOCBD-UHFFFAOYSA-N 0 0 499.467 5.442 40 0 JKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000014277318 555785651 /nfs/dbraw/zinc/78/56/51/555785651.db2.gz TUOFOYHUOKLNQM-MRXNPFEDSA-N 0 0 498.446 6.215 40 0 JKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 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CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CC1 ZINC000014279306 555790780 /nfs/dbraw/zinc/79/07/80/555790780.db2.gz BNGIHLSXYXVZER-UHFFFAOYSA-N 0 0 486.399 5.954 40 0 JKABRN CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000014279272 555790794 /nfs/dbraw/zinc/79/07/94/555790794.db2.gz MIOZZLUUIVIRRT-FMIVXFBMSA-N 0 0 498.410 5.964 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2)CC1 ZINC000014279213 555790807 /nfs/dbraw/zinc/79/08/07/555790807.db2.gz TUCRVDOBRWDAKD-UHFFFAOYSA-N 0 0 496.405 5.266 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc1 ZINC000014279417 555791063 /nfs/dbraw/zinc/79/10/63/555791063.db2.gz PIQVXRNARMZDPA-UHFFFAOYSA-N 0 0 492.019 5.734 40 0 JKABRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1 ZINC000014279433 555791165 /nfs/dbraw/zinc/79/11/65/555791165.db2.gz UBFCXPLNORJITJ-UHFFFAOYSA-N 0 0 492.019 5.407 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014291054 555791870 /nfs/dbraw/zinc/79/18/70/555791870.db2.gz JDMDJMXKULLGFO-UHFFFAOYSA-N 0 0 478.036 6.093 40 0 JKABRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccc2c(Cl)cccc12 ZINC000014291041 555791884 /nfs/dbraw/zinc/79/18/84/555791884.db2.gz VORDLXLCEVALEO-UHFFFAOYSA-N 0 0 490.434 6.721 40 0 JKABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000014291024 555791903 /nfs/dbraw/zinc/79/19/03/555791903.db2.gz OYOISBWNQJFTIS-UHFFFAOYSA-N 0 0 478.763 5.455 40 0 JKABRN O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000014291016 555791960 /nfs/dbraw/zinc/79/19/60/555791960.db2.gz AVNJCAVFGVJGKJ-UHFFFAOYSA-N 0 0 489.959 5.066 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cccc(F)c3)CC2)cc1 ZINC000014291208 555792486 /nfs/dbraw/zinc/79/24/86/555792486.db2.gz LDWXBHVAFJFZDN-UHFFFAOYSA-N 0 0 451.929 5.002 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3)CC2)cc1 ZINC000020528549 555792660 /nfs/dbraw/zinc/79/26/60/555792660.db2.gz BRMDHOIFEHDXRV-UHFFFAOYSA-N 0 0 492.019 5.191 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000020528538 555792674 /nfs/dbraw/zinc/79/26/74/555792674.db2.gz CFXWCXGVYKYAIS-RMKNXTFCSA-N 0 0 482.352 6.072 40 0 JKABRN CCCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000014291222 555792828 /nfs/dbraw/zinc/79/28/28/555792828.db2.gz CFGJCHCYNVBVFG-UHFFFAOYSA-N 0 0 492.019 5.652 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cc(C)cc(C)c3)CC2)cc1 ZINC000014291232 555792845 /nfs/dbraw/zinc/79/28/45/555792845.db2.gz MOFIXCAXMXSBFS-UHFFFAOYSA-N 0 0 461.993 5.480 40 0 JKABRN COc1c(C)cccc1C(=O)Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000014291233 555792861 /nfs/dbraw/zinc/79/28/61/555792861.db2.gz PJABJQXWQWDDLO-UHFFFAOYSA-N 0 0 477.992 5.180 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3ccc(C)c(C)c3)CC2)cc1 ZINC000014291263 555792879 /nfs/dbraw/zinc/79/28/79/555792879.db2.gz YLDLGOUPSGUGHL-UHFFFAOYSA-N 0 0 492.019 5.245 40 0 JKABRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1sc2ccccc2c1Cl ZINC000020528588 555792959 /nfs/dbraw/zinc/79/29/59/555792959.db2.gz XCKMWQDDUXRQSP-UHFFFAOYSA-N 0 0 467.900 5.018 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3cccc(C)c3C)CC2)cc1 ZINC000014291273 555793070 /nfs/dbraw/zinc/79/30/70/555793070.db2.gz KJYVZDJHMFDPDK-UHFFFAOYSA-N 0 0 492.019 5.245 40 0 JKABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000014291305 555793186 /nfs/dbraw/zinc/79/31/86/555793186.db2.gz NFWASDDXMXOFAW-UHFFFAOYSA-N 0 0 471.542 5.001 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1 ZINC000020528786 555793267 /nfs/dbraw/zinc/79/32/67/555793267.db2.gz PWACKCOKJJFXPD-HXUWFJFHSA-N 0 0 486.056 5.566 40 0 JKABRN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 ZINC000020528994 555793710 /nfs/dbraw/zinc/79/37/10/555793710.db2.gz SBSNZTNFERPBAE-LFIBNONCSA-N 0 0 469.585 5.090 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000020529078 555794125 /nfs/dbraw/zinc/79/41/25/555794125.db2.gz LORFKRDDPJHYCU-UHFFFAOYSA-N 0 0 468.812 5.594 40 0 JKABRN NS(=O)(=O)c1ccc(N2N=C(c3ccc(-c4ccccc4)cc3)C[C@H]2c2ccccc2)cc1 ZINC000020530400 555797475 /nfs/dbraw/zinc/79/74/75/555797475.db2.gz YMLOKFPUSMNSFE-MHZLTWQESA-N 0 0 453.567 5.357 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(-c2ccccc2)s1 ZINC000020530427 555797522 /nfs/dbraw/zinc/79/75/22/555797522.db2.gz PKQAAWRAAGKMKP-UHFFFAOYSA-N 0 0 468.603 7.468 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(NC(=O)c2ccccc2)c(Br)c1 ZINC000020530420 555797526 /nfs/dbraw/zinc/79/75/26/555797526.db2.gz KTQIAMBXUFLDHE-DTQAZKPQSA-N 0 0 487.353 6.613 40 0 JKABRN O=C(c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000011692851 555801587 /nfs/dbraw/zinc/80/15/87/555801587.db2.gz BKHVCYWSAVRDQA-UONOGXRCSA-N 0 0 462.855 5.040 40 0 JKABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000014396208 555801893 /nfs/dbraw/zinc/80/18/93/555801893.db2.gz JAYHGOITLCMPRK-UHFFFAOYSA-N 0 0 454.617 5.326 40 0 JKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000014396217 555801951 /nfs/dbraw/zinc/80/19/51/555801951.db2.gz ZQSDNBQNZHMAIO-UHFFFAOYSA-N 0 0 478.492 5.141 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)CCCN(c3cc(C)ccc3C)S(C)(=O)=O)ccc21 ZINC000014397020 555802882 /nfs/dbraw/zinc/80/28/82/555802882.db2.gz GRJKQKVQKWLPNK-UHFFFAOYSA-N 0 0 477.630 5.616 40 0 JKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000014398556 555804134 /nfs/dbraw/zinc/80/41/34/555804134.db2.gz CLTDVJUVUDGSBP-QGZVFWFLSA-N 0 0 470.566 5.330 40 0 JKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000014398560 555804189 /nfs/dbraw/zinc/80/41/89/555804189.db2.gz CLTDVJUVUDGSBP-KRWDZBQOSA-N 0 0 470.566 5.330 40 0 JKABRN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C ZINC000014398311 555804258 /nfs/dbraw/zinc/80/42/58/555804258.db2.gz ILVARUZAJHAPQS-UHFFFAOYSA-N 0 0 458.967 5.084 40 0 JKABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000014399399 555804983 /nfs/dbraw/zinc/80/49/83/555804983.db2.gz SXYTVAKNOVUZBT-AWEZNQCLSA-N 0 0 495.384 5.209 40 0 JKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=S)NCCNc1cccc2ccccc21 ZINC000020534015 555805835 /nfs/dbraw/zinc/80/58/35/555805835.db2.gz HCWRPSPYDRMXJF-UHFFFAOYSA-N 0 0 451.901 5.480 40 0 JKABRN c1ccc(SC(Sc2ccccn2)=C(Sc2ccccn2)Sc2ccccn2)nc1 ZINC000020534470 555806162 /nfs/dbraw/zinc/80/61/62/555806162.db2.gz JTRLYCBIKLKFHQ-UHFFFAOYSA-N 0 0 464.666 6.862 40 0 JKABRN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000014400713 555806219 /nfs/dbraw/zinc/80/62/19/555806219.db2.gz HZFYGZXZCYDTRB-UHFFFAOYSA-N 0 0 488.993 5.256 40 0 JKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000014401787 555806764 /nfs/dbraw/zinc/80/67/64/555806764.db2.gz MOHVZCILBGTIMX-SFHVURJKSA-N 0 0 452.576 5.191 40 0 JKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000014401311 555806782 /nfs/dbraw/zinc/80/67/82/555806782.db2.gz GZAMDDQAUFPVGY-MRXNPFEDSA-N 0 0 478.492 5.221 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)N1CCC(C)CC1 ZINC000014401325 555806795 /nfs/dbraw/zinc/80/67/95/555806795.db2.gz KAWOENIKPQFEDI-UHFFFAOYSA-N 0 0 490.931 5.040 40 0 JKABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl ZINC000014401358 555806870 /nfs/dbraw/zinc/80/68/70/555806870.db2.gz DMJDWJCDVPZVCP-UHFFFAOYSA-N 0 0 451.375 5.332 40 0 JKABRN Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1OC(=O)c1ccccc1 ZINC000014404774 555807145 /nfs/dbraw/zinc/80/71/45/555807145.db2.gz JIQXWFRWEGDVNC-WUKNDPDISA-N 0 0 480.524 5.150 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cc2)cc1OCC ZINC000014404851 555807473 /nfs/dbraw/zinc/80/74/73/555807473.db2.gz XZHLEOPTMAXHIZ-UHFFFAOYSA-N 0 0 498.583 5.791 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc(OCC)c(OCC)c3)cc2)c1C ZINC000014405282 555807608 /nfs/dbraw/zinc/80/76/08/555807608.db2.gz OIYRISWIOMEWSS-UHFFFAOYSA-N 0 0 478.593 5.602 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000014405044 555807678 /nfs/dbraw/zinc/80/76/78/555807678.db2.gz GHHXKUXJJVRZEJ-DTQAZKPQSA-N 0 0 470.960 6.047 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)c1C ZINC000014405293 555807684 /nfs/dbraw/zinc/80/76/84/555807684.db2.gz YUPHRHVSFYTRDR-UHFFFAOYSA-N 0 0 454.574 5.887 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)C(Cl)(Cl)Cl ZINC000014405198 555807696 /nfs/dbraw/zinc/80/76/96/555807696.db2.gz DTCQBDJRWQCQKT-UHFFFAOYSA-N 0 0 451.741 5.050 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1C ZINC000014405554 555807977 /nfs/dbraw/zinc/80/79/77/555807977.db2.gz UEAKXRRWAXVHKV-UHFFFAOYSA-N 0 0 459.377 6.111 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cc(Cl)ccc2OC)c1C ZINC000014405534 555808011 /nfs/dbraw/zinc/80/80/11/555808011.db2.gz NQLCXUKBTPJZDU-UHFFFAOYSA-N 0 0 454.958 5.467 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)c1C ZINC000014405627 555808255 /nfs/dbraw/zinc/80/82/55/555808255.db2.gz ZUPYMZYWECHFJZ-NTCAYCPXSA-N 0 0 450.970 5.858 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000014410737 555809811 /nfs/dbraw/zinc/80/98/11/555809811.db2.gz MUSUOSSXCJUWFM-UHFFFAOYSA-N 0 0 471.022 5.990 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2cccc(C)c2C)cc1 ZINC000014411584 555810573 /nfs/dbraw/zinc/81/05/73/555810573.db2.gz FGJNPEFTEARRCK-UHFFFAOYSA-N 0 0 476.520 5.465 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000014411439 555810656 /nfs/dbraw/zinc/81/06/56/555810656.db2.gz VNDGZFUNTSRICL-UHFFFAOYSA-N 0 0 491.440 6.170 40 0 JKABRN CSc1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000014411760 555810832 /nfs/dbraw/zinc/81/08/32/555810832.db2.gz NXSLHJNNKQYHON-UHFFFAOYSA-N 0 0 481.426 5.549 40 0 JKABRN O=C(Nc1ccc(Br)cc1F)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000014411878 555810896 /nfs/dbraw/zinc/81/08/96/555810896.db2.gz DRRRARZBJUXPET-UHFFFAOYSA-N 0 0 450.760 6.786 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccc(C)cc2C)cc1 ZINC000014412025 555811194 /nfs/dbraw/zinc/81/11/94/555811194.db2.gz QGIUZQIWDQIVJA-UHFFFAOYSA-N 0 0 477.413 5.753 40 0 JKABRN Cc1cc(C)cc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000014412531 555811682 /nfs/dbraw/zinc/81/16/82/555811682.db2.gz INWFBGVVULNIPH-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000014413506 555812604 /nfs/dbraw/zinc/81/26/04/555812604.db2.gz CQAYWHHGYGULDP-UHFFFAOYSA-N 0 0 479.385 5.226 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000014414907 555813911 /nfs/dbraw/zinc/81/39/11/555813911.db2.gz LVLMXXGUBGUDDL-UHFFFAOYSA-N 0 0 497.488 5.512 40 0 JKABRN CCC[C@H](C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014414933 555813922 /nfs/dbraw/zinc/81/39/22/555813922.db2.gz PYOGBWTVZPMQLZ-SFHVURJKSA-N 0 0 485.477 5.414 40 0 JKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccccc2I)cc1OCC ZINC000014429629 555814214 /nfs/dbraw/zinc/81/42/14/555814214.db2.gz QFDBFQYJXVONSD-UHFFFAOYSA-N 0 0 459.711 5.384 40 0 JKABRN CCc1cccc(C)c1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014428033 555814225 /nfs/dbraw/zinc/81/42/25/555814225.db2.gz SIQCHCRJRRLSLC-UHFFFAOYSA-N 0 0 456.995 5.040 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)cc1 ZINC000020571381 555823598 /nfs/dbraw/zinc/82/35/98/555823598.db2.gz SWCGQJJOMHFKGX-UHFFFAOYSA-N 0 0 458.539 5.840 40 0 JKABRN CCOC(=O)c1c(C)c(C(=O)CC)sc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000020572809 555824586 /nfs/dbraw/zinc/82/45/86/555824586.db2.gz WEPFYNRZGNEOIO-UHFFFAOYSA-N 0 0 481.357 6.040 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(O[C@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@@H](O)c1ccccc1F ZINC000011852563 555835680 /nfs/dbraw/zinc/83/56/80/555835680.db2.gz BTMZUQIPLOYBMO-VCKVIUPDSA-N 0 0 482.617 7.965 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](O)c1cccnc1 ZINC000011852558 555835759 /nfs/dbraw/zinc/83/57/59/555835759.db2.gz QZJIDEFRERTWOZ-UJZQCXRDSA-N 0 0 465.615 7.220 40 0 JKABRN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccccc32)cc1 ZINC000014607257 555835924 /nfs/dbraw/zinc/83/59/24/555835924.db2.gz HLOJMIJUOUAVTF-LVXARBLLSA-N 0 0 486.593 5.964 40 0 JKABRN C[C@H]1C[C@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000014607249 555835978 /nfs/dbraw/zinc/83/59/78/555835978.db2.gz BHBDWYPJWSZZNQ-DWACAAAGSA-N 0 0 482.605 6.062 40 0 JKABRN CCCC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@H]1C ZINC000014607267 555835996 /nfs/dbraw/zinc/83/59/96/555835996.db2.gz BQLHZAUSXFWMBE-QFQXNSOFSA-N 0 0 462.615 5.857 40 0 JKABRN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C[C@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 ZINC000014607270 555836131 /nfs/dbraw/zinc/83/61/31/555836131.db2.gz CDLDUTSPDXFZBO-HFZDXXHNSA-N 0 0 462.615 5.713 40 0 JKABRN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000014608048 555836502 /nfs/dbraw/zinc/83/65/02/555836502.db2.gz YRZRSPDCSFWSNN-HSZRJFAPSA-N 0 0 462.937 6.099 40 0 JKABRN CCC1=Nc2ccccc2N=C(NC(=O)c2cccc(OC)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000014608117 555836533 /nfs/dbraw/zinc/83/65/33/555836533.db2.gz FSKRVCJBVABHBI-RUZDIDTESA-N 0 0 457.530 5.452 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c(C)c1 ZINC000014665254 555837220 /nfs/dbraw/zinc/83/72/20/555837220.db2.gz OUMTYNRZSKITFQ-HXUWFJFHSA-N 0 0 480.630 5.808 40 0 JKABRN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000014671822 555837494 /nfs/dbraw/zinc/83/74/94/555837494.db2.gz RKRATZWVFJUNGS-NPMABZOXSA-N 0 0 461.414 5.867 40 0 JKABRN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@]31SCC(=O)N1c1ccc(O)cc1 ZINC000014671868 555837787 /nfs/dbraw/zinc/83/77/87/555837787.db2.gz GDTWYWKABYJCNE-VSGBNLITSA-N 0 0 470.594 5.160 40 0 JKABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000011859579 555838856 /nfs/dbraw/zinc/83/88/56/555838856.db2.gz SCDMWIVARPGQQM-FSSWDIPSSA-N 0 0 497.776 5.462 40 0 JKABRN CCCCC(=O)O[C@@H]1CC[C@H]2[C@H]3CCc4cc(OCc5ccccc5F)ccc4[C@@H]3CC[C@]12C ZINC000011865801 555841151 /nfs/dbraw/zinc/84/11/51/555841151.db2.gz RWTHRPPTMAZWBT-BWSLQLBASA-N 0 0 464.621 7.363 40 0 JKABRN C[C@@]1(C(=O)c2ccc(F)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)Oc1ccc(Br)cc1 ZINC000014944498 555841423 /nfs/dbraw/zinc/84/14/23/555841423.db2.gz FOCHYBGYINZYKW-OPXMRZJTSA-N 0 0 495.300 5.086 40 0 JKABRN CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)c1cc2ccccc2oc1=O ZINC000014944526 555841544 /nfs/dbraw/zinc/84/15/44/555841544.db2.gz SIEKDDPHAWVLRJ-OIFPXGRLSA-N 0 0 498.918 5.611 40 0 JKABRN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)c1C ZINC000021577693 555851570 /nfs/dbraw/zinc/85/15/70/555851570.db2.gz SKVVOMSFKUTMSH-UHFFFAOYSA-N 0 0 483.568 5.030 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 ZINC000021578966 555851855 /nfs/dbraw/zinc/85/18/55/555851855.db2.gz QYCVJKBHZUIOGQ-UHFFFAOYSA-N 0 0 473.598 6.336 40 0 JKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1C ZINC000021578969 555851902 /nfs/dbraw/zinc/85/19/02/555851902.db2.gz NOJLDRKHWUBXCX-UHFFFAOYSA-N 0 0 479.989 6.209 40 0 JKABRN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4cc5ccccc5o4)c3)oc2cc1C ZINC000021579008 555851921 /nfs/dbraw/zinc/85/19/21/555851921.db2.gz SRBVJLYQQLTEFL-UHFFFAOYSA-N 0 0 455.539 6.293 40 0 JKABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000021579697 555852183 /nfs/dbraw/zinc/85/21/83/555852183.db2.gz JBLLQCAXNNMQJN-UHFFFAOYSA-N 0 0 484.383 5.217 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(I)c1 ZINC000021580290 555852236 /nfs/dbraw/zinc/85/22/36/555852236.db2.gz OPAAEMMKXXPJLK-UHFFFAOYSA-N 0 0 469.282 5.095 40 0 JKABRN CCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)cc2)cc1 ZINC000021579679 555852313 /nfs/dbraw/zinc/85/23/13/555852313.db2.gz IHWRQGGIGCQMCM-UHFFFAOYSA-N 0 0 477.992 5.126 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000021580523 555852351 /nfs/dbraw/zinc/85/23/51/555852351.db2.gz UNZADNRAJYNXEW-UHFFFAOYSA-N 0 0 468.365 7.012 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc2c(Br)cccc12 ZINC000021580564 555852458 /nfs/dbraw/zinc/85/24/58/555852458.db2.gz VEEDWNBQALGCHZ-UHFFFAOYSA-N 0 0 472.342 6.407 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000021580626 555852522 /nfs/dbraw/zinc/85/25/22/555852522.db2.gz FHFMFOWAARJPPN-NTCAYCPXSA-N 0 0 469.928 6.804 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(Br)cc1 ZINC000021580756 555852533 /nfs/dbraw/zinc/85/25/33/555852533.db2.gz CSOXHJVOSUNTEQ-UHFFFAOYSA-N 0 0 452.308 5.019 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000021580689 555852573 /nfs/dbraw/zinc/85/25/73/555852573.db2.gz PBWJENASPNUMBI-UHFFFAOYSA-N 0 0 457.917 6.713 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000021580804 555852991 /nfs/dbraw/zinc/85/29/91/555852991.db2.gz UVOSAEWQCVZSAL-ZDUSSCGKSA-N 0 0 456.329 5.951 40 0 JKABRN Cc1cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc(C)c1I ZINC000021595615 555853316 /nfs/dbraw/zinc/85/33/16/555853316.db2.gz FWJHEJIPWFSTDG-UHFFFAOYSA-N 0 0 486.136 6.727 40 0 JKABRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)cc2s1 ZINC000021595339 555853330 /nfs/dbraw/zinc/85/33/30/555853330.db2.gz FROODYBJEIIBBZ-KPKJPENVSA-N 0 0 452.605 5.295 40 0 JKABRN COc1ccc2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3)nc2c1 ZINC000021595721 555853551 /nfs/dbraw/zinc/85/35/51/555853551.db2.gz DSZQEYHSMQRTJL-UHFFFAOYSA-N 0 0 481.346 6.062 40 0 JKABRN Cc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 ZINC000021595634 555853626 /nfs/dbraw/zinc/85/36/26/555853626.db2.gz NRHIQRDDVPHFTP-UHFFFAOYSA-N 0 0 467.363 5.806 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000021595860 555853986 /nfs/dbraw/zinc/85/39/86/555853986.db2.gz RZKQXYAWWLKMED-BMRADRMJSA-N 0 0 481.571 6.060 40 0 JKABRN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 ZINC000021595907 555854270 /nfs/dbraw/zinc/85/42/70/555854270.db2.gz HPTKHNKYMHRBQJ-RVDMUPIBSA-N 0 0 482.967 8.184 40 0 JKABRN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5nsnc5c4)cc3O)nc2c1 ZINC000021596089 555854272 /nfs/dbraw/zinc/85/42/72/555854272.db2.gz VGTXZNBEQFWQAB-UHFFFAOYSA-N 0 0 489.582 5.455 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)ccc3o2)cc1 ZINC000021596095 555854293 /nfs/dbraw/zinc/85/42/93/555854293.db2.gz QDSQSSSWSGBYJH-UHFFFAOYSA-N 0 0 465.347 6.362 40 0 JKABRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nn12 ZINC000021595948 555854322 /nfs/dbraw/zinc/85/43/22/555854322.db2.gz CXYLGIHDMROPTO-WYMLVPIESA-N 0 0 455.543 5.636 40 0 JKABRN COc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3/SC(=N)N(C(C)=O)C3=O)cc2c1 ZINC000021596686 555854584 /nfs/dbraw/zinc/85/45/84/555854584.db2.gz MONWNTPLVBABOT-CIOOEQDQSA-N 0 0 469.975 5.446 40 0 JKABRN CSc1nnc2c(n1)O[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Nc1ccccc1-2 ZINC000015015438 555855822 /nfs/dbraw/zinc/85/58/22/555855822.db2.gz PLAVSVIHUPAQDM-OAQYLSRUSA-N 0 0 450.608 6.064 40 0 JKABRN CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(OCC)c(C)c1)Nc1ccccc1-2 ZINC000015015457 555855876 /nfs/dbraw/zinc/85/58/76/555855876.db2.gz SBISXBUPWBROCP-HSZRJFAPSA-N 0 0 450.608 6.421 40 0 JKABRN CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)Nc1ccccc1-2 ZINC000015015577 555856160 /nfs/dbraw/zinc/85/61/60/555856160.db2.gz MHLDYYHAJPUSPA-GOSISDBHSA-N 0 0 477.453 6.538 40 0 JKABRN Oc1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)c1Cl ZINC000015015911 555856543 /nfs/dbraw/zinc/85/65/43/555856543.db2.gz XAQZEDUWUZGIID-NRFANRHFSA-N 0 0 483.380 6.346 40 0 JKABRN COc1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(C)cc4)nc3O2)c(Cl)cc1O ZINC000015015985 555856835 /nfs/dbraw/zinc/85/68/35/555856835.db2.gz SHCIZQKXFHJUED-HSZRJFAPSA-N 0 0 492.988 6.010 40 0 JKABRN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccc(O)c(Cl)c2)Nc2ccccc2-3)cc1 ZINC000015016012 555856838 /nfs/dbraw/zinc/85/68/38/555856838.db2.gz WLEOTTRTGKLUDB-JOCHJYFZSA-N 0 0 462.962 6.001 40 0 JKABRN CCOc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(C)cc4)nc3O2)cc1OC ZINC000015015979 555856929 /nfs/dbraw/zinc/85/69/29/555856929.db2.gz NOCPFIQPEAREDB-RUZDIDTESA-N 0 0 486.597 6.050 40 0 JKABRN COc1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)ccc1O ZINC000015016037 555857085 /nfs/dbraw/zinc/85/70/85/555857085.db2.gz HSFOFYMFDPIKIR-JOCHJYFZSA-N 0 0 478.961 5.702 40 0 JKABRN COc1cc(Cl)cc(/C=C2\C(=O)Nc3c2cc(Br)cc3Br)c1O ZINC000015016461 555857736 /nfs/dbraw/zinc/85/77/36/555857736.db2.gz JGPYWNXQODBJIU-JYOAFUTRSA-N 0 0 459.521 5.072 40 0 JKABRN Cc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc32)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000015017770 555858930 /nfs/dbraw/zinc/85/89/30/555858930.db2.gz AKCCJWJZPSTSQM-XTEPFMGCSA-N 0 0 474.004 5.237 40 0 JKABRN COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(Br)c(C(C)C)cc3-c3[nH]c4ccccc4c3[C@H]12 ZINC000015021826 555863593 /nfs/dbraw/zinc/86/35/93/555863593.db2.gz GEBHRPDLIGCDSK-WYMJOSIYSA-N 0 0 480.446 7.439 40 0 JKABRN COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(Br)c(C(C)C)cc3-c3[nH]c4ccc(F)cc4c3[C@@H]12 ZINC000015021820 555863603 /nfs/dbraw/zinc/86/36/03/555863603.db2.gz IISBECMZSNLIHV-ZRJLEYOISA-N 0 0 498.436 7.578 40 0 JKABRN Cc1ccc(NC(=S)c2c(-c3ccc(F)cc3)c3c4n2cc(-c2ccc(C)cc2)n4CCCC3)cc1 ZINC000015022058 555863709 /nfs/dbraw/zinc/86/37/09/555863709.db2.gz STLZUNCEHDYHGR-UHFFFAOYSA-N 0 0 493.651 7.955 40 0 JKABRN Cc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCC4)c1C ZINC000015022116 555863994 /nfs/dbraw/zinc/86/39/94/555863994.db2.gz HIEPFFXXDPBTDO-UHFFFAOYSA-N 0 0 489.666 5.733 40 0 JKABRN CC(C)(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000015049573 555866430 /nfs/dbraw/zinc/86/64/30/555866430.db2.gz ZCLUNTYSYRZZEZ-WQRHYEAKSA-N 0 0 462.493 5.678 40 0 JKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC ZINC000022053438 555867007 /nfs/dbraw/zinc/86/70/07/555867007.db2.gz WMSUPDZNSRTDRL-UHFFFAOYSA-N 0 0 473.495 5.805 40 0 JKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000022072915 555869904 /nfs/dbraw/zinc/86/99/04/555869904.db2.gz HODQRADDVRWPHX-UHFFFAOYSA-N 0 0 457.330 5.875 40 0 JKABRN CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccc(F)c(Cl)c2)cc1OCC ZINC000022072032 555869915 /nfs/dbraw/zinc/86/99/15/555869915.db2.gz JIGAKHPICTUILI-UHFFFAOYSA-N 0 0 457.933 5.388 40 0 JKABRN CCOc1cc(CNCc2ccco2)cc(Br)c1OCc1ccccc1Cl ZINC000022076335 555871308 /nfs/dbraw/zinc/87/13/08/555871308.db2.gz YWQJVRGVJOJYPQ-UHFFFAOYSA-N 0 0 450.760 5.963 40 0 JKABRN Clc1ccc(OCc2nn3cc(-c4ccc(Br)cc4)c4c3n2CCCC4)c(Cl)c1 ZINC000022079566 555872194 /nfs/dbraw/zinc/87/21/94/555872194.db2.gz KBGDVFYIEKUGQQ-UHFFFAOYSA-N 0 0 491.216 6.787 40 0 JKABRN CCCCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022109682 555876491 /nfs/dbraw/zinc/87/64/91/555876491.db2.gz COUZCWNFSMKMGH-UHFFFAOYSA-N 0 0 470.788 5.633 40 0 JKABRN CCc1n[nH]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022110434 555877505 /nfs/dbraw/zinc/87/75/05/555877505.db2.gz ZQHKNUWEVXKDLD-UHFFFAOYSA-N 0 0 488.238 5.895 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022110583 555877512 /nfs/dbraw/zinc/87/75/12/555877512.db2.gz YBIFJXQXSUPSJJ-UHFFFAOYSA-N 0 0 487.412 6.246 40 0 JKABRN CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(Br)c1OCc1ccccc1F ZINC000022110454 555877533 /nfs/dbraw/zinc/87/75/33/555877533.db2.gz ZPPFBFGUBOUSOJ-UHFFFAOYSA-N 0 0 481.391 5.126 40 0 JKABRN CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022110472 555877546 /nfs/dbraw/zinc/87/75/46/555877546.db2.gz LFWMAMQPNHGIBS-UHFFFAOYSA-N 0 0 453.395 5.531 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000022110605 555877559 /nfs/dbraw/zinc/87/75/59/555877559.db2.gz NDHQHJNSNUISGU-UHFFFAOYSA-N 0 0 482.993 5.601 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000022110576 555877607 /nfs/dbraw/zinc/87/76/07/555877607.db2.gz KJYGSFKFMDOFQP-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000022110708 555877836 /nfs/dbraw/zinc/87/78/36/555877836.db2.gz YREVINOYNMLXJF-UHFFFAOYSA-N 0 0 466.538 5.087 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)ccc1OCc1ccc(Cl)cc1 ZINC000022110753 555878012 /nfs/dbraw/zinc/87/80/12/555878012.db2.gz MHYSEKJMKFMAEY-UHFFFAOYSA-N 0 0 467.982 5.377 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000022110995 555878154 /nfs/dbraw/zinc/87/81/54/555878154.db2.gz FONMSROONLPSLI-UHFFFAOYSA-N 0 0 482.993 5.601 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000022111098 555878254 /nfs/dbraw/zinc/87/82/54/555878254.db2.gz KLBQNJVMGXUFBY-UHFFFAOYSA-N 0 0 470.957 5.731 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022111073 555878281 /nfs/dbraw/zinc/87/82/81/555878281.db2.gz GZNLXSJLTUENDZ-UHFFFAOYSA-N 0 0 487.412 6.246 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000022111186 555878633 /nfs/dbraw/zinc/87/86/33/555878633.db2.gz VVFXFANVALNHQT-UHFFFAOYSA-N 0 0 462.575 5.256 40 0 JKABRN COc1cc(CNn2c(-c3ccncc3)n[nH]c2=S)ccc1OCc1ccc(F)cc1Cl ZINC000022111212 555878685 /nfs/dbraw/zinc/87/86/85/555878685.db2.gz IPZYSWKKLISDCH-UHFFFAOYSA-N 0 0 471.945 5.126 40 0 JKABRN S=c1[nH]ncn1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022111797 555878823 /nfs/dbraw/zinc/87/88/23/555878823.db2.gz PUDAOGBBHNEDGL-UHFFFAOYSA-N 0 0 460.184 5.333 40 0 JKABRN CC(C)(C)C1CCC(OC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 ZINC000015133392 555879447 /nfs/dbraw/zinc/87/94/47/555879447.db2.gz SXVJEJOSTGDIRQ-UHFFFAOYSA-N 0 0 458.396 6.463 40 0 JKABRN CC(C)O[C@H]1CCCC[C@H]1OC(=O)NCCCCCCNC(=O)O[C@@H]1CCCC[C@@H]1OC(C)C ZINC000015133514 555879498 /nfs/dbraw/zinc/87/94/98/555879498.db2.gz ZTDMMRNZJKKLCG-CJRSTVEYSA-N 0 0 484.678 5.472 40 0 JKABRN CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@@]21/C=C/c1ccc(Cl)cc1Cl ZINC000015222446 555885520 /nfs/dbraw/zinc/88/55/20/555885520.db2.gz ZVXCYRYXXOSURT-BTUVCSFDSA-N 0 0 463.408 6.543 40 0 JKABRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000015222587 555885830 /nfs/dbraw/zinc/88/58/30/555885830.db2.gz MJRCEDLKCFAVGE-JZTSUELASA-N 0 0 475.544 5.287 40 0 JKABRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000015223692 555886122 /nfs/dbraw/zinc/88/61/22/555886122.db2.gz HNJICQHIVMVAER-PSQNISHLSA-N 0 0 491.587 5.801 40 0 JKABRN Cc1cccc(COc2c(Br)cc(/C=C3\SC(=N)NC3=O)cc2Br)c1 ZINC000015227521 555887610 /nfs/dbraw/zinc/88/76/10/555887610.db2.gz XDIPSPXKIZXFDA-NVNXTCNLSA-N 0 0 482.197 5.238 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OC(C)=O ZINC000015228772 555888354 /nfs/dbraw/zinc/88/83/54/555888354.db2.gz MDYXPXFEXWXFQF-CAOOACKPSA-N 0 0 468.314 5.177 40 0 JKABRN Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(F)cc1 ZINC000015230385 555889220 /nfs/dbraw/zinc/88/92/20/555889220.db2.gz LAPKNXRZUHVETR-YCNYHXFESA-N 0 0 464.565 6.968 40 0 JKABRN Cc1sc2nc(SCc3nc(-c4ccc(Cl)cc4)no3)n(-c3ccccc3)c(=O)c2c1C ZINC000015230382 555889259 /nfs/dbraw/zinc/88/92/59/555889259.db2.gz HDSFBFXOYNORBO-UHFFFAOYSA-N 0 0 481.002 6.060 40 0 JKABRN Cc1oc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1COc1ccc2oc3ccccc3c2c1 ZINC000015231422 555889801 /nfs/dbraw/zinc/88/98/01/555889801.db2.gz KZVNGJNQMGFBQL-OYZYGDNFSA-N 0 0 483.608 7.401 40 0 JKABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022231868 555890831 /nfs/dbraw/zinc/89/08/31/555890831.db2.gz HTUQQVRSXVKCND-UHFFFAOYSA-N 0 0 480.630 5.411 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000015267177 555891394 /nfs/dbraw/zinc/89/13/94/555891394.db2.gz JJNVCUKNGBZSAU-UHFFFAOYSA-N 0 0 464.934 5.047 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000022232620 555891940 /nfs/dbraw/zinc/89/19/40/555891940.db2.gz KWHPINNBDCOPLV-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000022232622 555892153 /nfs/dbraw/zinc/89/21/53/555892153.db2.gz XBQBZIMWIOUBJZ-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN CCCCc1ccc(NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022232793 555892475 /nfs/dbraw/zinc/89/24/75/555892475.db2.gz MYCFWDOVYOKGHF-UHFFFAOYSA-N 0 0 484.593 5.152 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022232809 555892514 /nfs/dbraw/zinc/89/25/14/555892514.db2.gz ULJQSPKFFCGFGQ-UHFFFAOYSA-N 0 0 484.593 5.241 40 0 JKABRN CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4c(F)cc(F)cc4Br)c(N)c3cc2C1 ZINC000015277067 555892534 /nfs/dbraw/zinc/89/25/34/555892534.db2.gz INHXOIQVPGOCEP-LLVKDONJSA-N 0 0 494.405 6.323 40 0 JKABRN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Br)cc1Br)CCC3 ZINC000015277457 555892798 /nfs/dbraw/zinc/89/27/98/555892798.db2.gz XKOKDNKBACWWRV-UHFFFAOYSA-N 0 0 467.186 5.145 40 0 JKABRN c1ccc(Cn2c3ccccc3nc2CCCCc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000015277470 555892875 /nfs/dbraw/zinc/89/28/75/555892875.db2.gz WINJDROBCVCKTC-UHFFFAOYSA-N 0 0 470.620 7.048 40 0 JKABRN CC(C)c1ccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000022233059 555893073 /nfs/dbraw/zinc/89/30/73/555893073.db2.gz XBKFRFXLDBNPRE-UHFFFAOYSA-N 0 0 487.021 5.447 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000022233563 555893556 /nfs/dbraw/zinc/89/35/56/555893556.db2.gz JRBYSGRSLOYONY-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN CCCCc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000022233750 555894251 /nfs/dbraw/zinc/89/42/51/555894251.db2.gz CZOAWMIOVVWFQP-UHFFFAOYSA-N 0 0 484.593 5.152 40 0 JKABRN COc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3/N=C(c4ccccc4)OC3=O)cc2c1 ZINC000015303872 555894332 /nfs/dbraw/zinc/89/43/32/555894332.db2.gz GHLKTBLRDLXVJZ-HZHRSRAPSA-N 0 0 472.953 6.393 40 0 JKABRN CCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000015304083 555894335 /nfs/dbraw/zinc/89/43/35/555894335.db2.gz KTXQZOCPFVSQGI-KTMFPKCZSA-N 0 0 491.664 7.121 40 0 JKABRN CCn1cc(C(=O)Nc2ccccc2Oc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236972 555894487 /nfs/dbraw/zinc/89/44/87/555894487.db2.gz ARMNMTXCEOQOSJ-UHFFFAOYSA-N 0 0 452.432 6.085 40 0 JKABRN CCn1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237025 555894853 /nfs/dbraw/zinc/89/48/53/555894853.db2.gz YNWPFNBVQRDPGB-GFCCVEGCSA-N 0 0 467.285 5.294 40 0 JKABRN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OCc2cccc(I)c2)cc1 ZINC000015307030 555895319 /nfs/dbraw/zinc/89/53/19/555895319.db2.gz FGDIVIBOKWQHOI-STZFKDTASA-N 0 0 481.289 5.215 40 0 JKABRN O=C1C[C@@H](N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000015307454 555895654 /nfs/dbraw/zinc/89/56/54/555895654.db2.gz IYNMXBSBEXKXJZ-GOSISDBHSA-N 0 0 460.386 5.115 40 0 JKABRN COc1ccc(/N=c2\sc(C(=O)Nc3ccc(Cl)cc3)cc(=O)n2-c2ccc(OC)cc2)cc1 ZINC000015307189 555895690 /nfs/dbraw/zinc/89/56/90/555895690.db2.gz MIAHKRKGUBBQTO-FVDSYPCUSA-N 0 0 493.972 5.054 40 0 JKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022245625 555896161 /nfs/dbraw/zinc/89/61/61/555896161.db2.gz NLVIUFGNXODWDO-UHFFFAOYSA-N 0 0 459.415 6.509 40 0 JKABRN CC[C@H](C(=O)c1ccc(Br)cc1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC)C(=O)OC ZINC000015320963 555898196 /nfs/dbraw/zinc/89/81/96/555898196.db2.gz ACMUTRQCLIARHL-ROUUACIJSA-N 0 0 481.770 5.057 40 0 JKABRN COc1ccc(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)cc1Br ZINC000015322888 555898745 /nfs/dbraw/zinc/89/87/45/555898745.db2.gz UAIADYAIEIQGHE-UHFFFAOYSA-N 0 0 469.360 5.752 40 0 JKABRN Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c1 ZINC000022255291 555903163 /nfs/dbraw/zinc/90/31/63/555903163.db2.gz RPZGXUIOQKPORY-UHFFFAOYSA-N 0 0 469.651 6.236 40 0 JKABRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c(C(C)C)c1 ZINC000022255274 555903167 /nfs/dbraw/zinc/90/31/67/555903167.db2.gz XSVPAMXYRNOTAG-UHFFFAOYSA-N 0 0 490.069 6.581 40 0 JKABRN CC[C@@H](C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255351 555903488 /nfs/dbraw/zinc/90/34/88/555903488.db2.gz ZWQSCUPTHFRCDD-LJQANCHMSA-N 0 0 475.976 6.410 40 0 JKABRN Cc1cccc(-c2noc(CN(C(=O)c3cccc(OCc4ccccc4Cl)c3)C(C)(C)C)n2)c1 ZINC000022255405 555903507 /nfs/dbraw/zinc/90/35/07/555903507.db2.gz FDZUFFPEUNVZTM-UHFFFAOYSA-N 0 0 490.003 6.718 40 0 JKABRN Cc1ccc(-c2noc(CN(C(=O)c3cccc(OCc4ccccc4Cl)c3)C(C)(C)C)n2)cc1 ZINC000022255452 555903587 /nfs/dbraw/zinc/90/35/87/555903587.db2.gz QVUCZLNVPIRECV-UHFFFAOYSA-N 0 0 490.003 6.718 40 0 JKABRN CC[C@@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255443 555903611 /nfs/dbraw/zinc/90/36/11/555903611.db2.gz ZQKSNORSAKNZKW-HXUWFJFHSA-N 0 0 490.003 6.718 40 0 JKABRN CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022255893 555903827 /nfs/dbraw/zinc/90/38/27/555903827.db2.gz SZRPDIYNSUFBQH-FQEVSTJZSA-N 0 0 452.986 5.354 40 0 JKABRN Cc1ccc(-c2noc(CN(C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)C3CCCC3)n2)cc1 ZINC000022255750 555903834 /nfs/dbraw/zinc/90/38/34/555903834.db2.gz JFSZMCIVGCBMEE-HSZRJFAPSA-N 0 0 458.606 5.541 40 0 JKABRN Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C(C)(C)C)C2)cc1 ZINC000022255957 555904092 /nfs/dbraw/zinc/90/40/92/555904092.db2.gz WHOUFAFSJYKULH-FQEVSTJZSA-N 0 0 467.013 5.742 40 0 JKABRN CC[C@H](C)N(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256178 555904139 /nfs/dbraw/zinc/90/41/39/555904139.db2.gz FLUNPANPDZGRHI-UNMCSNQZSA-N 0 0 462.594 5.097 40 0 JKABRN Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4Cl)no3)C(C)C)C2)cc1 ZINC000022256028 555904199 /nfs/dbraw/zinc/90/41/99/555904199.db2.gz RHGBVWTYUOBFFH-SFHVURJKSA-N 0 0 487.431 6.005 40 0 JKABRN COc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 ZINC000022257054 555904911 /nfs/dbraw/zinc/90/49/11/555904911.db2.gz VGJHYAMIWWAQNM-UHFFFAOYSA-N 0 0 469.607 5.392 40 0 JKABRN O=C(Nc1cccc(I)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258121 555905621 /nfs/dbraw/zinc/90/56/21/555905621.db2.gz LRHKFLOYRSGTQF-UHFFFAOYSA-N 0 0 463.702 5.776 40 0 JKABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3ccccc32)cc1C ZINC000022268301 555907347 /nfs/dbraw/zinc/90/73/47/555907347.db2.gz FRNWATSKXFZDCU-SANMLTNESA-N 0 0 488.609 5.075 40 0 JKABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)cc1C ZINC000022268645 555907777 /nfs/dbraw/zinc/90/77/77/555907777.db2.gz OPSHTFQIETWTTB-VWLOTQADSA-N 0 0 494.657 5.354 40 0 JKABRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccc(Br)cc1F ZINC000012105320 555908102 /nfs/dbraw/zinc/90/81/02/555908102.db2.gz ONNYDGAQCZIUHS-UHFFFAOYSA-N 0 0 497.393 5.491 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015418857 555908182 /nfs/dbraw/zinc/90/81/82/555908182.db2.gz PKCUNVSGPZNZCW-UHFFFAOYSA-N 0 0 452.429 5.206 40 0 JKABRN CCOC(=O)C1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000015441097 555909123 /nfs/dbraw/zinc/90/91/23/555909123.db2.gz DSAYOBQULYPJFC-VWLOTQADSA-N 0 0 494.632 6.121 40 0 JKABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000022271742 555910045 /nfs/dbraw/zinc/91/00/45/555910045.db2.gz BIAWSBHFNQLASO-VWLOTQADSA-N 0 0 480.630 5.045 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000022273680 555910375 /nfs/dbraw/zinc/91/03/75/555910375.db2.gz RZRGIPLXMJQMEC-UHFFFAOYSA-N 0 0 475.703 5.070 40 0 JKABRN Cc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022273886 555910381 /nfs/dbraw/zinc/91/03/81/555910381.db2.gz VHPUTEROPOQMSG-UHFFFAOYSA-N 0 0 498.648 5.728 40 0 JKABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000022273817 555910399 /nfs/dbraw/zinc/91/03/99/555910399.db2.gz POGVRMKMTPTUFE-UHFFFAOYSA-N 0 0 470.594 5.111 40 0 JKABRN CC(C)c1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000022274146 555910599 /nfs/dbraw/zinc/91/05/99/555910599.db2.gz GUFSZFBEGAKMRM-UHFFFAOYSA-N 0 0 458.583 5.797 40 0 JKABRN CC(C)c1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274165 555910671 /nfs/dbraw/zinc/91/06/71/555910671.db2.gz YGNWAYXMZCNPPU-UHFFFAOYSA-N 0 0 476.520 5.663 40 0 JKABRN CCc1ccccc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000022274050 555910675 /nfs/dbraw/zinc/91/06/75/555910675.db2.gz XXKZWBMBOIABMF-UHFFFAOYSA-N 0 0 498.648 5.673 40 0 JKABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 ZINC000022274187 555910934 /nfs/dbraw/zinc/91/09/34/555910934.db2.gz RVLWSTSBBIULDX-UHFFFAOYSA-N 0 0 450.947 5.327 40 0 JKABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000022274190 555911015 /nfs/dbraw/zinc/91/10/15/555911015.db2.gz SUWPZKPXDVBCSH-UHFFFAOYSA-N 0 0 492.984 5.966 40 0 JKABRN CC(C)c1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccccc2)cc1 ZINC000022274168 555911034 /nfs/dbraw/zinc/91/10/34/555911034.db2.gz QENINSKAQNGJTG-UHFFFAOYSA-N 0 0 487.419 5.407 40 0 JKABRN COc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274414 555911312 /nfs/dbraw/zinc/91/13/12/555911312.db2.gz ZWQFDOWSESWWOR-UHFFFAOYSA-N 0 0 488.565 5.322 40 0 JKABRN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 ZINC000022274374 555911318 /nfs/dbraw/zinc/91/13/18/555911318.db2.gz UEMQAAUTSMIXQP-UHFFFAOYSA-N 0 0 495.398 5.436 40 0 JKABRN COc1cccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022274405 555911322 /nfs/dbraw/zinc/91/13/22/555911322.db2.gz XXVFKIUUMRNZTK-UHFFFAOYSA-N 0 0 488.565 5.322 40 0 JKABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000022274618 555911575 /nfs/dbraw/zinc/91/15/75/555911575.db2.gz TWGSWGKHDFALIL-UHFFFAOYSA-N 0 0 485.392 5.981 40 0 JKABRN Cc1cc(C)cc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000022274593 555911579 /nfs/dbraw/zinc/91/15/79/555911579.db2.gz LLJUBBDEWPQKFX-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022275072 555911875 /nfs/dbraw/zinc/91/18/75/555911875.db2.gz FXCDZNHZSTUGEO-UHFFFAOYSA-N 0 0 456.995 5.606 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022275121 555912177 /nfs/dbraw/zinc/91/21/77/555912177.db2.gz LGLXAXQUJHXDKN-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2)cc1 ZINC000022275135 555912226 /nfs/dbraw/zinc/91/22/26/555912226.db2.gz ZFAFJUODKBVZNT-UHFFFAOYSA-N 0 0 484.621 5.419 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2C)cc1 ZINC000022275185 555912238 /nfs/dbraw/zinc/91/22/38/555912238.db2.gz ZMAOAVNUMWHWAN-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccc(C)cc2C)cc1 ZINC000022275389 555912408 /nfs/dbraw/zinc/91/24/08/555912408.db2.gz COGWQLSMPNCBEE-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2cc(C)ccc2C)cc1 ZINC000022275474 555912423 /nfs/dbraw/zinc/91/24/23/555912423.db2.gz XSLACZMGPYYDEN-UHFFFAOYSA-N 0 0 458.583 5.599 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccc(C)cc2C)cc1 ZINC000022275398 555912448 /nfs/dbraw/zinc/91/24/48/555912448.db2.gz CLTQPJCOKQBJEZ-UHFFFAOYSA-N 0 0 458.583 5.599 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275610 555912754 /nfs/dbraw/zinc/91/27/54/555912754.db2.gz RIRJSBMQQBLWQO-UHFFFAOYSA-N 0 0 458.583 5.545 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccc(C(C)C)cc2)cc1 ZINC000022275769 555912774 /nfs/dbraw/zinc/91/27/74/555912774.db2.gz ASPLJYNIUFTDNV-UHFFFAOYSA-N 0 0 472.610 6.106 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000022275753 555912798 /nfs/dbraw/zinc/91/27/98/555912798.db2.gz YGZUZDVQYOASMN-UHFFFAOYSA-N 0 0 456.995 5.606 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2cccc(Cl)c2)cc1 ZINC000022275946 555913156 /nfs/dbraw/zinc/91/31/56/555913156.db2.gz CHRUNRUPAIGPLY-UHFFFAOYSA-N 0 0 456.995 5.606 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2Cl)cc1 ZINC000022275866 555913185 /nfs/dbraw/zinc/91/31/85/555913185.db2.gz AJZPOOMLPNNMSR-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccc(Cl)cc2)cc1 ZINC000022276121 555913324 /nfs/dbraw/zinc/91/33/24/555913324.db2.gz AKEMXMPESSLJTI-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(Br)c2)cc1 ZINC000022276273 555913357 /nfs/dbraw/zinc/91/33/57/555913357.db2.gz KKEQGESAIJCSNL-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccc(Br)cc2)cc1 ZINC000022276413 555913700 /nfs/dbraw/zinc/91/37/00/555913700.db2.gz FTDFXFWKOPSECK-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(Br)cc2)cc1 ZINC000022276408 555913722 /nfs/dbraw/zinc/91/37/22/555913722.db2.gz JPFCHASTPONKLG-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN CCOc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276582 555914017 /nfs/dbraw/zinc/91/40/17/555914017.db2.gz XAOSYSIDNJBLIM-UHFFFAOYSA-N 0 0 474.582 5.381 40 0 JKABRN COc1cccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022276493 555914083 /nfs/dbraw/zinc/91/40/83/555914083.db2.gz HTUWXNCZUBONDT-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276813 555914335 /nfs/dbraw/zinc/91/43/35/555914335.db2.gz BLOJKIQJNNIGCN-UHFFFAOYSA-N 0 0 476.520 5.465 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276820 555914344 /nfs/dbraw/zinc/91/43/44/555914344.db2.gz DMBHJXZXIZTLAA-UHFFFAOYSA-N 0 0 476.520 5.465 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276829 555914367 /nfs/dbraw/zinc/91/43/67/555914367.db2.gz DYHORYIILRMBRG-UHFFFAOYSA-N 0 0 476.520 5.465 40 0 JKABRN CCOc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022277089 555914614 /nfs/dbraw/zinc/91/46/14/555914614.db2.gz MZRDLGUBMWJFBV-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277018 555914616 /nfs/dbraw/zinc/91/46/16/555914616.db2.gz CKJZKTQZRHWYIO-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277068 555914636 /nfs/dbraw/zinc/91/46/36/555914636.db2.gz BRGALNBMJSIUFP-UHFFFAOYSA-N 0 0 499.419 6.289 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccc(F)cc2)cc1 ZINC000022277142 555914658 /nfs/dbraw/zinc/91/46/58/555914658.db2.gz KGANUWJGDIWQQT-UHFFFAOYSA-N 0 0 490.556 5.760 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277030 555914674 /nfs/dbraw/zinc/91/46/74/555914674.db2.gz WOEYTPGAYNUJPH-UHFFFAOYSA-N 0 0 477.413 5.753 40 0 JKABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277231 555914887 /nfs/dbraw/zinc/91/48/87/555914887.db2.gz OXRLUPJBIVMWES-UHFFFAOYSA-N 0 0 472.994 5.108 40 0 JKABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000022277253 555914903 /nfs/dbraw/zinc/91/49/03/555914903.db2.gz XTDWVODACMAUTB-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN COc1ccc(C)cc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277391 555915137 /nfs/dbraw/zinc/91/51/37/555915137.db2.gz CSRGKNSAABFLNW-UHFFFAOYSA-N 0 0 493.412 5.453 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(Cl)cc2C)cc1 ZINC000022277459 555915217 /nfs/dbraw/zinc/91/52/17/555915217.db2.gz LIYQEYIDYCSOPD-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cccc(Cl)c2C)cc1 ZINC000022277774 555915428 /nfs/dbraw/zinc/91/54/28/555915428.db2.gz NESAXVMTQLYRPX-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN CCOc1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277651 555915455 /nfs/dbraw/zinc/91/54/55/555915455.db2.gz SXCGRXGVCBEMKB-UHFFFAOYSA-N 0 0 472.994 5.190 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cccc(Cl)c2C)cc1 ZINC000022277770 555915470 /nfs/dbraw/zinc/91/54/70/555915470.db2.gz ZFHDSYUZLYEUOK-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cccc(Cl)c2C)cc1 ZINC000022277758 555915477 /nfs/dbraw/zinc/91/54/77/555915477.db2.gz IJFCKTHBSAONKX-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(Cl)c2C)cc1 ZINC000022277766 555915495 /nfs/dbraw/zinc/91/54/95/555915495.db2.gz HEICPSPWDXQIFE-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(Cl)c2C)cc1 ZINC000022277787 555915512 /nfs/dbraw/zinc/91/55/12/555915512.db2.gz PINJOPIIDRVADO-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000022277973 555915691 /nfs/dbraw/zinc/91/56/91/555915691.db2.gz HNOUAYXXTMUCTI-UHFFFAOYSA-N 0 0 471.022 5.914 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022278165 555916020 /nfs/dbraw/zinc/91/60/20/555916020.db2.gz GBXWUGUTIXKYGB-UHFFFAOYSA-N 0 0 488.959 5.311 40 0 JKABRN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022278103 555916064 /nfs/dbraw/zinc/91/60/64/555916064.db2.gz AKFYYACJWFAFJJ-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN CCc1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000022278342 555916211 /nfs/dbraw/zinc/91/62/11/555916211.db2.gz RNABMBBRVCRROU-UHFFFAOYSA-N 0 0 463.386 5.390 40 0 JKABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000022278346 555916252 /nfs/dbraw/zinc/91/62/52/555916252.db2.gz STHATZLMDXXHFE-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1 ZINC000022278404 555916257 /nfs/dbraw/zinc/91/62/57/555916257.db2.gz CHNNTDPXYJJPIT-UHFFFAOYSA-N 0 0 488.565 5.322 40 0 JKABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1Cl ZINC000022278747 555916516 /nfs/dbraw/zinc/91/65/16/555916516.db2.gz ZHJZRULUKFPZNP-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C)cc2)cc1 ZINC000022278602 555916563 /nfs/dbraw/zinc/91/65/63/555916563.db2.gz OVXISCGOVCHTQD-UHFFFAOYSA-N 0 0 492.519 5.247 40 0 JKABRN Cc1cc(C)cc(N(CC(=O)Nc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022279068 555916699 /nfs/dbraw/zinc/91/66/99/555916699.db2.gz MVGLJBIDZOXHRU-UHFFFAOYSA-N 0 0 470.594 5.804 40 0 JKABRN CC(C)c1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000022303399 555919137 /nfs/dbraw/zinc/91/91/37/555919137.db2.gz ZKAWIJUXWWDUBW-SANMLTNESA-N 0 0 462.615 5.199 40 0 JKABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000022308141 555919806 /nfs/dbraw/zinc/91/98/06/555919806.db2.gz BPVGCEKQAKERES-HSZRJFAPSA-N 0 0 489.424 5.383 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022311574 555920283 /nfs/dbraw/zinc/92/02/83/555920283.db2.gz PNNAMCXCKMWFKM-QHCPKHFHSA-N 0 0 487.021 5.120 40 0 JKABRN Cc1c(Cl)cccc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000022311523 555920394 /nfs/dbraw/zinc/92/03/94/555920394.db2.gz TUEPTCHYTFRFTE-QHCPKHFHSA-N 0 0 469.006 5.038 40 0 JKABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022312465 555920419 /nfs/dbraw/zinc/92/04/19/555920419.db2.gz XFYKHHKKYIVJNI-LJQANCHMSA-N 0 0 487.021 5.038 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022317484 555921045 /nfs/dbraw/zinc/92/10/45/555921045.db2.gz BFOFRDKGYCTCBS-VWLOTQADSA-N 0 0 480.630 5.083 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022319238 555921216 /nfs/dbraw/zinc/92/12/16/555921216.db2.gz GSQLLQKNVKLBKM-RUZDIDTESA-N 0 0 480.630 5.029 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2cccc(Cl)c2C)cc1 ZINC000022325711 555921858 /nfs/dbraw/zinc/92/18/58/555921858.db2.gz GAQIRFLSJJWGRM-NRFANRHFSA-N 0 0 485.049 5.646 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2cccc(C)c2C)cc1 ZINC000022347586 555923799 /nfs/dbraw/zinc/92/37/99/555923799.db2.gz JIUHCEGEPQVONW-RUZDIDTESA-N 0 0 462.615 5.001 40 0 JKABRN COc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022349645 555923814 /nfs/dbraw/zinc/92/38/14/555923814.db2.gz GXWIDLSHVVUVNU-UHFFFAOYSA-N 0 0 470.566 5.100 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccc(Cl)cc2)cc1 ZINC000022346277 555923841 /nfs/dbraw/zinc/92/38/41/555923841.db2.gz KINBQNABTZAJNU-LJQANCHMSA-N 0 0 487.021 5.038 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000022370956 555926540 /nfs/dbraw/zinc/92/65/40/555926540.db2.gz YNVARPWOBDNDSF-FQEVSTJZSA-N 0 0 471.022 5.338 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022371942 555926881 /nfs/dbraw/zinc/92/68/81/555926881.db2.gz CLHDWBPWQGJGHA-HXUWFJFHSA-N 0 0 471.022 5.338 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000022371480 555926907 /nfs/dbraw/zinc/92/69/07/555926907.db2.gz YFXXHEFTIICGHZ-DEOSSOPVSA-N 0 0 487.021 5.120 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000022432749 555930656 /nfs/dbraw/zinc/93/06/56/555930656.db2.gz IIPKDIAVSHGJGH-UHFFFAOYSA-N 0 0 451.320 6.053 40 0 JKABRN Cc1ccc(CN(C)C(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000022530234 555931518 /nfs/dbraw/zinc/93/15/18/555931518.db2.gz MVQRMZUIZQINCP-UHFFFAOYSA-N 0 0 484.621 5.663 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1 ZINC000022531246 555931843 /nfs/dbraw/zinc/93/18/43/555931843.db2.gz LWRMIRUVQNIWNP-INIZCTEOSA-N 0 0 450.991 7.148 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2sc3ccccc3c2Cl)cc1 ZINC000022531116 555931872 /nfs/dbraw/zinc/93/18/72/555931872.db2.gz MRYFNFBLTLRPEL-UHFFFAOYSA-N 0 0 450.947 5.973 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000022531269 555931893 /nfs/dbraw/zinc/93/18/93/555931893.db2.gz KTYPRWVLIAVJSI-INIZCTEOSA-N 0 0 450.991 7.148 40 0 JKABRN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000022532748 555932360 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JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=S)NC(=O)C(C)C)cc1 ZINC000022535180 555932999 /nfs/dbraw/zinc/93/29/99/555932999.db2.gz QXHWIOFSUUGVRG-UHFFFAOYSA-N 0 0 453.391 5.234 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2s1 ZINC000022534543 555933019 /nfs/dbraw/zinc/93/30/19/555933019.db2.gz HLKYUMIHYMQWML-UHFFFAOYSA-N 0 0 452.761 5.703 40 0 JKABRN COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000022535903 555933290 /nfs/dbraw/zinc/93/32/90/555933290.db2.gz MZEVOSWOKPPSRR-UHFFFAOYSA-N 0 0 453.976 5.752 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000022535888 555933316 /nfs/dbraw/zinc/93/33/16/555933316.db2.gz YXFIMVHPPPLGCG-UHFFFAOYSA-N 0 0 453.976 5.752 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1 ZINC000022535826 555933337 /nfs/dbraw/zinc/93/33/37/555933337.db2.gz ZMLGKGRHKZLGLW-UHFFFAOYSA-N 0 0 453.926 6.031 40 0 JKABRN COc1ccccc1NC(=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022535591 555933357 /nfs/dbraw/zinc/93/33/57/555933357.db2.gz YTSQTEBXNAONQY-UHFFFAOYSA-N 0 0 453.558 5.077 40 0 JKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)C(c1ccccc1)c1ccccc1 ZINC000022537247 555933817 /nfs/dbraw/zinc/93/38/17/555933817.db2.gz ZBVACXHTAJEXTO-UHFFFAOYSA-N 0 0 454.982 7.387 40 0 JKABRN COC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000022536917 555933869 /nfs/dbraw/zinc/93/38/69/555933869.db2.gz CYZZIVUUMQMRFI-ZRDIBKRKSA-N 0 0 454.935 5.221 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)o2)cc1Cl ZINC000022537100 555933911 /nfs/dbraw/zinc/93/39/11/555933911.db2.gz CIBHNJVXVNRRPK-RSPDNQDQSA-N 0 0 454.979 5.846 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1 ZINC000022563150 555934614 /nfs/dbraw/zinc/93/46/14/555934614.db2.gz OSCZSLHUJOZPRV-IBGZPJMESA-N 0 0 456.586 7.323 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2C)cc1 ZINC000022563206 555934635 /nfs/dbraw/zinc/93/46/35/555934635.db2.gz IQACXDNOISSDJI-IBGZPJMESA-N 0 0 456.586 7.458 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1 ZINC000022563145 555934640 /nfs/dbraw/zinc/93/46/40/555934640.db2.gz OSCZSLHUJOZPRV-LJQANCHMSA-N 0 0 456.586 7.323 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000022563878 555934746 /nfs/dbraw/zinc/93/47/46/555934746.db2.gz ZWIDIRKJRQFCSB-FMIVXFBMSA-N 0 0 457.357 6.952 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccc4c(Cl)cccc34)c2)cc1 ZINC000022563740 555934753 /nfs/dbraw/zinc/93/47/53/555934753.db2.gz LMXSQTSYJSZISY-UHFFFAOYSA-N 0 0 456.973 7.295 40 0 JKABRN CCc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1 ZINC000022564491 555935319 /nfs/dbraw/zinc/93/53/19/555935319.db2.gz XPLOYGSDCAPBHF-UHFFFAOYSA-N 0 0 457.578 5.155 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2OC)cc1 ZINC000022564851 555935588 /nfs/dbraw/zinc/93/55/88/555935588.db2.gz KQCRVYAYHMDKBH-UHFFFAOYSA-N 0 0 458.341 6.026 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 ZINC000022565174 555935977 /nfs/dbraw/zinc/93/59/77/555935977.db2.gz PLIBXIVVACTGBP-KRWDZBQOSA-N 0 0 458.514 5.027 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000022566453 555936133 /nfs/dbraw/zinc/93/61/33/555936133.db2.gz NTNGCKHNSRNFSD-UHFFFAOYSA-N 0 0 459.369 7.423 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000022566382 555936196 /nfs/dbraw/zinc/93/61/96/555936196.db2.gz JNZYEQVYWLEWGH-UHFFFAOYSA-N 0 0 459.329 5.177 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000022566363 555936216 /nfs/dbraw/zinc/93/62/16/555936216.db2.gz UXUIZJIXRUYBRP-UHFFFAOYSA-N 0 0 459.329 5.421 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000022567359 555936548 /nfs/dbraw/zinc/93/65/48/555936548.db2.gz SLKBWAPHHBYECD-UHFFFAOYSA-N 0 0 459.615 5.980 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccc(C)c(C)c1 ZINC000022567153 555936595 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CC(C)c1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022576057 555938648 /nfs/dbraw/zinc/93/86/48/555938648.db2.gz VEQIRKBBPGWBPZ-UHFFFAOYSA-N 0 0 465.613 6.192 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)cc2s1 ZINC000022578202 555939006 /nfs/dbraw/zinc/93/90/06/555939006.db2.gz BBZXVQZODSRZTC-MDWZMJQESA-N 0 0 466.632 5.685 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000022577297 555939017 /nfs/dbraw/zinc/93/90/17/555939017.db2.gz RPBGDRDVAYIVGN-UHFFFAOYSA-N 0 0 466.537 5.684 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1OC ZINC000022578419 555939034 /nfs/dbraw/zinc/93/90/34/555939034.db2.gz RJOHLGAIMTUPFT-SDNWHVSQSA-N 0 0 466.965 6.698 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)cc1I ZINC000022576632 555939072 /nfs/dbraw/zinc/93/90/72/555939072.db2.gz FJURPAOCTXYXMC-UHFFFAOYSA-N 0 0 466.388 5.332 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3N3CCCC3)o2)cc1Cl ZINC000022576486 555939099 /nfs/dbraw/zinc/93/90/99/555939099.db2.gz RDQQIHBWZJYBGX-ACCUITESSA-N 0 0 466.006 6.035 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2s1 ZINC000022578867 555939262 /nfs/dbraw/zinc/93/92/62/555939262.db2.gz XOSDGZICHFIVFT-UHFFFAOYSA-N 0 0 467.403 5.469 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=S)NC(=O)C(C)(C)C)cc1 ZINC000022578912 555939266 /nfs/dbraw/zinc/93/92/66/555939266.db2.gz BKWYWBPMHWNZHL-UHFFFAOYSA-N 0 0 467.418 5.624 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000022578733 555939294 /nfs/dbraw/zinc/93/92/94/555939294.db2.gz HUNVPXLJTLZFLK-RMKNXTFCSA-N 0 0 467.352 7.079 40 0 JKABRN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000012192826 555939779 /nfs/dbraw/zinc/93/97/79/555939779.db2.gz MJBQTEXHCHEOMD-LMSSTIIKSA-N 0 0 494.978 7.110 40 0 JKABRN CCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000022705061 555942807 /nfs/dbraw/zinc/94/28/07/555942807.db2.gz CVABZVZFVKLGBH-ACCUITESSA-N 0 0 468.962 5.612 40 0 JKABRN CC(C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)(c1ccccc1)c1ccccc1 ZINC000022705197 555942811 /nfs/dbraw/zinc/94/28/11/555942811.db2.gz UPNQNFKYSKRIBB-UHFFFAOYSA-N 0 0 469.009 7.561 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCC(C)CC4)c(Cl)c3)o2)cc1Cl ZINC000022705412 555943159 /nfs/dbraw/zinc/94/31/59/555943159.db2.gz OCZUOCBARSGAEN-JXMROGBWSA-N 0 0 469.412 7.450 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000022706296 555943454 /nfs/dbraw/zinc/94/34/54/555943454.db2.gz UEWHTCVDHAUZMZ-UHFFFAOYSA-N 0 0 470.381 6.545 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 ZINC000022706298 555943462 /nfs/dbraw/zinc/94/34/62/555943462.db2.gz PFHPVISKZSWCKE-UHFFFAOYSA-N 0 0 470.381 6.545 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4nc5ncccc5o4)ccc3C)o2)cc1Cl ZINC000022706065 555943477 /nfs/dbraw/zinc/94/34/77/555943477.db2.gz OBXCRBPYYBXLRS-ZRDIBKRKSA-N 0 0 469.928 7.072 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C(Cl)(Cl)Cl)cc3)nc2c1 ZINC000022706993 555943634 /nfs/dbraw/zinc/94/36/34/555943634.db2.gz PINMBWYZWHBZDV-LLVKDONJSA-N 0 0 470.809 6.192 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2C)cc1 ZINC000022706843 555943665 /nfs/dbraw/zinc/94/36/65/555943665.db2.gz OCLWFEPABNTSCV-PMACEKPBSA-N 0 0 470.613 7.848 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)cc2s1 ZINC000022706919 555943761 /nfs/dbraw/zinc/94/37/61/555943761.db2.gz FJIQUWYQCGWKDX-UHFFFAOYSA-N 0 0 470.620 5.197 40 0 JKABRN Cc1cccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2)c1 ZINC000022707108 555943786 /nfs/dbraw/zinc/94/37/86/555943786.db2.gz OQFBCJBOUCLVMR-FYWRMAATSA-N 0 0 470.956 7.121 40 0 JKABRN COc1ccc(C(=O)N2c3ccc(C)cc3[C@H](N(C(=O)C(C)C)c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000022706852 555943802 /nfs/dbraw/zinc/94/38/02/555943802.db2.gz VWMRIZYATRDLOA-RBISFHTESA-N 0 0 470.613 6.481 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)o2)cc1Cl ZINC000022707286 555943906 /nfs/dbraw/zinc/94/39/06/555943906.db2.gz WHCKFBFBVNSWHZ-ACCUITESSA-N 0 0 470.981 7.837 40 0 JKABRN CCNC(=O)N(c1ccc(C)cc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccc(C)cc21 ZINC000022707757 555944325 /nfs/dbraw/zinc/94/43/25/555944325.db2.gz UQLQMWSVLUHVOD-JIPXPUAJSA-N 0 0 471.601 6.028 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(C)c1 ZINC000022708058 555944521 /nfs/dbraw/zinc/94/45/21/555944521.db2.gz JOHLYORFWXSBIN-UHFFFAOYSA-N 0 0 472.397 5.989 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccc(C)cc2)cc1 ZINC000022708031 555944530 /nfs/dbraw/zinc/94/45/30/555944530.db2.gz LHIRBBSIGCDCFI-UHFFFAOYSA-N 0 0 472.368 6.091 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccccc2C)cc1 ZINC000022708035 555944553 /nfs/dbraw/zinc/94/45/53/555944553.db2.gz DROHHOLPAAYPKK-UHFFFAOYSA-N 0 0 472.368 6.091 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc(C)cc2)cc1 ZINC000022708028 555944564 /nfs/dbraw/zinc/94/45/64/555944564.db2.gz JKMBUFMLFKYEFA-UHFFFAOYSA-N 0 0 472.368 6.091 40 0 JKABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000022708008 555944572 /nfs/dbraw/zinc/94/45/72/555944572.db2.gz YWDXQTBXBNMYOC-UHFFFAOYSA-N 0 0 472.364 5.184 40 0 JKABRN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000022708246 555944756 /nfs/dbraw/zinc/94/47/56/555944756.db2.gz GUGKYDUVIJDKQG-DEOSSOPVSA-N 0 0 472.532 5.743 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccc(C3CCCCC3)cc2)cc1 ZINC000022708413 555944760 /nfs/dbraw/zinc/94/47/60/555944760.db2.gz KLAZYWPWWMNCCB-UHFFFAOYSA-N 0 0 472.585 5.918 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 ZINC000022708401 555944825 /nfs/dbraw/zinc/94/48/25/555944825.db2.gz LXTDWGKXESSQHK-LJQANCHMSA-N 0 0 472.585 7.158 40 0 JKABRN Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 ZINC000022708112 555944835 /nfs/dbraw/zinc/94/48/35/555944835.db2.gz WOIFVFDDOGOZIP-UHFFFAOYSA-N 0 0 472.441 6.613 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4C)cc3n2)cc1 ZINC000022708507 555945193 /nfs/dbraw/zinc/94/51/93/555945193.db2.gz NQCVYMHWDSCQNW-UHFFFAOYSA-N 0 0 472.618 5.010 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3O)nc2c1 ZINC000022709640 555945322 /nfs/dbraw/zinc/94/53/22/555945322.db2.gz WPTIZYUTTWWAMY-KRWDZBQOSA-N 0 0 473.598 6.458 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc2ccccc21 ZINC000022710034 555945372 /nfs/dbraw/zinc/94/53/72/555945372.db2.gz ZFNHCNLDMBQSNM-UHFFFAOYSA-N 0 0 474.010 6.897 40 0 JKABRN CCOC(=O)[C@@H]1CCCN(c2nc(Nc3ccc(C)cc3C)nc(Nc3ccc(C)cc3C)n2)C1 ZINC000022710790 555945694 /nfs/dbraw/zinc/94/56/94/555945694.db2.gz ITPBZWKGYMLSSG-OAQYLSRUSA-N 0 0 474.609 5.372 40 0 JKABRN CCOC(=O)[C@H]1CCCN(c2nc(Nc3ccc(C)cc3C)nc(Nc3ccc(C)cc3C)n2)C1 ZINC000022710794 555945732 /nfs/dbraw/zinc/94/57/32/555945732.db2.gz ITPBZWKGYMLSSG-NRFANRHFSA-N 0 0 474.609 5.372 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 ZINC000022711892 555945936 /nfs/dbraw/zinc/94/59/36/555945936.db2.gz DHEBOSIEEOYZHI-UHFFFAOYSA-N 0 0 475.596 6.494 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(Br)c3)o2)cc1Cl ZINC000022712084 555945971 /nfs/dbraw/zinc/94/59/71/555945971.db2.gz YFEUISRKAAYWBW-CSKARUKUSA-N 0 0 475.795 6.197 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3Br)o2)cc1Cl ZINC000022712080 555945990 /nfs/dbraw/zinc/94/59/90/555945990.db2.gz GPOSWCRGKXSGLF-PKNBQFBNSA-N 0 0 475.795 6.197 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3)nc2c1 ZINC000022712805 555946529 /nfs/dbraw/zinc/94/65/29/555946529.db2.gz YRMXWLKDLVLGGE-OAQYLSRUSA-N 0 0 476.576 7.840 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000022713147 555946533 /nfs/dbraw/zinc/94/65/33/555946533.db2.gz RSYHWHLRPZFNME-UHFFFAOYSA-N 0 0 476.787 6.599 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000022713135 555946581 /nfs/dbraw/zinc/94/65/81/555946581.db2.gz SSMISMLYACIPQZ-UHFFFAOYSA-N 0 0 476.787 6.979 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000022712813 555946640 /nfs/dbraw/zinc/94/66/40/555946640.db2.gz OXZKBRMSNUDLEC-UHFFFAOYSA-N 0 0 476.576 7.065 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022713365 555946833 /nfs/dbraw/zinc/94/68/33/555946833.db2.gz VXYLJNWKYMNEMJ-UHFFFAOYSA-N 0 0 477.029 7.682 40 0 JKABRN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1Cl ZINC000022714166 555947072 /nfs/dbraw/zinc/94/70/72/555947072.db2.gz WXOKGCZCAZPTSN-UHFFFAOYSA-N 0 0 477.996 5.880 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(OC)c(Cl)c4)nc3cc2C)cc1 ZINC000022715541 555947078 /nfs/dbraw/zinc/94/70/78/555947078.db2.gz JRINVSGTGZHQDZ-MRXNPFEDSA-N 0 0 478.980 5.922 40 0 JKABRN COc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022714469 555947100 /nfs/dbraw/zinc/94/71/00/555947100.db2.gz 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CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(Br)c4)cc3)nc2c1 ZINC000022715745 555947474 /nfs/dbraw/zinc/94/74/74/555947474.db2.gz HUUTUPIFTMAGCJ-OAHLLOKOSA-N 0 0 479.374 7.032 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(OC)c(Cl)c4)nc3cc2C)cc1 ZINC000022715545 555947487 /nfs/dbraw/zinc/94/74/87/555947487.db2.gz JRINVSGTGZHQDZ-INIZCTEOSA-N 0 0 478.980 5.922 40 0 JKABRN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)n2)cc1OC ZINC000022718003 555947949 /nfs/dbraw/zinc/94/79/49/555947949.db2.gz XAHZTQGZMHCXHH-DHZHZOJOSA-N 0 0 480.973 6.701 40 0 JKABRN Cc1cc(NC(=O)c2cccc3c(Br)cccc23)c(C)cc1I ZINC000022716768 555948027 /nfs/dbraw/zinc/94/80/27/555948027.db2.gz FDSYLANSKZSOHR-UHFFFAOYSA-N 0 0 480.143 6.076 40 0 JKABRN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1Br ZINC000022718092 555948055 /nfs/dbraw/zinc/94/80/55/555948055.db2.gz UXCYBNVPEAGCRW-UHFFFAOYSA-N 0 0 481.346 6.144 40 0 JKABRN S=C(Nc1cc(Cl)ccc1Oc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022739040 555948327 /nfs/dbraw/zinc/94/83/27/555948327.db2.gz MPQSDOUBHYFYAM-UHFFFAOYSA-N 0 0 482.005 5.376 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(-c4cc5ccccc5oc4=O)c3)o2)cc1Cl ZINC000022738991 555948358 /nfs/dbraw/zinc/94/83/58/555948358.db2.gz OSPQGFKEZBUGSO-WYMLVPIESA-N 0 0 481.935 7.334 40 0 JKABRN CCN(CC)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c(C)c1 ZINC000022739101 555948443 /nfs/dbraw/zinc/94/84/43/555948443.db2.gz CKPNKIMRWAKHLW-SDNWHVSQSA-N 0 0 482.049 6.589 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000022738761 555948477 /nfs/dbraw/zinc/94/84/77/555948477.db2.gz DJCPJUMMQWLOMR-UHFFFAOYSA-N 0 0 481.621 6.516 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)cc2s1 ZINC000022740389 555948942 /nfs/dbraw/zinc/94/89/42/555948942.db2.gz JNPVVCXUJJEVFZ-UHFFFAOYSA-N 0 0 483.018 5.968 40 0 JKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 ZINC000022740764 555949173 /nfs/dbraw/zinc/94/91/73/555949173.db2.gz DWHLVFUWIOWKDB-UHFFFAOYSA-N 0 0 483.549 5.797 40 0 JKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cc(Cl)ccc1OC ZINC000022741396 555949207 /nfs/dbraw/zinc/94/92/07/555949207.db2.gz KRYMRWQASKOPHX-UHFFFAOYSA-N 0 0 484.002 5.761 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000022741539 555949505 /nfs/dbraw/zinc/94/95/05/555949505.db2.gz HVNNLZJQKQAKSW-UHFFFAOYSA-N 0 0 484.423 7.315 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3C)o2)cc1Cl ZINC000022742591 555949805 /nfs/dbraw/zinc/94/98/05/555949805.db2.gz ASQSBIYDPNPLJD-SDNWHVSQSA-N 0 0 485.008 8.145 40 0 JKABRN COc1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1N1C(=O)c2ccccc2C1=O ZINC000022743305 555949862 /nfs/dbraw/zinc/94/98/62/555949862.db2.gz GOKQYCNVMCTCAW-UHFFFAOYSA-N 0 0 485.721 5.164 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1 ZINC000022743216 555949888 /nfs/dbraw/zinc/94/98/88/555949888.db2.gz GRLVBAFIKVBSBE-HSZRJFAPSA-N 0 0 485.628 5.488 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000022743703 555950168 /nfs/dbraw/zinc/95/01/68/555950168.db2.gz KIIDIMFSEMDJDT-UHFFFAOYSA-N 0 0 486.395 6.804 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(OC(C)C)c2)cc1 ZINC000022743669 555950208 /nfs/dbraw/zinc/95/02/08/555950208.db2.gz DEPZIIVGHCHNOP-UHFFFAOYSA-N 0 0 486.395 6.804 40 0 JKABRN c1ccc2sc(N3CN(Cc4ccc5c(c4)OCO5)CN(c4nc5ccccc5s4)C3)nc2c1 ZINC000022745607 555950786 /nfs/dbraw/zinc/95/07/86/555950786.db2.gz CTZYCMIEEYQCEJ-UHFFFAOYSA-N 0 0 487.610 5.336 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000022746082 555950878 /nfs/dbraw/zinc/95/08/78/555950878.db2.gz YLLABYGPVVUNHG-UHFFFAOYSA-N 0 0 488.367 6.034 40 0 JKABRN Cc1ccnc(SCc2cc(=O)[nH]c(Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)n2)n1 ZINC000022745895 555950884 /nfs/dbraw/zinc/95/08/84/555950884.db2.gz QDOZSSWNIQDCRV-UHFFFAOYSA-N 0 0 487.976 5.168 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000022746073 555950895 /nfs/dbraw/zinc/95/08/95/555950895.db2.gz ICFZJPSDWAXVOA-UHFFFAOYSA-N 0 0 488.367 6.034 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000012319011 555951224 /nfs/dbraw/zinc/95/12/24/555951224.db2.gz VOYNULGGQDAYBA-WCUBMSFQSA-N 0 0 498.619 7.011 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Br)cc3C)o2)cc1Cl ZINC000022748106 555951675 /nfs/dbraw/zinc/95/16/75/555951675.db2.gz OXIRTIRQCOMKCC-JXMROGBWSA-N 0 0 489.822 6.506 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)cc1 ZINC000022748434 555952078 /nfs/dbraw/zinc/95/20/78/555952078.db2.gz QBKAXSPSAJZXMC-LBPRGKRZSA-N 0 0 490.428 6.721 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCN(C(=O)C(C)C)CC3)o2)cc1Cl ZINC000022750163 555952393 /nfs/dbraw/zinc/95/23/93/555952393.db2.gz XMAQVNYGZZUXFN-ACCUITESSA-N 0 0 492.019 5.865 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000022751169 555952697 /nfs/dbraw/zinc/95/26/97/555952697.db2.gz LCJGCGGBUMEZMN-UHFFFAOYSA-N 0 0 492.840 7.050 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(-c4ccc(CO)o4)cc3)o2)cc1Cl ZINC000022751300 555952731 /nfs/dbraw/zinc/95/27/31/555952731.db2.gz KXHAVEUEXZHJHY-JLHYYAGUSA-N 0 0 492.984 6.187 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4)cc3n2)cc1 ZINC000022751398 555952741 /nfs/dbraw/zinc/95/27/41/555952741.db2.gz DYRMVPPAPBUTNH-UHFFFAOYSA-N 0 0 493.036 5.355 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 ZINC000022752790 555953062 /nfs/dbraw/zinc/95/30/62/555953062.db2.gz VYSWBLGGIFQBMK-MRXNPFEDSA-N 0 0 494.016 6.554 40 0 JKABRN COc1c(C)cc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022754568 555953411 /nfs/dbraw/zinc/95/34/11/555953411.db2.gz JWYHYJQIJYFHCV-UHFFFAOYSA-N 0 0 495.417 6.568 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl ZINC000022755740 555953704 /nfs/dbraw/zinc/95/37/04/555953704.db2.gz UKAQDFRQICVEQF-UHFFFAOYSA-N 0 0 496.032 6.025 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000022755793 555953715 /nfs/dbraw/zinc/95/37/15/555953715.db2.gz KVJXJWQQZNYNDM-UHFFFAOYSA-N 0 0 496.057 6.922 40 0 JKABRN Cc1ccccc1C(=O)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 ZINC000022755638 555953723 /nfs/dbraw/zinc/95/37/23/555953723.db2.gz RYSDMQBETCPGSA-UHFFFAOYSA-N 0 0 495.879 5.923 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000022755757 555953741 /nfs/dbraw/zinc/95/37/41/555953741.db2.gz XHICYKWRXZNKBS-UHFFFAOYSA-N 0 0 496.057 6.922 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(I)cc4)c3)nc2c1 ZINC000022755890 555954119 /nfs/dbraw/zinc/95/41/19/555954119.db2.gz VDAHQOCCLMOSIU-OAHLLOKOSA-N 0 0 496.348 6.865 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C(C)(C)C)C4)o2)cc1Cl ZINC000022757465 555954383 /nfs/dbraw/zinc/95/43/83/555954383.db2.gz NWPLMEVGUCWHCE-KQPPXVQYSA-N 0 0 497.060 6.872 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(Cl)c2Cl)cc1 ZINC000022757568 555954391 /nfs/dbraw/zinc/95/43/91/555954391.db2.gz XBVHJUWQQCIREF-UHFFFAOYSA-N 0 0 497.205 7.324 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cc(Cl)cc(Cl)c3OC)cc2s1 ZINC000022757773 555954715 /nfs/dbraw/zinc/95/47/15/555954715.db2.gz RFSGFUDZXAMGOL-UHFFFAOYSA-N 0 0 497.429 5.477 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000022820610 555955382 /nfs/dbraw/zinc/95/53/82/555955382.db2.gz CVQDBJNASJINSP-UHFFFAOYSA-N 0 0 499.592 5.142 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000022821153 555955408 /nfs/dbraw/zinc/95/54/08/555955408.db2.gz KXDPPCHZIIHONH-WOJGMQOQSA-N 0 0 499.680 6.886 40 0 JKABRN CC(C)c1ccc2c(c1)[C@@]1(C)CCC[C@@](C)(CNC(=O)c3sc4ccccc4c3Cl)[C@@H]1CC2 ZINC000012401752 555976000 /nfs/dbraw/zinc/97/60/00/555976000.db2.gz KJZLUKGAQLRODD-RVVSJWLRSA-N 0 0 480.117 8.118 40 0 JKABRN COc1cc(-c2nc3sc(-c4ccc(OC(C)C)c(OC)c4)nc3s2)ccc1OC(C)C 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Cc1cccc2cc(CN(C(=O)c3sc4cc(F)ccc4c3Cl)C3CCCCC3)c(=O)[nH]c12 ZINC000012643644 556096770 /nfs/dbraw/zinc/09/67/70/556096770.db2.gz GVNHZPILNOVJFK-UHFFFAOYSA-N 0 0 483.008 6.819 40 0 JKABRN COc1ccc2cc(CN(Cc3ccc(C)cc3)C(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1 ZINC000012644771 556097196 /nfs/dbraw/zinc/09/71/96/556097196.db2.gz YAGAPRKQBLNRKK-UHFFFAOYSA-N 0 0 468.597 5.985 40 0 JKABRN Cc1ccc(C)c(N(C(=O)c2cnn(C(C)C)c2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000012644986 556097374 /nfs/dbraw/zinc/09/73/74/556097374.db2.gz SGPHRUUHODVESU-AREMUKBSSA-N 0 0 458.606 5.528 40 0 JKABRN COc1ccc(-c2c/c(=N/c3ccc(C(=O)NCc4ccccc4)cc3)c3cc(C)ccc3o2)cc1 ZINC000012645109 556097382 /nfs/dbraw/zinc/09/73/82/556097382.db2.gz GIIQYPCZZYSAEY-MDVFONAFSA-N 0 0 474.560 6.579 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)c3ccc(Cl)cc3)cc2c1 ZINC000012644983 556097397 /nfs/dbraw/zinc/09/73/97/556097397.db2.gz LQBQPILHMUNPRX-UHFFFAOYSA-N 0 0 467.352 5.686 40 0 JKABRN CC(C)n1cc(C(=O)N([C@H](C(=O)NC2CCCCC2)c2ccccc2)C2CCCCC2)cn1 ZINC000012645010 556097494 /nfs/dbraw/zinc/09/74/94/556097494.db2.gz LJMMKOXJHQBDMB-VWLOTQADSA-N 0 0 450.627 5.429 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2cc(C)ccc2C)[C@H](C(=O)NC(C)(C)C)c2ccncc2)s1 ZINC000012645568 556097800 /nfs/dbraw/zinc/09/78/00/556097800.db2.gz KHHCZLSKMWXPEL-NRFANRHFSA-N 0 0 450.608 5.075 40 0 JKABRN C[C@H]1[C@H](NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)CCC[C@@H]1C ZINC000012653313 556098370 /nfs/dbraw/zinc/09/83/70/556098370.db2.gz PPLHKITUTHCKBG-RZQQEMMASA-N 0 0 456.562 5.246 40 0 JKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000012654601 556098787 /nfs/dbraw/zinc/09/87/87/556098787.db2.gz PBWOIPCULUXTNY-AEDDHQTMSA-N 0 0 456.755 8.596 40 0 biogenic JKABRN Fc1ccc(Cn2c(-c3ccc(OC(F)F)cc3)cs/c2=N\c2ccccc2Cl)cc1 ZINC000015980213 556099269 /nfs/dbraw/zinc/09/92/69/556099269.db2.gz QAOLZSHKJHFAPB-NFFVHWSESA-N 0 0 460.908 6.891 40 0 JKABRN O=C(/N=c1/scc(-c2ccc(-c3ccccc3)cc2)n1CCc1ccccc1)c1ccccc1 ZINC000012658729 556099851 /nfs/dbraw/zinc/09/98/51/556099851.db2.gz IQPOHCXVSSMELB-NVQSTNCTSA-N 0 0 460.602 6.867 40 0 JKABRN COc1ccc(C(=O)N(Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC ZINC000012702047 556103038 /nfs/dbraw/zinc/10/30/38/556103038.db2.gz DNELOOQLUAIGEV-AREMUKBSSA-N 0 0 492.641 5.516 40 0 JKABRN COc1ccc(C(=O)N(Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1OC ZINC000012703852 556103138 /nfs/dbraw/zinc/10/31/38/556103138.db2.gz AZMTUJDQLSFVHR-DEOSSOPVSA-N 0 0 482.602 5.109 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C ZINC000012704243 556103167 /nfs/dbraw/zinc/10/31/67/556103167.db2.gz GFXHJHUVJCJLKN-UHFFFAOYSA-N 0 0 480.395 6.686 40 0 JKABRN COc1ccc(C(=O)N(Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000012704305 556103183 /nfs/dbraw/zinc/10/31/83/556103183.db2.gz OVZWYRCWRQUCDH-HSZRJFAPSA-N 0 0 484.643 5.269 40 0 JKABRN Cc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C ZINC000012704140 556103216 /nfs/dbraw/zinc/10/32/16/556103216.db2.gz AZSVCHSHXGRPGO-UHFFFAOYSA-N 0 0 459.977 6.075 40 0 JKABRN Cc1cccc(CCN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=O)Nc2ccccc2Cl)c1 ZINC000012706324 556103724 /nfs/dbraw/zinc/10/37/24/556103724.db2.gz KYZIFZZIHQXKRM-UHFFFAOYSA-N 0 0 474.004 6.384 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000012707001 556103756 /nfs/dbraw/zinc/10/37/56/556103756.db2.gz KWKVYZAZIATUBP-UHFFFAOYSA-N 0 0 480.395 6.632 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000012707164 556103759 /nfs/dbraw/zinc/10/37/59/556103759.db2.gz MAVZEXMHKWANCA-UHFFFAOYSA-N 0 0 463.940 6.117 40 0 JKABRN COc1ccc2c(c1)C(c1ccc(OCc3ccccc3)c(OC)c1)=NNC(c1cccnc1)=N2 ZINC000012707492 556103800 /nfs/dbraw/zinc/10/38/00/556103800.db2.gz USOBALJBZOBQDO-UHFFFAOYSA-N 0 0 464.525 5.112 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000012706936 556103807 /nfs/dbraw/zinc/10/38/07/556103807.db2.gz BGNZZISYSVQTGI-UHFFFAOYSA-N 0 0 474.004 6.329 40 0 JKABRN CCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(Br)cc32)cc1OCC ZINC000012707600 556104120 /nfs/dbraw/zinc/10/41/20/556104120.db2.gz UVEWGXKLHRIFHQ-UHFFFAOYSA-N 0 0 470.392 5.742 40 0 JKABRN COc1cc(C2=NNC(c3cccnc3)=Nc3ccc(F)cc32)ccc1OCc1ccccc1 ZINC000012707533 556104136 /nfs/dbraw/zinc/10/41/36/556104136.db2.gz BRBZMDPGQJDSSK-UHFFFAOYSA-N 0 0 452.489 5.242 40 0 JKABRN CCOc1ccc(C2=NNC(c3ccc(CC)cc3)=Nc3ccc(Br)cc32)cc1OCC ZINC000012707566 556104148 /nfs/dbraw/zinc/10/41/48/556104148.db2.gz IGCLHKISDZTBDM-UHFFFAOYSA-N 0 0 492.417 6.243 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)NC3CCCCC3)cc2c1 ZINC000012708873 556104156 /nfs/dbraw/zinc/10/41/56/556104156.db2.gz SOKUPNYZIOQKOV-UHFFFAOYSA-N 0 0 467.997 5.625 40 0 JKABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000012711605 556104437 /nfs/dbraw/zinc/10/44/37/556104437.db2.gz OKOIMMILMKXTSL-UHFFFAOYSA-N 0 0 466.368 6.378 40 0 JKABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000012711700 556104442 /nfs/dbraw/zinc/10/44/42/556104442.db2.gz DJFKOFJYYRYTQZ-UHFFFAOYSA-N 0 0 466.368 6.378 40 0 JKABRN COc1ccccc1NC(=O)N(Cc1ccccc1Cl)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012711058 556104469 /nfs/dbraw/zinc/10/44/69/556104469.db2.gz FFZUTXSSNJATEH-UHFFFAOYSA-N 0 0 491.931 5.153 40 0 JKABRN O=C(Nc1ccccc1Cl)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012710921 556104494 /nfs/dbraw/zinc/10/44/94/556104494.db2.gz JODOMQZWZLSZLU-UHFFFAOYSA-N 0 0 475.932 5.187 40 0 JKABRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000012711579 556104508 /nfs/dbraw/zinc/10/45/08/556104508.db2.gz SRVUZVOKQKVKKE-UHFFFAOYSA-N 0 0 485.012 6.805 40 0 JKABRN Cc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n(CC(=O)N3CCCCC3)n2)cc1 ZINC000012712221 556104516 /nfs/dbraw/zinc/10/45/16/556104516.db2.gz LTSSOYXFUMDKGC-UHFFFAOYSA-N 0 0 479.584 5.185 40 0 JKABRN O=C(Nc1ccc(-c2nc(-c3ccccc3)n(Cc3ccc(F)cc3)n2)cc1)c1ccc(F)cc1 ZINC000012712257 556104712 /nfs/dbraw/zinc/10/47/12/556104712.db2.gz GQLNZUSEYFWBJW-UHFFFAOYSA-N 0 0 466.491 6.191 40 0 JKABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccc(C)cc1 ZINC000012712747 556104722 /nfs/dbraw/zinc/10/47/22/556104722.db2.gz SRFIHAWJYNYEET-GDLZYMKVSA-N 0 0 497.643 5.239 40 0 JKABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2C)cc1 ZINC000012712732 556104764 /nfs/dbraw/zinc/10/47/64/556104764.db2.gz MBEVUNOXWJBVGN-LJAQVGFWSA-N 0 0 497.643 5.293 40 0 JKABRN O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc21)Nc1cccc(C(F)(F)F)c1 ZINC000012716328 556105154 /nfs/dbraw/zinc/10/51/54/556105154.db2.gz IONXKFWSOGUAFM-UHFFFAOYSA-N 0 0 475.442 6.325 40 0 JKABRN Cc1cccc(N(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000012715402 556105160 /nfs/dbraw/zinc/10/51/60/556105160.db2.gz VOXLHXAGBZHKJS-HHHXNRCGSA-N 0 0 483.587 6.432 40 0 JKABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000012716484 556105207 /nfs/dbraw/zinc/10/52/07/556105207.db2.gz QKRJTQGJVMBWID-RUZDIDTESA-N 0 0 466.672 5.614 40 0 JKABRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N(C)C12CC3CC(CC(C3)C1)C2 ZINC000012844434 556117126 /nfs/dbraw/zinc/11/71/26/556117126.db2.gz LGRJXEVZVPJOQP-LJQCHSNASA-N 0 0 475.580 6.070 40 0 JKABRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccccc1C(F)(F)F ZINC000012844822 556117512 /nfs/dbraw/zinc/11/75/12/556117512.db2.gz NIWADHDALBOLIS-LBPRGKRZSA-N 0 0 471.426 6.301 40 0 JKABRN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000012849608 556117804 /nfs/dbraw/zinc/11/78/04/556117804.db2.gz YDVNMNSWBQCLNS-PHIMTYICSA-N 0 0 487.345 5.642 40 0 JKABRN COC(=O)[C@]12CC[C@@H](C(C)=O)[C@@H]1[C@H]1CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000012863446 556119977 /nfs/dbraw/zinc/11/99/77/556119977.db2.gz NPQIEWBHYLCYHS-ZJGFXEOGSA-N 0 0 470.694 6.399 40 0 biogenic JKABRN O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 ZINC000012871222 556121137 /nfs/dbraw/zinc/12/11/37/556121137.db2.gz FKJHWCZXHJSPBK-SANMLTNESA-N 0 0 497.624 5.437 40 0 JKABRN CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000012871422 556121230 /nfs/dbraw/zinc/12/12/30/556121230.db2.gz XSQYWMLMQVUWSF-FEDWKDCGSA-N 0 0 458.727 6.949 40 0 JKABRN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000016138869 556127233 /nfs/dbraw/zinc/12/72/33/556127233.db2.gz OAVRPTHWCMOZTH-QFIPXVFZSA-N 0 0 454.755 6.030 40 0 JKABRN CCOc1cc(/C=C2/S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccccc1F ZINC000016161942 556127453 /nfs/dbraw/zinc/12/74/53/556127453.db2.gz TUZYYYIQFJYNPC-QTTRZTASSA-N 0 0 478.589 5.965 40 0 JKABRN CCc1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016161760 556127460 /nfs/dbraw/zinc/12/74/60/556127460.db2.gz IZLNKUASCDVKHZ-UHFFFAOYSA-N 0 0 472.994 5.053 40 0 JKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1 ZINC000016161948 556127471 /nfs/dbraw/zinc/12/74/71/556127471.db2.gz GCAXAOKVTQVTJZ-WVWKGNOCSA-N 0 0 455.377 5.871 40 0 JKABRN CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccccc1F ZINC000016161898 556127510 /nfs/dbraw/zinc/12/75/10/556127510.db2.gz TUZYYYIQFJYNPC-ZGOFBEGVSA-N 0 0 478.589 5.965 40 0 JKABRN CCc1cccc(CC)c1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000016162329 556127705 /nfs/dbraw/zinc/12/77/05/556127705.db2.gz KEEGSZKXKKIFJG-UHFFFAOYSA-N 0 0 471.022 5.607 40 0 JKABRN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016188052 556128295 /nfs/dbraw/zinc/12/82/95/556128295.db2.gz KONFZVSEJAJZFR-UHFFFAOYSA-N 0 0 457.766 5.059 40 0 JKABRN CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016188150 556128333 /nfs/dbraw/zinc/12/83/33/556128333.db2.gz JUNMSURGXHTLJM-UHFFFAOYSA-N 0 0 480.973 5.545 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000016194592 556128646 /nfs/dbraw/zinc/12/86/46/556128646.db2.gz ZKPXDJRLZFVCIJ-CMDGGOBGSA-N 0 0 455.366 6.931 40 0 JKABRN COc1cc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC ZINC000016195234 556128900 /nfs/dbraw/zinc/12/89/00/556128900.db2.gz RQXWYULZAOWJAA-UHFFFAOYSA-N 0 0 475.328 5.524 40 0 JKABRN COc1cc(-c2nc(SC(=O)c3ccc(Cl)cc3)nc3c2CCCC3)cc(OC)c1OC ZINC000016195280 556128951 /nfs/dbraw/zinc/12/89/51/556128951.db2.gz QOVAZZRVYCEDKX-UHFFFAOYSA-N 0 0 470.978 5.634 40 0 JKABRN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1Br ZINC000016226614 556129877 /nfs/dbraw/zinc/12/98/77/556129877.db2.gz LPOSVNWZIRWGRI-UHFFFAOYSA-N 0 0 457.290 5.719 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccco4)ccc3o2)cc1Br ZINC000016226757 556130179 /nfs/dbraw/zinc/13/01/79/556130179.db2.gz KFDCBSIWVVQRPS-RMKNXTFCSA-N 0 0 498.358 5.385 40 0 JKABRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1Br ZINC000016226710 556130183 /nfs/dbraw/zinc/13/01/83/556130183.db2.gz GGPZWKFHFIZGSK-UHFFFAOYSA-N 0 0 465.756 5.498 40 0 JKABRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccc(F)cc2)cc1OC ZINC000016227296 556130198 /nfs/dbraw/zinc/13/01/98/556130198.db2.gz LTKZSCNZUJGMMA-JOCHJYFZSA-N 0 0 480.536 5.234 40 0 JKABRN COc1ccc2[nH]c(SCc3ccccc3CSc3nc4cc(OC)ccc4[nH]3)nc2c1 ZINC000016227790 556130499 /nfs/dbraw/zinc/13/04/99/556130499.db2.gz NUKKXISSKGSXDX-UHFFFAOYSA-N 0 0 462.600 6.041 40 0 JKABRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000016237667 556130831 /nfs/dbraw/zinc/13/08/31/556130831.db2.gz NEEBPMCWJIUADX-UHFFFAOYSA-N 0 0 470.422 5.436 40 0 JKABRN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1 ZINC000016266648 556131653 /nfs/dbraw/zinc/13/16/53/556131653.db2.gz ZKRBELSWLWCHLC-UHFFFAOYSA-N 0 0 477.549 5.755 40 0 JKABRN Cc1cc(OCC(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc(C)c1Cl ZINC000016269403 556131982 /nfs/dbraw/zinc/13/19/82/556131982.db2.gz JMMPMPKYSKFBKC-UHFFFAOYSA-N 0 0 498.029 5.831 40 0 JKABRN Cc1cc(Cl)cc(C(=O)CCCCCCCCC(=O)c2cc(Cl)cc(C)c2O)c1O ZINC000016269573 556132009 /nfs/dbraw/zinc/13/20/09/556132009.db2.gz MERMKAYYOIQMDL-UHFFFAOYSA-N 0 0 451.390 7.208 40 0 JKABRN Cc1cc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc2c1C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000016282031 556132167 /nfs/dbraw/zinc/13/21/67/556132167.db2.gz UIZDEHLYXXWMFT-IBGZPJMESA-N 0 0 479.319 5.150 40 0 JKABRN Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1N1CCCCC1 ZINC000016282007 556132257 /nfs/dbraw/zinc/13/22/57/556132257.db2.gz YDCYMEJVDGGMNY-UHFFFAOYSA-N 0 0 482.216 5.528 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)NC[C@H]1CCC[C@H](CNC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000016282570 556132504 /nfs/dbraw/zinc/13/25/04/556132504.db2.gz WZPZSTGUSOJIMA-ROUUACIJSA-N 0 0 477.436 6.360 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 ZINC000016283130 556132508 /nfs/dbraw/zinc/13/25/08/556132508.db2.gz KIDJLCSEYYIJNW-UHFFFAOYSA-N 0 0 455.004 6.568 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000016284227 556132751 /nfs/dbraw/zinc/13/27/51/556132751.db2.gz FMCBLDASAVTBAK-ZZXKWVIFSA-N 0 0 496.839 5.556 40 0 JKABRN Cc1cc(OC(=O)c2ccc(C(=O)Oc3cn(-c4ccccc4)nc3C)cc2)n(-c2ccccc2)n1 ZINC000016283372 556132785 /nfs/dbraw/zinc/13/27/85/556132785.db2.gz OKVFPRMLDWZGBC-UHFFFAOYSA-N 0 0 478.508 5.113 40 0 JKABRN COc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1Br ZINC000016284412 556132976 /nfs/dbraw/zinc/13/29/76/556132976.db2.gz QDZPZELTDNKRRJ-UHFFFAOYSA-N 0 0 487.357 5.906 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)nc2cc1Cl ZINC000016284317 556132983 /nfs/dbraw/zinc/13/29/83/556132983.db2.gz KWJHGIPNHNAKBB-UHFFFAOYSA-N 0 0 468.003 5.964 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1sc2ccccc2c1Cl ZINC000016284381 556132989 /nfs/dbraw/zinc/13/29/89/556132989.db2.gz JLJMTTZRWPUGPA-UHFFFAOYSA-N 0 0 468.969 7.003 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cc(Br)ccc1Cl ZINC000016284395 556133010 /nfs/dbraw/zinc/13/30/10/556133010.db2.gz WMOGPFQDLCOUIT-UHFFFAOYSA-N 0 0 491.776 6.550 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1 ZINC000016284335 556133079 /nfs/dbraw/zinc/13/30/79/556133079.db2.gz ZHTXCNNLFXCCOV-RUDMXATFSA-N 0 0 483.355 5.705 40 0 JKABRN COc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000016284554 556133214 /nfs/dbraw/zinc/13/32/14/556133214.db2.gz FGGAGUWSGFOQIO-UHFFFAOYSA-N 0 0 467.554 5.018 40 0 JKABRN Cc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000016284941 556133274 /nfs/dbraw/zinc/13/32/74/556133274.db2.gz SQTBGGKEFNDPOR-UHFFFAOYSA-N 0 0 496.938 5.810 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3nc4ccccc4c(N[C@H](C)c4ccccc4)n3)CC2)cc1 ZINC000016291932 556133568 /nfs/dbraw/zinc/13/35/68/556133568.db2.gz NPCZSIXVAULXBJ-OAQYLSRUSA-N 0 0 451.574 5.074 40 0 JKABRN CC(=O)C1=NN(c2ccccc2)[C@@]2(S1)c1ccccc1C(c1ccc(C)cc1)=NN2c1ccccc1 ZINC000016292174 556133578 /nfs/dbraw/zinc/13/35/78/556133578.db2.gz CMEBJZDRRDAVRA-SSEXGKCCSA-N 0 0 488.616 6.534 40 0 JKABRN Cc1ccc(C(=O)C[C@@H](Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000016291832 556133595 /nfs/dbraw/zinc/13/35/95/556133595.db2.gz BVTJPGHQZNYVGF-JOCHJYFZSA-N 0 0 468.462 8.139 40 0 JKABRN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3)c2)cc1 ZINC000016292055 556133613 /nfs/dbraw/zinc/13/36/13/556133613.db2.gz MZUFJZMZBUBZSZ-UHFFFAOYSA-N 0 0 484.577 5.641 40 0 JKABRN Cc1ccc(OCC(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)c(C)c1 ZINC000016285011 556133621 /nfs/dbraw/zinc/13/36/21/556133621.db2.gz LHAATNYIOADPSR-UHFFFAOYSA-N 0 0 476.421 5.081 40 0 JKABRN Cc1ccc(C(=O)Oc2ccc(C(=O)COc3ccc(C)cc3-n3nc4ccccc4n3)cc2)cc1 ZINC000016292078 556133637 /nfs/dbraw/zinc/13/36/37/556133637.db2.gz KREYDKHARRKMRN-UHFFFAOYSA-N 0 0 477.520 5.518 40 0 JKABRN COc1ccc(C(=O)COC(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1Br ZINC000024522624 556133680 /nfs/dbraw/zinc/13/36/80/556133680.db2.gz AXBKCIGXSBUNPT-UHFFFAOYSA-N 0 0 493.313 5.214 40 0 JKABRN Cc1ccc(NC(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000016293079 556133932 /nfs/dbraw/zinc/13/39/32/556133932.db2.gz IXMLXUJQQZLILY-UHFFFAOYSA-N 0 0 458.606 6.417 40 0 JKABRN Cc1ccc(NC(=O)Nc2ccc(N(C(=O)Nc3ccc(C)cc3)c3ccccc3)cc2)cc1 ZINC000016293102 556133957 /nfs/dbraw/zinc/13/39/57/556133957.db2.gz AAVKUFBMNRBGAK-UHFFFAOYSA-N 0 0 450.542 7.318 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 ZINC000016293412 556134269 /nfs/dbraw/zinc/13/42/69/556134269.db2.gz YCOADTGPNBTFCR-UHFFFAOYSA-N 0 0 465.358 5.120 40 0 JKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Br)c(C)c4)nc3c2)cc1 ZINC000016293595 556134275 /nfs/dbraw/zinc/13/42/75/556134275.db2.gz KNGQDAYQROHGOP-UHFFFAOYSA-N 0 0 451.320 5.892 40 0 JKABRN CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@]12C(c1ccccc1)[C@@]21C(C)=NN(c2ccc(C)c(C)c2)C1=O ZINC000016312296 556134881 /nfs/dbraw/zinc/13/48/81/556134881.db2.gz MYLNLLXDVUNJGP-PGSZONDNSA-N 0 0 490.607 5.836 40 0 JKABRN Cc1ccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3ccc(C)c(Cl)c3)C2)cc1Cl ZINC000016312991 556134896 /nfs/dbraw/zinc/13/48/96/556134896.db2.gz DKEXXOXITNUUNW-ROUUACIJSA-N 0 0 477.436 6.360 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(OCc4ccccc4)c3)c2)cc1 ZINC000016323166 556135412 /nfs/dbraw/zinc/13/54/12/556135412.db2.gz CJRABPUGPMFXOH-UHFFFAOYSA-N 0 0 478.592 7.068 40 0 JKABRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000016322922 556135414 /nfs/dbraw/zinc/13/54/14/556135414.db2.gz GGPPBSVNQHKOQL-ZETCQYMHSA-N 0 0 463.572 6.259 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)c2)cc1 ZINC000016323133 556135417 /nfs/dbraw/zinc/13/54/17/556135417.db2.gz XLJFBEDLSUJSNX-FBMGVBCBSA-N 0 0 499.010 7.802 40 0 JKABRN CC(C)(C)c1cc(CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000016323015 556135423 /nfs/dbraw/zinc/13/54/23/556135423.db2.gz WDADBLVKSMBMAN-UHFFFAOYSA-N 0 0 456.736 8.580 40 0 JKABRN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000016322983 556135465 /nfs/dbraw/zinc/13/54/65/556135465.db2.gz BDYIMRIKBXFCBT-UHFFFAOYSA-N 0 0 476.223 5.886 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(-c5ccncc5)nc4c3)o2)cc1Cl ZINC000016346735 556135695 /nfs/dbraw/zinc/13/56/95/556135695.db2.gz LYHZTKUMHSCXMJ-RMKNXTFCSA-N 0 0 455.901 6.764 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4nc5cc(Cl)ccc5o4)cc3)o2)cc1Cl ZINC000016346659 556135776 /nfs/dbraw/zinc/13/57/76/556135776.db2.gz WKLXWHMCIQEVJG-JLHYYAGUSA-N 0 0 489.358 8.022 40 0 JKABRN CSc1ccc(COC(=O)Nc2ccc(C)c(NC(=O)OCc3ccc(SC)cc3)c2)cc1 ZINC000016347542 556135970 /nfs/dbraw/zinc/13/59/70/556135970.db2.gz LCXJMVSFWMVJAY-UHFFFAOYSA-N 0 0 482.627 6.936 40 0 JKABRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000016347612 556135994 /nfs/dbraw/zinc/13/59/94/556135994.db2.gz TXSQYWKYBLCLCS-UHFFFAOYSA-N 0 0 464.308 7.017 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(-c4nc5ncccc5o4)c3)o2)cc1Cl ZINC000016346771 556135997 /nfs/dbraw/zinc/13/59/97/556135997.db2.gz HBTSPBACIKNURS-ZRDIBKRKSA-N 0 0 455.901 6.764 40 0 JKABRN Cc1ccc2cc([C@@H]3CC(c4cccs4)=NN3S(=O)(=O)c3ccccc3)c(Cl)nc2c1 ZINC000016348832 556136290 /nfs/dbraw/zinc/13/62/90/556136290.db2.gz LDKUQCJRSVQXQI-NRFANRHFSA-N 0 0 468.003 5.798 40 0 JKABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3)oc2c1 ZINC000016348603 556136350 /nfs/dbraw/zinc/13/63/50/556136350.db2.gz ZISGGFYIYRLAOM-UHFFFAOYSA-N 0 0 467.377 7.255 40 0 JKABRN COc1cccc(CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1OCc1ccccc1F ZINC000016348777 556136397 /nfs/dbraw/zinc/13/63/97/556136397.db2.gz DBPQBQAAKTXXKL-UHFFFAOYSA-N 0 0 484.596 7.611 40 0 JKABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3)oc2c1 ZINC000016348634 556136400 /nfs/dbraw/zinc/13/64/00/556136400.db2.gz KWXFGSNOTRECCX-UHFFFAOYSA-N 0 0 487.353 6.756 40 0 JKABRN Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000016363028 556136580 /nfs/dbraw/zinc/13/65/80/556136580.db2.gz IQAQHJWUGUSWTG-UHFFFAOYSA-N 0 0 491.460 5.035 40 0 JKABRN O=C(CCCCC(=O)NCc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1Cl ZINC000016384947 556136949 /nfs/dbraw/zinc/13/69/49/556136949.db2.gz ZIQHAHOUNAAXGA-UHFFFAOYSA-N 0 0 462.204 5.793 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016399423 556137482 /nfs/dbraw/zinc/13/74/82/556137482.db2.gz RLPDSZFWQOCYRH-UHFFFAOYSA-N 0 0 474.929 5.930 40 0 JKABRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C(=O)N1c1cc(F)cc(F)c1 ZINC000016400575 556137835 /nfs/dbraw/zinc/13/78/35/556137835.db2.gz AQTLSYSIEVDHAD-USXZWKKNSA-N 0 0 475.441 5.667 40 0 JKABRN CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C ZINC000016409522 556138529 /nfs/dbraw/zinc/13/85/29/556138529.db2.gz BANPQRFMZLEOAQ-RIYZIHGNSA-N 0 0 464.157 5.464 40 0 JKABRN COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1 ZINC000016408735 556138634 /nfs/dbraw/zinc/13/86/34/556138634.db2.gz FMRIDXQLTOMQAF-WOJGMQOQSA-N 0 0 481.321 5.721 40 0 JKABRN FC(F)(F)c1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1Cl ZINC000016429851 556138831 /nfs/dbraw/zinc/13/88/31/556138831.db2.gz CKGYXQNLTBBTPD-UHFFFAOYSA-N 0 0 459.646 5.494 40 0 JKABRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000016441128 556139181 /nfs/dbraw/zinc/13/91/81/556139181.db2.gz HFUQRWKHKDSYQH-KQWNVCNZSA-N 0 0 490.606 5.509 40 0 JKABRN COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000016439845 556139208 /nfs/dbraw/zinc/13/92/08/556139208.db2.gz PTSRDLZGFANGAH-GZTJUZNOSA-N 0 0 496.350 5.565 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)Nc1cccc2c(NC(=O)Nc3ccc(Cl)cc3)cccc12 ZINC000016431584 556139215 /nfs/dbraw/zinc/13/92/15/556139215.db2.gz FWVLPDZVTMFXGI-UHFFFAOYSA-N 0 0 465.340 7.435 40 0 JKABRN O=C(Nc1cccc(Cl)c1)Nc1cccc2cccc(NC(=O)Nc3cccc(Cl)c3)c21 ZINC000016431685 556139267 /nfs/dbraw/zinc/13/92/67/556139267.db2.gz PUTSHTLEIZCPQU-UHFFFAOYSA-N 0 0 465.340 7.435 40 0 JKABRN O=C(N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)OCc1ccccc1Cl ZINC000016449812 556139383 /nfs/dbraw/zinc/13/93/83/556139383.db2.gz XAELNXNEZOZYJE-CQSZACIVSA-N 0 0 487.008 6.137 40 0 JKABRN O=C(Nc1ccccc1Cl)c1cc(-c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc21 ZINC000016450394 556139443 /nfs/dbraw/zinc/13/94/43/556139443.db2.gz DBHQCKRWDXJLCJ-UHFFFAOYSA-N 0 0 451.309 6.232 40 0 JKABRN O=C(Nc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1)Nc1ccccc1C(F)(F)F ZINC000016449442 556139472 /nfs/dbraw/zinc/13/94/72/556139472.db2.gz WSHHNEGUUMCIRA-UHFFFAOYSA-N 0 0 482.384 7.012 40 0 JKABRN O=C(Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000016476770 556139790 /nfs/dbraw/zinc/13/97/90/556139790.db2.gz CSENYWIALGUCIL-UHFFFAOYSA-N 0 0 464.312 5.694 40 0 JKABRN Clc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2cccs2)cc1Cl ZINC000016478036 556140007 /nfs/dbraw/zinc/14/00/07/556140007.db2.gz UUMUFQXJHFRNRC-XMMPIXPASA-N 0 0 450.394 7.442 40 0 JKABRN O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 ZINC000016476840 556140067 /nfs/dbraw/zinc/14/00/67/556140067.db2.gz JCLMZOFSXVSJKG-UHFFFAOYSA-N 0 0 456.523 5.024 40 0 JKABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000016479202 556140330 /nfs/dbraw/zinc/14/03/30/556140330.db2.gz MMTGHJNMEBIEGC-UHFFFAOYSA-N 0 0 496.938 5.231 40 0 JKABRN O=c1c2cn(Cc3ccccc3)nc2nc(SCc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000016487695 556140628 /nfs/dbraw/zinc/14/06/28/556140628.db2.gz VKLIKDYNTQDZPX-UHFFFAOYSA-N 0 0 458.974 5.576 40 0 JKABRN O=S(=O)(Nc1ccc(N(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000016487852 556140640 /nfs/dbraw/zinc/14/06/40/556140640.db2.gz DVIPLEQQEDCBCK-UHFFFAOYSA-N 0 0 464.568 5.014 40 0 JKABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000016491393 556140875 /nfs/dbraw/zinc/14/08/75/556140875.db2.gz IIGRXBUSGCWPFL-UHFFFAOYSA-N 0 0 474.932 5.321 40 0 JKABRN O=C(Nc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1)c1cccc(Br)c1 ZINC000016490805 556140880 /nfs/dbraw/zinc/14/08/80/556140880.db2.gz QEHYRHSIDOQQEC-UHFFFAOYSA-N 0 0 460.327 7.286 40 0 JKABRN O=S(=O)(Nc1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000016491532 556140941 /nfs/dbraw/zinc/14/09/41/556140941.db2.gz UCFCAAJTGJOZQR-UHFFFAOYSA-N 0 0 496.635 5.439 40 0 JKABRN O=C(c1noc(-c2ccccc2)c1S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000016491791 556140953 /nfs/dbraw/zinc/14/09/53/556140953.db2.gz RIZIGEJDKKHLSH-UHFFFAOYSA-N 0 0 468.328 5.168 40 0 JKABRN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)N1c2ccccc2Sc2ccccc21 ZINC000016492517 556141234 /nfs/dbraw/zinc/14/12/34/556141234.db2.gz FAHHGVSAIFBSMX-UHFFFAOYSA-N 0 0 477.614 7.218 40 0 JKABRN S=C(Nc1ccccc1)Nc1nc(NC(=S)Nc2ccccc2)nc(-c2ccccc2)n1 ZINC000016493443 556141504 /nfs/dbraw/zinc/14/15/04/556141504.db2.gz RCOQWBMCGFUDNH-UHFFFAOYSA-N 0 0 457.588 5.156 40 0 JKABRN c1ccc(-c2ccc(-n3nnnc3CC3N(c4ccccc4)CCN3c3ccccc3)cc2)cc1 ZINC000016493219 556141512 /nfs/dbraw/zinc/14/15/12/556141512.db2.gz YXPXPWOXQQJKPR-UHFFFAOYSA-N 0 0 458.569 5.225 40 0 JKABRN O=C(Nc1nc(NC(=O)Nc2ccccc2F)nc(-c2ccccc2)n1)Nc1ccccc1F ZINC000016493431 556141519 /nfs/dbraw/zinc/14/15/19/556141519.db2.gz JJCAKQKTZUAVBE-UHFFFAOYSA-N 0 0 461.432 5.105 40 0 JKABRN c1ccc(C2=NN(c3cc(N4CCOCC4)nc(-c4ccccc4)n3)[C@H](c3ccccc3)C2)cc1 ZINC000016493406 556141522 /nfs/dbraw/zinc/14/15/22/556141522.db2.gz CMZMSJBFABMBKH-SANMLTNESA-N 0 0 461.569 5.336 40 0 JKABRN O=C(Nc1nc(NC(=O)c2ccccc2Cl)nc(-c2ccccc2)n1)c1ccccc1Cl ZINC000016493439 556141546 /nfs/dbraw/zinc/14/15/46/556141546.db2.gz XJFCCDIAFKEEQY-UHFFFAOYSA-N 0 0 464.312 5.350 40 0 JKABRN FC(F)(F)c1cccc(-c2c(-c3nnnn3-c3ccccc3)cnn2-c2cccc(Cl)c2)c1 ZINC000016523953 556141849 /nfs/dbraw/zinc/14/18/49/556141849.db2.gz XFHBDSYXXHVVMP-UHFFFAOYSA-N 0 0 466.854 5.854 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Br)cc1 ZINC000016525153 556142080 /nfs/dbraw/zinc/14/20/80/556142080.db2.gz HEMRCEFCYQSDFC-UHFFFAOYSA-N 0 0 451.349 5.119 40 0 JKABRN O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)Nc1nc2ccccc2s1 ZINC000016525663 556142085 /nfs/dbraw/zinc/14/20/85/556142085.db2.gz TYYGUBMFNKSDBA-UHFFFAOYSA-N 0 0 451.554 5.257 40 0 JKABRN O=C(Nc1cccc2ccccc21)N[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc2ccccc21 ZINC000016544938 556142659 /nfs/dbraw/zinc/14/26/59/556142659.db2.gz BZRKNFXSKFQTGQ-UIOOFZCWSA-N 0 0 452.558 6.247 40 0 JKABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2cccc3ccccc32)C1)Nc1cccc2ccccc21 ZINC000016544950 556142813 /nfs/dbraw/zinc/14/28/13/556142813.db2.gz YYOPKGFDJRELPV-VXKWHMMOSA-N 0 0 480.612 6.743 40 0 JKABRN O=C(NCc1ccc(CNC(=O)Nc2cccc3ccccc32)cc1)Nc1cccc2ccccc21 ZINC000016544963 556142833 /nfs/dbraw/zinc/14/28/33/556142833.db2.gz YABVROLYOZBHCB-UHFFFAOYSA-N 0 0 474.564 6.636 40 0 JKABRN O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)Nc1nc2ccccc2s1 ZINC000016545431 556143085 /nfs/dbraw/zinc/14/30/85/556143085.db2.gz JYZSMAHDQVNLSR-UHFFFAOYSA-N 0 0 463.462 5.323 40 0 JKABRN CC(C)Oc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3s2)cc1 ZINC000016575634 556144867 /nfs/dbraw/zinc/14/48/67/556144867.db2.gz PMCAVYXIIBXTLP-UHFFFAOYSA-N 0 0 489.597 6.375 40 0 JKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000016575811 556144917 /nfs/dbraw/zinc/14/49/17/556144917.db2.gz NRCALWIAVOWIMG-UHFFFAOYSA-N 0 0 465.578 6.898 40 0 JKABRN CC1(C)CC(NC(=O)Nc2cccc3ccccc32)CC(C)(C)N1C(=O)Nc1cccc2ccccc21 ZINC000016577750 556145671 /nfs/dbraw/zinc/14/56/71/556145671.db2.gz HBCIODOJMDHMGX-UHFFFAOYSA-N 0 0 494.639 7.368 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000016610527 556146114 /nfs/dbraw/zinc/14/61/14/556146114.db2.gz IIMXBXXCZFDYRD-LJQANCHMSA-N 0 0 464.569 6.413 40 0 JKABRN CCC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000016609931 556146183 /nfs/dbraw/zinc/14/61/83/556146183.db2.gz XMQQIQMNUZPNMX-ACCUITESSA-N 0 0 467.978 5.783 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000016609317 556146188 /nfs/dbraw/zinc/14/61/88/556146188.db2.gz FDVQBVVDSUIDAF-UHFFFAOYSA-N 0 0 482.216 5.709 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)cc3)nc2c1 ZINC000016610649 556146409 /nfs/dbraw/zinc/14/64/09/556146409.db2.gz OIUMQLYQSSSGOT-MRXNPFEDSA-N 0 0 471.948 6.495 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5cc4OC)c3)nc2c1 ZINC000016610781 556146640 /nfs/dbraw/zinc/14/66/40/556146640.db2.gz IDYGULJBJTXVBS-GOSISDBHSA-N 0 0 450.538 7.422 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OCc5ccccc5)cc4)c3)nc2c1 ZINC000016610843 556146696 /nfs/dbraw/zinc/14/66/96/556146696.db2.gz PSHGKFDLLMMGIC-NRFANRHFSA-N 0 0 476.576 7.840 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nc2c1 ZINC000016610711 556146720 /nfs/dbraw/zinc/14/67/20/556146720.db2.gz AYHXGJLENMLUMY-LJQANCHMSA-N 0 0 456.586 7.323 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc5ccccc5c4)c3)nc2c1 ZINC000016610741 556146729 /nfs/dbraw/zinc/14/67/29/556146729.db2.gz FILXNFHPSQHORE-LJQANCHMSA-N 0 0 450.538 7.179 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OCc5ccccc5)c4)c3)nc2c1 ZINC000016610900 556146915 /nfs/dbraw/zinc/14/69/15/556146915.db2.gz CMTKVHFLOUMYOU-OAQYLSRUSA-N 0 0 476.576 7.840 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4cc(C)cc(C)c4)c3)nc2c1 ZINC000016610959 556146932 /nfs/dbraw/zinc/14/69/32/556146932.db2.gz PJWAGWGDKHBSAH-LJQANCHMSA-N 0 0 487.625 6.517 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 ZINC000016610866 556146973 /nfs/dbraw/zinc/14/69/73/556146973.db2.gz PARGAUUHGDSYKX-QGZVFWFLSA-N 0 0 470.956 8.174 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc(C)cc4)c3)nc2c1 ZINC000016610981 556146988 /nfs/dbraw/zinc/14/69/88/556146988.db2.gz JPBWCLRIPGAJME-SFHVURJKSA-N 0 0 473.598 6.209 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4I)c3)nc2c1 ZINC000016610917 556146993 /nfs/dbraw/zinc/14/69/93/556146993.db2.gz MRZWTGZIRZPOHA-OAHLLOKOSA-N 0 0 496.348 6.865 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)c3)nc2c1 ZINC000016610870 556147021 /nfs/dbraw/zinc/14/70/21/556147021.db2.gz BFKLZWUOOWERMJ-QGZVFWFLSA-N 0 0 470.956 8.174 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4)c3)nc2c1 ZINC000016611016 556147230 /nfs/dbraw/zinc/14/72/30/556147230.db2.gz NZKBYFKMUTVGNV-KRWDZBQOSA-N 0 0 459.571 5.900 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)cc4)c3)nc2c1 ZINC000016611136 556147471 /nfs/dbraw/zinc/14/74/71/556147471.db2.gz PWJMBXNDMJSTOV-MRXNPFEDSA-N 0 0 459.571 6.144 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc5ccccc54)c3)nc2c1 ZINC000016611237 556147719 /nfs/dbraw/zinc/14/77/19/556147719.db2.gz DEBJHTFIQHKPCF-GOSISDBHSA-N 0 0 479.605 7.288 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(OC)c4)c3)nc2c1 ZINC000016611201 556147756 /nfs/dbraw/zinc/14/77/56/556147756.db2.gz WOQUASSYQVXQIZ-INIZCTEOSA-N 0 0 459.571 6.144 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc5ccccc54)c3)nc2c1 ZINC000016611238 556147769 /nfs/dbraw/zinc/14/77/69/556147769.db2.gz DEBJHTFIQHKPCF-SFHVURJKSA-N 0 0 479.605 7.288 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(Cl)c4)c3)nc2c1 ZINC000016611191 556147825 /nfs/dbraw/zinc/14/78/25/556147825.db2.gz FBTMYOQMMDLQKA-OAHLLOKOSA-N 0 0 463.990 6.789 40 0 JKABRN CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)cc2)CC1 ZINC000016636934 556148746 /nfs/dbraw/zinc/14/87/46/556148746.db2.gz DHTHEQYQRVSFBS-BJMVGYQFSA-N 0 0 476.404 5.103 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OCC)c(Cl)c2)c1 ZINC000016637130 556148968 /nfs/dbraw/zinc/14/89/68/556148968.db2.gz SFVCPTZTMVPCEY-UHFFFAOYSA-N 0 0 454.379 5.258 40 0 JKABRN CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000016637860 556148983 /nfs/dbraw/zinc/14/89/83/556148983.db2.gz KXWDMNPRHKRGKB-FNOBGYSPSA-N 0 0 498.836 9.910 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000016637156 556149015 /nfs/dbraw/zinc/14/90/15/556149015.db2.gz HEWZXNZIFLAWFY-UHFFFAOYSA-N 0 0 476.385 6.119 40 0 JKABRN CCCC[C@](CC)(CCCNC(=O)Nc1cccc(Cl)c1)CNC(=O)Nc1cccc(Cl)c1 ZINC000016637601 556149018 /nfs/dbraw/zinc/14/90/18/556149018.db2.gz PWLIBILEVGDZSV-RUZDIDTESA-N 0 0 493.479 7.303 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000016637106 556149021 /nfs/dbraw/zinc/14/90/21/556149021.db2.gz UTCGZQHFBORVFO-UHFFFAOYSA-N 0 0 474.797 5.521 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000016639357 556149322 /nfs/dbraw/zinc/14/93/22/556149322.db2.gz HPRCCCLANHZZME-UHFFFAOYSA-N 0 0 450.542 6.313 40 0 JKABRN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1cccc2c(Br)cccc12 ZINC000016683005 556151434 /nfs/dbraw/zinc/15/14/34/556151434.db2.gz PGYDPJFTCRWWBA-UHFFFAOYSA-N 0 0 476.348 5.188 40 0 JKABRN CCOc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(OCC)cc4)cc3s2)cc1 ZINC000016691533 556153054 /nfs/dbraw/zinc/15/30/54/556153054.db2.gz ZVSIOPLMZGVHLG-UHFFFAOYSA-N 0 0 461.543 5.598 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Br)cc4)ccc3o2)cc1 ZINC000016692007 556153407 /nfs/dbraw/zinc/15/34/07/556153407.db2.gz VLGITZNOYXYXKW-UHFFFAOYSA-N 0 0 496.386 5.783 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)ccc3o2)cc1 ZINC000016692047 556153444 /nfs/dbraw/zinc/15/34/44/556153444.db2.gz XNQPQIFUMFYWIJ-UHFFFAOYSA-N 0 0 475.570 5.808 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OCC)cc4)nc3c2)cc1 ZINC000016692019 556153462 /nfs/dbraw/zinc/15/34/62/556153462.db2.gz OELPGSMIYYXQNW-UHFFFAOYSA-N 0 0 461.543 5.419 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)c1 ZINC000016693189 556153700 /nfs/dbraw/zinc/15/37/00/556153700.db2.gz LSYASMKBTCHVHB-UHFFFAOYSA-N 0 0 492.420 5.107 40 0 JKABRN CC(C)(C)c1cc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc(C(C)(C)C)c1O ZINC000016711476 556154036 /nfs/dbraw/zinc/15/40/36/556154036.db2.gz MMFUWUUEZQSXQX-IKPAITLHSA-N 0 0 456.655 7.739 40 0 JKABRN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc(Br)c4)c23)cc1 ZINC000016713327 556154355 /nfs/dbraw/zinc/15/43/55/556154355.db2.gz MGYFTKUWVCGTIR-UHFFFAOYSA-N 0 0 470.417 6.160 40 0 JKABRN Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000016737623 556156217 /nfs/dbraw/zinc/15/62/17/556156217.db2.gz REAIJGKTZJTRPJ-NRFANRHFSA-N 0 0 450.947 5.325 40 0 JKABRN Clc1ccccc1[C@H]1CC(c2ccc(I)cc2)=NN1c1ccccc1 ZINC000016740861 556156498 /nfs/dbraw/zinc/15/64/98/556156498.db2.gz JOXOTCOULDKIDC-OAQYLSRUSA-N 0 0 458.730 6.300 40 0 JKABRN CCOC(=O)c1c2c(sc1NC(=O)[C@]13CC[C@](C)(c4nc5ccccc5nc41)C3(C)C)CCCC2 ZINC000016739528 556156502 /nfs/dbraw/zinc/15/65/02/556156502.db2.gz FCICFHPJLBJUAP-IZLXSDGUSA-N 0 0 489.641 5.715 40 0 JKABRN O=C(CCCc1c2cc(Cl)ccc2[nH]c1-c1ccccn1)Nc1ccccc1C(F)(F)F ZINC000016740328 556156541 /nfs/dbraw/zinc/15/65/41/556156541.db2.gz XYCXOVSUWPKBHM-UHFFFAOYSA-N 0 0 457.883 6.864 40 0 JKABRN CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757975 556158126 /nfs/dbraw/zinc/15/81/26/556158126.db2.gz SQVXZWNBMSUIQQ-HXUWFJFHSA-N 0 0 496.430 6.284 40 0 JKABRN CC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757984 556158153 /nfs/dbraw/zinc/15/81/53/556158153.db2.gz JPELWMQHIDGYQC-OAHLLOKOSA-N 0 0 452.377 5.920 40 0 JKABRN O=C(CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)OCc1ccccc1 ZINC000016757928 556158164 /nfs/dbraw/zinc/15/81/64/556158164.db2.gz PSNYGJJWVBQUQL-UHFFFAOYSA-N 0 0 485.996 6.576 40 0 JKABRN CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757944 556158171 /nfs/dbraw/zinc/15/81/71/556158171.db2.gz WVJNBOZEJXNTIA-HNNXBMFYSA-N 0 0 482.403 5.894 40 0 JKABRN Fc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)c1 ZINC000016758003 556158175 /nfs/dbraw/zinc/15/81/75/556158175.db2.gz MYYLNKHFTFDYFQ-UHFFFAOYSA-N 0 0 490.401 7.281 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@@H](C)c2ccccc2)cc1Cl ZINC000016758040 556158487 /nfs/dbraw/zinc/15/84/87/556158487.db2.gz NMMVATOOAQRMFD-IBGZPJMESA-N 0 0 456.014 7.903 40 0 JKABRN CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758099 556158534 /nfs/dbraw/zinc/15/85/34/556158534.db2.gz YVDIGLUXQDNHDI-UHFFFAOYSA-N 0 0 466.006 6.483 40 0 JKABRN OCCN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016768365 556158852 /nfs/dbraw/zinc/15/88/52/556158852.db2.gz RSCNCEOHKJDQHQ-UHFFFAOYSA-N 0 0 499.412 5.849 40 0 JKABRN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(CCO)Cc2ccccc2)cc1 ZINC000016768373 556158866 /nfs/dbraw/zinc/15/88/66/556158866.db2.gz MMOZICUCDQNNNB-UHFFFAOYSA-N 0 0 464.569 5.485 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000016779604 556159112 /nfs/dbraw/zinc/15/91/12/556159112.db2.gz INHSWANUHAUGNX-UHFFFAOYSA-N 0 0 492.597 5.542 40 0 JKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccc(Cl)cc1)c(C)c2C ZINC000016779585 556159218 /nfs/dbraw/zinc/15/92/18/556159218.db2.gz LQHJBXQVZUBZDY-UHFFFAOYSA-N 0 0 481.017 6.521 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000016779620 556159473 /nfs/dbraw/zinc/15/94/73/556159473.db2.gz GAMHYCNRVMLXFQ-UHFFFAOYSA-N 0 0 476.598 5.842 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccc(OC)cc1)cc2C ZINC000016779624 556159493 /nfs/dbraw/zinc/15/94/93/556159493.db2.gz XSBFVAIQYRWQTC-UHFFFAOYSA-N 0 0 492.597 5.542 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nnc2-c2ccc(C)cc2)cc1 ZINC000016788836 556159753 /nfs/dbraw/zinc/15/97/53/556159753.db2.gz GYNJURWKLZXGJF-UHFFFAOYSA-N 0 0 466.513 5.260 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc43)n2-c2ccc(C)cc2)cc1 ZINC000016788797 556159767 /nfs/dbraw/zinc/15/97/67/556159767.db2.gz LAJNEHLIKCIONM-UHFFFAOYSA-N 0 0 464.594 6.435 40 0 JKABRN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788821 556159789 /nfs/dbraw/zinc/15/97/89/556159789.db2.gz HAGGPLIGDPJDKS-LJQANCHMSA-N 0 0 491.060 7.140 40 0 JKABRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1Cl ZINC000016788817 556159792 /nfs/dbraw/zinc/15/97/92/556159792.db2.gz WRRHMIMXXYYWJI-UHFFFAOYSA-N 0 0 499.423 6.289 40 0 JKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2-c2ccc(Cl)cc2)c1 ZINC000016788965 556159994 /nfs/dbraw/zinc/15/99/94/556159994.db2.gz ZMRRKJDFSPYHQP-UHFFFAOYSA-N 0 0 487.387 6.419 40 0 JKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc2ccccc2c1 ZINC000016788869 556160020 /nfs/dbraw/zinc/16/00/20/556160020.db2.gz WDPOZJZHBJAGBA-UHFFFAOYSA-N 0 0 455.970 6.716 40 0 JKABRN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000016788877 556160047 /nfs/dbraw/zinc/16/00/47/556160047.db2.gz JLPIMYPNRNRYSR-UHFFFAOYSA-N 0 0 499.423 6.371 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000016788898 556160066 /nfs/dbraw/zinc/16/00/66/556160066.db2.gz VMSLDHGKXGAMFX-UHFFFAOYSA-N 0 0 464.978 5.636 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1F ZINC000016788861 556160078 /nfs/dbraw/zinc/16/00/78/556160078.db2.gz WKQLLEJWSWEPAU-UHFFFAOYSA-N 0 0 452.942 5.766 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2cccc(C)c2)cc1 ZINC000016788991 556160205 /nfs/dbraw/zinc/16/02/05/556160205.db2.gz COIVOXOBJGQDIB-UHFFFAOYSA-N 0 0 462.550 5.511 40 0 JKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1 ZINC000016789053 556160215 /nfs/dbraw/zinc/16/02/15/556160215.db2.gz XFCDBZMNZCCMHG-UHFFFAOYSA-N 0 0 493.032 6.198 40 0 JKABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1 ZINC000016789089 556160303 /nfs/dbraw/zinc/16/03/03/556160303.db2.gz IQMQCTRBRYIQNE-UHFFFAOYSA-N 0 0 456.615 6.271 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2-c2ccccc2)cc1 ZINC000016789348 556160787 /nfs/dbraw/zinc/16/07/87/556160787.db2.gz DYTYCUVUFFZUQS-UHFFFAOYSA-N 0 0 499.423 6.192 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)n2-c2ccccc2)cc1 ZINC000016789350 556160793 /nfs/dbraw/zinc/16/07/93/556160793.db2.gz RWDLJLVDHBLBLJ-UHFFFAOYSA-N 0 0 486.641 6.183 40 0 JKABRN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000016789265 556160797 /nfs/dbraw/zinc/16/07/97/556160797.db2.gz PCJSHTJEWZMIEX-UHFFFAOYSA-N 0 0 463.990 6.172 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-c2ccccc2)cc1 ZINC000016789362 556160831 /nfs/dbraw/zinc/16/08/31/556160831.db2.gz DFLQKVHOVPNJEX-UHFFFAOYSA-N 0 0 458.587 5.502 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2-c2ccccc2)cc1 ZINC000016789354 556160844 /nfs/dbraw/zinc/16/08/44/556160844.db2.gz KASQTPCVKHBDAC-UHFFFAOYSA-N 0 0 472.614 6.009 40 0 JKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)c1 ZINC000016789290 556160861 /nfs/dbraw/zinc/16/08/61/556160861.db2.gz IIOGEBPJZHSRFF-UHFFFAOYSA-N 0 0 482.993 5.499 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-c2ccc(C)cc2)cc1 ZINC000016789384 556160875 /nfs/dbraw/zinc/16/08/75/556160875.db2.gz AHHUQZWPIAPVPV-UHFFFAOYSA-N 0 0 472.614 5.811 40 0 JKABRN O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl ZINC000016789507 556161031 /nfs/dbraw/zinc/16/10/31/556161031.db2.gz DLDSGJNKEIPRMO-UHFFFAOYSA-N 0 0 490.803 6.020 40 0 JKABRN CCOc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(=O)c2ccc(C)cc2)cc1 ZINC000016789409 556161060 /nfs/dbraw/zinc/16/10/60/556161060.db2.gz QSYBZMQBJIZYKT-UHFFFAOYSA-N 0 0 473.598 5.837 40 0 JKABRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000016789444 556161084 /nfs/dbraw/zinc/16/10/84/556161084.db2.gz LDLWYGQVBDROJW-UHFFFAOYSA-N 0 0 456.958 6.111 40 0 JKABRN COc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 ZINC000016789622 556161335 /nfs/dbraw/zinc/16/13/35/556161335.db2.gz YFHKCTUIJPSQME-UHFFFAOYSA-N 0 0 455.992 5.557 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(Cl)cc2)c(C)c1 ZINC000016789618 556161409 /nfs/dbraw/zinc/16/14/09/556161409.db2.gz QLLPWTTYVDEMRZ-UHFFFAOYSA-N 0 0 469.035 5.921 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 ZINC000016807629 556162354 /nfs/dbraw/zinc/16/23/54/556162354.db2.gz BDQKMRAJNLDZLK-UHFFFAOYSA-N 0 0 482.533 5.064 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000016807676 556162466 /nfs/dbraw/zinc/16/24/66/556162466.db2.gz FABSQVHSAIZCAU-UHFFFAOYSA-N 0 0 492.597 5.542 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(CC)cc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000016807898 556162664 /nfs/dbraw/zinc/16/26/64/556162664.db2.gz OQQFKKQPCLSKFI-UHFFFAOYSA-N 0 0 488.613 5.635 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1Cl ZINC000016807929 556162717 /nfs/dbraw/zinc/16/27/17/556162717.db2.gz IQYACLFPHXFXIL-UHFFFAOYSA-N 0 0 465.804 5.420 40 0 JKABRN COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3OC)CC2=O)c1 ZINC000016902480 556173243 /nfs/dbraw/zinc/17/32/43/556173243.db2.gz CVLFHHZXFQLLEH-FQEVSTJZSA-N 0 0 471.557 5.043 40 0 JKABRN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccc(C)cc3C)CC2=O)cc1 ZINC000016902511 556173585 /nfs/dbraw/zinc/17/35/85/556173585.db2.gz BTRFQVACQKRMAI-QFIPXVFZSA-N 0 0 469.585 5.651 40 0 JKABRN Cc1ccc(C(=O)N[C@@H](N[C@@H](NC(=O)c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000016952559 556183910 /nfs/dbraw/zinc/18/39/10/556183910.db2.gz KETRINJJULJWGI-RNPORBBMSA-N 0 0 491.635 6.067 40 0 JKABRN O=C(c1ccccc1)[C@@H](Nc1nn2c(nc(-c3ccccc3)c2-c2ccccc2)[nH]1)c1ccccc1 ZINC000017005552 556199934 /nfs/dbraw/zinc/19/99/34/556199934.db2.gz HEFXNBYMHGTKPG-SANMLTNESA-N 0 0 469.548 6.428 40 0 JKABRN O=C(NCCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(Oc2ccccc2)cc1 ZINC000017043923 556210400 /nfs/dbraw/zinc/21/04/00/556210400.db2.gz FRIXKAJTBVUUQB-UHFFFAOYSA-N 0 0 460.843 5.166 40 0 JKABRN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1(c2ccc(Cl)cc2)CCCC1 ZINC000017043932 556210405 /nfs/dbraw/zinc/21/04/05/556210405.db2.gz RDCZWFKEKOKOHN-UHFFFAOYSA-N 0 0 457.283 5.183 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013024380 556214229 /nfs/dbraw/zinc/21/42/29/556214229.db2.gz JNVPCVJDPLZXKD-MHZLTWQESA-N 0 0 483.616 5.127 40 0 JKABRN O=C1c2ccccc2C(=O)N1CC[PH](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 ZINC000017064203 556214733 /nfs/dbraw/zinc/21/47/33/556214733.db2.gz LWBXONRVNMKUBX-UHFFFAOYSA-N 0 0 479.560 6.633 40 0 JKABRN COc1cccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000013024937 556215132 /nfs/dbraw/zinc/21/51/32/556215132.db2.gz QITVJTKVQGDXGT-DEOSSOPVSA-N 0 0 466.965 5.384 40 0 JKABRN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccc(Br)c1 ZINC000017083444 556215390 /nfs/dbraw/zinc/21/53/90/556215390.db2.gz GHVMTUFSXHIUHZ-HSZRJFAPSA-N 0 0 470.750 5.110 40 0 JKABRN COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013024984 556215453 /nfs/dbraw/zinc/21/54/53/556215453.db2.gz JTIDVNIWLVISNU-QHCPKHFHSA-N 0 0 452.938 5.389 40 0 JKABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c(OC)c1 ZINC000013024978 556215476 /nfs/dbraw/zinc/21/54/76/556215476.db2.gz XDGVDRBDUYINAW-XMMPIXPASA-N 0 0 482.964 5.397 40 0 JKABRN CCOc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)ccc1OC(=O)c1ccccc1Cl ZINC000017086176 556215986 /nfs/dbraw/zinc/21/59/86/556215986.db2.gz GGNQUYCGJMKZMT-UDWIEESQSA-N 0 0 482.319 5.956 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1 ZINC000013025466 556216171 /nfs/dbraw/zinc/21/61/71/556216171.db2.gz XEIKGDHFIYAVPH-MHZLTWQESA-N 0 0 474.601 5.472 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OCC)cc2)cc1 ZINC000013025516 556216175 /nfs/dbraw/zinc/21/61/75/556216175.db2.gz LEGNXSGVYNAKSF-SANMLTNESA-N 0 0 476.573 5.524 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2OCC)cc1 ZINC000013025542 556216357 /nfs/dbraw/zinc/21/63/57/556216357.db2.gz ACJUEAMJWAUPBR-SANMLTNESA-N 0 0 476.573 5.524 40 0 JKABRN COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000017086222 556216402 /nfs/dbraw/zinc/21/64/02/556216402.db2.gz DNRRUFIQHORNQA-RGVLZGJSSA-N 0 0 472.299 6.065 40 0 JKABRN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OCc1ccc(Cl)cc1 ZINC000017086314 556216609 /nfs/dbraw/zinc/21/66/09/556216609.db2.gz JOOOFDTZLZFGLK-VWLOTQADSA-N 0 0 485.975 5.747 40 0 JKABRN CC[C@H](C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013025648 556216644 /nfs/dbraw/zinc/21/66/44/556216644.db2.gz YSRCABYLHXVCNG-UUOWRZLLSA-N 0 0 450.604 6.302 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)c1OC ZINC000013025928 556217212 /nfs/dbraw/zinc/21/72/12/556217212.db2.gz NNOYWWUTIJBVOU-SANMLTNESA-N 0 0 490.600 5.090 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cc(C)cc2C)c1 ZINC000013025909 556217214 /nfs/dbraw/zinc/21/72/14/556217214.db2.gz QXXHJRUKENXMHA-AREMUKBSSA-N 0 0 460.574 5.660 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cc(C)cc2C)c1 ZINC000013025912 556217227 /nfs/dbraw/zinc/21/72/27/556217227.db2.gz QXXHJRUKENXMHA-SANMLTNESA-N 0 0 460.574 5.660 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)C)cc2)c1OC ZINC000013026048 556217505 /nfs/dbraw/zinc/21/75/05/556217505.db2.gz MLLFRGORTXECDJ-SANMLTNESA-N 0 0 490.600 5.867 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cc(C)cc2C)c1OC ZINC000013026068 556217812 /nfs/dbraw/zinc/21/78/12/556217812.db2.gz PXMQAXWDEBPIFN-SANMLTNESA-N 0 0 490.600 5.669 40 0 JKABRN COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc(OC)c1OC ZINC000013026246 556217877 /nfs/dbraw/zinc/21/78/77/556217877.db2.gz CZVLVAXZICRUAO-RUZDIDTESA-N 0 0 492.572 5.061 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2Cl)cc1OC ZINC000013026342 556218187 /nfs/dbraw/zinc/21/81/87/556218187.db2.gz QKKOJMZUAFCIDO-XMMPIXPASA-N 0 0 482.964 5.397 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)cc1OC ZINC000013026324 556218196 /nfs/dbraw/zinc/21/81/96/556218196.db2.gz VZDCPMGSCGOXGL-SANMLTNESA-N 0 0 476.573 5.048 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)c2ccco2)cc1OC ZINC000013026300 556218202 /nfs/dbraw/zinc/21/82/02/556218202.db2.gz WKUJECDANMCQIC-VWLOTQADSA-N 0 0 496.991 5.393 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(C)ccc2OC)cc1OC ZINC000013026373 556218477 /nfs/dbraw/zinc/21/84/77/556218477.db2.gz IOUKQFVETNXGJU-AREMUKBSSA-N 0 0 492.572 5.061 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)cc1OC ZINC000013026357 556218481 /nfs/dbraw/zinc/21/84/81/556218481.db2.gz XOUKKWVESKQZJG-RUZDIDTESA-N 0 0 480.536 5.191 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(C)c2)cc1OC ZINC000013026442 556218663 /nfs/dbraw/zinc/21/86/63/556218663.db2.gz JKHPPUUEZBAKOJ-SANMLTNESA-N 0 0 476.573 5.361 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1 ZINC000013026479 556218677 /nfs/dbraw/zinc/21/86/77/556218677.db2.gz GVEPBYOKVNWDMN-AREMUKBSSA-N 0 0 460.574 5.082 40 0 JKABRN Cc1ccc(S(=O)(=O)[C@@](Cl)(SOCc2ccccc2)Sc2ccccc2)cc1 ZINC000017120321 556218917 /nfs/dbraw/zinc/21/89/17/556218917.db2.gz YODDNSINJDGVCX-OAQYLSRUSA-N 0 0 451.034 6.276 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)c(Cl)c2)cc1 ZINC000013026539 556218950 /nfs/dbraw/zinc/21/89/50/556218950.db2.gz WGMUYIJHOOJLOG-QHCPKHFHSA-N 0 0 470.928 5.528 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(C)ccc2OC)cc1 ZINC000013026603 556218957 /nfs/dbraw/zinc/21/89/57/556218957.db2.gz ODNFDOVWLJHESS-VWLOTQADSA-N 0 0 462.546 5.052 40 0 JKABRN CC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000013026729 556219228 /nfs/dbraw/zinc/21/92/28/556219228.db2.gz LILVNPSGDBKHRW-HHHXNRCGSA-N 0 0 472.585 6.053 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)cc1 ZINC000013026778 556219469 /nfs/dbraw/zinc/21/94/69/556219469.db2.gz PXIPFONTJUZZTC-AREMUKBSSA-N 0 0 460.574 5.293 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1 ZINC000013026761 556219477 /nfs/dbraw/zinc/21/94/77/556219477.db2.gz RNVKBENBOHFRJU-MHZLTWQESA-N 0 0 458.602 5.635 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccco2)cc1 ZINC000013026775 556219481 /nfs/dbraw/zinc/21/94/81/556219481.db2.gz PRLOSAJJDYEYPG-AREMUKBSSA-N 0 0 474.557 5.013 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1 ZINC000013026764 556219564 /nfs/dbraw/zinc/21/95/64/556219564.db2.gz QNEVWCGMTDEGNN-HHHXNRCGSA-N 0 0 458.602 5.635 40 0 JKABRN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@]2(O)C1)[C@@H]1CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]1(C)CC3=O ZINC000025553520 556219979 /nfs/dbraw/zinc/21/99/79/556219979.db2.gz OKQBGCWEEWTXQS-ICKMBOESSA-N 0 0 470.694 6.420 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(O)cc1)N(C(=O)c1nsc(Cl)c1Cl)C1CCCC1 ZINC000013027125 556220171 /nfs/dbraw/zinc/22/01/71/556220171.db2.gz NXDJPHDJLNRGOK-FQEVSTJZSA-N 0 0 496.460 5.731 40 0 JKABRN O=C(c1ccccc1Cl)N1N=C(c2cccs2)C[C@@H]1c1cc2ccccc2nc1Cl ZINC000013027672 556220832 /nfs/dbraw/zinc/22/08/32/556220832.db2.gz XVQJAUYPAFPPEJ-HXUWFJFHSA-N 0 0 452.366 6.595 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CCCC(=O)Nc2ccccn2)C2CCCC2)cc1 ZINC000013027659 556220844 /nfs/dbraw/zinc/22/08/44/556220844.db2.gz DBJYMLBMZUUKTC-NDEPHWFRSA-N 0 0 490.648 5.070 40 0 JKABRN O=c1cc(CSc2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)c2ccccc2[nH]1 ZINC000013027839 556221003 /nfs/dbraw/zinc/22/10/03/556221003.db2.gz XJVZCTUSTMNOLG-UHFFFAOYSA-N 0 0 483.662 6.489 40 0 JKABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(CCc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000013027882 556221072 /nfs/dbraw/zinc/22/10/72/556221072.db2.gz RIHFZRAMBTUXLV-IBGZPJMESA-N 0 0 499.705 6.425 40 0 JKABRN CCc1nc2sc(C)c(C)c2c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000013027919 556221342 /nfs/dbraw/zinc/22/13/42/556221342.db2.gz QEUJZKABPNGFSH-UHFFFAOYSA-N 0 0 463.653 6.792 40 0 JKABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nc(C(C)(C)C)cs4)n21)CCCC3 ZINC000013028094 556221596 /nfs/dbraw/zinc/22/15/96/556221596.db2.gz OMGPNSUPDLJCID-UHFFFAOYSA-N 0 0 472.665 5.011 40 0 JKABRN COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000025575444 556222486 /nfs/dbraw/zinc/22/24/86/556222486.db2.gz XUYWHPLJOIXBAC-ZEQRLZLVSA-N 0 0 477.351 5.806 40 0 JKABRN O=C(NC(=S)Nc1ccc(C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000017155716 556228723 /nfs/dbraw/zinc/22/87/23/556228723.db2.gz MBPWILNDAHDNHM-VWJNQZILSA-N 0 0 464.675 5.299 40 0 JKABRN C[C@@H]1CCCC[C@H]1OC(=O)Nc1ccc(Cc2ccc(NC(=O)O[C@@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000025692592 556230237 /nfs/dbraw/zinc/23/02/37/556230237.db2.gz PZGLNYOOHRUUDU-SJRZMVRYSA-N 0 0 478.633 7.532 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013032207 556230638 /nfs/dbraw/zinc/23/06/38/556230638.db2.gz FUUPRKXMVDIHIP-AREMUKBSSA-N 0 0 487.604 5.029 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1C ZINC000013032215 556230872 /nfs/dbraw/zinc/23/08/72/556230872.db2.gz BZPWSNRWBSHAEX-AREMUKBSSA-N 0 0 487.604 5.029 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1C ZINC000013032211 556230882 /nfs/dbraw/zinc/23/08/82/556230882.db2.gz WYDKTELBKGWMAD-AREMUKBSSA-N 0 0 487.604 5.029 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc2ccccc21 ZINC000013032473 556231149 /nfs/dbraw/zinc/23/11/49/556231149.db2.gz LVBMJCUTVAEIKL-MHZLTWQESA-N 0 0 495.583 5.257 40 0 JKABRN COc1ccccc1NC(=O)C1=CNC(C)=C(C(=O)Nc2ccccc2OC)[C@H]1/C=C\c1ccccc1 ZINC000017176654 556232029 /nfs/dbraw/zinc/23/20/29/556232029.db2.gz PWUAIOFBJTWJCZ-ZDZITJCTSA-N 0 0 495.579 5.372 40 0 JKABRN C[C@@H](CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)Nc1ccccc1 ZINC000017214227 556242199 /nfs/dbraw/zinc/24/21/99/556242199.db2.gz YILFDYHDKCFLPX-VWLOTQADSA-N 0 0 465.593 7.413 40 0 JKABRN CC(C)(C)[C@@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017221535 556242830 /nfs/dbraw/zinc/24/28/30/556242830.db2.gz ABGJUPJVFXHECK-PRTDMIOVSA-N 0 0 461.005 6.654 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C(=O)N1CCCC1 ZINC000026115136 556245722 /nfs/dbraw/zinc/24/57/22/556245722.db2.gz LEFLLIXYGSFYGM-UHFFFAOYSA-N 0 0 478.945 5.118 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C(=O)N1CCCCC1 ZINC000026116416 556246347 /nfs/dbraw/zinc/24/63/47/556246347.db2.gz CWWDLNMJOFTBNY-UHFFFAOYSA-N 0 0 492.972 5.508 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000026116675 556246618 /nfs/dbraw/zinc/24/66/18/556246618.db2.gz KRPYQUYAIDJWIA-UHFFFAOYSA-N 0 0 466.628 5.502 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C(=O)N1CCCCC1 ZINC000026116873 556246625 /nfs/dbraw/zinc/24/66/25/556246625.db2.gz KSOVJONCXXFXKN-UHFFFAOYSA-N 0 0 459.420 5.142 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)N1CCCCC1 ZINC000026116866 556246652 /nfs/dbraw/zinc/24/66/52/556246652.db2.gz UZDQIQPPNOPCKI-UHFFFAOYSA-N 0 0 459.420 5.142 40 0 JKABRN CSc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000026116830 556246679 /nfs/dbraw/zinc/24/66/79/556246679.db2.gz QDERQTOSTDKIOO-UHFFFAOYSA-N 0 0 480.655 5.103 40 0 JKABRN COc1ccc(N2C(=O)[C@H]3[C@@H](c4[nH]c5cc(C)ccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]34)C2=O)cc1 ZINC000017248588 556247535 /nfs/dbraw/zinc/24/75/35/556247535.db2.gz VPHKEKRMCHXCGE-OQZRQRKISA-N 0 0 470.613 6.318 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)N1CCC(C)CC1 ZINC000026118614 556247918 /nfs/dbraw/zinc/24/79/18/556247918.db2.gz PRPWAJWKJPRKLV-UHFFFAOYSA-N 0 0 453.029 5.043 40 0 JKABRN CC(=O)Oc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000017253617 556248332 /nfs/dbraw/zinc/24/83/32/556248332.db2.gz NGHZDEOYHINSAY-MGUIMKGHSA-N 0 0 484.596 5.926 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000026119766 556248598 /nfs/dbraw/zinc/24/85/98/556248598.db2.gz SMVVHIWVXACDFF-UHFFFAOYSA-N 0 0 473.447 5.532 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)N1CCCCCC1 ZINC000026120022 556248877 /nfs/dbraw/zinc/24/88/77/556248877.db2.gz OEMYZEQGKVLDAB-UHFFFAOYSA-N 0 0 453.029 5.187 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(Cl)cc4Cl)cc3n2)cc1 ZINC000026124066 556249470 /nfs/dbraw/zinc/24/94/70/556249470.db2.gz QOEZJVKVJYBHFM-UHFFFAOYSA-N 0 0 457.317 5.062 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3n2)cc1 ZINC000026124736 556249726 /nfs/dbraw/zinc/24/97/26/556249726.db2.gz BJCJRGJAUACENJ-UHFFFAOYSA-N 0 0 493.350 6.557 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000026124567 556249848 /nfs/dbraw/zinc/24/98/48/556249848.db2.gz RDGYYOKVHDXLLM-UHFFFAOYSA-N 0 0 463.324 6.548 40 0 JKABRN CCN(C(=O)[C@@H](c1ccccc1)[C@H](C(=O)N(CC)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017285434 556250578 /nfs/dbraw/zinc/25/05/78/556250578.db2.gz JDKGWJUCSXRNCZ-RNPORBBMSA-N 0 0 476.620 6.660 40 0 JKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3n2)cc1 ZINC000017332162 556258580 /nfs/dbraw/zinc/25/85/80/556258580.db2.gz FOKAICGOWUTEPL-UHFFFAOYSA-N 0 0 473.330 6.004 40 0 JKABRN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCOCC2)c(OC)c1 ZINC000026770877 556260892 /nfs/dbraw/zinc/26/08/92/556260892.db2.gz KAISROIQIINBIZ-DEOSSOPVSA-N 0 0 466.603 5.056 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)cc1 ZINC000017446741 556261129 /nfs/dbraw/zinc/26/11/29/556261129.db2.gz CRPQNZCUQQKVBF-UHFFFAOYSA-N 0 0 471.582 5.058 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN([C@@H](CC)c3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000013063740 556261211 /nfs/dbraw/zinc/26/12/11/556261211.db2.gz CVYLMXQLSJXPDC-SANMLTNESA-N 0 0 488.611 5.160 40 0 JKABRN O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000026780065 556262142 /nfs/dbraw/zinc/26/21/42/556262142.db2.gz HQJSCKFXLODMEU-UHFFFAOYSA-N 0 0 491.300 7.509 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064580 556262330 /nfs/dbraw/zinc/26/23/30/556262330.db2.gz URIQKFZOOIBPBS-QHCPKHFHSA-N 0 0 450.631 5.172 40 0 JKABRN CC[C@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064597 556262376 /nfs/dbraw/zinc/26/23/76/556262376.db2.gz TYEOIYSNYMWRDA-HHHXNRCGSA-N 0 0 484.648 5.443 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064698 556262856 /nfs/dbraw/zinc/26/28/56/556262856.db2.gz JHODLFBGIPOEKN-AREMUKBSSA-N 0 0 488.611 5.215 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCCC1)N(CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064851 556262882 /nfs/dbraw/zinc/26/28/82/556262882.db2.gz MFZQMZYWEVAYPL-NDEPHWFRSA-N 0 0 498.675 5.833 40 0 JKABRN CC[C@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064828 556262925 /nfs/dbraw/zinc/26/29/25/556262925.db2.gz QTFCIJJYRYMHEW-HHHXNRCGSA-N 0 0 484.648 5.443 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065052 556263237 /nfs/dbraw/zinc/26/32/37/556263237.db2.gz OOTLNOFTGHGYMU-XMMPIXPASA-N 0 0 462.642 5.533 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065210 556263777 /nfs/dbraw/zinc/26/37/77/556263777.db2.gz DJPVWYMMIHLOOM-HHHXNRCGSA-N 0 0 498.675 5.833 40 0 JKABRN C[C@H]1CCCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)C1 ZINC000013065329 556264041 /nfs/dbraw/zinc/26/40/41/556264041.db2.gz BGUOSZZVBHJMHD-RDJZCZTQSA-N 0 0 457.709 6.070 40 0 JKABRN CC(=O)Nc1ccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)cc1 ZINC000013065344 556264074 /nfs/dbraw/zinc/26/40/74/556264074.db2.gz FODKAEUGQUJCFF-SFHVURJKSA-N 0 0 493.698 6.653 40 0 JKABRN CC[C@@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000013065336 556264106 /nfs/dbraw/zinc/26/41/06/556264106.db2.gz HOOKQDJPIZGWKB-QZTJIDSGSA-N 0 0 471.736 6.603 40 0 JKABRN CC(=O)Nc1ccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000013065345 556264124 /nfs/dbraw/zinc/26/41/24/556264124.db2.gz FODKAEUGQUJCFF-GOSISDBHSA-N 0 0 493.698 6.653 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Cl)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000017777984 556266142 /nfs/dbraw/zinc/26/61/42/556266142.db2.gz BLEWUOTVXDZSIJ-SGNDLWITSA-N 0 0 462.933 5.180 40 0 JKABRN O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000017836892 556268504 /nfs/dbraw/zinc/26/85/04/556268504.db2.gz GHNHHSUJFYEXIG-BDTNDASRSA-N 0 0 486.877 5.406 40 0 JKABRN O=C(CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000017887404 556270063 /nfs/dbraw/zinc/27/00/63/556270063.db2.gz NKFGBFTYHRSDSC-GWEVUABKSA-N 0 0 467.379 6.151 40 0 JKABRN CCOc1ccc(CN(C)Cn2nc3n(c2=S)c2ccccc2c(=O)n3-c2cc(C)cc(C)c2)cc1 ZINC000013072146 556270662 /nfs/dbraw/zinc/27/06/62/556270662.db2.gz ZHBGOHVLQKAHGO-UHFFFAOYSA-N 0 0 499.640 5.274 40 0 JKABRN COC(=O)Nc1sc(=Nc2ccc(OC)cc2)n(-c2ccc(OC)cc2)c1-c1ccccc1 ZINC000027061769 556273215 /nfs/dbraw/zinc/27/32/15/556273215.db2.gz TWSXDZXSADFNQA-LCUIJRPUSA-N 0 0 461.543 5.634 40 0 JKABRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000027118227 556274167 /nfs/dbraw/zinc/27/41/67/556274167.db2.gz URDLIACGZJBZLB-QFIPXVFZSA-N 0 0 479.650 5.081 40 0 JKABRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000027118230 556274417 /nfs/dbraw/zinc/27/44/17/556274417.db2.gz URDLIACGZJBZLB-JOCHJYFZSA-N 0 0 479.650 5.081 40 0 JKABRN O=S(=O)(Cn1s/c(=N\c2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2c1 ZINC000027345330 556276883 /nfs/dbraw/zinc/27/68/83/556276883.db2.gz VPASZWUCDMQNEL-QPLCGJKRSA-N 0 0 457.580 5.429 40 0 JKABRN CCCCOc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000018037986 556278645 /nfs/dbraw/zinc/27/86/45/556278645.db2.gz MHVHYYNMBVRZLE-PVHODMMVSA-N 0 0 486.568 5.234 40 0 JKABRN CC(C)C(=O)N1CCc2cc(-c3csc(NC(=O)C(c4ccccc4)c4ccccc4)n3)ccc21 ZINC000013084255 556281812 /nfs/dbraw/zinc/28/18/12/556281812.db2.gz SMJMAGCVSGUZKA-UHFFFAOYSA-N 0 0 481.621 6.126 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)nc2c1cccc2C(F)(F)F)NCc1ccc(F)cc1 ZINC000013084507 556281988 /nfs/dbraw/zinc/28/19/88/556281988.db2.gz RORXHGUFQDONRU-UHFFFAOYSA-N 0 0 471.479 5.863 40 0 JKABRN CCc1ccc2nc(-c3ccccc3)nc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 ZINC000013084699 556282031 /nfs/dbraw/zinc/28/20/31/556282031.db2.gz ZFBJDNAGINYTRO-UHFFFAOYSA-N 0 0 457.643 6.036 40 0 JKABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018100673 556287587 /nfs/dbraw/zinc/28/75/87/556287587.db2.gz VAWKIFVVJANQRK-FKBYEOEOSA-N 0 0 469.324 5.053 40 0 JKABRN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018100810 556287606 /nfs/dbraw/zinc/28/76/06/556287606.db2.gz HRXCMALIDFAQLU-GSDHBNRESA-N 0 0 490.531 5.064 40 0 JKABRN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018118240 556289819 /nfs/dbraw/zinc/28/98/19/556289819.db2.gz RSYSVVPXMQQROL-VABKMULXSA-N 0 0 467.352 5.607 40 0 JKABRN Cc1cc(C)cc(-n2c3nn(CN4CCC[C@@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)c1 ZINC000013097672 556294869 /nfs/dbraw/zinc/29/48/69/556294869.db2.gz LPLRCMBVUMISMH-REWPJTCUSA-N 0 0 473.646 5.398 40 0 JKABRN Cc1cc(C)cc(-n2c3nn(CN4CCC[C@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)c1 ZINC000013097673 556294882 /nfs/dbraw/zinc/29/48/82/556294882.db2.gz LPLRCMBVUMISMH-OFNKIYASSA-N 0 0 473.646 5.398 40 0 JKABRN CCc1ccc(-n2c3nnc(SCC(=O)c4cc(C)c(C)cc4C)n3c3ccccc3c2=O)cc1 ZINC000013098661 556297713 /nfs/dbraw/zinc/29/77/13/556297713.db2.gz MGULACHWLBHIOF-UHFFFAOYSA-N 0 0 482.609 5.496 40 0 JKABRN Cc1cc2occ(CC(=O)N(C(=O)Cc3coc4cc(C)cc(C)c34)c3ncccc3C)c2c(C)c1 ZINC000027587318 556300949 /nfs/dbraw/zinc/30/09/49/556300949.db2.gz DPCFMAVWOHCMDQ-UHFFFAOYSA-N 0 0 480.564 6.461 40 0 JKABRN COc1cccc(OCCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000027792735 556307178 /nfs/dbraw/zinc/30/71/78/556307178.db2.gz MBNFOMRVVAUXNR-QFIPXVFZSA-N 0 0 469.585 5.733 40 0 JKABRN Cc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC000027792799 556307236 /nfs/dbraw/zinc/30/72/36/556307236.db2.gz NSEFSKLTBMBKFD-LJQANCHMSA-N 0 0 460.375 5.676 40 0 JKABRN O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1cccc(Br)c1 ZINC000027825136 556308500 /nfs/dbraw/zinc/30/85/00/556308500.db2.gz ORGVOXJAHGQXCN-NRFANRHFSA-O 0 0 478.395 5.164 40 0 JKABRN COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1OC ZINC000027914361 556309882 /nfs/dbraw/zinc/30/98/82/556309882.db2.gz XNPBHXHJGYVVTQ-UHFFFAOYSA-N 0 0 469.456 5.257 40 0 JKABRN O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000018209585 556310562 /nfs/dbraw/zinc/31/05/62/556310562.db2.gz CLZZULKMQBEYLS-UHFFFAOYSA-N 0 0 496.942 5.240 40 0 JKABRN COc1ccccc1Oc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 ZINC000018238963 556314354 /nfs/dbraw/zinc/31/43/54/556314354.db2.gz YGRNFNYVDRCTOC-UHFFFAOYSA-N 0 0 453.585 5.984 40 0 JKABRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(O)c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000028066344 556315732 /nfs/dbraw/zinc/31/57/32/556315732.db2.gz VNUOXKWLIPTHOT-LOSJGSFVSA-N 0 0 498.608 5.182 40 0 JKABRN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206966 556317749 /nfs/dbraw/zinc/31/77/49/556317749.db2.gz NDXITPKMBPMQAB-OAHLLOKOSA-N 0 0 460.477 5.098 40 0 JKABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028207145 556317839 /nfs/dbraw/zinc/31/78/39/556317839.db2.gz LWOHAUWJVJJPMZ-LJQANCHMSA-N 0 0 492.597 5.036 40 0 JKABRN COc1cc(OC)cc(C(=O)Nc2cc(C34C[C@H]5C[C@H](CC(Br)(C5)C3)C4)ccc2C)c1 ZINC000018269573 556317992 /nfs/dbraw/zinc/31/79/92/556317992.db2.gz KXFUPUONGXHCSX-LJQDGHHOSA-N 0 0 484.434 6.250 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1Sc1ccccc1 ZINC000028208543 556318828 /nfs/dbraw/zinc/31/88/28/556318828.db2.gz XTFGCCRMAXRVGX-UHFFFAOYSA-N 0 0 466.628 5.194 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000028208752 556319216 /nfs/dbraw/zinc/31/92/16/556319216.db2.gz VQFHYMGNRYHBTB-UHFFFAOYSA-N 0 0 488.531 5.418 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4cccc(C)c4)cc3c2)cc1OC ZINC000028208928 556319420 /nfs/dbraw/zinc/31/94/20/556319420.db2.gz FNKGUNSGBAWUBO-UHFFFAOYSA-N 0 0 496.610 5.304 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4ccccc4C)cc3c2)cc1OC ZINC000028208925 556319516 /nfs/dbraw/zinc/31/95/16/556319516.db2.gz WXWNUSAYJSRYNQ-UHFFFAOYSA-N 0 0 496.610 5.304 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)c(C)c1 ZINC000028209075 556319762 /nfs/dbraw/zinc/31/97/62/556319762.db2.gz RVIHEQIIAWESLH-UHFFFAOYSA-N 0 0 468.575 5.735 40 0 JKABRN CCCN(c1ccc2sc(C(=O)NCc3ccccc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209240 556320058 /nfs/dbraw/zinc/32/00/58/556320058.db2.gz UOPRDZJMTMLUSK-UHFFFAOYSA-N 0 0 478.639 5.745 40 0 JKABRN CC(=O)Nc1cccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)c1 ZINC000028209195 556320062 /nfs/dbraw/zinc/32/00/62/556320062.db2.gz UBAIHEZDPVPNPJ-UHFFFAOYSA-N 0 0 497.573 5.076 40 0 JKABRN COc1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)cc1 ZINC000028209122 556320099 /nfs/dbraw/zinc/32/00/99/556320099.db2.gz VLLJXORSOWYFFP-UHFFFAOYSA-N 0 0 470.547 5.126 40 0 JKABRN Cc1cc(C)c(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)c(C)c1 ZINC000028209192 556320110 /nfs/dbraw/zinc/32/01/10/556320110.db2.gz GPJKZXCFJNMPIY-UHFFFAOYSA-N 0 0 482.602 6.043 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccccc3F)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209288 556320362 /nfs/dbraw/zinc/32/03/62/556320362.db2.gz UCHLVXKQGMMYFL-UHFFFAOYSA-N 0 0 482.602 6.206 40 0 JKABRN CCCN(c1ccc2sc(C(=O)N3CCCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209337 556320448 /nfs/dbraw/zinc/32/04/48/556320448.db2.gz KIRFKGCDVUZPLM-UHFFFAOYSA-N 0 0 456.633 5.441 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccccc3OC)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209305 556320455 /nfs/dbraw/zinc/32/04/55/556320455.db2.gz AFHIAIZNUJTKEP-UHFFFAOYSA-N 0 0 494.638 6.076 40 0 JKABRN CCCN(c1ccc2sc(C(=O)NCCc3ccccc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209247 556320559 /nfs/dbraw/zinc/32/05/59/556320559.db2.gz MFVOKLCLYWCQQH-UHFFFAOYSA-N 0 0 492.666 5.788 40 0 JKABRN CCCN(c1ccc2sc(C(=O)NCCC(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209353 556320785 /nfs/dbraw/zinc/32/07/85/556320785.db2.gz CRRUWMBOGQSHQB-UHFFFAOYSA-N 0 0 458.649 5.591 40 0 JKABRN CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1C ZINC000018619922 556323056 /nfs/dbraw/zinc/32/30/56/556323056.db2.gz BLIVHHRIJDTLLL-UHFFFAOYSA-N 0 0 458.612 6.195 40 0 JKABRN CC1(C)C[C@H](NC(=O)Nc2ccc(F)c(F)c2)C[C@](C)(CNC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000019075180 556327494 /nfs/dbraw/zinc/32/74/94/556327494.db2.gz SGINSIHQRSVHST-FYSMJZIKSA-N 0 0 480.506 5.771 40 0 JKABRN Cc1ccc(NC(=O)Nc2nc(NC(=O)Nc3ccc(C)cc3)nc(-c3ccccc3)n2)cc1 ZINC000019074508 556327611 /nfs/dbraw/zinc/32/76/11/556327611.db2.gz FBMQGGKLFSQXHU-UHFFFAOYSA-N 0 0 453.506 5.443 40 0 JKABRN CN(CCCNC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000019074954 556327637 /nfs/dbraw/zinc/32/76/37/556327637.db2.gz HIJULQHISYQVGI-UHFFFAOYSA-N 0 0 462.394 5.400 40 0 JKABRN CCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCC)cc3)c(C=O)c2)cc1 ZINC000019075619 556327854 /nfs/dbraw/zinc/32/78/54/556327854.db2.gz ILFDMDSWXKENQG-UHFFFAOYSA-N 0 0 462.498 5.515 40 0 JKABRN CC(C)(NC(=O)Nc1ccc(Cl)cc1)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000019075317 556327940 /nfs/dbraw/zinc/32/79/40/556327940.db2.gz RCTHLROOVCFHJU-UHFFFAOYSA-N 0 0 499.442 7.107 40 0 JKABRN O=C(Nc1ccc(Cl)cc1Cl)Nc1ccccc1COC(=O)Nc1ccc(Cl)cc1Cl ZINC000019075416 556327944 /nfs/dbraw/zinc/32/79/44/556327944.db2.gz DXWCYMZUQMYRTN-UHFFFAOYSA-N 0 0 499.181 7.693 40 0 JKABRN Clc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000019117363 556331211 /nfs/dbraw/zinc/33/12/11/556331211.db2.gz YGOZIAIOHWWTJO-MHZLTWQESA-N 0 0 488.374 7.109 40 0 JKABRN Clc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000019117355 556331241 /nfs/dbraw/zinc/33/12/41/556331241.db2.gz RYJJBFHNZBDHPB-HHHXNRCGSA-N 0 0 453.929 6.456 40 0 JKABRN Clc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000019117361 556331314 /nfs/dbraw/zinc/33/13/14/556331314.db2.gz YGOZIAIOHWWTJO-HHHXNRCGSA-N 0 0 488.374 7.109 40 0 JKABRN O=C1C[C@@H](c2ccc(Br)cc2)N[C@H](c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000019201778 556333567 /nfs/dbraw/zinc/33/35/67/556333567.db2.gz GWXVHIWWZSJFAP-MDNUFGMLSA-N 0 0 485.219 6.340 40 0 JKABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N(Cc3cccs3)Cc3ccccc3)cc2c1 ZINC000019220716 556334546 /nfs/dbraw/zinc/33/45/46/556334546.db2.gz SBVPGLROYMXKAY-RUZDIDTESA-N 0 0 498.656 5.431 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1ccc(Cl)cc1 ZINC000028527540 556334868 /nfs/dbraw/zinc/33/48/68/556334868.db2.gz CRKWRVDWWXRTAF-UHFFFAOYSA-N 0 0 464.784 6.203 40 0 JKABRN COc1ccc(-c2c3n4c(c(-c5ccc(F)cc5)nc4n2C(=S)Nc2ccccc2)CCCC3)cc1 ZINC000028527674 556334975 /nfs/dbraw/zinc/33/49/75/556334975.db2.gz UNXXKJNGMADPDH-UHFFFAOYSA-N 0 0 496.611 6.741 40 0 JKABRN CC[C@@H](C)c1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000028539304 556335189 /nfs/dbraw/zinc/33/51/89/556335189.db2.gz NUTJDLCRHNFNGY-OAQYLSRUSA-N 0 0 457.577 7.730 40 0 JKABRN O=C(NCc1cccc(Br)c1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539686 556335480 /nfs/dbraw/zinc/33/54/80/556335480.db2.gz MZNAUCSYFFJWHG-UHFFFAOYSA-N 0 0 494.392 6.656 40 0 JKABRN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539345 556335563 /nfs/dbraw/zinc/33/55/63/556335563.db2.gz BPECIAAOMSXOCS-UHFFFAOYSA-N 0 0 484.584 7.340 40 0 JKABRN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000028540216 556335616 /nfs/dbraw/zinc/33/56/16/556335616.db2.gz KWSQJVYYEFGQNO-UHFFFAOYSA-N 0 0 456.390 6.257 40 0 JKABRN COc1ccc(C(C)=O)cc1COc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000028616734 556336845 /nfs/dbraw/zinc/33/68/45/556336845.db2.gz ALFAQVKDZSKCSL-UHFFFAOYSA-N 0 0 495.626 5.042 40 0 JKABRN CCCCn1nnnc1COc1nc(CN2CCC(C)CC2)nc2scc(-c3cccs3)c21 ZINC000028616738 556336899 /nfs/dbraw/zinc/33/68/99/556336899.db2.gz NRZVIUDTQBSREH-UHFFFAOYSA-N 0 0 483.667 5.017 40 0 JKABRN CN(C(=O)COc1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21)c1ccccc1 ZINC000028616772 556337217 /nfs/dbraw/zinc/33/72/17/556337217.db2.gz MFAWAXZVCMJGPL-UHFFFAOYSA-N 0 0 478.643 5.448 40 0 JKABRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OC(C)=O)C4(C)C ZINC000028646870 556338909 /nfs/dbraw/zinc/33/89/09/556338909.db2.gz PQNTWKDHNSWVPU-OSWLCJEWSA-N 0 0 468.766 8.740 40 0 JKABRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(Cl)cc2Cl)cc1 ZINC000019325534 556341417 /nfs/dbraw/zinc/34/14/17/556341417.db2.gz GKJZXPUJZPNDSN-UHFFFAOYSA-N 0 0 471.428 6.417 40 0 JKABRN CCOc1ccc(Cl)cc1C1N(Cc2ccccc2OC)CCCN1Cc1ccccc1OC ZINC000019326404 556341845 /nfs/dbraw/zinc/34/18/45/556341845.db2.gz RSWRKEZFGSBUOD-UHFFFAOYSA-N 0 0 481.036 6.163 40 0 JKABRN COc1ccc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000019445977 556348438 /nfs/dbraw/zinc/34/84/38/556348438.db2.gz MBDUXQUNTFFCDU-RUZDIDTESA-N 0 0 490.608 5.021 40 0 JKABRN CC[C@@H](C)c1ccc(-n2c(=O)c3cc(Cl)ccc3nc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000013128800 556348937 /nfs/dbraw/zinc/34/89/37/556348937.db2.gz VZXMAYCPLYVLJB-QYZOEREBSA-N 0 0 498.092 6.434 40 0 JKABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N(CC)Cc3ccccc3)cc2c1 ZINC000019526621 556351530 /nfs/dbraw/zinc/35/15/30/556351530.db2.gz HRXNQVAROLHLPL-AREMUKBSSA-N 0 0 486.620 5.030 40 0 JKABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccc(OCc3ccccc3)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000019597056 556356580 /nfs/dbraw/zinc/35/65/80/556356580.db2.gz MLBGKMBPZCTCIT-UHFFFAOYSA-N 0 0 491.628 6.184 40 0 JKABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccc(Br)s2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000019597068 556356898 /nfs/dbraw/zinc/35/68/98/556356898.db2.gz SXBFUIFRIUILAI-UHFFFAOYSA-N 0 0 470.429 5.429 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000019690534 556360279 /nfs/dbraw/zinc/36/02/79/556360279.db2.gz SHFXUOPTOICLQE-UHFFFAOYSA-N 0 0 485.158 6.983 40 0 JKABRN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000013137913 556369008 /nfs/dbraw/zinc/36/90/08/556369008.db2.gz QKQPMFNHNDGCHO-NLDJYOPPSA-N 0 0 471.573 5.085 40 0 JKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000030752979 556371902 /nfs/dbraw/zinc/37/19/02/556371902.db2.gz XLOONERMDIASJR-SANMLTNESA-N 0 0 490.581 5.445 40 0 JKABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000030753347 556371911 /nfs/dbraw/zinc/37/19/11/556371911.db2.gz OEDUGVFTHBMGBG-UHFFFAOYSA-N 0 0 493.368 5.142 40 0 JKABRN CCOc1ccc(CCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OCC ZINC000030754877 556372457 /nfs/dbraw/zinc/37/24/57/556372457.db2.gz LFJXLPPCPQQNIH-UHFFFAOYSA-N 0 0 473.613 6.584 40 0 JKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000030755472 556372764 /nfs/dbraw/zinc/37/27/64/556372764.db2.gz NYJUQDIPTKVWLA-UHFFFAOYSA-N 0 0 451.897 6.782 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1OCC ZINC000030755059 556372967 /nfs/dbraw/zinc/37/29/67/556372967.db2.gz QJHUSJJGXSEMJL-NRFANRHFSA-N 0 0 458.602 5.928 40 0 JKABRN O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000030756664 556373234 /nfs/dbraw/zinc/37/32/34/556373234.db2.gz XTWXYMQKMQWPQJ-UHFFFAOYSA-N 0 0 463.530 5.676 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3cc(C)ccc3C)cc2Cl)cc1 ZINC000030757090 556373426 /nfs/dbraw/zinc/37/34/26/556373426.db2.gz PTTNBWSVRAKUAJ-GOSISDBHSA-N 0 0 456.995 5.557 40 0 JKABRN COc1ccc(SCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC ZINC000030756796 556373491 /nfs/dbraw/zinc/37/34/91/556373491.db2.gz GTEFFKVFDAVUJJ-UHFFFAOYSA-N 0 0 463.599 5.963 40 0 JKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000030758025 556373861 /nfs/dbraw/zinc/37/38/61/556373861.db2.gz OXKITNFUXXPDCC-LJAQVGFWSA-N 0 0 464.609 5.931 40 0 JKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000030758020 556373916 /nfs/dbraw/zinc/37/39/16/556373916.db2.gz OXKITNFUXXPDCC-GDLZYMKVSA-N 0 0 464.609 5.931 40 0 JKABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N(C)C2CCCC2)cc1 ZINC000030758381 556374170 /nfs/dbraw/zinc/37/41/70/556374170.db2.gz GLLMQUGJDZBUMF-UHFFFAOYSA-N 0 0 478.614 5.105 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1)c1ccc(C)cc1 ZINC000030847765 556376223 /nfs/dbraw/zinc/37/62/23/556376223.db2.gz JFNPTEZRSVKXFD-XMMPIXPASA-N 0 0 487.021 5.120 40 0 JKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000030849748 556376893 /nfs/dbraw/zinc/37/68/93/556376893.db2.gz SRSARGUNISWCSS-UHFFFAOYSA-N 0 0 483.677 7.578 40 0 JKABRN CC[C@H](C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000030850730 556377197 /nfs/dbraw/zinc/37/71/97/556377197.db2.gz GSXGIAPICPWSPT-RUZDIDTESA-N 0 0 492.641 5.398 40 0 JKABRN CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1OCC ZINC000030849954 556377304 /nfs/dbraw/zinc/37/73/04/556377304.db2.gz KWYUZHIFAITRDM-UHFFFAOYSA-N 0 0 496.629 5.473 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c(Cl)c1 ZINC000030851382 556377547 /nfs/dbraw/zinc/37/75/47/556377547.db2.gz PCHWIPOWYLJQKC-UHFFFAOYSA-N 0 0 486.977 5.187 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c(Cl)c1 ZINC000030852071 556377915 /nfs/dbraw/zinc/37/79/15/556377915.db2.gz QXFAQFIVBHRIJJ-HSZRJFAPSA-N 0 0 484.961 5.136 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2cc(C)cc(C)c2)cc1 ZINC000030852697 556378127 /nfs/dbraw/zinc/37/81/27/556378127.db2.gz PTJIILVWXVHRAO-UHFFFAOYSA-N 0 0 471.022 5.119 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c2ccccc2)cc1 ZINC000030852534 556378175 /nfs/dbraw/zinc/37/81/75/556378175.db2.gz HRVYUWVRHVPKQH-MHZLTWQESA-N 0 0 470.594 5.340 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc43)cc2Cl)cc1 ZINC000030854870 556379355 /nfs/dbraw/zinc/37/93/55/556379355.db2.gz UIQZCZVBAKXZOP-UHFFFAOYSA-N 0 0 450.947 5.855 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)c1 ZINC000030855691 556379809 /nfs/dbraw/zinc/37/98/09/556379809.db2.gz YGTFGPDSAVPMCS-XMMPIXPASA-N 0 0 450.604 5.621 40 0 JKABRN COC(=O)c1c2c(sc1NC(=O)C1=Cc3cc(Br)ccc3OC=C1)C[C@@H](C)CC2 ZINC000019809902 556380630 /nfs/dbraw/zinc/38/06/30/556380630.db2.gz XBEQOEUZGYORNW-LBPRGKRZSA-N 0 0 474.376 5.350 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)cc1 ZINC000030858451 556380805 /nfs/dbraw/zinc/38/08/05/556380805.db2.gz KKGALOJBDALNCG-UHFFFAOYSA-N 0 0 469.777 6.008 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc2Cl)cc1 ZINC000030859886 556381262 /nfs/dbraw/zinc/38/12/62/556381262.db2.gz DKLMKZNPLCWMJB-DEOSSOPVSA-N 0 0 471.022 5.966 40 0 JKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000030860690 556381446 /nfs/dbraw/zinc/38/14/46/556381446.db2.gz FGZKXFFOIBQUAZ-QFIPXVFZSA-N 0 0 475.035 5.959 40 0 JKABRN O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000030860227 556381512 /nfs/dbraw/zinc/38/15/12/556381512.db2.gz HOCPVGGQCTVLNF-UHFFFAOYSA-N 0 0 464.971 5.152 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000030860604 556381536 /nfs/dbraw/zinc/38/15/36/556381536.db2.gz BGDZGDHGYGRPJO-XMMPIXPASA-N 0 0 452.576 5.013 40 0 JKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1)c1ccc(OC)cc1 ZINC000030863029 556382474 /nfs/dbraw/zinc/38/24/74/556382474.db2.gz ZLAUUCARMLUKHI-DEOSSOPVSA-N 0 0 466.603 5.302 40 0 JKABRN CC(C)(C)c1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000030862751 556382489 /nfs/dbraw/zinc/38/24/89/556382489.db2.gz RPBTUOJEIKFSKD-UHFFFAOYSA-N 0 0 456.630 7.105 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCSc3ccc(Cl)cc3)c2)cc1 ZINC000030866034 556383073 /nfs/dbraw/zinc/38/30/73/556383073.db2.gz ZKPQYQMUNYQDCE-UHFFFAOYSA-N 0 0 467.034 7.011 40 0 JKABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc6ccccc65)nc4nc3C2)c(OC)c1 ZINC000019816919 556383384 /nfs/dbraw/zinc/38/33/84/556383384.db2.gz GWLMEDFHOASTMU-LJQANCHMSA-N 0 0 496.592 5.500 40 0 JKABRN CCSc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030867283 556383688 /nfs/dbraw/zinc/38/36/88/556383688.db2.gz QLXWDEFBWAFADT-UHFFFAOYSA-N 0 0 475.035 5.594 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000019818172 556385202 /nfs/dbraw/zinc/38/52/02/556385202.db2.gz HTBGANPASYLWHR-FTJBHMTQSA-N 0 0 491.632 5.623 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019818223 556385209 /nfs/dbraw/zinc/38/52/09/556385209.db2.gz RMBDATDCKXFIQH-NHCUHLMSSA-N 0 0 474.388 5.505 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 ZINC000030871907 556385387 /nfs/dbraw/zinc/38/53/87/556385387.db2.gz JMPBYHQXLPVETE-RUZDIDTESA-N 0 0 466.603 5.322 40 0 JKABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1)c1ccc(C)cc1 ZINC000030871426 556385434 /nfs/dbraw/zinc/38/54/34/556385434.db2.gz ULKJKKHVVJYAKM-DEOSSOPVSA-N 0 0 468.644 5.423 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000030872029 556385462 /nfs/dbraw/zinc/38/54/62/556385462.db2.gz QXKZCMDRJYWNCR-NDEPHWFRSA-N 0 0 484.621 5.481 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc2ccccc21 ZINC000019818284 556385475 /nfs/dbraw/zinc/38/54/75/556385475.db2.gz RBXQBWHBGDRONA-JWQCQUIFSA-N 0 0 455.558 5.351 40 0 JKABRN CCc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000030872189 556385467 /nfs/dbraw/zinc/38/54/67/556385467.db2.gz RKOYXOYOAQSUKE-HHHXNRCGSA-N 0 0 494.657 5.357 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000030872629 556385751 /nfs/dbraw/zinc/38/57/51/556385751.db2.gz XFNSQTKTORMLMP-DEOSSOPVSA-N 0 0 487.021 5.667 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 ZINC000030872874 556385769 /nfs/dbraw/zinc/38/57/69/556385769.db2.gz SMJFQURWDIXICQ-UHFFFAOYSA-N 0 0 453.322 5.494 40 0 JKABRN CCSc1ccccc1NC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 ZINC000030872386 556385821 /nfs/dbraw/zinc/38/58/21/556385821.db2.gz ZBXBNHXAKIVSHC-UHFFFAOYSA-N 0 0 454.617 5.195 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc4ccccc4c3)c2)cc1 ZINC000030873527 556386152 /nfs/dbraw/zinc/38/61/52/556386152.db2.gz FGSFIDJLSBLSFJ-UHFFFAOYSA-N 0 0 450.947 5.855 40 0 JKABRN C[C@H](C(=O)N1CCC(C)CC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Nc3cccc(F)c3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030884209 556387371 /nfs/dbraw/zinc/38/73/71/556387371.db2.gz GFAOSOYTERUXJP-WJLKHZGZSA-N 0 0 487.660 5.034 40 0 biogenic,in-vitro JKABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 ZINC000019820140 556389045 /nfs/dbraw/zinc/38/90/45/556389045.db2.gz IHZMFACMOARGNC-ZEQRLZLVSA-N 0 0 471.582 5.074 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030943340 556389100 /nfs/dbraw/zinc/38/91/00/556389100.db2.gz GWIDONIBWFTWTL-LJQANCHMSA-N 0 0 463.405 5.801 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030943178 556389228 /nfs/dbraw/zinc/38/92/28/556389228.db2.gz RTFBRAMBFKBAIJ-HXUWFJFHSA-N 0 0 467.396 6.075 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 ZINC000019820555 556389966 /nfs/dbraw/zinc/38/99/66/556389966.db2.gz BLRRWCHSSGOLMG-RPBOFIJWSA-N 0 0 485.609 5.116 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000019820467 556389984 /nfs/dbraw/zinc/38/99/84/556389984.db2.gz HLTKOPOHYIPMBU-RPWUZVMVSA-N 0 0 473.960 5.048 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1Cl ZINC000019820672 556390452 /nfs/dbraw/zinc/39/04/52/556390452.db2.gz FVTAJAYEILTCLF-DNQXCXABSA-N 0 0 473.960 5.048 40 0 JKABRN CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C ZINC000031501001 556398195 /nfs/dbraw/zinc/39/81/95/556398195.db2.gz SOFRKDBOODGBCL-WSEKOOAMSA-N 0 0 460.743 6.501 40 0 JKABRN Cc1ccc(C(=O)N[C@H](N[C@@H](NC(=O)c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000031716265 556402329 /nfs/dbraw/zinc/40/23/29/556402329.db2.gz KETRINJJULJWGI-KYJUHHDHSA-N 0 0 491.635 6.067 40 0 JKABRN S=C1SCN(C(c2ccccc2)c2ccccc2)CN1C(c1ccccc1)c1ccccc1 ZINC000031729031 556402384 /nfs/dbraw/zinc/40/23/84/556402384.db2.gz ZSDHLCFBFGFLGL-UHFFFAOYSA-N 0 0 466.675 7.116 40 0 JKABRN CCCC[C@@H](CC)COC(=O)CCCCCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000031771212 556402963 /nfs/dbraw/zinc/40/29/63/556402963.db2.gz MTPSFISGWJGUGN-WMPKNSHKSA-N 0 0 454.736 8.407 40 0 JKABRN CCCC[C@@H](CC)COC(=O)CCCCCCCCCCC(=O)OC[C@H](CC)CCCC ZINC000031771214 556402989 /nfs/dbraw/zinc/40/29/89/556402989.db2.gz MTPSFISGWJGUGN-CLJLJLNGSA-N 0 0 454.736 8.407 40 0 JKABRN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(-c5ccco5)c4[C@H]3c3ccccc3F)c2c1 ZINC000031807532 556405334 /nfs/dbraw/zinc/40/53/34/556405334.db2.gz JGMLXVKCVMEUEB-RUZDIDTESA-N 0 0 456.477 5.087 40 0 JKABRN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(-c5ccco5)c4[C@@H]3c3ccccc3F)c2c1 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ZINC000032115497 556422678 /nfs/dbraw/zinc/42/26/78/556422678.db2.gz WDEXIBGLZWKFNQ-UHFFFAOYSA-N 0 0 492.334 6.515 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)cc1OC ZINC000032115560 556423048 /nfs/dbraw/zinc/42/30/48/556423048.db2.gz FDHIZCCIIFSTTC-XNTDXEJSSA-N 0 0 453.608 5.474 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115606 556423068 /nfs/dbraw/zinc/42/30/68/556423068.db2.gz WSIADIYDRUSJLB-QHHAFSJGSA-N 0 0 479.697 7.385 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)cc1C ZINC000032116466 556423674 /nfs/dbraw/zinc/42/36/74/556423674.db2.gz MMRYARHNSZRNQM-UHFFFAOYSA-N 0 0 477.589 6.905 40 0 JKABRN Cc1ccc(OCC(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c(C)c1 ZINC000032116494 556423881 /nfs/dbraw/zinc/42/38/81/556423881.db2.gz PCBYTSUTPRGBOM-UHFFFAOYSA-N 0 0 459.571 5.620 40 0 JKABRN Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000032116693 556424880 /nfs/dbraw/zinc/42/48/80/556424880.db2.gz 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556425731 /nfs/dbraw/zinc/42/57/31/556425731.db2.gz VCHJJTKLLRHSFB-UHFFFAOYSA-N 0 0 455.377 6.914 40 0 JKABRN Cc1c(Br)ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c1C ZINC000032124573 556427227 /nfs/dbraw/zinc/42/72/27/556427227.db2.gz ZEZSZZBUXBSYJD-UHFFFAOYSA-N 0 0 453.336 5.605 40 0 JKABRN O=C(COC(=O)c1cccc(Cl)c1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000032124601 556427252 /nfs/dbraw/zinc/42/72/52/556427252.db2.gz GRGVNPOAMDPBPG-UHFFFAOYSA-N 0 0 482.989 5.006 40 0 JKABRN CCOC(=O)c1c(NC(=O)Cn2ccc3cc(Br)ccc32)sc2c1CCCC2 ZINC000032124655 556427440 /nfs/dbraw/zinc/42/74/40/556427440.db2.gz BSQSRJABERYUNT-UHFFFAOYSA-N 0 0 461.381 5.160 40 0 JKABRN CC(=O)Nc1ccccc1SCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000032124757 556427817 /nfs/dbraw/zinc/42/78/17/556427817.db2.gz GCUGXQJKKGAJRL-UHFFFAOYSA-N 0 0 493.654 5.246 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000032125155 556429099 /nfs/dbraw/zinc/42/90/99/556429099.db2.gz XNYDDKRZFSXPRL-UHFFFAOYSA-N 0 0 471.601 5.098 40 0 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/nfs/dbraw/zinc/59/65/63/569596563.db2.gz BAGNZJIREMUIDA-UHFFFAOYSA-N 0 0 465.800 6.098 40 0 JKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000057313292 569596599 /nfs/dbraw/zinc/59/65/99/569596599.db2.gz YNBYUYLINFWLAW-QGZVFWFLSA-N 0 0 470.679 6.092 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000057313549 569596659 /nfs/dbraw/zinc/59/66/59/569596659.db2.gz DKPMQUMLCFSVTF-NTCAYCPXSA-N 0 0 497.601 6.455 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000057313755 569596686 /nfs/dbraw/zinc/59/66/86/569596686.db2.gz WLOKGQROFWYYMN-SDNWHVSQSA-N 0 0 499.979 6.935 40 0 JKABRN Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(-c4ccc(Br)cc4)o3)c2n1 ZINC000057313574 569596704 /nfs/dbraw/zinc/59/67/04/569596704.db2.gz RQIKVMQGCNIUSO-UHFFFAOYSA-N 0 0 466.360 5.693 40 0 JKABRN CC(C)c1ccc2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3)nc2c1 ZINC000057313556 569596722 /nfs/dbraw/zinc/59/67/22/569596722.db2.gz XTIKSJIHAHZZHM-UHFFFAOYSA-N 0 0 470.613 7.712 40 0 JKABRN Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c2n1 ZINC000057314143 569596783 /nfs/dbraw/zinc/59/67/83/569596783.db2.gz RFNVUSPUJBLZIE-UHFFFAOYSA-N 0 0 456.354 6.237 40 0 JKABRN COc1cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cccs1 ZINC000057314107 569596785 /nfs/dbraw/zinc/59/67/85/569596785.db2.gz HXLINRGXTIAPET-UHFFFAOYSA-N 0 0 466.603 6.103 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Br)cc1I ZINC000057314115 569596793 /nfs/dbraw/zinc/59/67/93/569596793.db2.gz VHGAJMLLIRETAJ-DHZHZOJOSA-N 0 0 494.126 5.966 40 0 JKABRN Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1 ZINC000057314016 569596797 /nfs/dbraw/zinc/59/67/97/569596797.db2.gz XJXHIJARKNACFP-UHFFFAOYSA-N 0 0 465.351 5.288 40 0 JKABRN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000057314123 569596847 /nfs/dbraw/zinc/59/68/47/569596847.db2.gz AXZPPRFXVIZLBP-ZRDIBKRKSA-N 0 0 454.979 6.130 40 0 JKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000057314161 569596936 /nfs/dbraw/zinc/59/69/36/569596936.db2.gz GZIYALIFEWRSHD-UHFFFAOYSA-N 0 0 464.477 5.866 40 0 JKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000057314187 569596967 /nfs/dbraw/zinc/59/69/67/569596967.db2.gz LGFBEZGKPCIDHS-UHFFFAOYSA-N 0 0 455.297 6.659 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)ccc3o2)c(C)c1 ZINC000057315623 569597153 /nfs/dbraw/zinc/59/71/53/569597153.db2.gz MPKVCNBHGQLSLO-UHFFFAOYSA-N 0 0 456.586 7.205 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1Cl ZINC000057315810 569597216 /nfs/dbraw/zinc/59/72/16/569597216.db2.gz XAVJVNZDVXCBOF-JLHYYAGUSA-N 0 0 484.943 6.303 40 0 JKABRN COc1cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000057315721 569597235 /nfs/dbraw/zinc/59/72/35/569597235.db2.gz BRWVCLPPAOOFCJ-UHFFFAOYSA-N 0 0 495.019 6.695 40 0 JKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1 ZINC000057315826 569597258 /nfs/dbraw/zinc/59/72/58/569597258.db2.gz ONQISWMWMSSWCU-UHFFFAOYSA-N 0 0 484.640 7.886 40 0 JKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000057315713 569597264 /nfs/dbraw/zinc/59/72/64/569597264.db2.gz SRSUOBAHHUSMAB-UHFFFAOYSA-N 0 0 470.569 6.779 40 0 JKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000057315769 569597266 /nfs/dbraw/zinc/59/72/66/569597266.db2.gz KVJXVYIKWHQVCG-UHFFFAOYSA-N 0 0 461.993 6.977 40 0 JKABRN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc5nsnc5c4)c3)nc2c1 ZINC000057315798 569597279 /nfs/dbraw/zinc/59/72/79/569597279.db2.gz QGAJRPMZELWEIY-UHFFFAOYSA-N 0 0 473.583 5.497 40 0 JKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000057315835 569597282 /nfs/dbraw/zinc/59/72/82/569597282.db2.gz MTVCJZQUTPNHFU-UHFFFAOYSA-N 0 0 464.993 6.686 40 0 JKABRN COc1c(Cl)cc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc1Cl ZINC000057315742 569597283 /nfs/dbraw/zinc/59/72/83/569597283.db2.gz BZCAJJODXFGEBE-UHFFFAOYSA-N 0 0 485.820 6.651 40 0 JKABRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)cc2s1 ZINC000057316021 569597338 /nfs/dbraw/zinc/59/73/38/569597338.db2.gz NNRSRGQGYHWRAO-UHFFFAOYSA-N 0 0 490.610 5.351 40 0 JKABRN CCOc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000057315899 569597380 /nfs/dbraw/zinc/59/73/80/569597380.db2.gz OTFADPJNXAOHBQ-JQIJEIRASA-N 0 0 464.525 6.040 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)ccc3o2)cc1 ZINC000057316113 569597429 /nfs/dbraw/zinc/59/74/29/569597429.db2.gz MUIWWOYJAYXOMW-DTQAZKPQSA-N 0 0 495.560 6.290 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000057316139 569597477 /nfs/dbraw/zinc/59/74/77/569597477.db2.gz VFXKHHWWSSXAOW-JQIJEIRASA-N 0 0 481.602 6.750 40 0 JKABRN CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)ccc3O)nc2c1 ZINC000057316155 569597507 /nfs/dbraw/zinc/59/75/07/569597507.db2.gz PFTOJWOPMLMMFN-UHFFFAOYSA-N 0 0 489.582 5.455 40 0 JKABRN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc5nsnc5c4)c3)oc2c1 ZINC000057316197 569597597 /nfs/dbraw/zinc/59/75/97/569597597.db2.gz BCPYPSCRQUZHAN-UHFFFAOYSA-N 0 0 459.556 5.243 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000057316340 569597637 /nfs/dbraw/zinc/59/76/37/569597637.db2.gz FECJOPCNOHIKGQ-UHFFFAOYSA-N 0 0 493.810 5.566 40 0 JKABRN COc1ccc(Cl)cc1C(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057316374 569597693 /nfs/dbraw/zinc/59/76/93/569597693.db2.gz NLDLIBUQHYVHSA-UHFFFAOYSA-N 0 0 479.783 5.176 40 0 JKABRN CC(C)c1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057316431 569597755 /nfs/dbraw/zinc/59/77/55/569597755.db2.gz NXAIALVCTOYXSE-UHFFFAOYSA-N 0 0 457.393 5.637 40 0 JKABRN CC(C)COc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057316391 569597769 /nfs/dbraw/zinc/59/77/69/569597769.db2.gz QVFHMEQQYVJDNN-UHFFFAOYSA-N 0 0 487.419 5.548 40 0 JKABRN CC(C)Oc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057316386 569597774 /nfs/dbraw/zinc/59/77/74/569597774.db2.gz PQHZIRJYWCSVMG-UHFFFAOYSA-N 0 0 473.392 5.301 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)cc2)CC1 ZINC000057316546 569597869 /nfs/dbraw/zinc/59/78/69/569597869.db2.gz HWFQTZHCVFOTAU-VGOFMYFVSA-N 0 0 492.689 5.031 40 0 JKABRN NC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2 ZINC000057316554 569597870 /nfs/dbraw/zinc/59/78/70/569597870.db2.gz MLYNNMSMKKRIAC-UHFFFAOYSA-N 0 0 480.398 5.029 40 0 JKABRN COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Br ZINC000057317035 569598253 /nfs/dbraw/zinc/59/82/53/569598253.db2.gz WNDVADCJPFWQON-UHFFFAOYSA-N 0 0 465.141 5.410 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317043 569598254 /nfs/dbraw/zinc/59/82/54/569598254.db2.gz SQMRTQXUMYAAIY-UHFFFAOYSA-N 0 0 455.135 5.955 40 0 JKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000057317028 569598258 /nfs/dbraw/zinc/59/82/58/569598258.db2.gz DSVRCKNOOBEJPW-UHFFFAOYSA-N 0 0 491.168 7.206 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317070 569598330 /nfs/dbraw/zinc/59/83/30/569598330.db2.gz PAZSLWNEMGOSOM-RUDMXATFSA-N 0 0 481.173 6.354 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317069 569598340 /nfs/dbraw/zinc/59/83/40/569598340.db2.gz SGSASCJFOPHOKP-SDNWHVSQSA-N 0 0 482.761 6.952 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)CC1 ZINC000057317126 569598343 /nfs/dbraw/zinc/59/83/43/569598343.db2.gz GULHCZZHKIHUSU-UHFFFAOYSA-N 0 0 478.818 5.050 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317065 569598345 /nfs/dbraw/zinc/59/83/45/569598345.db2.gz JBRAZHKBSNBEMO-ONNFQVAWSA-N 0 0 451.147 6.346 40 0 JKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000057317073 569598353 /nfs/dbraw/zinc/59/83/53/569598353.db2.gz KDAVODNWXSGVDT-UHFFFAOYSA-N 0 0 456.723 6.553 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000057317159 569598355 /nfs/dbraw/zinc/59/83/55/569598355.db2.gz BYHFTVPTMGAFHI-UHFFFAOYSA-N 0 0 479.665 5.475 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000057317134 569598357 /nfs/dbraw/zinc/59/83/57/569598357.db2.gz DVFAGXIOTKMYBU-KRWDZBQOSA-N 0 0 478.420 5.094 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 ZINC000057317140 569598365 /nfs/dbraw/zinc/59/83/65/569598365.db2.gz JAQQHIFBPNJSTB-WYMLVPIESA-N 0 0 492.019 5.947 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317064 569598369 /nfs/dbraw/zinc/59/83/69/569598369.db2.gz BLSRSTVWQXNPCK-GFCCVEGCSA-N 0 0 469.162 6.100 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317068 569598373 /nfs/dbraw/zinc/59/83/73/569598373.db2.gz YGJONWUXJZEQIE-NYYWCZLTSA-N 0 0 491.179 5.810 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)c1 ZINC000057317221 569598445 /nfs/dbraw/zinc/59/84/45/569598445.db2.gz VFCWQBZUPMCJSB-UHFFFAOYSA-N 0 0 487.600 5.089 40 0 JKABRN COc1cc2ccccc2cc1C(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317259 569598461 /nfs/dbraw/zinc/59/84/61/569598461.db2.gz GQUXBLGRTVCANS-UHFFFAOYSA-N 0 0 452.835 5.021 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 ZINC000057317242 569598479 /nfs/dbraw/zinc/59/84/79/569598479.db2.gz GQFKZBONQWDGLT-UHFFFAOYSA-N 0 0 458.883 5.056 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317317 569598548 /nfs/dbraw/zinc/59/85/48/569598548.db2.gz IIWRZQPQLPJLGV-NSCUHMNNSA-N 0 0 497.703 5.574 40 0 JKABRN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317267 569598551 /nfs/dbraw/zinc/59/85/51/569598551.db2.gz VHLXBMPTXDQHRJ-UHFFFAOYSA-N 0 0 473.253 5.772 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 ZINC000057317310 569598596 /nfs/dbraw/zinc/59/85/96/569598596.db2.gz 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S=C(c1ccc(OCc2cccc3ccccc32)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000034896651 569669566 /nfs/dbraw/zinc/66/95/66/569669566.db2.gz KYQDELZQPOCQNQ-UHFFFAOYSA-N 0 0 452.623 5.912 40 0 JKABRN COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(Cl)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000034902770 569670065 /nfs/dbraw/zinc/67/00/65/569670065.db2.gz NNFQKXFZWNMLJS-NNZRCDHMSA-N 0 0 486.999 6.794 40 0 JKABRN CC[C@@H](C)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1Br ZINC000034956076 569673539 /nfs/dbraw/zinc/67/35/39/569673539.db2.gz HSWMNRLBQHICRL-GFCCVEGCSA-N 0 0 455.190 6.051 40 0 JKABRN COc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3OC)n2)cc1Br ZINC000034967120 569673708 /nfs/dbraw/zinc/67/37/08/569673708.db2.gz OZCCJZABZZOIAZ-UHFFFAOYSA-N 0 0 488.190 6.149 40 0 JKABRN COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n2)cc1Br ZINC000034967303 569673712 /nfs/dbraw/zinc/67/37/12/569673712.db2.gz IFIPQSGTYHZXHN-UHFFFAOYSA-N 0 0 489.778 6.747 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N2C(=N1)SC[C@]2(O)N(c1ccccc1)C(C)C ZINC000035005980 569673756 /nfs/dbraw/zinc/67/37/56/569673756.db2.gz AECAFTBYXLTOEZ-WNJJXGMVSA-N 0 0 498.652 5.620 40 0 JKABRN COc1c(Br)cc(CNc2ccc(Br)cc2C)cc1Br ZINC000035018455 569673783 /nfs/dbraw/zinc/67/37/83/569673783.db2.gz FFZZPTMRXCVTCM-UHFFFAOYSA-N 0 0 463.995 5.903 40 0 JKABRN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000035047627 569674032 /nfs/dbraw/zinc/67/40/32/569674032.db2.gz DIWPHWXMASNSSP-BPXKWBHBSA-N 0 0 486.399 5.269 40 0 JKABRN CCOc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000035057158 569674146 /nfs/dbraw/zinc/67/41/46/569674146.db2.gz PAHZGLXWLPBDIV-UHFFFAOYSA-N 0 0 499.268 5.961 40 0 JKABRN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)ccc3o2)c1 ZINC000035086065 569674565 /nfs/dbraw/zinc/67/45/65/569674565.db2.gz PTUMCBUYKFTUNX-UHFFFAOYSA-N 0 0 481.577 6.807 40 0 JKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000035087474 569674577 /nfs/dbraw/zinc/67/45/77/569674577.db2.gz DDULGFIFOOJJIJ-QFIPXVFZSA-N 0 0 483.977 5.125 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1Cl ZINC000035086712 569674612 /nfs/dbraw/zinc/67/46/12/569674612.db2.gz PQSSKAMRTYZVII-UHFFFAOYSA-N 0 0 485.776 5.465 40 0 JKABRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000035088267 569674703 /nfs/dbraw/zinc/67/47/03/569674703.db2.gz DPTCGNHTEDVTHX-YSMPRRRNSA-N 0 0 499.636 5.332 40 0 JKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccccc2F)c(OCC)c1 ZINC000035125216 569675144 /nfs/dbraw/zinc/67/51/44/569675144.db2.gz PXRQUKXTUJUFLZ-HSZRJFAPSA-N 0 0 468.550 5.571 40 0 JKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1 ZINC000035131124 569675336 /nfs/dbraw/zinc/67/53/36/569675336.db2.gz QRCBERNNCKDWQF-UHFFFAOYSA-N 0 0 467.407 6.258 40 0 JKABRN Cc1ccc(COc2c(Br)cc(C(=S)N3CCCC3)cc2Br)cc1 ZINC000035145057 569675669 /nfs/dbraw/zinc/67/56/69/569675669.db2.gz XAZNHVNVUOFQSK-UHFFFAOYSA-N 0 0 469.242 5.870 40 0 JKABRN CCOc1cc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035147362 569675936 /nfs/dbraw/zinc/67/59/36/569675936.db2.gz ZDASUXIZYPOEAI-VWLOTQADSA-N 0 0 459.933 5.893 40 0 JKABRN CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn([C@H](C)OCC)n2)cc1 ZINC000065740880 569676598 /nfs/dbraw/zinc/67/65/98/569676598.db2.gz SIUCBZKBNAMBCG-SFHVURJKSA-N 0 0 493.011 5.615 40 0 in-vitro JKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000035166807 569677081 /nfs/dbraw/zinc/67/70/81/569677081.db2.gz NKIUSSKKWIKCOD-NRFANRHFSA-N 0 0 475.397 6.340 40 0 JKABRN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000035167828 569677203 /nfs/dbraw/zinc/67/72/03/569677203.db2.gz IGFVALMAAIHJKI-QKFKETGDSA-N 0 0 460.521 5.579 40 0 JKABRN CCCOc1c(I)cc(C(=O)Nc2ccccc2Br)cc1OC ZINC000035169043 569677219 /nfs/dbraw/zinc/67/72/19/569677219.db2.gz CRGVTOYZQLSDNG-UHFFFAOYSA-N 0 0 490.135 5.103 40 0 JKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000035176909 569677374 /nfs/dbraw/zinc/67/73/74/569677374.db2.gz VXCKJQFGZJGOAH-UHFFFAOYSA-N 0 0 460.386 5.980 40 0 JKABRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccccc1 ZINC000035170204 569677390 /nfs/dbraw/zinc/67/73/90/569677390.db2.gz MMBLNPXVDWCJTL-XHPQRKPJSA-N 0 0 460.533 6.109 40 0 JKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCc1ccccc1 ZINC000035177746 569677538 /nfs/dbraw/zinc/67/75/38/569677538.db2.gz DSHJITGWRSBFJW-UHFFFAOYSA-N 0 0 473.956 7.362 40 0 JKABRN CCOc1ccc2nc(NC(=S)NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2c1 ZINC000035200033 569678116 /nfs/dbraw/zinc/67/81/16/569678116.db2.gz FTKUNNQQNPXIRJ-UHFFFAOYSA-N 0 0 482.439 6.343 40 0 JKABRN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000035240720 569678733 /nfs/dbraw/zinc/67/87/33/569678733.db2.gz BUCTVZAYAUIYCP-SFHVURJKSA-N 0 0 481.061 7.366 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000035263700 569678933 /nfs/dbraw/zinc/67/89/33/569678933.db2.gz CRTHXKNRCUPSMM-KPKJPENVSA-N 0 0 496.375 5.320 40 0 JKABRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035264245 569679095 /nfs/dbraw/zinc/67/90/95/569679095.db2.gz DVTJEAZXKSEMHK-VZUCSPMQSA-N 0 0 456.285 5.806 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Cl ZINC000035270349 569679217 /nfs/dbraw/zinc/67/92/17/569679217.db2.gz TXGFWONZYFPCJS-UHFFFAOYSA-N 0 0 488.396 5.771 40 0 JKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(COc2ccccc2)cc1 ZINC000035270377 569679310 /nfs/dbraw/zinc/67/93/10/569679310.db2.gz CGUUXKUFODWNNB-UHFFFAOYSA-N 0 0 482.923 5.972 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035271581 569679333 /nfs/dbraw/zinc/67/93/33/569679333.db2.gz CTKSLVLDAKRMJB-OVCLIPMQSA-N 0 0 478.017 6.242 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Cl ZINC000035271054 569679346 /nfs/dbraw/zinc/67/93/46/569679346.db2.gz ZKFAQCWUXYXZDA-UHFFFAOYSA-N 0 0 458.370 5.681 40 0 JKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000035273288 569679347 /nfs/dbraw/zinc/67/93/47/569679347.db2.gz XBHCTKFQVLYUQO-UHFFFAOYSA-N 0 0 485.721 5.164 40 0 JKABRN CCc1ccc(N(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)cc1 ZINC000035288784 569679527 /nfs/dbraw/zinc/67/95/27/569679527.db2.gz XAFYFJNZMGCJCR-NDEPHWFRSA-N 0 0 497.664 6.696 40 0 JKABRN Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000035288642 569679589 /nfs/dbraw/zinc/67/95/89/569679589.db2.gz IIKYBDXKZZPKMF-UHFFFAOYSA-N 0 0 489.001 5.074 40 0 JKABRN Cc1ccc2cc3cc(C(=O)O[C@@H](C(=O)NC[C@H]4CCCO4)c4ccccc4F)sc3nc2c1 ZINC000035288797 569679654 /nfs/dbraw/zinc/67/96/54/569679654.db2.gz JWEZNLNULJBFSA-WZONZLPQSA-N 0 0 478.545 5.090 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1cccs1)c1ccc(F)cc1 ZINC000035291619 569679665 /nfs/dbraw/zinc/67/96/65/569679665.db2.gz OVMITQPNGVWFNF-AREMUKBSSA-N 0 0 487.600 6.272 40 0 JKABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCc1cc(=O)[nH]c2ccccc12 ZINC000035289738 569679723 /nfs/dbraw/zinc/67/97/23/569679723.db2.gz ZOXKDTUHMTVWMD-UHFFFAOYSA-N 0 0 474.615 5.167 40 0 JKABRN COc1c(I)cc(C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1 ZINC000035302665 569679858 /nfs/dbraw/zinc/67/98/58/569679858.db2.gz CVYVFYFMYPKHGW-UHFFFAOYSA-N 0 0 473.310 5.440 40 0 JKABRN COc1ccccc1N(C(=O)c1ccc(O)cc1)[C@@H](C(=O)NC1CCCC1)c1ccc2ncccc2c1 ZINC000035315993 569680500 /nfs/dbraw/zinc/68/05/00/569680500.db2.gz OBHWQUCBFWLRGX-MUUNZHRXSA-N 0 0 495.579 5.396 40 0 JKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000035352167 569681821 /nfs/dbraw/zinc/68/18/21/569681821.db2.gz GFVALXUGKSJUAZ-RUZDIDTESA-N 0 0 491.613 5.397 40 0 JKABRN O=C(c1cccs1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035374446 569684177 /nfs/dbraw/zinc/68/41/77/569684177.db2.gz PWKSSDCACWBRAM-LOCCHRAXSA-N 0 0 467.015 5.220 40 0 JKABRN O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035374443 569684205 /nfs/dbraw/zinc/68/42/05/569684205.db2.gz PWKSSDCACWBRAM-UMCMBGNQSA-N 0 0 467.015 5.220 40 0 JKABRN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccs2)[C@@H](c2ccc(Cl)cc2)[C@H]2CSCN21 ZINC000035375594 569684591 /nfs/dbraw/zinc/68/45/91/569684591.db2.gz RGTNNAVPXXMIQX-BBNRHVKASA-N 0 0 497.041 5.229 40 0 JKABRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000035391945 569687050 /nfs/dbraw/zinc/68/70/50/569687050.db2.gz VGTQURCBKMLVFM-LPKQAODOSA-N 0 0 453.541 6.263 40 0 JKABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)CC1 ZINC000035394596 569687245 /nfs/dbraw/zinc/68/72/45/569687245.db2.gz ZAFIZJODBHRSQY-QPJJXVBHSA-N 0 0 496.822 5.366 40 0 JKABRN C[C@H]1CC[C@@H]2[C@H](CC[C@H](C)N2C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 ZINC000035396498 569687362 /nfs/dbraw/zinc/68/73/62/569687362.db2.gz MXFPPEOATZCSBR-RBPRZQKGSA-N 0 0 456.512 5.844 40 0 JKABRN Clc1ccc(-c2csc(N3N=C(c4cnccn4)C[C@H]3c3ccc4c(c3)OCO4)n2)cc1 ZINC000068603576 569691462 /nfs/dbraw/zinc/69/14/62/569691462.db2.gz TYSNMHXYIKIHEO-FQEVSTJZSA-N 0 0 461.934 5.338 40 0 JKABRN Cl[C@@]1(c2ccccc2)C(=C(c2ccccc2)c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000068603892 569691498 /nfs/dbraw/zinc/69/14/98/569691498.db2.gz WFKDVVPWZJKAFW-PGUFJCEWSA-N 0 0 481.038 9.247 40 0 JKABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)n2C)c1 ZINC000035419636 569692257 /nfs/dbraw/zinc/69/22/57/569692257.db2.gz YVDYWEPEWAZOJU-UHFFFAOYSA-N 0 0 471.797 5.394 40 0 JKABRN Nc1c(Br)cc2nc(Cc3ccc(Br)cc3)oc2c1Br ZINC000070461414 569695255 /nfs/dbraw/zinc/69/52/55/569695255.db2.gz RUCOOQGZAWWYDT-UHFFFAOYSA-N 0 0 460.951 5.288 40 0 JKABRN Nc1c(Br)cc2nc(-c3cccc4c(Cl)cccc34)oc2c1Br ZINC000070461318 569695284 /nfs/dbraw/zinc/69/52/84/569695284.db2.gz CDEHQAUBBMHOIY-UHFFFAOYSA-N 0 0 452.533 6.409 40 0 JKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@H]32)C1 ZINC000070673153 569695608 /nfs/dbraw/zinc/69/56/08/569695608.db2.gz CZCROZIJKBXZDP-HNQADATPSA-N 0 0 456.667 6.285 40 0 biogenic JKABRN CCCCCCc1nc(-c2nc(CCCCCC)c(Br)s2)sc1Br ZINC000071261108 569696040 /nfs/dbraw/zinc/69/60/40/569696040.db2.gz CUEAYYKPBOHFDR-UHFFFAOYSA-N 0 0 494.362 8.037 40 0 JKABRN O=S(=O)(N=[S@@](=O)(c1ccccc1)[C@H](F)c1ccccc1Br)c1ccccc1 ZINC000071256991 569696105 /nfs/dbraw/zinc/69/61/05/569696105.db2.gz MIYACOAPRFDWQW-AFMDSPMNSA-N 0 0 468.369 5.333 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000071405099 569697070 /nfs/dbraw/zinc/69/70/70/569697070.db2.gz RPYJMFAWPDHBGJ-AUJBFMOVSA-N 0 0 478.658 5.255 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000071405100 569697088 /nfs/dbraw/zinc/69/70/88/569697088.db2.gz RPYJMFAWPDHBGJ-MFWYUJQYSA-N 0 0 478.658 5.255 40 0 JKABRN CC(C)n1c(/C=C\[C@@H](O)CC(=O)CC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)c2ccccc21 ZINC000071609610 569697207 /nfs/dbraw/zinc/69/72/07/569697207.db2.gz CHEYRYWZYKYUHU-DDAIRQTISA-N 0 0 465.565 6.093 40 0 JKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072214717 569700064 /nfs/dbraw/zinc/70/00/64/569700064.db2.gz UEBQDVGCXUIPRD-JOCHJYFZSA-N 0 0 473.639 5.457 40 0 JKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214709 569700071 /nfs/dbraw/zinc/70/00/71/569700071.db2.gz QMCWHPCHSWWRGQ-JOCHJYFZSA-N 0 0 453.583 6.097 40 0 JKABRN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214588 569700096 /nfs/dbraw/zinc/70/00/96/569700096.db2.gz VHGCQBWTSGILNT-QHCPKHFHSA-N 0 0 467.610 6.343 40 0 JKABRN O=C(c1ccc(-c2nc3ccccc3o2)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000072193681 569700127 /nfs/dbraw/zinc/70/01/27/569700127.db2.gz JANCZSPNYLTDAX-UHFFFAOYSA-N 0 0 452.341 5.764 40 0 JKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214708 569700140 /nfs/dbraw/zinc/70/01/40/569700140.db2.gz QMCWHPCHSWWRGQ-QFIPXVFZSA-N 0 0 453.583 6.097 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072215069 569700156 /nfs/dbraw/zinc/70/01/56/569700156.db2.gz RCFDCCKQCSFUJQ-HSZRJFAPSA-N 0 0 467.610 6.487 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215109 569700183 /nfs/dbraw/zinc/70/01/83/569700183.db2.gz WLYSYNQHLRVSOP-DENIHFKCSA-N 0 0 453.583 6.095 40 0 JKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214949 569700188 /nfs/dbraw/zinc/70/01/88/569700188.db2.gz IPTRKGWLRXZTSV-JOCHJYFZSA-N 0 0 453.583 6.095 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N(C(=O)OC(C)(C)C)C(C)C)cc1 ZINC000072214927 569700224 /nfs/dbraw/zinc/70/02/24/569700224.db2.gz JHGBWKQOKPEOEA-OAQYLSRUSA-N 0 0 459.612 5.066 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072215185 569700238 /nfs/dbraw/zinc/70/02/38/569700238.db2.gz QIVKARIPPPQGCR-OFNKIYASSA-N 0 0 487.666 5.846 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072215132 569700245 /nfs/dbraw/zinc/70/02/45/569700245.db2.gz QTNZALPHFGRRKU-UGKGYDQZSA-N 0 0 473.639 5.456 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1)C1CCCC1 ZINC000072215557 569700251 /nfs/dbraw/zinc/70/02/51/569700251.db2.gz PFTJCIHHZQJTCH-QHCPKHFHSA-N 0 0 465.594 6.239 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1)C1CC1 ZINC000072215352 569700260 /nfs/dbraw/zinc/70/02/60/569700260.db2.gz XFOSIQRZJYYXJP-QFIPXVFZSA-N 0 0 451.567 5.849 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1)C1CCC1 ZINC000072215532 569700274 /nfs/dbraw/zinc/70/02/74/569700274.db2.gz OBWIMJGKKZQOMZ-QHCPKHFHSA-N 0 0 465.594 6.239 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072215282 569700276 /nfs/dbraw/zinc/70/02/76/569700276.db2.gz SEKWYZCTOVIYQE-REWPJTCUSA-N 0 0 467.610 6.485 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CC3)nc2)cc1 ZINC000072215360 569700283 /nfs/dbraw/zinc/70/02/83/569700283.db2.gz HRXJTCVLBZZIQV-JOCHJYFZSA-N 0 0 471.623 5.210 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N(C(=O)OC(C)(C)C)C2CCC2)cc1 ZINC000072215541 569700292 /nfs/dbraw/zinc/70/02/92/569700292.db2.gz CICLYRMCLZADOA-QHCPKHFHSA-N 0 0 485.650 5.600 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CCC3)nc2)cc1 ZINC000072215480 569700296 /nfs/dbraw/zinc/70/02/96/569700296.db2.gz DLBNGEHZRKCDIS-HSZRJFAPSA-N 0 0 485.650 5.600 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1)C1CCC1 ZINC000072215437 569700305 /nfs/dbraw/zinc/70/03/05/569700305.db2.gz CVKXVTHUENWKDH-QFIPXVFZSA-N 0 0 451.567 5.849 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CCCC3)nc2)cc1 ZINC000072215571 569700307 /nfs/dbraw/zinc/70/03/07/569700307.db2.gz RTBBRWVXFYJRPE-HSZRJFAPSA-N 0 0 485.650 5.600 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215297 569700340 /nfs/dbraw/zinc/70/03/40/569700340.db2.gz YKMAMMHUROOUQS-OFNKIYASSA-N 0 0 487.666 5.846 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CCCCC1 ZINC000072215719 569700354 /nfs/dbraw/zinc/70/03/54/569700354.db2.gz QUBIJGQDVPKVNH-XMMPIXPASA-N 0 0 463.622 6.523 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215771 569700377 /nfs/dbraw/zinc/70/03/77/569700377.db2.gz LYMQLOLFHSZZLY-NRFANRHFSA-N 0 0 459.631 6.618 40 0 JKABRN CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215722 569700412 /nfs/dbraw/zinc/70/04/12/569700412.db2.gz TZNYWKRFRJOXOT-UHFFFAOYSA-N 0 0 475.630 6.034 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CCCCC1 ZINC000072215710 569700415 /nfs/dbraw/zinc/70/04/15/569700415.db2.gz CIANFFCDBVMRQV-OAQYLSRUSA-N 0 0 459.631 6.618 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072215893 569700467 /nfs/dbraw/zinc/70/04/67/569700467.db2.gz ZKNJOWRITNTSLT-RUZDIDTESA-N 0 0 487.600 7.019 40 0 JKABRN CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC000072216492 569700553 /nfs/dbraw/zinc/70/05/53/569700553.db2.gz QHZLQEAVCLNCFY-QHCPKHFHSA-N 0 0 480.609 5.003 40 0 JKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)c(C)c3s2)n1 ZINC000072228841 569700561 /nfs/dbraw/zinc/70/05/61/569700561.db2.gz JPNGJPCBBOCQJB-UHFFFAOYSA-N 0 0 454.983 5.695 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072215899 569700565 /nfs/dbraw/zinc/70/05/65/569700565.db2.gz JZLOPMNPSACMFE-XMMPIXPASA-N 0 0 457.574 6.522 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc2c(Br)cccc12 ZINC000072229889 569700655 /nfs/dbraw/zinc/70/06/55/569700655.db2.gz PXNHIHZDYCFTSO-QHCPKHFHSA-N 0 0 466.762 6.590 40 0 JKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4Cl)c(C)c3s2)n1 ZINC000072228856 569700667 /nfs/dbraw/zinc/70/06/67/569700667.db2.gz ARKWLXKDFLMWDD-UHFFFAOYSA-N 0 0 469.010 6.003 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1Br ZINC000072229987 569700770 /nfs/dbraw/zinc/70/07/70/569700770.db2.gz FJBOKAROETXMBO-OAQYLSRUSA-N 0 0 460.755 5.835 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230073 569700834 /nfs/dbraw/zinc/70/08/34/569700834.db2.gz MBRWOZAGTFMXFT-YEJXKQKISA-N 0 0 450.749 6.135 40 0 JKABRN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230087 569700858 /nfs/dbraw/zinc/70/08/58/569700858.db2.gz FYAQCWMQIOONIA-MUUNZHRXSA-N 0 0 473.956 6.018 40 0 JKABRN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(C4CCCCC4)cc3)cc12 ZINC000035533882 569701246 /nfs/dbraw/zinc/70/12/46/569701246.db2.gz FHZIFZUIMZBTED-UHFFFAOYSA-N 0 0 489.063 7.325 40 0 JKABRN CCOc1ccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000035533955 569701309 /nfs/dbraw/zinc/70/13/09/569701309.db2.gz ZUEJKFDQUVIORB-UHFFFAOYSA-N 0 0 454.505 5.531 40 0 JKABRN Cc1ccc(NC(=O)COc2c(Br)cc(C=O)cc2Br)cc1Cl ZINC000035668626 569706063 /nfs/dbraw/zinc/70/60/63/569706063.db2.gz LLBMTNZLKPEFPI-UHFFFAOYSA-N 0 0 461.537 5.003 40 0 JKABRN COc1cc(Oc2ccnc3cc(OC)c(OC)cc32)ccc1NC(=O)N[C@H](C)c1cncs1 ZINC000072319806 569702108 /nfs/dbraw/zinc/70/21/08/569702108.db2.gz ZATITKHAYUKSBY-CQSZACIVSA-N 0 0 480.546 5.392 40 0 JKABRN COc1cc(Oc2ccnc3cc(OC)c(OC)cc32)ccc1NC(=O)N[C@@H](C)c1cncs1 ZINC000072319805 569702128 /nfs/dbraw/zinc/70/21/28/569702128.db2.gz ZATITKHAYUKSBY-AWEZNQCLSA-N 0 0 480.546 5.392 40 0 JKABRN Cc1[nH]c2ccc(F)cc2c1C(=O)CSc1nnc(-c2ccsc2)c(-c2ccsc2)n1 ZINC000072338744 569703435 /nfs/dbraw/zinc/70/34/35/569703435.db2.gz ZVOXNXQUFSTHCN-UHFFFAOYSA-N 0 0 466.588 6.232 40 0 JKABRN O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000072341226 569703443 /nfs/dbraw/zinc/70/34/43/569703443.db2.gz YWWCLTNCJSUOIE-UHFFFAOYSA-N 0 0 499.558 6.551 40 0 JKABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)C3)cc2n1 ZINC000072341329 569703512 /nfs/dbraw/zinc/70/35/12/569703512.db2.gz LNZHMARXVGPKCZ-KRWDZBQOSA-N 0 0 492.501 5.795 40 0 JKABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)C3)cc2n1 ZINC000072341328 569703541 /nfs/dbraw/zinc/70/35/41/569703541.db2.gz LNZHMARXVGPKCZ-QGZVFWFLSA-N 0 0 492.501 5.795 40 0 JKABRN CC(C)(C)OC(=O)N[C@H]1CCc2nc(-c3cccnc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000072341343 569703553 /nfs/dbraw/zinc/70/35/53/569703553.db2.gz GCSLWZVTURVULM-SFHVURJKSA-N 0 0 485.510 5.683 40 0 JKABRN CC(C)(C)C(=O)N1CCc2nc(-c3ccncc3)nc(Nc3cc(Cl)ccc3C(F)(F)F)c2C1 ZINC000072341356 569703557 /nfs/dbraw/zinc/70/35/57/569703557.db2.gz LVMMKNPEHAQZEK-UHFFFAOYSA-N 0 0 489.929 5.885 40 0 JKABRN c1ccc(CN2CN(Cc3ccccc3)C3C2N(Cc2ccccc2)CN3Cc2ccccc2)cc1 ZINC000072419131 569704118 /nfs/dbraw/zinc/70/41/18/569704118.db2.gz OTMSHYNJUAEKHY-UHFFFAOYSA-N 0 0 474.652 5.590 40 0 JKABRN Cc1nn2c(nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)c1-c1ccccc1 ZINC000072461589 569704236 /nfs/dbraw/zinc/70/42/36/569704236.db2.gz AUOGPLJAVHGZOL-UHFFFAOYSA-N 0 0 463.364 5.235 40 0 JKABRN O=S(=O)(NCCc1c2cc(F)ccc2[nH]c1-c1ccccn1)c1ccc(Oc2ccccc2)cc1 ZINC000073633063 569704530 /nfs/dbraw/zinc/70/45/30/569704530.db2.gz VNOKMAGPOVQKSC-UHFFFAOYSA-N 0 0 487.556 5.682 40 0 JKABRN Cc1c2oc(-c3cc(Cl)ccc3Cl)nc2c(Br)c(N)c1Br ZINC000073639526 569704538 /nfs/dbraw/zinc/70/45/38/569704538.db2.gz GDBDGFYBGDVDDM-UHFFFAOYSA-N 0 0 450.945 6.217 40 0 JKABRN O=C([O-])[C@H](c1ccccc1)[N@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1cccc(F)c1 ZINC000073633184 569704575 /nfs/dbraw/zinc/70/45/75/569704575.db2.gz LFLXAXZXPKDMOL-NDEPHWFRSA-N 0 0 455.529 6.233 40 0 JKABRN COC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2Br)o1 ZINC000073638357 569704583 /nfs/dbraw/zinc/70/45/83/569704583.db2.gz JHXZSALZTHTXLP-HWKANZROSA-N 0 0 464.935 5.420 40 0 JKABRN O=C([O-])C[N@H+](Cc1ccc(OCc2ccc(OCc3ccccc3)cc2)cc1)Cc1cccc(F)c1 ZINC000073633157 569704602 /nfs/dbraw/zinc/70/46/02/569704602.db2.gz WDPJADKYLCCCDT-UHFFFAOYSA-N 0 0 485.555 6.071 40 0 JKABRN CCc1c2oc(-c3cccc4c(Cl)cccc34)nc2c(Br)c(N)c1Br ZINC000073642697 569704735 /nfs/dbraw/zinc/70/47/35/569704735.db2.gz HMUBKLUCQWXZTQ-UHFFFAOYSA-N 0 0 480.587 6.971 40 0 JKABRN CCOc1ccc(-c2ncc(-c3ccc(OCCCCCCCCCCCO)cc3)cn2)cc1 ZINC000035585941 569705026 /nfs/dbraw/zinc/70/50/26/569705026.db2.gz QBHFDUXITSGDNN-UHFFFAOYSA-N 0 0 462.634 7.091 40 0 JKABRN C[C@]12CC[C@@H]3c4ccc(O[C@@H]5CCCCO5)cc4[C@H](O)C[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1CCCCO1 ZINC000077273406 569705329 /nfs/dbraw/zinc/70/53/29/569705329.db2.gz MCLZNKNXAOPACD-OOWJUEDTSA-N 0 0 456.623 5.851 40 0 in-vitro JKABRN Brc1cc(-c2cc(Br)c(Br)s2)sc1Br ZINC000035618392 569705570 /nfs/dbraw/zinc/70/55/70/569705570.db2.gz BFEVWSRLCFSTRU-UHFFFAOYSA-N 0 0 481.854 6.527 40 0 JKABRN C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccc2c(c1)OCO2)CC(=O)O3 ZINC000079188705 569707016 /nfs/dbraw/zinc/70/70/16/569707016.db2.gz CINYCWKQJMPHMI-IBGMVYNLSA-N 0 0 492.524 5.044 40 0 JKABRN C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccsc1)CC(=O)O3 ZINC000079191637 569707103 /nfs/dbraw/zinc/70/71/03/569707103.db2.gz XRHQUVWGGSCSKX-UPQWKRSISA-N 0 0 454.544 5.377 40 0 JKABRN 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Cc1c2ccccc2oc1-c1nnc2sc(-c3cccc(OCc4ccccc4Cl)c3)nn21 ZINC000096194224 569737298 /nfs/dbraw/zinc/73/72/98/569737298.db2.gz YFYYMELPVWEUCH-UHFFFAOYSA-N 0 0 472.957 6.807 40 0 JKABRN COC(=O)c1c(/C=C/c2ccc(-c3ccc(OCc4ccccc4)cc3)s2)cccc1OC ZINC000035973543 569739877 /nfs/dbraw/zinc/73/98/77/569739877.db2.gz PITCKLJFGUUIEZ-DTQAZKPQSA-N 0 0 456.563 6.960 40 0 JKABRN COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CSc2ccccn2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000096398701 569740312 /nfs/dbraw/zinc/74/03/12/569740312.db2.gz TUKGITGPLOTJJJ-RUDRRMSPSA-N 0 0 499.636 6.014 40 0 JKABRN Cc1cccc(NC(=O)Cn2c(=O)sc3c2S[C@@H]2[C@H]([C@@H]4CC[C@H]2C4)[C@H]3c2ccc(Cl)cc2)c1 ZINC000035982636 569742820 /nfs/dbraw/zinc/74/28/20/569742820.db2.gz OIABOPRIYUXOBS-VBRDXMQMSA-N 0 0 497.085 6.163 40 0 JKABRN Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@@H]3C2=O)c(C)c1 ZINC000096791724 569743021 /nfs/dbraw/zinc/74/30/21/569743021.db2.gz JFEJDPZSSDQMOB-XWGVYQGASA-N 0 0 491.385 5.425 40 0 JKABRN 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JKABRN Clc1ccc(/N=c2/scc(-c3ccc(Br)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000100840979 569772044 /nfs/dbraw/zinc/77/20/44/569772044.db2.gz BPWRPWYYDKIMSR-NJNXFGOHSA-N 0 0 476.226 7.508 40 0 JKABRN COC(=O)[C@@]1(O)C[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1(C)C ZINC000036371215 569773506 /nfs/dbraw/zinc/77/35/06/569773506.db2.gz NCUBJGUKZKTGRU-BBVAXXKBSA-N 0 0 458.727 7.178 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H](O)c1ccccc1F ZINC000100899779 569774695 /nfs/dbraw/zinc/77/46/95/569774695.db2.gz BTMZUQIPLOYBMO-NSRBUOEKSA-N 0 0 482.617 7.965 40 0 JKABRN C[C@@H]1C/C(=C/c2ccc(Cl)cc2)C2=NN(C(=O)C(F)(F)F)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000036398776 569775246 /nfs/dbraw/zinc/77/52/46/569775246.db2.gz ONVSAZJRVSLQAC-ZJPWNJHHSA-N 0 0 467.318 6.925 40 0 JKABRN Cc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000100912521 569775388 /nfs/dbraw/zinc/77/53/88/569775388.db2.gz DXFCJMTVHHWCEW-OAQYLSRUSA-N 0 0 484.499 5.690 40 0 JKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](OC(C)=O)CC(=O)O3)[C@H]21 ZINC000036454924 569776187 /nfs/dbraw/zinc/77/61/87/569776187.db2.gz OHVWRJDVJRNCPE-BIKFJBPRSA-N 0 0 460.611 5.156 40 0 in-vitro JKABRN Cc1ccc(NC(=O)Cn2c(=O)sc3c2S[C@@H]2[C@H]([C@@H]4CC[C@H]2C4)[C@@H]3c2cccs2)cc1 ZINC000036580098 569776887 /nfs/dbraw/zinc/77/68/87/569776887.db2.gz ZJMRIKJITQOFAO-GBOFZUNWSA-N 0 0 468.669 5.571 40 0 JKABRN Cc1cc(C)c(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)c(C)c1 ZINC000100949538 569777741 /nfs/dbraw/zinc/77/77/41/569777741.db2.gz WHEUFGRVKOTSBF-KZQOYIJHSA-N 0 0 462.549 5.816 40 0 JKABRN COc1cc(CNCc2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000036612577 569777787 /nfs/dbraw/zinc/77/77/87/569777787.db2.gz SWECBFFMWRSVDI-UHFFFAOYSA-N 0 0 469.379 5.073 40 0 JKABRN COc1ccc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@@]3(C)[C@H]2OC(C)=O)cc1 ZINC000036612206 569777822 /nfs/dbraw/zinc/77/78/22/569777822.db2.gz 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CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000106724868 569855198 /nfs/dbraw/zinc/85/51/98/569855198.db2.gz PLELPVISUFJMMC-HMAPJEAMSA-N 0 0 482.399 6.628 40 0 JKABRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OCC ZINC000106724933 569855202 /nfs/dbraw/zinc/85/52/02/569855202.db2.gz LEFZAZCAXFVUKD-MOSHPQCFSA-N 0 0 476.392 5.873 40 0 JKABRN O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1Br ZINC000106732343 569855205 /nfs/dbraw/zinc/85/52/05/569855205.db2.gz CRCWLZQKOPHUGP-ODLFYWEKSA-N 0 0 458.308 6.085 40 0 JKABRN CCCn1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)c2ccccc21 ZINC000106727735 569855222 /nfs/dbraw/zinc/85/52/22/569855222.db2.gz XLMZENRYDOHQKI-NDENLUEZSA-N 0 0 455.377 6.050 40 0 JKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1OC ZINC000106732494 569855249 /nfs/dbraw/zinc/85/52/49/569855249.db2.gz BMVRCFCINUCQAS-GQFJFNLSSA-N 0 0 476.392 5.872 40 0 JKABRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000106732362 569855255 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JKABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222995723 569896439 /nfs/dbraw/zinc/89/64/39/569896439.db2.gz GCBGHJGUYFKCFJ-XZOQPEGZSA-N 0 0 455.027 5.070 40 0 JKABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222995607 569896445 /nfs/dbraw/zinc/89/64/45/569896445.db2.gz GCBGHJGUYFKCFJ-GOTSBHOMSA-N 0 0 455.027 5.070 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1Cl ZINC000222995885 569896464 /nfs/dbraw/zinc/89/64/64/569896464.db2.gz DKAPIGPGANCTLL-KRWDZBQOSA-N 0 0 451.394 5.014 40 0 JKABRN CCOc1ccc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(CC)cc3)cc2)S(C)(=O)=O)cc1 ZINC000222999699 569896575 /nfs/dbraw/zinc/89/65/75/569896575.db2.gz UTULCEITFHKGFK-FQEVSTJZSA-N 0 0 480.630 5.105 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223008222 569896655 /nfs/dbraw/zinc/89/66/55/569896655.db2.gz ZINFABMCWLIKEJ-AWEZNQCLSA-N 0 0 455.813 5.521 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223008523 569896656 /nfs/dbraw/zinc/89/66/56/569896656.db2.gz WDPHOILZPPRIGA-SFHVURJKSA-N 0 0 491.503 6.556 40 0 JKABRN COc1ccc(OCCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223010222 569896719 /nfs/dbraw/zinc/89/67/19/569896719.db2.gz FKKKVABLBGTBQN-KRWDZBQOSA-N 0 0 495.447 5.493 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223010128 569896720 /nfs/dbraw/zinc/89/67/20/569896720.db2.gz DKEJOXZFBOLHCT-MRXNPFEDSA-N 0 0 499.866 6.138 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223009754 569896764 /nfs/dbraw/zinc/89/67/64/569896764.db2.gz AUPDLJWMWBDSRW-HXUWFJFHSA-N 0 0 453.435 5.088 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)ccc1Cl ZINC000223013227 569896850 /nfs/dbraw/zinc/89/68/50/569896850.db2.gz XVOYTDKUVPLPBI-HNNXBMFYSA-N 0 0 485.839 5.666 40 0 JKABRN COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000223018465 569896948 /nfs/dbraw/zinc/89/69/48/569896948.db2.gz BGMHNFXHPXONNX-AREMUKBSSA-N 0 0 492.641 5.086 40 0 JKABRN CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019938 569896971 /nfs/dbraw/zinc/89/69/71/569896971.db2.gz MEHUOVGQMGYPLK-POURPWNDSA-N 0 0 484.665 6.221 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223024700 569897044 /nfs/dbraw/zinc/89/70/44/569897044.db2.gz PVYXIBZKMOSPMK-MHZLTWQESA-N 0 0 493.047 5.303 40 0 JKABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000223023861 569897074 /nfs/dbraw/zinc/89/70/74/569897074.db2.gz YAPJWPKIHDTPIO-QRWLVFNGSA-N 0 0 499.460 5.347 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223026548 569897096 /nfs/dbraw/zinc/89/70/96/569897096.db2.gz PGZALQPBFCWRPC-VWLOTQADSA-N 0 0 497.060 5.682 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223026783 569897119 /nfs/dbraw/zinc/89/71/19/569897119.db2.gz BLIPQXKBLVEBQL-HUUCEWRRSA-N 0 0 471.812 5.358 40 0 JKABRN CC[C@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223025821 569897122 /nfs/dbraw/zinc/89/71/22/569897122.db2.gz KLTUJTUDVMMECF-MHZLTWQESA-N 0 0 490.669 5.645 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223025173 569897123 /nfs/dbraw/zinc/89/71/23/569897123.db2.gz PGFZUBBPECNTPH-AREMUKBSSA-N 0 0 476.642 5.337 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223028413 569897155 /nfs/dbraw/zinc/89/71/55/569897155.db2.gz JJPXDULGKOJRAF-HZPDHXFCSA-N 0 0 453.435 5.418 40 0 JKABRN COc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223027548 569897165 /nfs/dbraw/zinc/89/71/65/569897165.db2.gz TYNPGQMZOXEJMT-QGZVFWFLSA-N 0 0 463.043 5.163 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223026957 569897173 /nfs/dbraw/zinc/89/71/73/569897173.db2.gz BLIPQXKBLVEBQL-GJZGRUSLSA-N 0 0 471.812 5.358 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223028315 569897180 /nfs/dbraw/zinc/89/71/80/569897180.db2.gz ISSVNPOZLFKKLJ-RUZDIDTESA-N 0 0 480.605 5.167 40 0 JKABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000223029781 569897231 /nfs/dbraw/zinc/89/72/31/569897231.db2.gz QBYMBWNSPVVNGV-RTWAWAEBSA-N 0 0 472.408 5.031 40 0 JKABRN COc1cccc(CN(C(=O)CSCc2c(F)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223028611 569897239 /nfs/dbraw/zinc/89/72/39/569897239.db2.gz AVSRKBXLGNRDPW-MRXNPFEDSA-N 0 0 481.033 5.053 40 0 JKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000223029813 569897241 /nfs/dbraw/zinc/89/72/41/569897241.db2.gz ZOTVHPTYBVQORI-HXUWFJFHSA-N 0 0 470.613 6.521 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223030236 569897249 /nfs/dbraw/zinc/89/72/49/569897249.db2.gz XIYJJMCOJPUNIL-IAGOWNOFSA-N 0 0 467.462 5.559 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223030051 569897267 /nfs/dbraw/zinc/89/72/67/569897267.db2.gz VZWKTMBGRUWPSJ-DLBZAZTESA-N 0 0 467.462 5.559 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1Cl ZINC000223029846 569897285 /nfs/dbraw/zinc/89/72/85/569897285.db2.gz FTCUJRHNPYLCRT-SJORKVTESA-N 0 0 467.462 5.559 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)CCCC2 ZINC000223030883 569897336 /nfs/dbraw/zinc/89/73/36/569897336.db2.gz FZBCAADDUYYXRO-MHZLTWQESA-N 0 0 476.642 5.337 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223031044 569897345 /nfs/dbraw/zinc/89/73/45/569897345.db2.gz CWXILLWVGTVLST-DLBZAZTESA-N 0 0 467.462 5.808 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000223032833 569897396 /nfs/dbraw/zinc/89/73/96/569897396.db2.gz NKEBIDCRNVQPJY-HZPDHXFCSA-N 0 0 485.452 5.698 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)CCCC2 ZINC000223034174 569897449 /nfs/dbraw/zinc/89/74/49/569897449.db2.gz XOPQMMYGKNEVSZ-HHHXNRCGSA-N 0 0 494.632 5.476 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223036330 569897486 /nfs/dbraw/zinc/89/74/86/569897486.db2.gz PRCUYGREOLCZBY-OAHLLOKOSA-N 0 0 483.859 5.138 40 0 JKABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000223040914 569897536 /nfs/dbraw/zinc/89/75/36/569897536.db2.gz TUKAUYGQARAIOT-BJKOFHAPSA-N 0 0 469.054 5.460 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1)c1ccc2c(c1)CCCC2 ZINC000223042338 569897563 /nfs/dbraw/zinc/89/75/63/569897563.db2.gz DOJXNLWXNYTDMX-MHZLTWQESA-N 0 0 492.641 5.037 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1)c1ccc2c(c1)CCCC2 ZINC000223042277 569897573 /nfs/dbraw/zinc/89/75/73/569897573.db2.gz DOJXNLWXNYTDMX-HHHXNRCGSA-N 0 0 492.641 5.037 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223044803 569897619 /nfs/dbraw/zinc/89/76/19/569897619.db2.gz MRBWDXWKRZCHFZ-QGZVFWFLSA-N 0 0 451.394 5.014 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223044861 569897642 /nfs/dbraw/zinc/89/76/42/569897642.db2.gz MRBWDXWKRZCHFZ-KRWDZBQOSA-N 0 0 451.394 5.014 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223046057 569897689 /nfs/dbraw/zinc/89/76/89/569897689.db2.gz GEPJDQKRQFNKAR-AREMUKBSSA-N 0 0 497.060 5.682 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000223048433 569897737 /nfs/dbraw/zinc/89/77/37/569897737.db2.gz HNZRJEQNUOSWGJ-SFHVURJKSA-N 0 0 465.034 5.354 40 0 JKABRN CC[C@H](NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223047633 569897741 /nfs/dbraw/zinc/89/77/41/569897741.db2.gz FGUUZZAENRWZQA-SANMLTNESA-N 0 0 476.642 5.413 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000223048377 569897743 /nfs/dbraw/zinc/89/77/43/569897743.db2.gz HNZRJEQNUOSWGJ-GOSISDBHSA-N 0 0 465.034 5.354 40 0 JKABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(CSc2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000223050273 569897765 /nfs/dbraw/zinc/89/77/65/569897765.db2.gz RIKGSFSSTCBFBI-UHFFFAOYSA-N 0 0 490.597 5.442 40 0 JKABRN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)c(C)c1 ZINC000223050770 569897770 /nfs/dbraw/zinc/89/77/70/569897770.db2.gz LYQQIWJCRMFZGT-NRFANRHFSA-N 0 0 479.042 5.103 40 0 JKABRN COc1cccc(CN(C(=O)CC(c2ccccc2)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223050651 569897798 /nfs/dbraw/zinc/89/77/98/569897798.db2.gz BVMLJVASTIBHMY-QFIPXVFZSA-N 0 0 472.629 5.549 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1)c1ccc2c(c1)CCCC2 ZINC000223053941 569897838 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CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223303388 569906744 /nfs/dbraw/zinc/90/67/44/569906744.db2.gz LPNJCDAIPZLEBU-QCDSWUKFSA-N 0 0 484.684 6.297 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223310521 569906963 /nfs/dbraw/zinc/90/69/63/569906963.db2.gz QZWLNSLKEGZCIP-HSZRJFAPSA-N 0 0 475.098 6.243 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000223307832 569906813 /nfs/dbraw/zinc/90/68/13/569906813.db2.gz QBGVCCFFUUMUPR-OOWIMERYSA-N 0 0 492.663 6.327 40 0 JKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1C(C)C ZINC000223308814 569906833 /nfs/dbraw/zinc/90/68/33/569906833.db2.gz BCGGRWAVMHJLOU-KRWDZBQOSA-N 0 0 479.042 5.056 40 0 JKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1C(C)C ZINC000223308188 569906839 /nfs/dbraw/zinc/90/68/39/569906839.db2.gz SQMJNYCXMIIAKI-HXUWFJFHSA-N 0 0 472.651 5.101 40 0 JKABRN 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0 0 476.455 6.443 40 0 JKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1C(C)C ZINC000223328355 569907702 /nfs/dbraw/zinc/90/77/02/569907702.db2.gz OTRGZLNRTULDAI-QGZVFWFLSA-N 0 0 462.428 6.269 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl ZINC000223328794 569907704 /nfs/dbraw/zinc/90/77/04/569907704.db2.gz NQAANUHGYOJUNP-HNNXBMFYSA-N 0 0 455.813 5.523 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)cc1Cl ZINC000223328536 569907708 /nfs/dbraw/zinc/90/77/08/569907708.db2.gz SVXVVDUNWZMTQQ-QGZVFWFLSA-N 0 0 478.203 5.232 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccc(Cl)cc1 ZINC000223329323 569907729 /nfs/dbraw/zinc/90/77/29/569907729.db2.gz XHMOQPNDVZSELG-GOSISDBHSA-N 0 0 459.826 5.292 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223329889 569907738 /nfs/dbraw/zinc/90/77/38/569907738.db2.gz KCVNITLLLVRXAF-OAQYLSRUSA-N 0 0 467.462 5.397 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223329278 569907747 /nfs/dbraw/zinc/90/77/47/569907747.db2.gz XQICSYMPPDJDMU-CQSZACIVSA-N 0 0 473.803 5.662 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223329330 569907764 /nfs/dbraw/zinc/90/77/64/569907764.db2.gz XQICSYMPPDJDMU-AWEZNQCLSA-N 0 0 473.803 5.662 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc(C)cc1 ZINC000223331226 569907791 /nfs/dbraw/zinc/90/77/91/569907791.db2.gz LPUGYASDOLCHEE-QGZVFWFLSA-N 0 0 467.462 5.728 40 0 JKABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccc(Cl)cc1 ZINC000223330672 569907795 /nfs/dbraw/zinc/90/77/95/569907795.db2.gz MLCGAXINMNHAFO-IBGZPJMESA-N 0 0 473.853 5.682 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223330403 569907798 /nfs/dbraw/zinc/90/77/98/569907798.db2.gz SPEQUQBCLOIJBF-OAHLLOKOSA-N 0 0 471.812 5.359 40 0 JKABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223333056 569907830 /nfs/dbraw/zinc/90/78/30/569907830.db2.gz UNLUDBZNIKQJMZ-JTSKRJEESA-N 0 0 481.058 5.202 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223331805 569907853 /nfs/dbraw/zinc/90/78/53/569907853.db2.gz CBOGGOQFAXZOBD-SFHVURJKSA-N 0 0 481.489 5.869 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1C ZINC000223331673 569907858 /nfs/dbraw/zinc/90/78/58/569907858.db2.gz KABGUCRDBVIPOU-SFHVURJKSA-N 0 0 481.489 5.869 40 0 JKABRN Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1Cl ZINC000223336814 569907883 /nfs/dbraw/zinc/90/78/83/569907883.db2.gz FTVLFSLYZBSDPH-FCHUYYIVSA-N 0 0 452.942 5.431 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1Cc1ccco1 ZINC000223335275 569907897 /nfs/dbraw/zinc/90/78/97/569907897.db2.gz UTEDPFKRKIQTSW-VXKWHMMOSA-N 0 0 457.584 5.248 40 0 JKABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1Cl ZINC000223336869 569907925 /nfs/dbraw/zinc/90/79/25/569907925.db2.gz FTVLFSLYZBSDPH-VXKWHMMOSA-N 0 0 452.942 5.431 40 0 JKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C(C)C ZINC000223339633 569907966 /nfs/dbraw/zinc/90/79/66/569907966.db2.gz FIQRCTGGTIPNPZ-OAQYLSRUSA-N 0 0 463.643 6.789 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000223346499 569908057 /nfs/dbraw/zinc/90/80/57/569908057.db2.gz YAUUPODOVIVVDC-VAVYLYDRSA-N 0 0 470.657 5.791 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223345105 569908099 /nfs/dbraw/zinc/90/80/99/569908099.db2.gz YDDDPJCHPJAOON-QFIPXVFZSA-N 0 0 479.448 5.875 40 0 JKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223347857 569908100 /nfs/dbraw/zinc/90/81/00/569908100.db2.gz CGILDVZCRGQEAT-HHHXNRCGSA-N 0 0 493.047 5.584 40 0 JKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1 ZINC000223347668 569908135 /nfs/dbraw/zinc/90/81/35/569908135.db2.gz ZDATYVNYKAUSJE-IEUUHXEXSA-N 0 0 486.637 6.170 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223348299 569908162 /nfs/dbraw/zinc/90/81/62/569908162.db2.gz BEWQDNQARGTZMY-NRFANRHFSA-N 0 0 465.421 5.403 40 0 JKABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000223348167 569908183 /nfs/dbraw/zinc/90/81/83/569908183.db2.gz DSPWZJCMOKDNRL-XMMPIXPASA-N 0 0 469.412 6.036 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(CC)cc1 ZINC000223351614 569908278 /nfs/dbraw/zinc/90/82/78/569908278.db2.gz JJUWMZWTVCADSW-SANMLTNESA-N 0 0 479.020 5.057 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1Cl ZINC000223351568 569908294 /nfs/dbraw/zinc/90/82/94/569908294.db2.gz KGARYGHITBYCCF-GJZUVCINSA-N 0 0 493.047 5.582 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223351865 569908299 /nfs/dbraw/zinc/90/82/99/569908299.db2.gz NBSADGJLNIJRPB-NRFANRHFSA-N 0 0 475.029 5.012 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223351759 569908322 /nfs/dbraw/zinc/90/83/22/569908322.db2.gz ARFAGUPYJUYPTE-MHZLTWQESA-N 0 0 493.047 5.618 40 0 JKABRN COc1cc(C)c([C@H](C)NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223353318 569908330 /nfs/dbraw/zinc/90/83/30/569908330.db2.gz AXKOBORBANJEAT-SFHVURJKSA-N 0 0 481.058 5.204 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C ZINC000223354556 569908389 /nfs/dbraw/zinc/90/83/89/569908389.db2.gz HIMGKZZIHQYQCN-NAKRPHOHSA-N 0 0 486.656 5.545 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CC)cc1 ZINC000223354806 569908424 /nfs/dbraw/zinc/90/84/24/569908424.db2.gz FHSTZZMOASATOJ-GIGWZHCTSA-N 0 0 486.656 5.491 40 0 JKABRN COc1cc(C)c([C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1C(C)C ZINC000223355784 569908449 /nfs/dbraw/zinc/90/84/49/569908449.db2.gz YINKTJTWWKCQIK-IBGZPJMESA-N 0 0 451.994 6.850 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Br)cc2)N1Cc1ccco1 ZINC000223356856 569908539 /nfs/dbraw/zinc/90/85/39/569908539.db2.gz IISARGGMMZCVCQ-FGZHOGPDSA-N 0 0 479.403 5.401 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000223358359 569908557 /nfs/dbraw/zinc/90/85/57/569908557.db2.gz PUKSIXOMJALUDT-UFHPHHKVSA-N 0 0 456.630 5.401 40 0 JKABRN O=C(CCc1ccccc1)N(Cc1ccccc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223358247 569908570 /nfs/dbraw/zinc/90/85/70/569908570.db2.gz GHUVQDMGDTXSOW-LJAQVGFWSA-N 0 0 463.581 5.101 40 0 JKABRN COc1ccccc1CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223358765 569908576 /nfs/dbraw/zinc/90/85/76/569908576.db2.gz SHDCKBHZTQKICN-WJOKGBTCSA-N 0 0 492.619 5.714 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc3ccccc3c2)N1Cc1ccco1 ZINC000223359934 569908614 /nfs/dbraw/zinc/90/86/14/569908614.db2.gz FROWCSDNJIDEFD-CLJLJLNGSA-N 0 0 450.567 5.791 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223359690 569908630 /nfs/dbraw/zinc/90/86/30/569908630.db2.gz GZHFSJFIUSEGDQ-HNNXBMFYSA-N 0 0 455.813 5.523 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223359168 569908639 /nfs/dbraw/zinc/90/86/39/569908639.db2.gz QWQCYZXWPGYDPU-HXUWFJFHSA-N 0 0 469.840 5.911 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000223359449 569908644 /nfs/dbraw/zinc/90/86/44/569908644.db2.gz XNYUZRXJINQTQS-HXUWFJFHSA-N 0 0 469.840 5.911 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223360106 569908648 /nfs/dbraw/zinc/90/86/48/569908648.db2.gz GKTAQYFYRRIBKN-MXBOTTGLSA-N 0 0 498.711 6.606 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223361095 569908662 /nfs/dbraw/zinc/90/86/62/569908662.db2.gz YXIHNVRIIUJAGF-SFHVURJKSA-N 0 0 465.421 5.323 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223360597 569908677 /nfs/dbraw/zinc/90/86/77/569908677.db2.gz LUBWYYTXXVZUMN-LJQANCHMSA-N 0 0 485.839 5.748 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000223360386 569908691 /nfs/dbraw/zinc/90/86/91/569908691.db2.gz DSALOIVOTRRNOY-DEOSSOPVSA-N 0 0 485.411 5.148 40 0 JKABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223360675 569908700 /nfs/dbraw/zinc/90/87/00/569908700.db2.gz MWAUJQIVEYUETI-NRFANRHFSA-N 0 0 465.421 5.223 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1Cc1ccco1 ZINC000223361766 569908714 /nfs/dbraw/zinc/90/87/14/569908714.db2.gz KMUGGCKYGZMFNI-YADHBBJMSA-N 0 0 480.387 5.870 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C ZINC000223361684 569908742 /nfs/dbraw/zinc/90/87/42/569908742.db2.gz XHBJZCVLGLJGQY-JOCHJYFZSA-N 0 0 461.071 5.604 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223361742 569908747 /nfs/dbraw/zinc/90/87/47/569908747.db2.gz NTZOWOMMLULIPJ-GOSISDBHSA-N 0 0 495.447 5.495 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223362226 569908784 /nfs/dbraw/zinc/90/87/84/569908784.db2.gz ZBKNDQVRBTTYCK-OAQYLSRUSA-N 0 0 481.489 5.949 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223362272 569908804 /nfs/dbraw/zinc/90/88/04/569908804.db2.gz PJDGPIVQHKOEMD-DEOSSOPVSA-N 0 0 487.402 5.451 40 0 JKABRN CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223363432 569908806 /nfs/dbraw/zinc/90/88/06/569908806.db2.gz GJHXHYLFSFNRCN-HHHXNRCGSA-N 0 0 479.020 5.195 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1Cc1ccco1 ZINC000223363310 569908826 /nfs/dbraw/zinc/90/88/26/569908826.db2.gz SRPGBPGAXOOAOK-VXKWHMMOSA-N 0 0 470.381 6.414 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1Cc1ccco1 ZINC000223363080 569908838 /nfs/dbraw/zinc/90/88/38/569908838.db2.gz ROYMGELGJCUYLQ-VXKWHMMOSA-N 0 0 470.381 6.414 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1Cc1ccco1 ZINC000223363493 569908840 /nfs/dbraw/zinc/90/88/40/569908840.db2.gz BDYUQPSFGIAQFJ-VXKWHMMOSA-N 0 0 470.381 6.414 40 0 JKABRN O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223363174 569908841 /nfs/dbraw/zinc/90/88/41/569908841.db2.gz WUUFOXCRMHHUBE-MUUNZHRXSA-N 0 0 483.999 5.364 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223362885 569908846 /nfs/dbraw/zinc/90/88/46/569908846.db2.gz XURPTARQYOBRPH-FDDCHVKYSA-N 0 0 495.085 5.511 40 0 JKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223363395 569908847 /nfs/dbraw/zinc/90/88/47/569908847.db2.gz SEBDGEAGIFHMEW-XMMPIXPASA-N 0 0 485.411 5.148 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223363005 569908850 /nfs/dbraw/zinc/90/88/50/569908850.db2.gz VYEIKIPUVYQTMN-JOCHJYFZSA-N 0 0 461.071 5.853 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223363656 569908875 /nfs/dbraw/zinc/90/88/75/569908875.db2.gz SBIWXIZVUDKWRN-NRFANRHFSA-N 0 0 499.479 6.088 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223364086 569908881 /nfs/dbraw/zinc/90/88/81/569908881.db2.gz YFBSOAHVABLMNW-VWLOTQADSA-N 0 0 481.061 5.517 40 0 JKABRN Fc1cc(Br)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223364061 569908892 /nfs/dbraw/zinc/90/88/92/569908892.db2.gz LHNSCNDUJUMBBW-FCHUYYIVSA-N 0 0 498.377 6.009 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223364487 569908925 /nfs/dbraw/zinc/90/89/25/569908925.db2.gz NCYDZVSNIMPWAX-MRXNPFEDSA-N 0 0 485.839 5.668 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(CC)cc1 ZINC000223364841 569908954 /nfs/dbraw/zinc/90/89/54/569908954.db2.gz HQCBLONNJKTGIE-QGZVFWFLSA-N 0 0 465.421 5.268 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1F ZINC000223366518 569908959 /nfs/dbraw/zinc/90/89/59/569908959.db2.gz SJPMAIRPEWXNGQ-NVQXNPDNSA-N 0 0 476.592 5.068 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1F ZINC000223366469 569908963 /nfs/dbraw/zinc/90/89/63/569908963.db2.gz SJPMAIRPEWXNGQ-GJZUVCINSA-N 0 0 476.592 5.068 40 0 JKABRN O=C(COc1ccccc1)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000223365839 569908965 /nfs/dbraw/zinc/90/89/65/569908965.db2.gz YERFWHXCWPHDDR-LJAQVGFWSA-N 0 0 499.010 5.805 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000223366018 569908985 /nfs/dbraw/zinc/90/89/85/569908985.db2.gz RYMVPVIJMGLDQO-CUBQBAPOSA-N 0 0 472.629 5.237 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223365405 569908993 /nfs/dbraw/zinc/90/89/93/569908993.db2.gz PUHUNWAOSNGKKF-SANMLTNESA-N 0 0 495.088 5.907 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000223365716 569909002 /nfs/dbraw/zinc/90/90/02/569909002.db2.gz YCIIVIAECKRCGE-YWEHKCAJSA-N 0 0 472.629 5.237 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000223368533 569909098 /nfs/dbraw/zinc/90/90/98/569909098.db2.gz VTWIURIAVBVERP-CUNXSJBXSA-N 0 0 460.593 5.231 40 0 JKABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000223369522 569909155 /nfs/dbraw/zinc/90/91/55/569909155.db2.gz NMHAAMWNGFCUFC-FQEVSTJZSA-N 0 0 465.421 5.223 40 0 JKABRN CC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000223369266 569909159 /nfs/dbraw/zinc/90/91/59/569909159.db2.gz LIBWQXQEFAFFHB-VWLOTQADSA-N 0 0 480.630 5.083 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000223370696 569909161 /nfs/dbraw/zinc/90/91/61/569909161.db2.gz CJCINNXJHBYHLC-ABYGYWHVSA-N 0 0 470.657 5.709 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000223371163 569909190 /nfs/dbraw/zinc/90/91/90/569909190.db2.gz WSSALJUNWKIBDM-GOSISDBHSA-N 0 0 462.204 5.396 40 0 JKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223370904 569909207 /nfs/dbraw/zinc/90/92/07/569909207.db2.gz RGRFHFSXZZHVRB-GOSISDBHSA-N 0 0 462.204 5.396 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 ZINC000223373603 569909243 /nfs/dbraw/zinc/90/92/43/569909243.db2.gz AUHBOKYQLWKEPR-UFHPHHKVSA-N 0 0 488.697 5.783 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(C)c1 ZINC000223373500 569909244 /nfs/dbraw/zinc/90/92/44/569909244.db2.gz BKOSYTJVXADLHJ-KRWDZBQOSA-N 0 0 451.394 5.014 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1Cc1ccncc1 ZINC000223373128 569909253 /nfs/dbraw/zinc/90/92/53/569909253.db2.gz BRYIPXFJIFEUFP-FTJBHMTQSA-N 0 0 453.615 5.116 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1Cc1cccnc1 ZINC000223372887 569909266 /nfs/dbraw/zinc/90/92/66/569909266.db2.gz PCBOUTAELLTXQV-FTJBHMTQSA-N 0 0 453.615 5.116 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1Cc1ccccc1 ZINC000223376413 569909272 /nfs/dbraw/zinc/90/92/72/569909272.db2.gz AUGVJJSQVDXIIB-BJKOFHAPSA-N 0 0 479.436 6.352 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000223375710 569909280 /nfs/dbraw/zinc/90/92/80/569909280.db2.gz PKPRGDQGEFXXMY-UFHPHHKVSA-N 0 0 488.697 6.032 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223375353 569909283 /nfs/dbraw/zinc/90/92/83/569909283.db2.gz PLGVHTNNHHUGIY-HNNXBMFYSA-N 0 0 455.813 5.523 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223375624 569909286 /nfs/dbraw/zinc/90/92/86/569909286.db2.gz JRWWPSKOHRAHSU-AWEZNQCLSA-N 0 0 490.258 6.176 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cc2Cl)N1Cc1ccccc1 ZINC000223376548 569909288 /nfs/dbraw/zinc/90/92/88/569909288.db2.gz AUGVJJSQVDXIIB-ZEQRLZLVSA-N 0 0 479.436 6.352 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223375303 569909299 /nfs/dbraw/zinc/90/92/99/569909299.db2.gz PLGVHTNNHHUGIY-OAHLLOKOSA-N 0 0 455.813 5.523 40 0 JKABRN CCOc1ccc(N(Cc2ccc(C(=O)NCc3cc(CC)ccc3CC)cc2)S(C)(=O)=O)cc1 ZINC000223376170 569909301 /nfs/dbraw/zinc/90/93/01/569909301.db2.gz NZPSGUZDZXWFBS-UHFFFAOYSA-N 0 0 494.657 5.106 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C ZINC000223376781 569909317 /nfs/dbraw/zinc/90/93/17/569909317.db2.gz GEOWAHDFDAHRDH-KRWDZBQOSA-N 0 0 451.394 5.014 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000223379683 569909319 /nfs/dbraw/zinc/90/93/19/569909319.db2.gz ZMUNYVRVCHIWLG-SFHVURJKSA-N 0 0 481.489 6.118 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 ZINC000223377624 569909320 /nfs/dbraw/zinc/90/93/20/569909320.db2.gz KIHNMMOTZGZWFB-MRXNPFEDSA-N 0 0 453.435 5.419 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000223377470 569909333 /nfs/dbraw/zinc/90/93/33/569909333.db2.gz IQBPGGROVXQCGK-CUBQBAPOSA-N 0 0 456.630 5.482 40 0 JKABRN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 ZINC000223379611 569909364 /nfs/dbraw/zinc/90/93/64/569909364.db2.gz ICRWMYJRLZGBRP-LOSJGSFVSA-N 0 0 457.624 6.307 40 0 JKABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223378345 569909367 /nfs/dbraw/zinc/90/93/67/569909367.db2.gz LCZLYOVZCCFRNS-GOSISDBHSA-N 0 0 481.489 5.869 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1Cc1ccccc1 ZINC000223381667 569909404 /nfs/dbraw/zinc/90/94/04/569909404.db2.gz KOZXSFLQMHXPHL-SVBPBHIXSA-N 0 0 452.627 5.721 40 0 JKABRN COc1ccc(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1Cl ZINC000223382183 569909414 /nfs/dbraw/zinc/90/94/14/569909414.db2.gz QAOXFDGCOXIIBB-UHFFFAOYSA-N 0 0 472.994 5.184 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223389673 569909597 /nfs/dbraw/zinc/90/95/97/569909597.db2.gz 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CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223396411 569909843 /nfs/dbraw/zinc/90/98/43/569909843.db2.gz HWWJEPAPGYLTCN-OAQYLSRUSA-N 0 0 475.029 5.012 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1Cc1ccccc1 ZINC000223399653 569909887 /nfs/dbraw/zinc/90/98/87/569909887.db2.gz LFXTZWPDDDGWCM-RPWUZVMVSA-N 0 0 490.426 6.277 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000223398256 569909894 /nfs/dbraw/zinc/90/98/94/569909894.db2.gz SFUPJBAAHVICIR-IZLXSDGUSA-N 0 0 460.606 6.198 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000223398169 569909895 /nfs/dbraw/zinc/90/98/95/569909895.db2.gz SFUPJBAAHVICIR-VSGBNLITSA-N 0 0 460.606 6.198 40 0 JKABRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)ccc1Cl ZINC000223397801 569909898 /nfs/dbraw/zinc/90/98/98/569909898.db2.gz WFEWTWPUJWADDB-LOSJGSFVSA-N 0 0 459.018 6.007 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 ZINC000223402517 569909964 /nfs/dbraw/zinc/90/99/64/569909964.db2.gz ASAIRHGLCQYCFQ-ABYGYWHVSA-N 0 0 470.657 5.791 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223402215 569909994 /nfs/dbraw/zinc/90/99/94/569909994.db2.gz SVDCBYSVJRHINA-AJTFRIOCSA-N 0 0 477.048 5.746 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1Cc1ccccc1 ZINC000223401134 569909997 /nfs/dbraw/zinc/90/99/97/569909997.db2.gz KCMJTDAFKRBABQ-BJKOFHAPSA-N 0 0 480.420 6.821 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223403553 569910021 /nfs/dbraw/zinc/91/00/21/569910021.db2.gz UVSZDKJBGDWULB-HXUWFJFHSA-N 0 0 469.840 5.911 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223403486 569910025 /nfs/dbraw/zinc/91/00/25/569910025.db2.gz UVSZDKJBGDWULB-FQEVSTJZSA-N 0 0 469.840 5.911 40 0 JKABRN 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CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223735308 569921621 /nfs/dbraw/zinc/92/16/21/569921621.db2.gz OEEVAAGMRSUOTG-QHCPKHFHSA-N 0 0 459.030 5.368 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223735381 569921634 /nfs/dbraw/zinc/92/16/34/569921634.db2.gz QCABWWAPOMPIFS-RUZDIDTESA-N 0 0 452.639 5.395 40 0 JKABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000223737994 569921690 /nfs/dbraw/zinc/92/16/90/569921690.db2.gz DNXKIOVBFUAZKO-FGZHOGPDSA-N 0 0 490.412 5.574 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223739338 569921701 /nfs/dbraw/zinc/92/17/01/569921701.db2.gz RDJBRUAKPJOYEY-QDPGVEIFSA-N 0 0 474.620 5.622 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223739454 569921705 /nfs/dbraw/zinc/92/17/05/569921705.db2.gz RDJBRUAKPJOYEY-LXFBAYGMSA-N 0 0 474.620 5.622 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223739207 569921709 /nfs/dbraw/zinc/92/17/09/569921709.db2.gz SFFPSMFGTDEOAS-IBVKSMDESA-N 0 0 481.011 5.576 40 0 JKABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000223739734 569921713 /nfs/dbraw/zinc/92/17/13/569921713.db2.gz ONHBOISBXKFVNB-XZOQPEGZSA-N 0 0 469.994 5.229 40 0 JKABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000223738560 569921719 /nfs/dbraw/zinc/92/17/19/569921719.db2.gz QYTVHICFLLRYCJ-XZOQPEGZSA-N 0 0 469.994 5.229 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c4c(cccc42)CC3)c2ccc(C)cc2)cc1 ZINC000223738863 569921724 /nfs/dbraw/zinc/92/17/24/569921724.db2.gz BUNXDGRWYOZFNC-UHFFFAOYSA-N 0 0 486.593 5.089 40 0 JKABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000223738609 569921743 /nfs/dbraw/zinc/92/17/43/569921743.db2.gz QYTVHICFLLRYCJ-DHIUTWEWSA-N 0 0 469.994 5.229 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223740922 569921745 /nfs/dbraw/zinc/92/17/45/569921745.db2.gz IRAFYSGOCYFNQX-FIPFOOKPSA-N 0 0 490.619 5.376 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223743188 569921866 /nfs/dbraw/zinc/92/18/66/569921866.db2.gz QPNZSCMVNFFMFO-NEKDWFFYSA-N 0 0 474.620 5.540 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000223744157 569921889 /nfs/dbraw/zinc/92/18/89/569921889.db2.gz YHCZZSAZKFMDFE-CJFMBICVSA-N 0 0 497.010 5.413 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000223744217 569921940 /nfs/dbraw/zinc/92/19/40/569921940.db2.gz YHCZZSAZKFMDFE-NBGIEHNGSA-N 0 0 497.010 5.413 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1 ZINC000223749600 569922017 /nfs/dbraw/zinc/92/20/17/569922017.db2.gz GVSUEHJHOSXIFP-IZZNHLLZSA-N 0 0 469.614 5.129 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1Cl ZINC000223749057 569922028 /nfs/dbraw/zinc/92/20/28/569922028.db2.gz OVILIAGQWPSKNH-JOCHJYFZSA-N 0 0 481.489 5.950 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000223749737 569922048 /nfs/dbraw/zinc/92/20/48/569922048.db2.gz BTMUGEWJHKWZOE-VXKWHMMOSA-N 0 0 461.616 5.131 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1c(F)cccc1Cl ZINC000223750703 569922104 /nfs/dbraw/zinc/92/21/04/569922104.db2.gz AKJDMWNQMHOFGC-JOCHJYFZSA-N 0 0 499.479 6.089 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000223751908 569922121 /nfs/dbraw/zinc/92/21/21/569922121.db2.gz XZJWXEUHTSEQBD-JWQCQUIFSA-N 0 0 458.587 5.327 40 0 JKABRN CC(C)(C)CC(C)(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000223751983 569922122 /nfs/dbraw/zinc/92/21/22/569922122.db2.gz OAVCMNFVSHAJIN-UHFFFAOYSA-N 0 0 478.658 6.027 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1 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ZULSXCCVPGFOGC-JWQCQUIFSA-N 0 0 473.623 6.320 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccccc3)c2C)cc1 ZINC000223756883 569922237 /nfs/dbraw/zinc/92/22/37/569922237.db2.gz XGCIUWOKAABCFY-SXOMAYOGSA-N 0 0 468.626 5.734 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl ZINC000223754728 569922241 /nfs/dbraw/zinc/92/22/41/569922241.db2.gz KLLSNBHFQABCLW-KDYSTLNUSA-N 0 0 495.038 5.967 40 0 JKABRN Cc1ccccc1CN(C(=O)CSCc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223758553 569922261 /nfs/dbraw/zinc/92/22/61/569922261.db2.gz UQWAGMIJCBHUQX-IBGZPJMESA-N 0 0 459.055 5.358 40 0 JKABRN Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223758456 569922264 /nfs/dbraw/zinc/92/22/64/569922264.db2.gz VXJJGXWTRSKKRM-JOCHJYFZSA-N 0 0 452.664 5.321 40 0 JKABRN Cc1ccccc1CN(C(=O)CCSc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223759269 569922318 /nfs/dbraw/zinc/92/23/18/569922318.db2.gz UNTNBSZDNNIRMA-IBGZPJMESA-N 0 0 459.055 5.607 40 0 JKABRN Cc1ccccc1CN(C(=O)CSCc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223758845 569922320 /nfs/dbraw/zinc/92/23/20/569922320.db2.gz CWDGWQIIQOKIFD-IBGZPJMESA-N 0 0 459.055 5.358 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc(C)c1 ZINC000223758765 569922323 /nfs/dbraw/zinc/92/23/23/569922323.db2.gz VMDCLMNTCVRMDJ-WXVAWEFUSA-N 0 0 476.592 5.068 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)cc1 ZINC000223758929 569922358 /nfs/dbraw/zinc/92/23/58/569922358.db2.gz KWRJXQSOBKLLNM-AJTFRIOCSA-N 0 0 476.592 5.068 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc(C)c1C ZINC000223760580 569922379 /nfs/dbraw/zinc/92/23/79/569922379.db2.gz SDLRNGBRJPTJTD-AMGIVPHBSA-N 0 0 490.619 5.376 40 0 JKABRN Cc1ccccc1CN(C(=O)CSCc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1 ZINC000223759733 569922395 /nfs/dbraw/zinc/92/23/95/569922395.db2.gz FEHVGSJVPTZHIT-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223762140 569922478 /nfs/dbraw/zinc/92/24/78/569922478.db2.gz RIQNRAUCZCAONM-IBVKSMDESA-N 0 0 481.011 5.576 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223762878 569922520 /nfs/dbraw/zinc/92/25/20/569922520.db2.gz YWZJABVAUKMRPU-AFMDSPMNSA-N 0 0 499.001 5.716 40 0 JKABRN COCc1cccc(NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000223762833 569922526 /nfs/dbraw/zinc/92/25/26/569922526.db2.gz HEFACONDUWWSTQ-UHFFFAOYSA-N 0 0 486.593 5.481 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCSCc1ccccc1 ZINC000223766907 569922630 /nfs/dbraw/zinc/92/26/30/569922630.db2.gz SEBDAZKWACOZBQ-MHZLTWQESA-N 0 0 490.669 5.095 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C(C)C)ccc2C)c1 ZINC000223767641 569922658 /nfs/dbraw/zinc/92/26/58/569922658.db2.gz SVPYLLJHDMOOHB-UHFFFAOYSA-N 0 0 480.630 5.345 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223767515 569922662 /nfs/dbraw/zinc/92/26/62/569922662.db2.gz BNNSEXVPNWAAJC-AWEZNQCLSA-N 0 0 473.853 5.433 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C(C)C)ccc2C)c1 ZINC000223767241 569922675 /nfs/dbraw/zinc/92/26/75/569922675.db2.gz IQTHUEUTUVOCBC-UHFFFAOYSA-N 0 0 466.603 5.036 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000223769759 569922707 /nfs/dbraw/zinc/92/27/07/569922707.db2.gz OBGVJILAHLCFKT-CLJLJLNGSA-N 0 0 469.614 5.124 40 0 JKABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)cc1 ZINC000223771665 569922743 /nfs/dbraw/zinc/92/27/43/569922743.db2.gz NVYAJGUFGIPEGD-LOSJGSFVSA-N 0 0 456.571 5.067 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(OC)c2)cc1 ZINC000223771378 569922751 /nfs/dbraw/zinc/92/27/51/569922751.db2.gz ZEKIVKKBJDAAEE-RPBOFIJWSA-N 0 0 456.571 5.067 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(OC)c2)cc1 ZINC000223771330 569922756 /nfs/dbraw/zinc/92/27/56/569922756.db2.gz ZEKIVKKBJDAAEE-DQEYMECFSA-N 0 0 456.571 5.067 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCOc3ccccc3C(C)C)ccc2C)cc1 ZINC000223773235 569922797 /nfs/dbraw/zinc/92/27/97/569922797.db2.gz ORGIMHNDFBJOSV-UHFFFAOYSA-N 0 0 466.603 5.036 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)cc1 ZINC000223773926 569922881 /nfs/dbraw/zinc/92/28/81/569922881.db2.gz KOBKISFECCSYCX-NSOVKSMOSA-N 0 0 476.605 6.211 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000223773827 569922894 /nfs/dbraw/zinc/92/28/94/569922894.db2.gz PQDXLCNSAOHLEH-XZOQPEGZSA-N 0 0 461.978 5.106 40 0 JKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc21 ZINC000223774828 569922931 /nfs/dbraw/zinc/92/29/31/569922931.db2.gz DGLJOFIXVIQISR-PMERELPUSA-N 0 0 494.635 5.557 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000223776941 569922953 /nfs/dbraw/zinc/92/29/53/569922953.db2.gz GAMGHHHUMCPQOR-DNQXCXABSA-N 0 0 496.419 6.834 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000223776498 569922954 /nfs/dbraw/zinc/92/29/54/569922954.db2.gz DQEPUISIDVKGFF-BJKOFHAPSA-N 0 0 496.419 6.834 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3C)o2)cc1 ZINC000223777363 569922960 /nfs/dbraw/zinc/92/29/60/569922960.db2.gz KDWBKKGKXYUEML-JWQCQUIFSA-N 0 0 476.001 6.489 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000223776462 569922961 /nfs/dbraw/zinc/92/29/61/569922961.db2.gz DQEPUISIDVKGFF-RPWUZVMVSA-N 0 0 496.419 6.834 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000223776701 569922963 /nfs/dbraw/zinc/92/29/63/569922963.db2.gz HSYSARXHSKYUND-BJKOFHAPSA-N 0 0 496.419 6.834 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000223776751 569922965 /nfs/dbraw/zinc/92/29/65/569922965.db2.gz HSYSARXHSKYUND-DNQXCXABSA-N 0 0 496.419 6.834 40 0 JKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223777861 569922966 /nfs/dbraw/zinc/92/29/66/569922966.db2.gz ORVMJFLRLFAZQX-RUZDIDTESA-N 0 0 499.438 5.321 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000223776670 569922978 /nfs/dbraw/zinc/92/29/78/569922978.db2.gz HSYSARXHSKYUND-RPWUZVMVSA-N 0 0 496.419 6.834 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000223776549 569922984 /nfs/dbraw/zinc/92/29/84/569922984.db2.gz DQEPUISIDVKGFF-DNQXCXABSA-N 0 0 496.419 6.834 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000223778782 569923011 /nfs/dbraw/zinc/92/30/11/569923011.db2.gz SPFAMQYUXYLYDD-JWQCQUIFSA-N 0 0 476.001 6.489 40 0 JKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2c(C)c(C)n(-c3ccccc3)c2C)cc1 ZINC000223780863 569923058 /nfs/dbraw/zinc/92/30/58/569923058.db2.gz KBFLVTGLQIFFJO-RRPNLBNLSA-N 0 0 468.626 5.983 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1Cl ZINC000223781147 569923070 /nfs/dbraw/zinc/92/30/70/569923070.db2.gz PZIZHTFHLMTYLC-FQEVSTJZSA-N 0 0 451.394 5.096 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1Cl ZINC000223780458 569923071 /nfs/dbraw/zinc/92/30/71/569923071.db2.gz YTMNIEQVINAYJF-INIZCTEOSA-N 0 0 453.435 5.170 40 0 JKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2c(C)c(C)n(-c3ccccc3)c2C)cc1 ZINC000223780914 569923078 /nfs/dbraw/zinc/92/30/78/569923078.db2.gz KBFLVTGLQIFFJO-KAYWLYCHSA-N 0 0 468.626 5.983 40 0 JKABRN Cc1ccccc1CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223781736 569923112 /nfs/dbraw/zinc/92/31/12/569923112.db2.gz ALCFSUJTBJCTDK-OAQYLSRUSA-N 0 0 450.623 5.147 40 0 JKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSCc2cccc(Cl)c2)c1 ZINC000223781892 569923116 /nfs/dbraw/zinc/92/31/16/569923116.db2.gz ZZADUSXZGNIIMU-JCMHNJIXSA-N 0 0 454.979 5.062 40 0 JKABRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)o2)c1 ZINC000223783332 569923187 /nfs/dbraw/zinc/92/31/87/569923187.db2.gz RINILUTVZZQVIV-LOSJGSFVSA-N 0 0 485.565 5.314 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2ccccc2Cl)cc1 ZINC000223782699 569923202 /nfs/dbraw/zinc/92/32/02/569923202.db2.gz MGRFSEPNWIORTO-UHFFFAOYSA-N 0 0 499.017 5.001 40 0 JKABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000223784406 569923213 /nfs/dbraw/zinc/92/32/13/569923213.db2.gz OOFCLEYIVQUCKD-UHFFFAOYSA-N 0 0 492.000 5.160 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223785199 569923234 /nfs/dbraw/zinc/92/32/34/569923234.db2.gz MXKMIECKGVIHJW-JOCHJYFZSA-N 0 0 465.034 5.436 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 ZINC000223785377 569923256 /nfs/dbraw/zinc/92/32/56/569923256.db2.gz IKEUCQFHOGVMRD-RTBURBONSA-N 0 0 460.422 5.481 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223786416 569923260 /nfs/dbraw/zinc/92/32/60/569923260.db2.gz CHFLDLYIIGHHJM-RUZDIDTESA-N 0 0 457.058 6.120 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1 ZINC000223788113 569923317 /nfs/dbraw/zinc/92/33/17/569923317.db2.gz RSVGQLFALJNNPF-RRPNLBNLSA-N 0 0 483.641 5.519 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1 ZINC000223787982 569923331 /nfs/dbraw/zinc/92/33/31/569923331.db2.gz FYOQAHBZLRRWAO-KAYWLYCHSA-N 0 0 483.641 5.519 40 0 JKABRN Cc1ccccc1CN(C(=O)CSCc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223788392 569923354 /nfs/dbraw/zinc/92/33/54/569923354.db2.gz YUFALVNZYQSYOU-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1 ZINC000223787945 569923355 /nfs/dbraw/zinc/92/33/55/569923355.db2.gz FYOQAHBZLRRWAO-RRPNLBNLSA-N 0 0 483.641 5.519 40 0 JKABRN Cc1ccccc1CN(C(=O)CSCc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000223788447 569923365 /nfs/dbraw/zinc/92/33/65/569923365.db2.gz YUFALVNZYQSYOU-GOSISDBHSA-N 0 0 493.500 6.011 40 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CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(C)cc3)o2)cc1 ZINC000223793102 569923564 /nfs/dbraw/zinc/92/35/64/569923564.db2.gz DDEGQHCUROXYKM-FTJBHMTQSA-N 0 0 487.650 6.710 40 0 JKABRN Cc1cccc(CN(C(=O)CSCc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223794825 569923580 /nfs/dbraw/zinc/92/35/80/569923580.db2.gz KCAIPCGBTLMPRW-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223795159 569923595 /nfs/dbraw/zinc/92/35/95/569923595.db2.gz XWXXDMZCOQHGRC-HXUWFJFHSA-N 0 0 485.839 5.749 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223797011 569923643 /nfs/dbraw/zinc/92/36/43/569923643.db2.gz ZQHUYALXIKYENM-JOCHJYFZSA-N 0 0 481.489 6.199 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1)c1ccccc1 ZINC000223798119 569923701 /nfs/dbraw/zinc/92/37/01/569923701.db2.gz KUZLIWPUPORGMK-UHFFFAOYSA-N 0 0 456.567 5.157 40 0 JKABRN Cc1cccc(N(CC(=O)Nc2ccc3c4c(cccc42)CC3)S(=O)(=O)c2ccccc2)c1C 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PHKQUEMJNDHTLF-LJQANCHMSA-N 0 0 459.055 5.358 40 0 JKABRN COc1ccc(CSCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814975 569924150 /nfs/dbraw/zinc/92/41/50/569924150.db2.gz WVUTWRCAYBLJPZ-GOSISDBHSA-N 0 0 475.054 5.058 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223815283 569924186 /nfs/dbraw/zinc/92/41/86/569924186.db2.gz NIGHNWURMPNNMR-RXFWQSSRSA-N 0 0 497.466 6.091 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccc(C)cc1 ZINC000223818443 569924191 /nfs/dbraw/zinc/92/41/91/569924191.db2.gz CZZGMSFOGCFJSA-JOCHJYFZSA-N 0 0 481.489 6.118 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1OC ZINC000223818355 569924200 /nfs/dbraw/zinc/92/42/00/569924200.db2.gz RPCXBKMSYPMORC-HXUWFJFHSA-N 0 0 481.420 5.105 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223817411 569924215 /nfs/dbraw/zinc/92/42/15/569924215.db2.gz SWRPHAZZQPMLHK-QFIPXVFZSA-N 0 0 499.479 6.089 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223818017 569924216 /nfs/dbraw/zinc/92/42/16/569924216.db2.gz BSPGKBAWHWLQTB-OAQYLSRUSA-N 0 0 453.385 5.399 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1cccc2ccccc21 ZINC000223820482 569924271 /nfs/dbraw/zinc/92/42/71/569924271.db2.gz SSMDGIUBFSMKRL-IBGZPJMESA-N 0 0 464.993 5.348 40 0 JKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223822730 569924299 /nfs/dbraw/zinc/92/42/99/569924299.db2.gz VTKOQPLFKAJBHP-HXUWFJFHSA-N 0 0 455.042 5.872 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223825921 569924412 /nfs/dbraw/zinc/92/44/12/569924412.db2.gz NZWFYFNHXNNMHR-FQEVSTJZSA-N 0 0 463.021 5.902 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223825988 569924434 /nfs/dbraw/zinc/92/44/34/569924434.db2.gz NZWFYFNHXNNMHR-HXUWFJFHSA-N 0 0 463.021 5.902 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000223827527 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SKLUQVNXPYNKTC-DQEYMECFSA-N 0 0 459.546 6.057 40 0 JKABRN Cc1cc(C)cc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223831622 569924634 /nfs/dbraw/zinc/92/46/34/569924634.db2.gz OUYZWZZRCGCKLI-HXUWFJFHSA-N 0 0 473.082 5.666 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000223832687 569924652 /nfs/dbraw/zinc/92/46/52/569924652.db2.gz LDYHGLCWPYWFSD-JWQCQUIFSA-N 0 0 476.001 6.571 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223832620 569924659 /nfs/dbraw/zinc/92/46/59/569924659.db2.gz ROLPBXKTWFGGGE-IBGZPJMESA-N 0 0 459.055 5.607 40 0 JKABRN COc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223832504 569924677 /nfs/dbraw/zinc/92/46/77/569924677.db2.gz BUCSWKBIIOUETD-SFHVURJKSA-N 0 0 475.054 5.058 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223832440 569924692 /nfs/dbraw/zinc/92/46/92/569924692.db2.gz SKLUQVNXPYNKTC-JWQCQUIFSA-N 0 0 459.546 6.057 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223835233 569924713 /nfs/dbraw/zinc/92/47/13/569924713.db2.gz KILIFJJIJWSPHB-MRXNPFEDSA-N 0 0 453.435 5.088 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cc(Cl)ccc3C)o2)cc1 ZINC000223836562 569924743 /nfs/dbraw/zinc/92/47/43/569924743.db2.gz WQUPDJIQSGDZRZ-IZZNHLLZSA-N 0 0 490.028 6.879 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1c(F)cccc1Cl ZINC000223837098 569924774 /nfs/dbraw/zinc/92/47/74/569924774.db2.gz XRHGTPXSLRWPEN-CYBMUJFWSA-N 0 0 491.843 5.573 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223838545 569924781 /nfs/dbraw/zinc/92/47/81/569924781.db2.gz PCEVOLOCXFMVJN-QHCPKHFHSA-N 0 0 463.449 5.958 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1c(F)cccc1Cl ZINC000223837156 569924791 /nfs/dbraw/zinc/92/47/91/569924791.db2.gz XRHGTPXSLRWPEN-ZDUSSCGKSA-N 0 0 491.843 5.573 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C(=O)OC)cc1 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KCVVTHYKBJJCII-LBPRGKRZSA-N 0 0 478.203 5.232 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccc(Cl)cc1 ZINC000223922016 569927369 /nfs/dbraw/zinc/92/73/69/569927369.db2.gz WGHADVBOQVGPMV-CYBMUJFWSA-N 0 0 459.826 5.292 40 0 JKABRN Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223926297 569927497 /nfs/dbraw/zinc/92/74/97/569927497.db2.gz FKNCZNAHYQNSLO-VSGBNLITSA-N 0 0 495.652 5.194 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1c1ccc(N2CCOCC2)cc1 ZINC000223928177 569927537 /nfs/dbraw/zinc/92/75/37/569927537.db2.gz DIJXYWJWEWRUJM-IZZNHLLZSA-N 0 0 473.646 5.012 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000223929792 569927602 /nfs/dbraw/zinc/92/76/02/569927602.db2.gz OAJFUMHCUMVEOB-QHCPKHFHSA-N 0 0 479.448 5.713 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000223929738 569927609 /nfs/dbraw/zinc/92/76/09/569927609.db2.gz OAJFUMHCUMVEOB-HSZRJFAPSA-N 0 0 479.448 5.713 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223929931 569927614 /nfs/dbraw/zinc/92/76/14/569927614.db2.gz VPRQOKSDDNGKJT-KRWDZBQOSA-N 0 0 477.432 5.411 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1C(C)C ZINC000223929761 569927615 /nfs/dbraw/zinc/92/76/15/569927615.db2.gz QXIBWOCOPGCCIZ-IZZNHLLZSA-N 0 0 475.662 5.095 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223929980 569927620 /nfs/dbraw/zinc/92/76/20/569927620.db2.gz VPRQOKSDDNGKJT-QGZVFWFLSA-N 0 0 477.432 5.411 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)cc1 ZINC000223930718 569927663 /nfs/dbraw/zinc/92/76/63/569927663.db2.gz FWGKKBBEKHTKHC-UHFFFAOYSA-N 0 0 456.523 5.948 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSCc1ccccc1 ZINC000223930315 569927675 /nfs/dbraw/zinc/92/76/75/569927675.db2.gz QLITXMXAWJSHAO-SFHVURJKSA-N 0 0 493.500 6.093 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223934456 569927700 /nfs/dbraw/zinc/92/77/00/569927700.db2.gz NMAROPDYXPVJGH-INIZCTEOSA-N 0 0 497.886 5.279 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000223933870 569927727 /nfs/dbraw/zinc/92/77/27/569927727.db2.gz BQTDDWUCKHZOJH-DEOSSOPVSA-N 0 0 493.475 6.219 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223934006 569927741 /nfs/dbraw/zinc/92/77/41/569927741.db2.gz AYQVOSFXMYZGET-QHCPKHFHSA-N 0 0 493.475 6.021 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223932955 569927743 /nfs/dbraw/zinc/92/77/43/569927743.db2.gz XNEUFYRQYBIMFI-SFHVURJKSA-N 0 0 475.460 5.965 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223936517 569927752 /nfs/dbraw/zinc/92/77/52/569927752.db2.gz USCNCWZPGDTDOC-QHCPKHFHSA-N 0 0 463.449 5.876 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223937120 569927796 /nfs/dbraw/zinc/92/77/96/569927796.db2.gz GPTPLIVKFRMDED-KRWDZBQOSA-N 0 0 463.405 5.157 40 0 JKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223937935 569927815 /nfs/dbraw/zinc/92/78/15/569927815.db2.gz AZWWDGGEURKFLP-SFHVURJKSA-N 0 0 491.459 5.972 40 0 JKABRN Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000223940250 569927830 /nfs/dbraw/zinc/92/78/30/569927830.db2.gz BGQLEKZCFOZXIX-QGZVFWFLSA-N 0 0 463.405 5.157 40 0 JKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223939770 569927833 /nfs/dbraw/zinc/92/78/33/569927833.db2.gz PCFYMRALHBJJDO-SFHVURJKSA-N 0 0 461.433 5.629 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223937282 569927853 /nfs/dbraw/zinc/92/78/53/569927853.db2.gz DDFIGKIUVZWRQD-RUZDIDTESA-N 0 0 491.503 6.773 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1 ZINC000223941420 569927865 /nfs/dbraw/zinc/92/78/65/569927865.db2.gz KOZRBNJCEVLCJE-KRWDZBQOSA-N 0 0 479.473 5.703 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1c1ccc(N2CCOCC2)cc1 ZINC000223942134 569927867 /nfs/dbraw/zinc/92/78/67/569927867.db2.gz HPASSZGQJYJCBW-RRPNLBNLSA-N 0 0 487.673 5.402 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1C ZINC000223941303 569927884 /nfs/dbraw/zinc/92/78/84/569927884.db2.gz HSLRZIIHCZGZOH-UHFFFAOYSA-N 0 0 471.582 5.342 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1C ZINC000223940937 569927898 /nfs/dbraw/zinc/92/78/98/569927898.db2.gz ZQNAFEAEDOLCHP-UHFFFAOYSA-N 0 0 470.550 6.256 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1F ZINC000223941566 569927918 /nfs/dbraw/zinc/92/79/18/569927918.db2.gz CIFDBCXLSWEOOC-QFIPXVFZSA-N 0 0 499.479 6.089 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2C)c1 ZINC000223942835 569927940 /nfs/dbraw/zinc/92/79/40/569927940.db2.gz OGWRQSCQCFLUCZ-UHFFFAOYSA-N 0 0 471.582 5.342 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2C)c1 ZINC000223942991 569927957 /nfs/dbraw/zinc/92/79/57/569927957.db2.gz ADIMPTIUTWUHRM-UHFFFAOYSA-N 0 0 480.630 5.211 40 0 JKABRN Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223943882 569927985 /nfs/dbraw/zinc/92/79/85/569927985.db2.gz NDMVFLFKYRFPBI-SXOMAYOGSA-N 0 0 499.615 5.025 40 0 JKABRN Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223944157 569928007 /nfs/dbraw/zinc/92/80/07/569928007.db2.gz ISYIQAHXAZGKGY-RRPNLBNLSA-N 0 0 499.615 5.025 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F ZINC000223945006 569928015 /nfs/dbraw/zinc/92/80/15/569928015.db2.gz HHMVRVJQWYUHDA-OAQYLSRUSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223944316 569928033 /nfs/dbraw/zinc/92/80/33/569928033.db2.gz LMWVKRANILGJLA-OAQYLSRUSA-N 0 0 487.830 6.052 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223946409 569928083 /nfs/dbraw/zinc/92/80/83/569928083.db2.gz OCDIZKUVCSBTQE-QFIPXVFZSA-N 0 0 463.043 5.164 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1c1ccc(N2CCOCC2)cc1 ZINC000223948638 569928191 /nfs/dbraw/zinc/92/81/91/569928191.db2.gz LRIZIOVCYGPABR-SXOMAYOGSA-N 0 0 482.609 5.355 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)c1 ZINC000223951564 569928198 /nfs/dbraw/zinc/92/81/98/569928198.db2.gz FKRANANEAQSGGB-UHFFFAOYSA-N 0 0 470.594 5.917 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2C)c1 ZINC000223953233 569928246 /nfs/dbraw/zinc/92/82/46/569928246.db2.gz NBGVHERUTXURKW-UHFFFAOYSA-N 0 0 485.609 5.651 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSCc1ccccc1 ZINC000223954784 569928309 /nfs/dbraw/zinc/92/83/09/569928309.db2.gz CCEYAHCSOOXDHH-MRXNPFEDSA-N 0 0 453.435 5.170 40 0 JKABRN CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000223953616 569928316 /nfs/dbraw/zinc/92/83/16/569928316.db2.gz AIFAXUHDLQNOSV-UHFFFAOYSA-N 0 0 480.630 5.174 40 0 JKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSCc2ccc(Cl)cc2)c1 ZINC000223960486 569928516 /nfs/dbraw/zinc/92/85/16/569928516.db2.gz RBLXQLHMXNHERO-JCMHNJIXSA-N 0 0 471.047 5.530 40 0 JKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223962074 569928577 /nfs/dbraw/zinc/92/85/77/569928577.db2.gz RDLRDIQPNOXQNQ-SFHVURJKSA-N 0 0 461.433 5.711 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1 ZINC000223963282 569928609 /nfs/dbraw/zinc/92/86/09/569928609.db2.gz OETIUQPUACSESA-KAYWLYCHSA-N 0 0 496.640 5.079 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000223962994 569928616 /nfs/dbraw/zinc/92/86/16/569928616.db2.gz CWLPDXHEWRRFDD-INIZCTEOSA-N 0 0 465.421 5.223 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000223962939 569928619 /nfs/dbraw/zinc/92/86/19/569928619.db2.gz CWLPDXHEWRRFDD-MRXNPFEDSA-N 0 0 465.421 5.223 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000223963374 569928647 /nfs/dbraw/zinc/92/86/47/569928647.db2.gz OHAVEYINMXLJDS-GOTSBHOMSA-N 0 0 488.642 5.081 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223964267 569928679 /nfs/dbraw/zinc/92/86/79/569928679.db2.gz ISRKZNADNBCEKV-GFCCVEGCSA-N 0 0 462.204 5.396 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccccc1 ZINC000223965250 569928680 /nfs/dbraw/zinc/92/86/80/569928680.db2.gz AHGRFEPNEAPBRC-WXVAWEFUSA-N 0 0 490.669 5.342 40 0 JKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1C ZINC000223964728 569928693 /nfs/dbraw/zinc/92/86/93/569928693.db2.gz VWLGTJKVAZPORT-GOSISDBHSA-N 0 0 461.433 5.629 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccnc3)c2C)cc1 ZINC000223964645 569928712 /nfs/dbraw/zinc/92/87/12/569928712.db2.gz ZMQIPRDIPRWRSA-FTJBHMTQSA-N 0 0 482.613 5.020 40 0 JKABRN 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KPFIMDHNCRJMMQ-PKTZIBPZSA-N 0 0 466.944 5.981 40 0 JKABRN COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1CSc1ccc(Cl)cc1 ZINC000224392099 569943073 /nfs/dbraw/zinc/94/30/73/569943073.db2.gz VDTGDCVYZFJJLX-UHFFFAOYSA-N 0 0 474.025 7.160 40 0 JKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1C ZINC000224395635 569943109 /nfs/dbraw/zinc/94/31/09/569943109.db2.gz RRHIWQPIURHLGY-NRFANRHFSA-N 0 0 467.462 5.479 40 0 JKABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1Cl ZINC000224395961 569943132 /nfs/dbraw/zinc/94/31/32/569943132.db2.gz ICVXRYGGUSXELV-HXUWFJFHSA-N 0 0 487.880 5.824 40 0 JKABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(OC)cc1 ZINC000224396728 569943170 /nfs/dbraw/zinc/94/31/70/569943170.db2.gz VCWNYSZXUDTEEM-OAQYLSRUSA-N 0 0 483.461 5.179 40 0 JKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000224396904 569943171 /nfs/dbraw/zinc/94/31/71/569943171.db2.gz YAAWYAOQPZXIBF-NRFANRHFSA-N 0 0 467.462 5.728 40 0 JKABRN 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Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1Cc1ccncc1 ZINC000225036604 569970788 /nfs/dbraw/zinc/97/07/88/569970788.db2.gz BRLGVKVXPIZSSF-WUFINQPMSA-N 0 0 496.684 5.418 40 0 JKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 ZINC000225036931 569970790 /nfs/dbraw/zinc/97/07/90/569970790.db2.gz GPOVMCRBVUOQFS-RUZDIDTESA-N 0 0 487.109 6.387 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1Cc1ccncc1 ZINC000225036642 569970866 /nfs/dbraw/zinc/97/08/66/569970866.db2.gz BRLGVKVXPIZSSF-NSOVKSMOSA-N 0 0 496.684 5.418 40 0 JKABRN Cc1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408605513 569970894 /nfs/dbraw/zinc/97/08/94/569970894.db2.gz KMXRYVMXVHIWSU-UHFFFAOYSA-N 0 0 479.783 5.464 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccnc1 ZINC000225037679 569970934 /nfs/dbraw/zinc/97/09/34/569970934.db2.gz ZRBAHDKKZHNEBG-SVBPBHIXSA-N 0 0 482.657 5.359 40 0 JKABRN 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O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408666166 570004504 /nfs/dbraw/zinc/00/45/04/570004504.db2.gz GHQSNVSUDUHCEE-UHFFFAOYSA-N 0 0 497.684 5.566 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000225546357 570004552 /nfs/dbraw/zinc/00/45/52/570004552.db2.gz IAGSNJCRLWXBEA-RRPNLBNLSA-N 0 0 487.673 5.562 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000225546554 570004578 /nfs/dbraw/zinc/00/45/78/570004578.db2.gz JEODESKVMDKGHH-NFBKMPQASA-N 0 0 459.030 5.366 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl ZINC000225547391 570004651 /nfs/dbraw/zinc/00/46/51/570004651.db2.gz YXUTWVHZTNIYOP-DEOSSOPVSA-N 0 0 469.412 5.230 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000225548375 570004800 /nfs/dbraw/zinc/00/48/00/570004800.db2.gz MNSIVLPENIQABZ-XMMPIXPASA-N 0 0 467.034 5.127 40 0 JKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc(Cl)c1 ZINC000408666653 570004805 /nfs/dbraw/zinc/00/48/05/570004805.db2.gz OKPAZLAZCGRLQU-HCLVMJGWSA-N 0 0 471.981 5.753 40 0 JKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc(Cl)c1 ZINC000408666655 570004823 /nfs/dbraw/zinc/00/48/23/570004823.db2.gz OKPAZLAZCGRLQU-LLBVYWAGSA-N 0 0 471.981 5.753 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000225548852 570004845 /nfs/dbraw/zinc/00/48/45/570004845.db2.gz XUSAGIUWAVYUEV-VWLOTQADSA-N 0 0 481.061 5.268 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1OCC ZINC000225549455 570004847 /nfs/dbraw/zinc/00/48/47/570004847.db2.gz IJSHVVMKWSOBKO-DHLKQENFSA-N 0 0 482.665 5.447 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl ZINC000225548752 570004864 /nfs/dbraw/zinc/00/48/64/570004864.db2.gz ZTLNBDYKWLFIKL-RUZDIDTESA-N 0 0 481.061 5.268 40 0 JKABRN O=C(CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408666747 570004896 /nfs/dbraw/zinc/00/48/96/570004896.db2.gz PHNHQHZFIGJNKO-UHFFFAOYSA-N 0 0 478.159 5.591 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000225548932 570004876 /nfs/dbraw/zinc/00/48/76/570004876.db2.gz BTBIDQPOMUFSRU-VWLOTQADSA-N 0 0 481.061 5.268 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)N[C@H](C)CC)cc1OCC ZINC000225549559 570004893 /nfs/dbraw/zinc/00/48/93/570004893.db2.gz IJSHVVMKWSOBKO-RCZVLFRGSA-N 0 0 482.665 5.447 40 0 JKABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000225549986 570004963 /nfs/dbraw/zinc/00/49/63/570004963.db2.gz XLPVPSRHFMLUDG-NRFANRHFSA-N 0 0 463.021 5.804 40 0 JKABRN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000408666925 570004959 /nfs/dbraw/zinc/00/49/59/570004959.db2.gz HVLBZLUEOZWVSE-UHFFFAOYSA-N 0 0 451.309 6.004 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Oc2ccccc2C)cc1 ZINC000408667017 570004965 /nfs/dbraw/zinc/00/49/65/570004965.db2.gz IRVGTAUBBAGRCJ-UHFFFAOYSA-N 0 0 480.948 5.650 40 0 JKABRN COc1ccccc1CCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000225551140 570004997 /nfs/dbraw/zinc/00/49/97/570004997.db2.gz GTKZPTNNXWZMTK-UHFFFAOYSA-N 0 0 460.643 6.143 40 0 JKABRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)c2C)cc1 ZINC000408666973 570005019 /nfs/dbraw/zinc/00/50/19/570005019.db2.gz IKCWBTRCACFOSH-UHFFFAOYSA-N 0 0 479.363 6.621 40 0 JKABRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3ccccc3C)cc2)c1 ZINC000408667078 570005051 /nfs/dbraw/zinc/00/50/51/570005051.db2.gz IZKXMIAHZZKYMP-UHFFFAOYSA-N 0 0 488.584 6.120 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000225552737 570005087 /nfs/dbraw/zinc/00/50/87/570005087.db2.gz DZOVSDPNHKEQAY-GBXCKJPGSA-N 0 0 475.098 6.243 40 0 JKABRN COc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000408667211 570005146 /nfs/dbraw/zinc/00/51/46/570005146.db2.gz PQWJMTUDKQLFBJ-SNYIIPAISA-N 0 0 467.562 5.108 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1Cl ZINC000408667228 570005182 /nfs/dbraw/zinc/00/51/82/570005182.db2.gz PSQAMPHCIQIIAZ-GERBCZOESA-N 0 0 486.008 6.062 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1Cl ZINC000408667233 570005201 /nfs/dbraw/zinc/00/52/01/570005201.db2.gz PSQAMPHCIQIIAZ-WPSZSDGUSA-N 0 0 486.008 6.062 40 0 JKABRN COc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000408667268 570005203 /nfs/dbraw/zinc/00/52/03/570005203.db2.gz QAGKEZFKDHIJBY-KHCICDEESA-N 0 0 467.562 5.108 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000408667244 570005220 /nfs/dbraw/zinc/00/52/20/570005220.db2.gz PWLKGFNNROMPPV-UHFFFAOYSA-N 0 0 480.948 5.650 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000225553213 570005213 /nfs/dbraw/zinc/00/52/13/570005213.db2.gz AYYSKDFHHDVDDC-MBSDFSHPSA-N 0 0 495.516 6.257 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000225553050 570005230 /nfs/dbraw/zinc/00/52/30/570005230.db2.gz IDOXFESEQRWXTF-JPYJTQIMSA-N 0 0 495.516 6.257 40 0 JKABRN O=C(CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408667361 570005251 /nfs/dbraw/zinc/00/52/51/570005251.db2.gz STOFUEMCLFDTNN-UHFFFAOYSA-N 0 0 487.339 5.686 40 0 JKABRN COc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000408667271 570005263 /nfs/dbraw/zinc/00/52/63/570005263.db2.gz QAGKEZFKDHIJBY-XLNZFTOWSA-N 0 0 467.562 5.108 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)c1 ZINC000408667313 570005272 /nfs/dbraw/zinc/00/52/72/570005272.db2.gz QDJDUYWKHQUXRR-QYXIYQDXSA-N 0 0 465.590 5.717 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C(C)C ZINC000225554206 570005294 /nfs/dbraw/zinc/00/52/94/570005294.db2.gz SGOLUMITOAUCRJ-LOSJGSFVSA-N 0 0 461.635 5.028 40 0 JKABRN CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000408667323 570005283 /nfs/dbraw/zinc/00/52/83/570005283.db2.gz QDZSAWIVSVVZBS-WSUBETFTSA-N 0 0 479.573 5.302 40 0 JKABRN CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000408667318 570005305 /nfs/dbraw/zinc/00/53/05/570005305.db2.gz QDZSAWIVSVVZBS-KDSXSNECSA-N 0 0 479.573 5.302 40 0 JKABRN O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccccc2Cl)CCCCC1 ZINC000225554172 570005323 /nfs/dbraw/zinc/00/53/23/570005323.db2.gz RTYMGRYHZNCRIQ-UHFFFAOYSA-N 0 0 457.014 5.282 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000225554490 570005327 /nfs/dbraw/zinc/00/53/27/570005327.db2.gz ZQFWOKXUUQYVDC-WUFINQPMSA-N 0 0 495.652 5.436 40 0 JKABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1Cl ZINC000225556024 570005407 /nfs/dbraw/zinc/00/54/07/570005407.db2.gz YCBQMDJSCQBYEP-MRXNPFEDSA-N 0 0 453.435 5.169 40 0 JKABRN Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cccc(Cl)c4C)CC3=O)cc2)cc1 ZINC000408667580 570005420 /nfs/dbraw/zinc/00/54/20/570005420.db2.gz ULSJNRIVJSOAHY-IBGZPJMESA-N 0 0 492.959 5.284 40 0 JKABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000225556511 570005455 /nfs/dbraw/zinc/00/54/55/570005455.db2.gz IGZQBYKDWGQBHV-OAHLLOKOSA-N 0 0 471.425 5.308 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000225556450 570005459 /nfs/dbraw/zinc/00/54/59/570005459.db2.gz MRPFSRHHHCPEFC-DYESRHJHSA-N 0 0 465.421 5.403 40 0 JKABRN O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000225556731 570005462 /nfs/dbraw/zinc/00/54/62/570005462.db2.gz KDCGATQZEQDJNY-UHFFFAOYSA-N 0 0 491.459 5.935 40 0 JKABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000225556306 570005499 /nfs/dbraw/zinc/00/54/99/570005499.db2.gz IEJVRVFIPISIBN-HNNXBMFYSA-N 0 0 487.880 5.822 40 0 JKABRN Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccccc3Cl)cc2)c1 ZINC000408667840 570005537 /nfs/dbraw/zinc/00/55/37/570005537.db2.gz ROMXLTQXCUJTIC-UHFFFAOYSA-N 0 0 480.948 5.731 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl ZINC000225557834 570005578 /nfs/dbraw/zinc/00/55/78/570005578.db2.gz BUOBIOQFSJWQJN-XXBNENTESA-N 0 0 461.071 5.604 40 0 JKABRN O=C(CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000408667913 570005631 /nfs/dbraw/zinc/00/56/31/570005631.db2.gz UBOOVTDBWJEGCH-UHFFFAOYSA-N 0 0 487.339 5.686 40 0 JKABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 ZINC000225563673 570005871 /nfs/dbraw/zinc/00/58/71/570005871.db2.gz YKGGTPSIYCIRDS-SFTDATJTSA-N 0 0 457.024 5.106 40 0 JKABRN Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)c1 ZINC000408668459 570005892 /nfs/dbraw/zinc/00/58/92/570005892.db2.gz LPDLSSSNJNWFKP-UHFFFAOYSA-N 0 0 488.584 6.003 40 0 JKABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 ZINC000225563763 570005963 /nfs/dbraw/zinc/00/59/63/570005963.db2.gz YKGGTPSIYCIRDS-NHCUHLMSSA-N 0 0 457.024 5.106 40 0 JKABRN Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000408668513 570006005 /nfs/dbraw/zinc/00/60/05/570006005.db2.gz UEOHOYQTWAQYNT-UHFFFAOYSA-N 0 0 464.493 5.217 40 0 JKABRN Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000408668542 570006018 /nfs/dbraw/zinc/00/60/18/570006018.db2.gz UPPHXARTHNWZSK-UHFFFAOYSA-N 0 0 494.975 6.040 40 0 JKABRN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1ccc(-c2ccccc2)cc1 ZINC000408668687 570006098 /nfs/dbraw/zinc/00/60/98/570006098.db2.gz DTCCGTIPQSMIIZ-QYVRTBTHSA-N 0 0 484.555 5.184 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000225566143 570006187 /nfs/dbraw/zinc/00/61/87/570006187.db2.gz JIFBDOMFNDOHEG-RUZDIDTESA-N 0 0 479.020 5.030 40 0 JKABRN O=C(Nc1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1)c1ccccc1 ZINC000408668756 570006193 /nfs/dbraw/zinc/00/61/93/570006193.db2.gz FAWRNZIDLPLOQZ-UHFFFAOYSA-N 0 0 480.134 6.353 40 0 JKABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000225567861 570006311 /nfs/dbraw/zinc/00/63/11/570006311.db2.gz BGMCHFWFWUFHDL-KRWDZBQOSA-N 0 0 451.394 5.094 40 0 JKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1C1CC1 ZINC000225566581 570006218 /nfs/dbraw/zinc/00/62/18/570006218.db2.gz QREDQZYZFMOAQI-CLJLJLNGSA-N 0 0 473.646 5.145 40 0 JKABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 ZINC000408669012 570006272 /nfs/dbraw/zinc/00/62/72/570006272.db2.gz WQRYHMJBPUHQNO-URFUVCHWSA-N 0 0 464.348 5.183 40 0 JKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225567343 570006303 /nfs/dbraw/zinc/00/63/03/570006303.db2.gz HWDJEDAZOVLAOX-UHFFFAOYSA-N 0 0 456.951 5.169 40 0 JKABRN CCc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000408669087 570006328 /nfs/dbraw/zinc/00/63/28/570006328.db2.gz WGERVOFARMUFRO-DZRGJMJISA-N 0 0 465.590 5.662 40 0 JKABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000225568419 570006374 /nfs/dbraw/zinc/00/63/74/570006374.db2.gz AYPMZRVMICUWAI-UIOOFZCWSA-N 0 0 473.646 5.308 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1C(C)C ZINC000225568929 570006410 /nfs/dbraw/zinc/00/64/10/570006410.db2.gz AOUOUKJROUGTDF-UIOOFZCWSA-N 0 0 475.662 5.391 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225568463 570006419 /nfs/dbraw/zinc/00/64/19/570006419.db2.gz OYWBYGWXSKHGRK-MUUNZHRXSA-N 0 0 456.630 5.437 40 0 JKABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000225569580 570006457 /nfs/dbraw/zinc/00/64/57/570006457.db2.gz SBWIRIRCXWRCCZ-NRFANRHFSA-N 0 0 463.021 5.804 40 0 JKABRN COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000408669604 570006604 /nfs/dbraw/zinc/00/66/04/570006604.db2.gz XFPYODBEVKWXGR-UHFFFAOYSA-N 0 0 496.947 5.432 40 0 JKABRN Cc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1Cl ZINC000408669655 570006610 /nfs/dbraw/zinc/00/66/10/570006610.db2.gz XXJJCJXYSNEDIB-UHFFFAOYSA-N 0 0 481.774 5.010 40 0 JKABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000225572703 570006700 /nfs/dbraw/zinc/00/67/00/570006700.db2.gz WSRCOINBNZIWFG-OAHLLOKOSA-N 0 0 487.880 5.822 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000225572912 570006709 /nfs/dbraw/zinc/00/67/09/570006709.db2.gz YBGNZKKRSUIHFK-RUZDIDTESA-N 0 0 481.061 5.268 40 0 JKABRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(Br)cc3)c2C)cc1 ZINC000408669730 570006696 /nfs/dbraw/zinc/00/66/96/570006696.db2.gz OCFHXZPZFGPOGW-UHFFFAOYSA-N 0 0 489.369 6.077 40 0 JKABRN COc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 ZINC000408669711 570006723 /nfs/dbraw/zinc/00/67/23/570006723.db2.gz YKMQQLYHLYLOAF-KNOQFWTLSA-N 0 0 497.588 5.117 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000225575490 570006795 /nfs/dbraw/zinc/00/67/95/570006795.db2.gz GPPNICQBFBBHBG-CVDCTZTESA-N 0 0 489.454 5.167 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000225574435 570006803 /nfs/dbraw/zinc/00/68/03/570006803.db2.gz GXGUBIAFFYPGQC-RDPSFJRHSA-N 0 0 459.030 5.530 40 0 JKABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225575591 570006819 /nfs/dbraw/zinc/00/68/19/570006819.db2.gz FSUYMUGSUPZZQM-ITYLOYPMSA-N 0 0 468.578 6.290 40 0 JKABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 ZINC000225575705 570006858 /nfs/dbraw/zinc/00/68/58/570006858.db2.gz XFLYQKXQFXAJKI-IZLXSDGUSA-N 0 0 495.652 5.490 40 0 JKABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1 ZINC000225575868 570006866 /nfs/dbraw/zinc/00/68/66/570006866.db2.gz BAQFTKARCLOAJB-WUFINQPMSA-N 0 0 495.652 5.490 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000408670140 570006913 /nfs/dbraw/zinc/00/69/13/570006913.db2.gz IDLJNDXQJQYXRY-UHFFFAOYSA-N 0 0 485.721 5.164 40 0 JKABRN CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408670189 570006914 /nfs/dbraw/zinc/00/69/14/570006914.db2.gz XIEOHLZPMAHHPX-UHFFFAOYSA-N 0 0 474.557 5.504 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000225578120 570007009 /nfs/dbraw/zinc/00/70/09/570007009.db2.gz VSZMXRXZLFVFIW-OUTSHDOLSA-N 0 0 470.657 6.239 40 0 JKABRN C[C@@H](NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000408670274 570007008 /nfs/dbraw/zinc/00/70/08/570007008.db2.gz ZCUVSHVSVBWCIK-LJQANCHMSA-N 0 0 494.975 5.662 40 0 JKABRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000408670328 570007010 /nfs/dbraw/zinc/00/70/10/570007010.db2.gz ZJTMQJLPSPTLEB-UHFFFAOYSA-N 0 0 488.165 5.047 40 0 JKABRN COc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(OC)c1 ZINC000408670318 570007035 /nfs/dbraw/zinc/00/70/35/570007035.db2.gz ZHZJGKOUSSEWQW-MFSJNOQSSA-N 0 0 497.588 5.117 40 0 JKABRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)Nc1ccccc1Cl ZINC000408670360 570007043 /nfs/dbraw/zinc/00/70/43/570007043.db2.gz ZNXFOIVBQBBFFM-UHFFFAOYSA-N 0 0 488.165 5.047 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)N[C@H](C)CC)cc1OCC ZINC000225579537 570007064 /nfs/dbraw/zinc/00/70/64/570007064.db2.gz NVYYRPSVJIJOQW-RCZVLFRGSA-N 0 0 482.665 5.447 40 0 JKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)N[C@@H]3CC(C)(C)Oc4ccccc43)c2)cc1 ZINC000225578272 570007096 /nfs/dbraw/zinc/00/70/96/570007096.db2.gz PWFGNGKVQWXYGI-XMMPIXPASA-N 0 0 472.654 6.804 40 0 JKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225578263 570007148 /nfs/dbraw/zinc/00/71/48/570007148.db2.gz JKUOUFXDOAJVCY-UHFFFAOYSA-N 0 0 469.025 6.622 40 0 JKABRN O=C(NCCSCc1c(Cl)cccc1Cl)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225578760 570007154 /nfs/dbraw/zinc/00/71/54/570007154.db2.gz NXOZECSPDIXTTI-UHFFFAOYSA-N 0 0 489.871 6.048 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000225579881 570007228 /nfs/dbraw/zinc/00/72/28/570007228.db2.gz GUXPEKBEULESBP-BKMJKUGQSA-N 0 0 499.655 5.611 40 0 JKABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000225581789 570007296 /nfs/dbraw/zinc/00/72/96/570007296.db2.gz ADXKIMHWTBFDLV-FTJBHMTQSA-N 0 0 473.646 5.308 40 0 JKABRN CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C ZINC000225583288 570007445 /nfs/dbraw/zinc/00/74/45/570007445.db2.gz RKYTUZWYLBCOGI-KRWDZBQOSA-N 0 0 450.406 6.474 40 0 JKABRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000408671091 570007498 /nfs/dbraw/zinc/00/74/98/570007498.db2.gz SPVKICSCVPNWHA-UHFFFAOYSA-N 0 0 492.547 5.950 40 0 JKABRN Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc(C)c1OCc1ccccc1 ZINC000225583365 570007528 /nfs/dbraw/zinc/00/75/28/570007528.db2.gz ZRVDCLGHWKPERV-UHFFFAOYSA-N 0 0 484.423 6.876 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000408671229 570007595 /nfs/dbraw/zinc/00/75/95/570007595.db2.gz KFPUWNRGBQGZMR-UHFFFAOYSA-N 0 0 459.716 6.008 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)c2)cc1 ZINC000225586206 570007806 /nfs/dbraw/zinc/00/78/06/570007806.db2.gz IDJQVDIXADJQHL-UHFFFAOYSA-N 0 0 499.017 5.244 40 0 JKABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1 ZINC000225587356 570007818 /nfs/dbraw/zinc/00/78/18/570007818.db2.gz WEACWISHLPRJLJ-SVBPBHIXSA-N 0 0 499.615 5.321 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1Cl ZINC000225586508 570007822 /nfs/dbraw/zinc/00/78/22/570007822.db2.gz ZBXNWBRPZPUHJB-YWZLYKJASA-N 0 0 485.839 5.748 40 0 JKABRN O=C(Nc1ccccc1)c1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000408671691 570007831 /nfs/dbraw/zinc/00/78/31/570007831.db2.gz KZXNEKYOYCHDJJ-UHFFFAOYSA-N 0 0 480.134 6.353 40 0 JKABRN Cc1cccc([C@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c2ccccc2)c1 ZINC000225587611 570007874 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CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408811148 570049130 /nfs/dbraw/zinc/04/91/30/570049130.db2.gz MBUIEOAHCMGPMH-HMAPJEAMSA-N 0 0 483.948 6.698 40 0 JKABRN CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c2ccccc12 ZINC000408811625 570049265 /nfs/dbraw/zinc/04/92/65/570049265.db2.gz LRUARVSOPWDNOI-NENZRGSBSA-N 0 0 471.646 7.293 40 0 JKABRN COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000408811836 570049389 /nfs/dbraw/zinc/04/93/89/570049389.db2.gz RVGMPKMDNABCOX-UHFFFAOYSA-N 0 0 483.972 6.138 40 0 JKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 ZINC000408812617 570049444 /nfs/dbraw/zinc/04/94/44/570049444.db2.gz PDJOHIFMJIQSSD-UHFFFAOYSA-N 0 0 453.628 6.067 40 0 JKABRN COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408812767 570049553 /nfs/dbraw/zinc/04/95/53/570049553.db2.gz TWMBRQHKSBOEKK-UHFFFAOYSA-N 0 0 483.972 6.138 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc(Cl)c1O ZINC000408812916 570049557 /nfs/dbraw/zinc/04/95/57/570049557.db2.gz PVBLLWQUEBAMBO-HFSVPUNZSA-N 0 0 472.030 6.498 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408812723 570049582 /nfs/dbraw/zinc/04/95/82/570049582.db2.gz PKZBHUFSVYDMCZ-PXNMLYILSA-N 0 0 458.750 5.901 40 0 JKABRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(Cc2ccccc2)c2ccccc12 ZINC000408813106 570049656 /nfs/dbraw/zinc/04/96/56/570049656.db2.gz FEPQXRDJTVXPBR-UHFFFAOYSA-N 0 0 458.558 5.051 40 0 JKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)S1 ZINC000408813318 570049692 /nfs/dbraw/zinc/04/96/92/570049692.db2.gz MXFMFVOLRQROMO-UHFFFAOYSA-N 0 0 486.016 7.144 40 0 JKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)SC1Nc1ccccc1 ZINC000408813815 570049805 /nfs/dbraw/zinc/04/98/05/570049805.db2.gz RHBGZJMUDLUALZ-BLWGZLMCSA-N 0 0 455.987 6.123 40 0 JKABRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408814137 570049886 /nfs/dbraw/zinc/04/98/86/570049886.db2.gz QGODIYSMKKBQKG-DEDYPNTBSA-N 0 0 477.611 5.611 40 0 JKABRN CCOc1ccc(Cl)cc1/C=C1\SC(Nc2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408814898 570050270 /nfs/dbraw/zinc/05/02/70/570050270.db2.gz HZTCJALJWDUWMS-PDMLIXRGSA-N 0 0 456.031 6.793 40 0 JKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccccc2OCc2cccc(Cl)c2)S1 ZINC000408815069 570050288 /nfs/dbraw/zinc/05/02/88/570050288.db2.gz UEBKSNJBHODWMV-UHFFFAOYSA-N 0 0 465.982 5.999 40 0 JKABRN COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)ccc1OCc1ccccc1 ZINC000408815692 570050346 /nfs/dbraw/zinc/05/03/46/570050346.db2.gz TVSFHXKMKUCWQK-UHFFFAOYSA-N 0 0 465.982 5.999 40 0 JKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)C1=O ZINC000408815540 570050402 /nfs/dbraw/zinc/05/04/02/570050402.db2.gz HXWTWXHIRIYRQJ-NVNXTCNLSA-N 0 0 456.720 5.487 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408816279 570050550 /nfs/dbraw/zinc/05/05/50/570050550.db2.gz LCJGQECPGPGTGM-IUXPMGMMSA-N 0 0 468.756 5.356 40 0 JKABRN CCCCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000408816406 570050579 /nfs/dbraw/zinc/05/05/79/570050579.db2.gz YNOVBMOJDBLURX-RWKDAGRZSA-N 0 0 479.666 6.928 40 0 JKABRN Cc1cccc(COc2c(Br)cc(/C=C3\SC(=O)N(C)C3=O)cc2Br)c1 ZINC000408816732 570050735 /nfs/dbraw/zinc/05/07/35/570050735.db2.gz WNKWVXXUZTXOMR-SXGWCWSVSA-N 0 0 497.208 5.765 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408817977 570051092 /nfs/dbraw/zinc/05/10/92/570051092.db2.gz XIDOPMDGFRABBS-OYKKKHCWSA-N 0 0 475.522 5.634 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408818173 570051155 /nfs/dbraw/zinc/05/11/55/570051155.db2.gz PDICUJYITWMRCZ-SXGWCWSVSA-N 0 0 468.756 5.356 40 0 JKABRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc(OC)c1OC ZINC000408818550 570051255 /nfs/dbraw/zinc/05/12/55/570051255.db2.gz XEGYCYSTFZTBNZ-IITPGXHISA-N 0 0 467.611 5.766 40 0 JKABRN Cc1ccc(COc2c(Cl)cc(/C=C3\SC(=O)N(C)C3=O)cc2Br)cc1 ZINC000408818691 570051285 /nfs/dbraw/zinc/05/12/85/570051285.db2.gz YMUBPWCLWZNEBJ-SXGWCWSVSA-N 0 0 452.757 5.656 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408820471 570051726 /nfs/dbraw/zinc/05/17/26/570051726.db2.gz WJEJMNYZYZONMF-YVLHZVERSA-N 0 0 466.328 5.232 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408820414 570051767 /nfs/dbraw/zinc/05/17/67/570051767.db2.gz XNUPGQDLZBWAKP-BKUYFWCQSA-N 0 0 453.947 6.137 40 0 JKABRN CC1=CC(/C=C2\SC(=O)N(c3ccccc3)C2=O)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408820376 570051785 /nfs/dbraw/zinc/05/17/85/570051785.db2.gz XLATYLSLFJNAPJ-VBWNAURHSA-N 0 0 479.601 7.410 40 0 JKABRN CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(OC)c(OC)c1 ZINC000408822791 570052153 /nfs/dbraw/zinc/05/21/53/570052153.db2.gz MDCGYCAMYGLVSZ-UHFFFAOYSA-N 0 0 461.381 5.795 40 0 JKABRN CCCc1sc(NC(=O)c2ccc(OC)c(Br)c2)nc1-c1ccc(C)c(C)c1 ZINC000408823851 570052193 /nfs/dbraw/zinc/05/21/93/570052193.db2.gz FPVMHNYATWAVCC-UHFFFAOYSA-N 0 0 459.409 6.403 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408823719 570052203 /nfs/dbraw/zinc/05/22/03/570052203.db2.gz OOTHJNSSQCMWNF-NVMNQCDNSA-N 0 0 466.328 5.232 40 0 JKABRN CCCc1sc(NC(=O)c2ccc(OC)c(Br)c2)nc1-c1ccc(OCC)cc1 ZINC000408823016 570052241 /nfs/dbraw/zinc/05/22/41/570052241.db2.gz DCQRYFMMAZLHPM-UHFFFAOYSA-N 0 0 475.408 6.185 40 0 JKABRN COc1ccccc1N1CCN(Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)CC1 ZINC000408827005 570052429 /nfs/dbraw/zinc/05/24/29/570052429.db2.gz FJRVRCICAZQZRO-UHFFFAOYSA-N 0 0 496.076 5.193 40 0 JKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccc(Br)cc1 ZINC000408828621 570052539 /nfs/dbraw/zinc/05/25/39/570052539.db2.gz NIGGTTDUWLDQDR-UHFFFAOYSA-N 0 0 469.791 7.145 40 0 JKABRN COc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)cc3)s2)cc(OC)c1OC ZINC000408829410 570052641 /nfs/dbraw/zinc/05/26/41/570052641.db2.gz NXSAOAIXPCVJPB-UHFFFAOYSA-N 0 0 460.555 6.064 40 0 JKABRN CCCc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1cc(OC)cc(OC)c1 ZINC000408829584 570052681 /nfs/dbraw/zinc/05/26/81/570052681.db2.gz MXGSSQNYFGWRKY-UHFFFAOYSA-N 0 0 472.563 5.058 40 0 JKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1cccc(F)c1 ZINC000408832881 570052860 /nfs/dbraw/zinc/05/28/60/570052860.db2.gz SAKKENBYYBASDR-UHFFFAOYSA-N 0 0 450.538 7.536 40 0 JKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(OC)c(OC)c1 ZINC000408835257 570053060 /nfs/dbraw/zinc/05/30/60/570053060.db2.gz YCYFVKHJIOGKKS-UHFFFAOYSA-N 0 0 451.375 6.339 40 0 JKABRN CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408836211 570053179 /nfs/dbraw/zinc/05/31/79/570053179.db2.gz ZTUVKXPNYNPDKZ-UHFFFAOYSA-N 0 0 467.421 7.989 40 0 JKABRN O=C(Oc1ccccc1/C=C1/N=C(Cc2ccccc2)OC1=O)c1ccc(Cl)cc1Cl ZINC000408838778 570053377 /nfs/dbraw/zinc/05/33/77/570053377.db2.gz IHYCPXUCDPPSOI-DEDYPNTBSA-N 0 0 452.293 5.752 40 0 JKABRN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1sc2cc(Br)ccc2c1Cl ZINC000408839318 570053396 /nfs/dbraw/zinc/05/33/96/570053396.db2.gz QOSARXITQIVWGY-UHFFFAOYSA-N 0 0 475.747 6.132 40 0 JKABRN Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc(Br)cc3)OC2=O)c1 ZINC000408839008 570053421 /nfs/dbraw/zinc/05/34/21/570053421.db2.gz LNZSDGIHJJMHJY-XSFVSMFZSA-N 0 0 462.299 5.321 40 0 JKABRN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000408838475 570053449 /nfs/dbraw/zinc/05/34/49/570053449.db2.gz FQNOYWZQTNSIEE-KGENOOAVSA-N 0 0 492.325 5.330 40 0 JKABRN O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccc(Br)o1 ZINC000408840085 570053475 /nfs/dbraw/zinc/05/34/75/570053475.db2.gz XMFGPPGCHXGSJO-UXBLZVDNSA-N 0 0 487.556 6.017 40 0 JKABRN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2ccccc2)OC1=O)c1ccc(Cl)cc1 ZINC000408840058 570053480 /nfs/dbraw/zinc/05/34/80/570053480.db2.gz AQYDEUWTDOTTKG-CPNJWEJPSA-N 0 0 482.717 5.666 40 0 JKABRN O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1 ZINC000408840376 570053581 /nfs/dbraw/zinc/05/35/81/570053581.db2.gz YKVBTMCVKCWRMP-NTUHNPAUSA-N 0 0 453.144 6.315 40 0 JKABRN COc1ccc(C2=N/C(=C/c3cc(Br)ccc3OC(=O)c3ccc(C)cc3)C(=O)O2)cc1 ZINC000408840353 570053593 /nfs/dbraw/zinc/05/35/93/570053593.db2.gz AYJWMKVGZYUROB-KGENOOAVSA-N 0 0 492.325 5.330 40 0 JKABRN O=C(Oc1ccccc1/C=C1/N=C(/C=C/c2ccccc2)OC1=O)c1ccc(Cl)cc1Cl ZINC000408840427 570053601 /nfs/dbraw/zinc/05/36/01/570053601.db2.gz YQVUDQGBGGGMGK-XFSMVHDFSA-N 0 0 464.304 6.222 40 0 JKABRN O=C(Oc1ccccc1/C=C1/N=C(/C=C/c2ccccc2)OC1=O)c1ccc(Br)cc1 ZINC000408840312 570053612 /nfs/dbraw/zinc/05/36/12/570053612.db2.gz AMALIAVNRWQKCX-YLGLTRLVSA-N 0 0 474.310 5.678 40 0 JKABRN COc1ccc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)cc1O ZINC000408840641 570053635 /nfs/dbraw/zinc/05/36/35/570053635.db2.gz ZQVABWMIWLDFPH-WUXMJOGZSA-N 0 0 464.724 5.376 40 0 JKABRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O)c1sc2ccccc2c1Cl ZINC000408841172 570053693 /nfs/dbraw/zinc/05/36/93/570053693.db2.gz FWJYKHMJBVBAAE-QGOAFFKASA-N 0 0 494.355 6.772 40 0 JKABRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3ccccc3c2Cl)c(C)c1 ZINC000408842007 570053829 /nfs/dbraw/zinc/05/38/29/570053829.db2.gz HTMZMWHLXQBPHZ-UHFFFAOYSA-N 0 0 474.969 6.072 40 0 JKABRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3ccccc3c2Cl)cc1 ZINC000408842363 570053912 /nfs/dbraw/zinc/05/39/12/570053912.db2.gz JJHYBBGFAQDONN-UHFFFAOYSA-N 0 0 460.942 5.764 40 0 JKABRN O=C(c1sc2ccccc2c1Cl)N(CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000408842315 570053937 /nfs/dbraw/zinc/05/39/37/570053937.db2.gz IZNQPFODMJLKHY-UHFFFAOYSA-N 0 0 481.360 6.109 40 0 JKABRN Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000408842930 570053972 /nfs/dbraw/zinc/05/39/72/570053972.db2.gz KMUIFMMLHUYFDM-UHFFFAOYSA-N 0 0 495.387 6.417 40 0 JKABRN CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408843069 570054018 /nfs/dbraw/zinc/05/40/18/570054018.db2.gz LMMBNDAUQIGMFZ-KGENOOAVSA-N 0 0 461.901 5.611 40 0 JKABRN CCS[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000242649283 570054061 /nfs/dbraw/zinc/05/40/61/570054061.db2.gz RZVKVTBAQRMTEH-ODBUGSOWSA-N 0 0 478.654 6.241 40 0 biogenic JKABRN CCOc1cc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)ccc1OC(=O)c1ccco1 ZINC000408843549 570054081 /nfs/dbraw/zinc/05/40/81/570054081.db2.gz MAIHOKYNYTYENY-FOWTUZBSSA-N 0 0 493.924 6.110 40 0 JKABRN O=C(Cc1ccccc1)Oc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)OC1=O ZINC000408843740 570054135 /nfs/dbraw/zinc/05/41/35/570054135.db2.gz MXOUKNWSULWTFO-XDJHFCHBSA-N 0 0 473.937 6.047 40 0 JKABRN Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000408843572 570054136 /nfs/dbraw/zinc/05/41/36/570054136.db2.gz MFADXDWATZJGCO-XSFVSMFZSA-N 0 0 462.299 5.321 40 0 JKABRN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/N=C(c3ccccc3)OC2=O)cc1 ZINC000408845198 570054313 /nfs/dbraw/zinc/05/43/13/570054313.db2.gz PKRWUMRNPPDMJV-XSFVSMFZSA-N 0 0 478.298 5.021 40 0 JKABRN COc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)C(=O)O2)cc1 ZINC000408846399 570054552 /nfs/dbraw/zinc/05/45/52/570054552.db2.gz SGFXWJTXRYFTQP-UDWIEESQSA-N 0 0 468.292 5.566 40 0 JKABRN CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000408846063 570054577 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CC(C)Cn1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409127069 570138490 /nfs/dbraw/zinc/13/84/90/570138490.db2.gz QCRZMVBRIAJBHB-JJFYIABZSA-N 0 0 452.963 5.870 40 0 JKABRN O=C(c1cccc(OCc2ccc(F)cc2)c1)N1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000257300424 570138610 /nfs/dbraw/zinc/13/86/10/570138610.db2.gz RUEPPGVSFXCAAZ-AREMUKBSSA-N 0 0 461.533 5.247 40 0 JKABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@@H](c4cccc(Cc5ccc(F)cc5)n4)C3)c2)n1 ZINC000257301100 570138738 /nfs/dbraw/zinc/13/87/38/570138738.db2.gz RWZIBKRAVZAHAR-XMMPIXPASA-N 0 0 468.576 5.634 40 0 JKABRN O=C(OCc1ccccc1)N1CC[C@@H](O)[C@H]([C@H](Nc2cccc(F)c2)c2ccc(Cl)cc2)C1 ZINC000257301056 570138747 /nfs/dbraw/zinc/13/87/47/570138747.db2.gz RWUVYIGKTDVJLA-UBFVSLLYSA-N 0 0 468.956 5.652 40 0 JKABRN O=C(c1cccc(Cn2cncn2)c1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000257301080 570138770 /nfs/dbraw/zinc/13/87/70/570138770.db2.gz RWXJMWZINKFPCA-RUZDIDTESA-N 0 0 491.517 5.308 40 0 JKABRN CC(=O)NCCCCCC(=O)N1CC[C@H]2[C@H](C[C@@](C)(Cc3cccc(C)c3)N2c2ccc(F)cc2)C1 ZINC000257301246 570138800 /nfs/dbraw/zinc/13/88/00/570138800.db2.gz RXQPFTLOXVFOTF-JEBMXCGPSA-N 0 0 493.667 5.259 40 0 JKABRN CC(C(=O)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1)(c1ccccc1)c1ccccc1 ZINC000257301624 570138935 /nfs/dbraw/zinc/13/89/35/570138935.db2.gz RZDZAMUKNUHDNQ-DEOSSOPVSA-N 0 0 450.582 5.259 40 0 JKABRN CCc1cccc2c(/C=C3\SC(=O)N(c4ccccc4)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c21 ZINC000409128154 570138983 /nfs/dbraw/zinc/13/89/83/570138983.db2.gz HPAFPAHGRNPNFO-VKINRBECSA-N 0 0 487.625 5.846 40 0 JKABRN COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000409128467 570139073 /nfs/dbraw/zinc/13/90/73/570139073.db2.gz FBQXDFZYFLMHAS-WOJGMQOQSA-N 0 0 468.358 5.264 40 0 JKABRN O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NCc1cccs1 ZINC000409128568 570139152 /nfs/dbraw/zinc/13/91/52/570139152.db2.gz PRAXGYGHTPNUQP-QRVIBDJDSA-N 0 0 487.606 5.256 40 0 JKABRN 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Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@H]1C[C@@H](NC(=O)C(C)(C)C)c1ccccn1 ZINC000257304145 570139616 /nfs/dbraw/zinc/13/96/16/570139616.db2.gz SKGKAIQYJWGLSF-SIKLNZKXSA-N 0 0 482.024 6.078 40 0 JKABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@@H]3c3cccc(Cc4ccccc4F)n3)c2)n1 ZINC000257305276 570139817 /nfs/dbraw/zinc/13/98/17/570139817.db2.gz SPGAWLNPWIUHQD-HHHXNRCGSA-N 0 0 454.549 5.591 40 0 JKABRN CC(C(=O)N1CCOC[C@@H](Cc2cccc3cnccc32)C1)(c1ccccc1)c1ccccc1 ZINC000257304858 570139918 /nfs/dbraw/zinc/13/99/18/570139918.db2.gz SNKXGIOVOAFYRV-QHCPKHFHSA-N 0 0 450.582 5.259 40 0 JKABRN Cc1cc(I)ccc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000409130541 570139936 /nfs/dbraw/zinc/13/99/36/570139936.db2.gz HZJARJNVVODODT-UHFFFAOYSA-N 0 0 459.352 6.144 40 0 JKABRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409130550 570139941 /nfs/dbraw/zinc/13/99/41/570139941.db2.gz IEOBZYWIRIGMQW-CQSZACIVSA-N 0 0 492.432 5.135 40 0 JKABRN Cn1cc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCCCC3)C2)c2ccccc21 ZINC000257305490 570139987 /nfs/dbraw/zinc/13/99/87/570139987.db2.gz SQGJRVMCQPOCPS-GDLZYMKVSA-N 0 0 491.607 5.021 40 0 JKABRN Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 ZINC000409130934 570139993 /nfs/dbraw/zinc/13/99/93/570139993.db2.gz OKQMCHZDPDMKKX-XIEYBQDHSA-N 0 0 486.593 5.682 40 0 JKABRN Cc1cc(C)cc(C2(C(=O)N3CCC[C@@H]3c3cccc(Cc4ccccc4F)n3)CCOCC2)c1 ZINC000257305793 570140028 /nfs/dbraw/zinc/14/00/28/570140028.db2.gz SRNYAOPEYICMAQ-MUUNZHRXSA-N 0 0 472.604 5.840 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)c2ccc(Cl)cc2C)cc1 ZINC000409130809 570140068 /nfs/dbraw/zinc/14/00/68/570140068.db2.gz UXTZJCDUMSQRDL-UHFFFAOYSA-N 0 0 471.022 5.716 40 0 JKABRN O=C1S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000409131116 570140190 /nfs/dbraw/zinc/14/01/90/570140190.db2.gz NCBFPSIZJONERG-IWIPYMOSSA-N 0 0 474.969 6.615 40 0 JKABRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)cc1 ZINC000409131288 570140207 /nfs/dbraw/zinc/14/02/07/570140207.db2.gz 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570158051 /nfs/dbraw/zinc/15/80/51/570158051.db2.gz KQEVHVBYRYVIMC-AREMUKBSSA-N 0 0 469.924 6.373 40 0 JKABRN Cc1cccc(-c2ccc(OC(=O)c3ccc(COc4ccc(Br)cc4)cc3)c(C)c2)c1 ZINC000409178781 570158085 /nfs/dbraw/zinc/15/80/85/570158085.db2.gz NIHVMUOEVJJFBT-UHFFFAOYSA-N 0 0 487.393 7.531 40 0 JKABRN O=C(CCC(=O)OCc1ccc(Cl)cc1Cl)Nc1ccc(Br)c2cccnc12 ZINC000409178869 570158151 /nfs/dbraw/zinc/15/81/51/570158151.db2.gz NZRALTOODAZQCZ-UHFFFAOYSA-N 0 0 482.161 5.766 40 0 JKABRN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc(Br)cc3F)c2)o1 ZINC000409179155 570158196 /nfs/dbraw/zinc/15/81/96/570158196.db2.gz KMCMOIPBXQGMLM-UHFFFAOYSA-N 0 0 480.673 5.110 40 0 JKABRN O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000409179220 570158213 /nfs/dbraw/zinc/15/82/13/570158213.db2.gz PYBRNZAEDALAMP-UHFFFAOYSA-N 0 0 469.286 6.583 40 0 JKABRN COc1cc(CNc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409179206 570158239 /nfs/dbraw/zinc/15/82/39/570158239.db2.gz KWEWRFHRVYLIOO-UHFFFAOYSA-N 0 0 489.797 6.049 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1 ZINC000409179156 570158251 /nfs/dbraw/zinc/15/82/51/570158251.db2.gz NLRRAALFLCBFAM-UHFFFAOYSA-N 0 0 493.515 5.506 40 0 JKABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409179363 570158301 /nfs/dbraw/zinc/15/83/01/570158301.db2.gz MHAHCPKEDQDDHT-CAOOACKPSA-N 0 0 495.782 5.095 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)c2ccc(C(C)C)cc2)cc1 ZINC000260796184 570158325 /nfs/dbraw/zinc/15/83/25/570158325.db2.gz YRXVOOHEDHBKQL-QFIPXVFZSA-N 0 0 464.631 5.234 40 0 JKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000409179641 570158407 /nfs/dbraw/zinc/15/84/07/570158407.db2.gz SEJGJJKRECLXIJ-MRXNPFEDSA-N 0 0 473.425 6.356 40 0 JKABRN Cc1ccc(OCc2ccc(C(=O)O[C@H](C(=O)c3ccc(Cl)cc3)c3ccccc3)cc2)cc1 ZINC000409179654 570158437 /nfs/dbraw/zinc/15/84/37/570158437.db2.gz SHCKRZYNJVOKNK-NDEPHWFRSA-N 0 0 470.952 7.008 40 0 JKABRN O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000409179620 570158446 /nfs/dbraw/zinc/15/84/46/570158446.db2.gz MTBNGPBFJJHHKM-SSEXGKCCSA-N 0 0 484.665 5.598 40 0 JKABRN O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000409179618 570158466 /nfs/dbraw/zinc/15/84/66/570158466.db2.gz QSOMQYFDARBHNW-PCLIKHOPSA-N 0 0 484.349 6.526 40 0 JKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)c(C)c1 ZINC000409179705 570158509 /nfs/dbraw/zinc/15/85/09/570158509.db2.gz UFEZFPCTVPYBED-MTJSOVHGSA-N 0 0 450.491 5.378 40 0 JKABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3cccc4ccccc43)cc2)N2NC=NC2=N1 ZINC000409179820 570158518 /nfs/dbraw/zinc/15/85/18/570158518.db2.gz NSWAZFLPNTUPJR-SANMLTNESA-N 0 0 468.557 5.295 40 0 JKABRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3cccc4ccccc43)cc2)N2NC=NC2=N1 ZINC000409179816 570158544 /nfs/dbraw/zinc/15/85/44/570158544.db2.gz NSWAZFLPNTUPJR-AREMUKBSSA-N 0 0 468.557 5.295 40 0 JKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C2=O)c(C)c1 ZINC000409179824 570158559 /nfs/dbraw/zinc/15/85/59/570158559.db2.gz NTIUTWCSBNEANY-ZVHZXABRSA-N 0 0 490.556 5.697 40 0 JKABRN O=C(OCc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000409179739 570158584 /nfs/dbraw/zinc/15/85/84/570158584.db2.gz UPQMZZYVBHDQIJ-UHFFFAOYSA-N 0 0 495.145 6.458 40 0 JKABRN Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000409179902 570158594 /nfs/dbraw/zinc/15/85/94/570158594.db2.gz PMNYCYXTBOSKPB-UHFFFAOYSA-N 0 0 461.008 5.570 40 0 JKABRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N2NC=NC2=N1 ZINC000409180082 570158666 /nfs/dbraw/zinc/15/86/66/570158666.db2.gz VLPSOYHWCLFOCK-JOCHJYFZSA-N 0 0 487.387 5.449 40 0 JKABRN O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409180145 570158753 /nfs/dbraw/zinc/15/87/53/570158753.db2.gz UNNJYZWCIBMUED-UHFFFAOYSA-N 0 0 465.387 7.295 40 0 JKABRN Cc1ccc(C(=O)[C@@H](OC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c2ccccc2)cc1 ZINC000409180279 570158760 /nfs/dbraw/zinc/15/87/60/570158760.db2.gz XQRAIEZSGFDFRI-QHCPKHFHSA-N 0 0 482.319 5.065 40 0 JKABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)CSCc1ccccc1Cl)N2 ZINC000409180261 570158762 /nfs/dbraw/zinc/15/87/62/570158762.db2.gz VPWTWNLPZMLZOH-STXHMFSFSA-N 0 0 462.965 5.485 40 0 JKABRN O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1c(Cl)cccc1Cl ZINC000409180200 570158798 /nfs/dbraw/zinc/15/87/98/570158798.db2.gz PYFQDPAIEBRZEK-UHFFFAOYSA-N 0 0 469.286 6.583 40 0 JKABRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000409180329 570158799 /nfs/dbraw/zinc/15/87/99/570158799.db2.gz WKHBKMVFRZHBCH-AREMUKBSSA-N 0 0 495.918 5.922 40 0 JKABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)CSCc1ccccc1Cl)N2 ZINC000409180255 570158812 /nfs/dbraw/zinc/15/88/12/570158812.db2.gz VPWTWNLPZMLZOH-QEEYODRMSA-N 0 0 462.965 5.485 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000409180206 570158829 /nfs/dbraw/zinc/15/88/29/570158829.db2.gz XATZUESVSHWHAP-UHFFFAOYSA-N 0 0 476.985 6.369 40 0 JKABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000260808042 570158838 /nfs/dbraw/zinc/15/88/38/570158838.db2.gz FAOFIHNGZZVXRO-JOCHJYFZSA-N 0 0 464.631 5.377 40 0 JKABRN CC[C@@H](C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000260810960 570158861 /nfs/dbraw/zinc/15/88/61/570158861.db2.gz LMEJKZOYDGNVFP-SFTDATJTSA-N 0 0 497.032 5.223 40 0 JKABRN CCOc1ccccc1N(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409180460 570158864 /nfs/dbraw/zinc/15/88/64/570158864.db2.gz TWIBVLWYONWRKB-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1cccc2cccnc21 ZINC000409180508 570158939 /nfs/dbraw/zinc/15/89/39/570158939.db2.gz YUFRJRFLEPLQOI-MHZLTWQESA-N 0 0 472.928 5.774 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000409180732 570158971 /nfs/dbraw/zinc/15/89/71/570158971.db2.gz UWXPJCWNFICAQF-HKOYGPOVSA-N 0 0 458.539 5.568 40 0 JKABRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000409180641 570158990 /nfs/dbraw/zinc/15/89/90/570158990.db2.gz XOWGNKJTBPSOKJ-AREMUKBSSA-N 0 0 495.918 5.922 40 0 JKABRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)o2)cc1 ZINC000409181056 570159156 /nfs/dbraw/zinc/15/91/56/570159156.db2.gz ZSEPCRXASUYTGI-YDZHTSKRSA-N 0 0 474.538 5.441 40 0 JKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409181122 570159165 /nfs/dbraw/zinc/15/91/65/570159165.db2.gz WYSNBDKWUZBQKS-HNNXBMFYSA-N 0 0 495.453 6.222 40 0 JKABRN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000409181060 570159171 /nfs/dbraw/zinc/15/91/71/570159171.db2.gz ZUQHOOVCWIYCMT-UHFFFAOYSA-N 0 0 476.315 6.304 40 0 JKABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000409181134 570159178 /nfs/dbraw/zinc/15/91/78/570159178.db2.gz XKXBCUZSSNOZCC-PCLIKHOPSA-N 0 0 486.593 5.811 40 0 JKABRN CCC(=O)Nc1cc(OC)c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1Cl ZINC000409181008 570159217 /nfs/dbraw/zinc/15/92/17/570159217.db2.gz XWGULDZRIIXTRB-XMMPIXPASA-N 0 0 486.351 6.132 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2)S(C)(=O)=O)c1 ZINC000260826501 570159338 /nfs/dbraw/zinc/15/93/38/570159338.db2.gz BVWRZWUEZGQIJO-OAQYLSRUSA-N 0 0 476.642 5.331 40 0 JKABRN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000409181612 570159374 /nfs/dbraw/zinc/15/93/74/570159374.db2.gz DGCRKUFKIUHQPF-NFJKTXFASA-N 0 0 494.772 5.252 40 0 JKABRN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 ZINC000409181618 570159377 /nfs/dbraw/zinc/15/93/77/570159377.db2.gz DGCRKUFKIUHQPF-ZKKFKWFVSA-N 0 0 494.772 5.252 40 0 JKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000409181474 570159381 /nfs/dbraw/zinc/15/93/81/570159381.db2.gz BFSMFMGLIWFARL-LZYBPNLTSA-N 0 0 483.033 6.399 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccc(Cl)cc3)c3ccccc3)cc2)cc1 ZINC000409181439 570159393 /nfs/dbraw/zinc/15/93/93/570159393.db2.gz AEJLSHGZKVQGOA-HHHXNRCGSA-N 0 0 483.951 6.682 40 0 JKABRN COc1ccc(C(=O)[C@@H](OC(=O)c2cc(-c3cccs3)nc3ccccc32)c2ccccc2)cc1 ZINC000409181602 570159397 /nfs/dbraw/zinc/15/93/97/570159397.db2.gz DDHOECVAHHIUOH-NDEPHWFRSA-N 0 0 479.557 6.753 40 0 JKABRN Cc1cccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc2)c1 ZINC000409181464 570159416 /nfs/dbraw/zinc/15/94/16/570159416.db2.gz AYGXVYCJLGAUES-MFKUBSTISA-N 0 0 486.593 5.866 40 0 JKABRN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000409181609 570159443 /nfs/dbraw/zinc/15/94/43/570159443.db2.gz DGCRKUFKIUHQPF-LQDNNDEMSA-N 0 0 494.772 5.252 40 0 JKABRN CCc1ccc(C(=O)COC(=O)c2ccc(C)c(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)cc1 ZINC000409181701 570159499 /nfs/dbraw/zinc/15/94/99/570159499.db2.gz GFFOWILRPVEFOE-UHFFFAOYSA-N 0 0 496.346 5.705 40 0 JKABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000409181668 570159552 /nfs/dbraw/zinc/15/95/52/570159552.db2.gz DPQCAAWSRUHMQH-FYJGNVAPSA-N 0 0 466.946 5.837 40 0 JKABRN COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409181975 570159578 /nfs/dbraw/zinc/15/95/78/570159578.db2.gz HEZULQLWRHHREN-UHFFFAOYSA-N 0 0 467.190 6.956 40 0 JKABRN Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc(I)c2)c2ccccc2)cc1 ZINC000409181922 570159579 /nfs/dbraw/zinc/15/95/79/570159579.db2.gz GRGOSTOFRSKVGF-NRFANRHFSA-N 0 0 456.279 5.381 40 0 JKABRN Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1Cl ZINC000409182031 570159589 /nfs/dbraw/zinc/15/95/89/570159589.db2.gz HRIOQXGGKYNZCO-RUZDIDTESA-N 0 0 470.352 6.188 40 0 JKABRN Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccc(C)cc3)c3ccccc3)c2)cc1 ZINC000409181949 570159601 /nfs/dbraw/zinc/15/96/01/570159601.db2.gz GZWJTLAIDMMBSW-MUUNZHRXSA-N 0 0 463.533 6.337 40 0 JKABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(=O)(=O)c1ccccc1 ZINC000260832463 570159618 /nfs/dbraw/zinc/15/96/18/570159618.db2.gz JSKMTPZWYIUOFY-OAQYLSRUSA-N 0 0 492.641 5.037 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 ZINC000260832455 570159675 /nfs/dbraw/zinc/15/96/75/570159675.db2.gz JQMNYGFCFVHCGG-OAQYLSRUSA-N 0 0 492.641 5.037 40 0 JKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000409182018 570159660 /nfs/dbraw/zinc/15/96/60/570159660.db2.gz HWHULJDMHXGTSZ-SSEXGKCCSA-N 0 0 462.593 7.148 40 0 JKABRN C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000260833555 570159692 /nfs/dbraw/zinc/15/96/92/570159692.db2.gz YXKCMFRDRYPECB-GJZGRUSLSA-N 0 0 482.249 5.946 40 0 JKABRN CCc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccccc2)cc1 ZINC000260836463 570159739 /nfs/dbraw/zinc/15/97/39/570159739.db2.gz PUSBHRCGUVOUQO-OAQYLSRUSA-N 0 0 476.642 5.201 40 0 JKABRN Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(COc3cccc(C)c3)cc2)c2ccccc2)cc1 ZINC000409182334 570159766 /nfs/dbraw/zinc/15/97/66/570159766.db2.gz KBHZNOLAVLRMKU-GDLZYMKVSA-N 0 0 450.534 6.663 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c2cc(C)cc(C)c2)cc1 ZINC000260834567 570159787 /nfs/dbraw/zinc/15/97/87/570159787.db2.gz NAUVRCJPFMTZEE-HSZRJFAPSA-N 0 0 490.669 5.563 40 0 JKABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)N2NC=NC2=N1 ZINC000409182494 570159821 /nfs/dbraw/zinc/15/98/21/570159821.db2.gz LPLKFLTXSWJGEO-DEOSSOPVSA-N 0 0 496.995 5.194 40 0 JKABRN Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)c2)cc1 ZINC000409182581 570159893 /nfs/dbraw/zinc/15/98/93/570159893.db2.gz MZYYZLXJKYEGLU-HHHXNRCGSA-N 0 0 483.951 6.682 40 0 JKABRN CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c2ccccc21 ZINC000409182706 570160002 /nfs/dbraw/zinc/16/00/02/570160002.db2.gz NYZQAKAZANNWIZ-JMIUGGIZSA-N 0 0 453.951 5.298 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c2ccccc2Cl)cc1 ZINC000260840493 570160028 /nfs/dbraw/zinc/16/00/28/570160028.db2.gz VNZVABYMXAVKJJ-HXUWFJFHSA-N 0 0 497.060 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CC(C)[C@@H](CO)Nc1nc(Nc2c(F)ccc(F)c2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328963492 570179578 /nfs/dbraw/zinc/17/95/78/570179578.db2.gz BOZPLMPIHWTICD-QGZVFWFLSA-N 0 0 486.416 5.632 40 0 JKABRN FC(F)(F)Oc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)c1 ZINC000328962935 570179579 /nfs/dbraw/zinc/17/95/79/570179579.db2.gz BKYNZXUIBKGIGZ-UHFFFAOYSA-N 0 0 470.373 5.103 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000328966919 570179817 /nfs/dbraw/zinc/17/98/17/570179817.db2.gz COSOLRQBIBFPJY-SFHVURJKSA-N 0 0 450.892 5.988 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000409236361 570179899 /nfs/dbraw/zinc/17/98/99/570179899.db2.gz FGXVMCICIHEJQS-OEAKJJBVSA-N 0 0 476.960 5.719 40 0 JKABRN O=C1N/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409236345 570179926 /nfs/dbraw/zinc/17/99/26/570179926.db2.gz FGPDBLHTUSHVSO-OEAKJJBVSA-N 0 0 459.908 5.575 40 0 JKABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1OC 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CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329039761 570182799 /nfs/dbraw/zinc/18/27/99/570182799.db2.gz RZUYORNYZWEMOJ-GFCCVEGCSA-N 0 0 466.305 5.118 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000409243107 570182873 /nfs/dbraw/zinc/18/28/73/570182873.db2.gz YPLDPMFJTWITQZ-INIZCTEOSA-N 0 0 477.413 5.604 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cc(Cl)ccc3Cl)nc(NC3CCCCC3)n2)c1 ZINC000329046474 570182931 /nfs/dbraw/zinc/18/29/31/570182931.db2.gz UAXXTMQMCXOLRL-UHFFFAOYSA-N 0 0 497.348 6.681 40 0 JKABRN CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)C1=O ZINC000409243379 570182964 /nfs/dbraw/zinc/18/29/64/570182964.db2.gz YCQAMNIXBPSDMY-WOJGMQOQSA-N 0 0 493.354 5.052 40 0 JKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)C1=O ZINC000409243374 570182998 /nfs/dbraw/zinc/18/29/98/570182998.db2.gz YCEGSLVUCRHJJA-DEDYPNTBSA-N 0 0 476.392 5.873 40 0 JKABRN OCCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329048493 570183021 /nfs/dbraw/zinc/18/30/21/570183021.db2.gz ULGGADBCQJJTAQ-UHFFFAOYSA-N 0 0 472.389 5.599 40 0 JKABRN CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329047857 570183030 /nfs/dbraw/zinc/18/30/30/570183030.db2.gz UHUMHDKQUDSPHV-HXUWFJFHSA-N 0 0 480.918 5.737 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C1=O ZINC000409243531 570183115 /nfs/dbraw/zinc/18/31/15/570183115.db2.gz SDDVURQWDUVCRO-CAOOACKPSA-N 0 0 474.171 6.182 40 0 JKABRN Cc1c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409243693 570183118 /nfs/dbraw/zinc/18/31/18/570183118.db2.gz XQJLUTCDWLUHLG-MFKUBSTISA-N 0 0 499.567 5.812 40 0 JKABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(Nc3ccccc3I)n2)cc1 ZINC000329055412 570183126 /nfs/dbraw/zinc/18/31/26/570183126.db2.gz VNVPAHXMKHZECS-UHFFFAOYSA-N 0 0 475.639 5.586 40 0 JKABRN CCNc1nc(Nc2cccc(Br)c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329053891 570183127 /nfs/dbraw/zinc/18/31/27/570183127.db2.gz VHJBNKLZNRSXQR-UHFFFAOYSA-N 0 0 467.289 5.132 40 0 JKABRN CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329053312 570183132 /nfs/dbraw/zinc/18/31/32/570183132.db2.gz VFPNYLWNIGBZLR-UHFFFAOYSA-N 0 0 474.430 5.673 40 0 JKABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cc1C(F)(F)F ZINC000329055402 570183140 /nfs/dbraw/zinc/18/31/40/570183140.db2.gz VNUWMWIVWGGWDP-UHFFFAOYSA-N 0 0 484.400 5.231 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(=NNc3ccc(Cl)cc3Cl)[nH]c(NC3CCCC3)n2)c1 ZINC000329052677 570183153 /nfs/dbraw/zinc/18/31/53/570183153.db2.gz VEGKKEQRALCBRW-UHFFFAOYSA-N 0 0 498.336 7.143 40 0 JKABRN Fc1cccc(-c2nc(Cl)cc(Nc3ccc(I)cc3Cl)n2)c1 ZINC000329054650 570183166 /nfs/dbraw/zinc/18/31/66/570183166.db2.gz VKDWIXLJGIQRFI-UHFFFAOYSA-N 0 0 460.077 5.938 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(=NNc3ccc(Cl)cc3Cl)[nH]c(NC3CC3)n2)c1 ZINC000329051944 570183187 /nfs/dbraw/zinc/18/31/87/570183187.db2.gz VABUBDWRALOLPA-UHFFFAOYSA-N 0 0 470.282 6.362 40 0 JKABRN Cc1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329056703 570183261 /nfs/dbraw/zinc/18/32/61/570183261.db2.gz VTPLYYGPNOZMHV-UHFFFAOYSA-N 0 0 476.930 6.336 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000329057745 570183307 /nfs/dbraw/zinc/18/33/07/570183307.db2.gz VXRJXFUBKBUKKS-UHFFFAOYSA-N 0 0 462.903 5.946 40 0 JKABRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cccc1C(F)(F)F ZINC000329062902 570183414 /nfs/dbraw/zinc/18/34/14/570183414.db2.gz XAISWQZYNFWBML-UHFFFAOYSA-N 0 0 468.401 5.531 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)n1 ZINC000329063849 570183423 /nfs/dbraw/zinc/18/34/23/570183423.db2.gz XFRWXEONISWQJY-CYBMUJFWSA-N 0 0 465.317 5.723 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000409244404 570183449 /nfs/dbraw/zinc/18/34/49/570183449.db2.gz CCFXIRWXEGCBQP-OEAKJJBVSA-N 0 0 476.960 5.719 40 0 JKABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(Nc3ccc(Cl)cc3Br)n2)cc1 ZINC000329060337 570183464 /nfs/dbraw/zinc/18/34/64/570183464.db2.gz WMFAGGPBWSNDQD-UHFFFAOYSA-N 0 0 463.084 6.397 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(OCC)c(OCc3ccccc3Cl)cc2Br)C1=O ZINC000409244454 570183505 /nfs/dbraw/zinc/18/35/05/570183505.db2.gz CYSNOJISQMYAGN-VCHYOVAHSA-N 0 0 493.785 5.383 40 0 JKABRN O=C1S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409244391 570183512 /nfs/dbraw/zinc/18/35/12/570183512.db2.gz BVWQWLRXAVJGTL-WOJGMQOQSA-N 0 0 467.959 6.197 40 0 JKABRN Cc1cc(Br)cc(C)c1Nc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000329065322 570183540 /nfs/dbraw/zinc/18/35/40/570183540.db2.gz XPUCUBXFVKDZNS-UHFFFAOYSA-N 0 0 456.693 6.361 40 0 JKABRN CC(C)Nc1nc(Nc2c(Cl)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329064697 570183603 /nfs/dbraw/zinc/18/36/03/570183603.db2.gz XMDJJGFGPPFHEO-UHFFFAOYSA-N 0 0 457.283 5.757 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409244622 570183631 /nfs/dbraw/zinc/18/36/31/570183631.db2.gz GJZSRDVFVSICOA-YDZHTSKRSA-N 0 0 494.950 5.858 40 0 JKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329067352 570183690 /nfs/dbraw/zinc/18/36/90/570183690.db2.gz YIEBITNENHHAFT-LJQANCHMSA-N 0 0 498.452 5.816 40 0 JKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)c1 ZINC000409244978 570183707 /nfs/dbraw/zinc/18/37/07/570183707.db2.gz LOAOWRXXVLGRJU-OEAKJJBVSA-N 0 0 477.358 5.429 40 0 JKABRN FC(F)(F)Oc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1Cl ZINC000329068558 570183747 /nfs/dbraw/zinc/18/37/47/570183747.db2.gz YQEWLXABUAIYGM-UHFFFAOYSA-N 0 0 463.891 5.423 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069677 570183816 /nfs/dbraw/zinc/18/38/16/570183816.db2.gz YZFVVDUYYPENBS-KRWDZBQOSA-N 0 0 487.526 5.833 40 0 JKABRN CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329069659 570183821 /nfs/dbraw/zinc/18/38/21/570183821.db2.gz YYZPLBZCNSEVQR-UHFFFAOYSA-N 0 0 462.903 6.458 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(NCc3ccccc3Cl)nc(NC3CCCC3)n2)c1 ZINC000329070857 570183834 /nfs/dbraw/zinc/18/38/34/570183834.db2.gz ZKJLGEIKZMPSPQ-UHFFFAOYSA-N 0 0 462.903 5.506 40 0 JKABRN CC(C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069087 570183848 /nfs/dbraw/zinc/18/38/48/570183848.db2.gz YURNHNBSEIZNEJ-UHFFFAOYSA-N 0 0 457.283 5.757 40 0 JKABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(Nc3ccc(Br)c(Cl)c3)n2)cc1 ZINC000329070309 570183865 /nfs/dbraw/zinc/18/38/65/570183865.db2.gz ZGARACARRUXDQT-UHFFFAOYSA-N 0 0 463.084 6.397 40 0 JKABRN Clc1cccc(Nc2nc(C3CC3)cc(N3CCc4cc(Br)ccc4C3)n2)c1 ZINC000329070194 570183911 /nfs/dbraw/zinc/18/39/11/570183911.db2.gz ZEPXJDAPBDLKIR-UHFFFAOYSA-N 0 0 455.787 6.076 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329070516 570183912 /nfs/dbraw/zinc/18/39/12/570183912.db2.gz ZHBRXTZQSMBOCO-LBPRGKRZSA-N 0 0 455.406 5.374 40 0 JKABRN CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(I)cc2)C1=O ZINC000409246685 570184378 /nfs/dbraw/zinc/18/43/78/570184378.db2.gz AHUUWANWMLJDGL-LDADJPATSA-N 0 0 479.339 5.317 40 0 JKABRN Cc1ccc(Cn2cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c3ccccc32)cc1 ZINC000409246757 570184532 /nfs/dbraw/zinc/18/45/32/570184532.db2.gz AZIUJJZOHFJUSF-DHRITJCHSA-N 0 0 499.567 5.812 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000409246895 570184543 /nfs/dbraw/zinc/18/45/43/570184543.db2.gz KSUBEGCNFKBFQC-XDHOZWIPSA-N 0 0 482.385 5.654 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409247331 570184694 /nfs/dbraw/zinc/18/46/94/570184694.db2.gz MWURRUODNVNLPS-WSDLNYQXSA-N 0 0 480.923 5.468 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1Sc1ccccc1 ZINC000409247332 570184714 /nfs/dbraw/zinc/18/47/14/570184714.db2.gz MWXUZFCEWZTTTN-UHFFFAOYSA-N 0 0 494.682 6.020 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000409248005 570184964 /nfs/dbraw/zinc/18/49/64/570184964.db2.gz JHQAJZJLFVCAIQ-XDHOZWIPSA-N 0 0 492.956 5.342 40 0 JKABRN O=C1NC(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 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0 0 462.930 5.239 40 0 JKABRN CC(C)CCNC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409314028 570199717 /nfs/dbraw/zinc/19/97/17/570199717.db2.gz DRPVXIVAYCHNNF-UHFFFAOYSA-N 0 0 477.841 5.000 40 0 JKABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000409313841 570199731 /nfs/dbraw/zinc/19/97/31/570199731.db2.gz DHLAQRWLQUAFOK-DEOSSOPVSA-N 0 0 480.973 5.153 40 0 JKABRN COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccc(F)cc1 ZINC000408559484 570199747 /nfs/dbraw/zinc/19/97/47/570199747.db2.gz ZYBXJVPSJYFSLD-UHFFFAOYSA-N 0 0 450.735 6.441 40 0 JKABRN COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)cc3)cc2Br)cc1 ZINC000408559440 570199766 /nfs/dbraw/zinc/19/97/66/570199766.db2.gz ZSWNABNWGJLYGZ-UHFFFAOYSA-N 0 0 455.352 5.396 40 0 JKABRN CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1OC ZINC000408559443 570199798 /nfs/dbraw/zinc/19/97/98/570199798.db2.gz ZTTWPQMWLROCBQ-UHFFFAOYSA-N 0 0 454.954 5.685 40 0 JKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3OC)c(OCC)c2)cc1 ZINC000408559474 570199802 /nfs/dbraw/zinc/19/98/02/570199802.db2.gz ZXJQGYAILOIGMM-UHFFFAOYSA-N 0 0 450.535 5.122 40 0 JKABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000408559487 570199809 /nfs/dbraw/zinc/19/98/09/570199809.db2.gz XIKCPIYSBORFAL-UHFFFAOYSA-N 0 0 479.042 5.210 40 0 JKABRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408559477 570199811 /nfs/dbraw/zinc/19/98/11/570199811.db2.gz ZXNQDSVNFYKRIC-HSZRJFAPSA-N 0 0 460.382 6.360 40 0 JKABRN O=C1CS[C@@H](c2c(OCc3ccccc3F)ccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000408559444 570199813 /nfs/dbraw/zinc/19/98/13/570199813.db2.gz VNTITYSTYYIKNO-SANMLTNESA-N 0 0 463.961 6.990 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559445 570199820 /nfs/dbraw/zinc/19/98/20/570199820.db2.gz XDILDBWVOGSLQQ-UHFFFAOYSA-N 0 0 479.385 5.754 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000409314603 570199846 /nfs/dbraw/zinc/19/98/46/570199846.db2.gz LWCFPXXYMCZYLF-UHFFFAOYSA-N 0 0 483.804 5.865 40 0 JKABRN CCCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(Br)cc1 ZINC000408559626 570199885 /nfs/dbraw/zinc/19/98/85/570199885.db2.gz AHLFOIBPQFPKGJ-LVWGJNHUSA-N 0 0 493.854 6.355 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)c2ccccc2C)cc1 ZINC000409314644 570199911 /nfs/dbraw/zinc/19/99/11/570199911.db2.gz GNYYRTPPAFWEQJ-UHFFFAOYSA-N 0 0 491.382 5.039 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccccc1 ZINC000408559796 570199959 /nfs/dbraw/zinc/19/99/59/570199959.db2.gz YYEPDJYZVDDQNV-UHFFFAOYSA-N 0 0 488.565 5.327 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559722 570199970 /nfs/dbraw/zinc/19/99/70/570199970.db2.gz XWQYRDWGDMVKIZ-UHFFFAOYSA-N 0 0 499.803 6.099 40 0 JKABRN Fc1ccccc1COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br ZINC000408559817 570199976 /nfs/dbraw/zinc/19/99/76/570199976.db2.gz WRCZVUQIGAJUKC-UHFFFAOYSA-N 0 0 499.605 7.195 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559739 570199992 /nfs/dbraw/zinc/19/99/92/570199992.db2.gz YHMVVRVZTRYZFG-UHFFFAOYSA-N 0 0 458.967 5.409 40 0 JKABRN Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O ZINC000409315327 570200121 /nfs/dbraw/zinc/20/01/21/570200121.db2.gz VARKAYMZOWBMOR-UHFFFAOYSA-N 0 0 462.493 5.232 40 0 JKABRN CCCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408560111 570200193 /nfs/dbraw/zinc/20/01/93/570200193.db2.gz BZQHEIJLJIYWRQ-FLFQWRMESA-N 0 0 463.828 6.346 40 0 JKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CCC)c(-c3ccc(Cl)cc3)n2CC)cc1 ZINC000408560165 570200199 /nfs/dbraw/zinc/20/01/99/570200199.db2.gz CIDKNUWZATZGGF-RFBIWTDZSA-N 0 0 457.039 6.762 40 0 JKABRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc21 ZINC000408560255 570200376 /nfs/dbraw/zinc/20/03/76/570200376.db2.gz YDFODWHISDRIPJ-NDEPHWFRSA-N 0 0 490.024 7.250 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 ZINC000408560491 570200466 /nfs/dbraw/zinc/20/04/66/570200466.db2.gz PGVLCUPFIZBOQG-UHFFFAOYSA-N 0 0 464.465 5.157 40 0 JKABRN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408560550 570200495 /nfs/dbraw/zinc/20/04/95/570200495.db2.gz KIEXKHCBZKISKN-UHFFFAOYSA-N 0 0 457.386 5.597 40 0 JKABRN O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1Cl ZINC000408560419 570200501 /nfs/dbraw/zinc/20/05/01/570200501.db2.gz CPMZZECWQMUQBG-UHFFFAOYSA-N 0 0 453.709 5.187 40 0 JKABRN CCCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408560494 570200505 /nfs/dbraw/zinc/20/05/05/570200505.db2.gz CXNLEQDYNXOMQW-BZZOAKBMSA-N 0 0 457.437 6.309 40 0 JKABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408560712 570200530 /nfs/dbraw/zinc/20/05/30/570200530.db2.gz NZAMZDSFKPMTPX-UHFFFAOYSA-N 0 0 471.413 6.080 40 0 JKABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000408560665 570200539 /nfs/dbraw/zinc/20/05/39/570200539.db2.gz MZGAXKOHUIMXIJ-UHFFFAOYSA-N 0 0 481.419 5.535 40 0 JKABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000409317485 570200593 /nfs/dbraw/zinc/20/05/93/570200593.db2.gz UJDJRPRAQHEEMU-KRWDZBQOSA-N 0 0 488.993 5.324 40 0 JKABRN CCCCc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)n1CC ZINC000408560682 570200594 /nfs/dbraw/zinc/20/05/94/570200594.db2.gz NKNKVCLFUBLRHP-UHFFFAOYSA-N 0 0 450.033 5.457 40 0 JKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CCC)c(-c3ccc(Cl)c(Cl)c3)n2CC)cc1 ZINC000408560843 570200689 /nfs/dbraw/zinc/20/06/89/570200689.db2.gz FGOKTQBPCGSBNS-FVDSYPCUSA-N 0 0 491.484 7.416 40 0 JKABRN Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1C ZINC000408561003 570200841 /nfs/dbraw/zinc/20/08/41/570200841.db2.gz UFYAXBVQHOLSNC-UHFFFAOYSA-N 0 0 495.446 5.669 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)c(C)c2)cc1 ZINC000408561267 570200922 /nfs/dbraw/zinc/20/09/22/570200922.db2.gz HILZVUPMXDVNFQ-UHFFFAOYSA-N 0 0 466.603 5.554 40 0 JKABRN CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(Br)cc1 ZINC000408561325 570200940 /nfs/dbraw/zinc/20/09/40/570200940.db2.gz HTUJIZUHCAQZQC-FLFQWRMESA-N 0 0 479.827 5.965 40 0 JKABRN CCCc1s/c(=N\C(=O)c2ccccc2I)n(CC)c1-c1ccccc1 ZINC000408561301 570200962 /nfs/dbraw/zinc/20/09/62/570200962.db2.gz HMLCZDXBFGFPBZ-LNVKXUELSA-N 0 0 476.383 5.535 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1NC(=O)c1ccccc1C ZINC000408561437 570201024 /nfs/dbraw/zinc/20/10/24/570201024.db2.gz SLJKLSJZNPDIGR-UHFFFAOYSA-N 0 0 488.565 5.849 40 0 JKABRN O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)Nc1cc(Cl)cc(Cl)c1 ZINC000408561588 570201152 /nfs/dbraw/zinc/20/11/52/570201152.db2.gz KBNXWIMJBPFEOX-UHFFFAOYSA-N 0 0 488.154 5.841 40 0 JKABRN CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl ZINC000408561793 570201254 /nfs/dbraw/zinc/20/12/54/570201254.db2.gz LJOOHUNGHSVNFZ-UHFFFAOYSA-N 0 0 485.005 5.061 40 0 JKABRN CCC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409321732 570201257 /nfs/dbraw/zinc/20/12/57/570201257.db2.gz JBYOVHXYHTYGTK-CQSZACIVSA-N 0 0 477.841 5.143 40 0 JKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(OC)c1 ZINC000408561795 570201258 /nfs/dbraw/zinc/20/12/58/570201258.db2.gz LJYMMWJXTMGJBI-LNVKXUELSA-N 0 0 461.381 5.066 40 0 JKABRN O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)Nc1cccc(C(F)(F)F)c1 ZINC000408561771 570201274 /nfs/dbraw/zinc/20/12/74/570201274.db2.gz LBHLXPZEJFQHJT-UHFFFAOYSA-N 0 0 487.261 5.553 40 0 JKABRN CCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561759 570201281 /nfs/dbraw/zinc/20/12/81/570201281.db2.gz KYEKVDAZCJISHZ-LVWGJNHUSA-N 0 0 465.402 5.864 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccccc2)cc1C ZINC000409321953 570201314 /nfs/dbraw/zinc/20/13/14/570201314.db2.gz IFMKZWFYVLCBMX-UHFFFAOYSA-N 0 0 450.604 5.569 40 0 JKABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000408561830 570201407 /nfs/dbraw/zinc/20/14/07/570201407.db2.gz VTWJWWPBLSGVIG-OAQYLSRUSA-N 0 0 496.938 5.196 40 0 JKABRN CCCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(Br)cc1 ZINC000408561985 570201411 /nfs/dbraw/zinc/20/14/11/570201411.db2.gz MKIHETJVZNKQOP-GYHWCHFESA-N 0 0 459.409 5.701 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(F)cc1F ZINC000408562219 570201574 /nfs/dbraw/zinc/20/15/74/570201574.db2.gz YFSCMZVOMXIHLI-UHFFFAOYSA-N 0 0 487.311 5.090 40 0 JKABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000409323903 570201675 /nfs/dbraw/zinc/20/16/75/570201675.db2.gz PYXDQFVUMOWDST-UHFFFAOYSA-N 0 0 471.312 5.106 40 0 JKABRN CCc1sc(=NC(=O)C(c2ccccc2)c2ccccc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408562378 570201730 /nfs/dbraw/zinc/20/17/30/570201730.db2.gz PFIPTEAPVUHPDZ-OHYPFYFLSA-N 0 0 461.030 6.712 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408562418 570201752 /nfs/dbraw/zinc/20/17/52/570201752.db2.gz ZUEGBHZTAOIMFN-UHFFFAOYSA-N 0 0 477.007 5.514 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2ccc(C)c(C)c2)cc1 ZINC000409324324 570201795 /nfs/dbraw/zinc/20/17/95/570201795.db2.gz SBAXNFKNKKHNKX-UHFFFAOYSA-N 0 0 464.631 5.878 40 0 JKABRN C[C@@H](CCc1ccccc1)NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408562561 570201850 /nfs/dbraw/zinc/20/18/50/570201850.db2.gz BBNCNXBFFVNYCW-SFHVURJKSA-N 0 0 491.440 5.326 40 0 JKABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000408562639 570201869 /nfs/dbraw/zinc/20/18/69/570201869.db2.gz RCCPNKTWMWMLAN-UHFFFAOYSA-N 0 0 491.396 5.071 40 0 JKABRN Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2Cl)c1 ZINC000408562700 570201881 /nfs/dbraw/zinc/20/18/81/570201881.db2.gz RMBJBDRMUQIWIZ-UHFFFAOYSA-N 0 0 485.005 5.116 40 0 JKABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)cc1Cl ZINC000408562528 570201888 /nfs/dbraw/zinc/20/18/88/570201888.db2.gz QRRKFCJJOBKMFM-UHFFFAOYSA-N 0 0 483.348 5.259 40 0 JKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000408562517 570201899 /nfs/dbraw/zinc/20/18/99/570201899.db2.gz QMZHZTOBISEFDG-NMWGTECJSA-N 0 0 470.219 6.355 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCSc2ccc(C)cc2)cc1OC ZINC000408562846 570201958 /nfs/dbraw/zinc/20/19/58/570201958.db2.gz FUCKFSVBEKWBIG-UHFFFAOYSA-N 0 0 478.614 5.106 40 0 JKABRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccccc1I ZINC000408562967 570201988 /nfs/dbraw/zinc/20/19/88/570201988.db2.gz SQMJOKJYPMWBMD-QOCHGBHMSA-N 0 0 466.319 5.030 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F ZINC000408562771 570202001 /nfs/dbraw/zinc/20/20/01/570202001.db2.gz BKTAZZRBOSVBNI-QHCPKHFHSA-N 0 0 464.459 5.140 40 0 JKABRN CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408563194 570202069 /nfs/dbraw/zinc/20/20/69/570202069.db2.gz UVYDEOGHIWQKBF-QLYXXIJNSA-N 0 0 488.267 7.544 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(CSc4ccc(C)cc4)cc3)ccc21 ZINC000408563072 570202091 /nfs/dbraw/zinc/20/20/91/570202091.db2.gz IJJSSLUWBLIGRR-UHFFFAOYSA-N 0 0 450.607 7.667 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408563104 570202114 /nfs/dbraw/zinc/20/21/14/570202114.db2.gz IOVYGSMFFGXULR-UHFFFAOYSA-N 0 0 466.603 5.179 40 0 JKABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000408563352 570202208 /nfs/dbraw/zinc/20/22/08/570202208.db2.gz LUFPFYUIFKDUDX-UHFFFAOYSA-N 0 0 451.544 5.343 40 0 JKABRN CCc1sc(=NC(=O)C(c2ccccc2)c2ccccc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408563632 570202249 /nfs/dbraw/zinc/20/22/49/570202249.db2.gz VXPOIJATJSCONI-IKPAITLHSA-N 0 0 495.475 7.365 40 0 JKABRN COc1ccc(C2=NN(C(=O)COc3ccc(C4CCCCC4)cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000408563585 570202251 /nfs/dbraw/zinc/20/22/51/570202251.db2.gz OVNYRMPXEVLGCT-XMMPIXPASA-N 0 0 476.495 5.009 40 0 JKABRN COc1ccc(C2=NN(C(=O)COc3ccc(C4CCCCC4)cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000408563584 570202277 /nfs/dbraw/zinc/20/22/77/570202277.db2.gz OVNYRMPXEVLGCT-DEOSSOPVSA-N 0 0 476.495 5.009 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl ZINC000408563726 570202333 /nfs/dbraw/zinc/20/23/33/570202333.db2.gz WWYGKFOMLBWNEF-UHFFFAOYSA-N 0 0 487.021 5.268 40 0 JKABRN CCc1s/c(=N\C(=O)c2ccccc2I)n(CC)c1-c1ccc(Cl)cc1 ZINC000408563691 570202345 /nfs/dbraw/zinc/20/23/45/570202345.db2.gz WPNPLDTUWJOSGW-ATJXCDBQSA-N 0 0 496.801 5.798 40 0 JKABRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccccc1I ZINC000408564108 570202458 /nfs/dbraw/zinc/20/24/58/570202458.db2.gz XUSIJGLERPCXFX-LNVKXUELSA-N 0 0 476.383 5.507 40 0 JKABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000408564064 570202522 /nfs/dbraw/zinc/20/25/22/570202522.db2.gz XJUIFHXECPFQBB-UHFFFAOYSA-N 0 0 491.396 5.071 40 0 JKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc1 ZINC000409327243 570202523 /nfs/dbraw/zinc/20/25/23/570202523.db2.gz IOALQDMJVCQQMH-YQNUULROSA-N 0 0 489.391 5.301 40 0 JKABRN CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)cc1 ZINC000408564540 570202624 /nfs/dbraw/zinc/20/26/24/570202624.db2.gz ZHLUFANCGGWTPN-UHFFFAOYSA-N 0 0 476.957 5.421 40 0 JKABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408564553 570202697 /nfs/dbraw/zinc/20/26/97/570202697.db2.gz ZMQJXFVSQTWYIF-UHFFFAOYSA-N 0 0 491.396 5.071 40 0 JKABRN COC(=O)c1cc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1Cl ZINC000409328067 570202726 /nfs/dbraw/zinc/20/27/26/570202726.db2.gz YQBZXHFHSVCPRW-DEOSSOPVSA-N 0 0 480.973 5.153 40 0 JKABRN CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c2ccccc21 ZINC000409329120 570203304 /nfs/dbraw/zinc/20/33/04/570203304.db2.gz CUUGHMDWGWHFDY-RGVLZGJSSA-N 0 0 498.402 5.660 40 0 JKABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408565933 570203633 /nfs/dbraw/zinc/20/36/33/570203633.db2.gz MFUKXOPADRWLFQ-UHFFFAOYSA-N 0 0 451.419 5.882 40 0 JKABRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 ZINC000409331047 570204220 /nfs/dbraw/zinc/20/42/20/570204220.db2.gz CDDFJCZFZNVYLL-CPPMQADQSA-N 0 0 499.950 5.179 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000408571716 570204773 /nfs/dbraw/zinc/20/47/73/570204773.db2.gz DEKISMHTVYCAJL-NTCAYCPXSA-N 0 0 498.995 6.670 40 0 JKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000408571733 570204819 /nfs/dbraw/zinc/20/48/19/570204819.db2.gz DRUZHXQOZYJOMV-BMRADRMJSA-N 0 0 496.998 7.328 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(Cl)c3)cc3cc(Cl)ccc32)cc1C ZINC000408572987 570205041 /nfs/dbraw/zinc/20/50/41/570205041.db2.gz AZJZBTCXJKODNP-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000408573083 570205137 /nfs/dbraw/zinc/20/51/37/570205137.db2.gz LSGQIWVLDIMRAG-BMRADRMJSA-N 0 0 467.550 5.725 40 0 JKABRN Cc1ccccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000408573472 570205167 /nfs/dbraw/zinc/20/51/67/570205167.db2.gz BLJSTDRFFNSCRS-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN Cc1cccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)cc3)cc3cc(Cl)ccc32)c1C ZINC000408573476 570205189 /nfs/dbraw/zinc/20/51/89/570205189.db2.gz BLLVEAIQXPDQTB-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000408573713 570205213 /nfs/dbraw/zinc/20/52/13/570205213.db2.gz NNLZTQNZSPPVDI-ACCUITESSA-N 0 0 451.345 6.485 40 0 JKABRN COc1ccccc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000408573660 570205252 /nfs/dbraw/zinc/20/52/52/570205252.db2.gz CADOSMCUCUMANO-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408573954 570205287 /nfs/dbraw/zinc/20/52/87/570205287.db2.gz GCJPZXABGKKHBW-MHZLTWQESA-N 0 0 487.625 5.241 40 0 JKABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408573940 570205294 /nfs/dbraw/zinc/20/52/94/570205294.db2.gz FYLBRHXKGOSTIB-PMERELPUSA-N 0 0 478.617 5.980 40 0 JKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408573951 570205308 /nfs/dbraw/zinc/20/53/08/570205308.db2.gz GCJPZXABGKKHBW-HHHXNRCGSA-N 0 0 487.625 5.241 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1-c1nn2c(C)nnc2s1 ZINC000408573868 570205312 /nfs/dbraw/zinc/20/53/12/570205312.db2.gz PHCMATPVYHPXQV-BQYQJAHWSA-N 0 0 460.346 5.129 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSCc2cc(C)cc(C)c2)cc1OC ZINC000408574628 570205441 /nfs/dbraw/zinc/20/54/41/570205441.db2.gz JHNHWOKJYIGFEK-UHFFFAOYSA-N 0 0 492.641 5.165 40 0 JKABRN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408574791 570205491 /nfs/dbraw/zinc/20/54/91/570205491.db2.gz LEGVEDWUSZJXDF-RZMOPNSYSA-N 0 0 460.961 5.428 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000408574973 570205568 /nfs/dbraw/zinc/20/55/68/570205568.db2.gz NLHZNPPTLSRAJL-UHFFFAOYSA-N 0 0 460.574 5.226 40 0 JKABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)nn12 ZINC000408575203 570205606 /nfs/dbraw/zinc/20/56/06/570205606.db2.gz SOBLBYYOADXRQM-UHFFFAOYSA-N 0 0 470.341 5.980 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)c(Cl)c1 ZINC000408575484 570205661 /nfs/dbraw/zinc/20/56/61/570205661.db2.gz VCWIDJJEKIYQKF-GXDHUFHOSA-N 0 0 454.913 7.369 40 0 JKABRN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)CCC2 ZINC000408575410 570205681 /nfs/dbraw/zinc/20/56/81/570205681.db2.gz LAUGJEVIRNCLIT-UHFFFAOYSA-N 0 0 472.031 6.612 40 0 JKABRN O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000408575500 570205694 /nfs/dbraw/zinc/20/56/94/570205694.db2.gz VHKRPSINGFTNEU-BMRADRMJSA-N 0 0 479.561 5.959 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000408575621 570205725 /nfs/dbraw/zinc/20/57/25/570205725.db2.gz FDVNGIPXTVAELN-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408575720 570205742 /nfs/dbraw/zinc/20/57/42/570205742.db2.gz FOCUHIGCPULUGX-HSZRJFAPSA-N 0 0 457.382 6.020 40 0 JKABRN COc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408576266 570205832 /nfs/dbraw/zinc/20/58/32/570205832.db2.gz GCPNUOQBMSBBSC-UHFFFAOYSA-N 0 0 499.803 5.489 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408576270 570205857 /nfs/dbraw/zinc/20/58/57/570205857.db2.gz GCYXZSKDQSCQQR-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408576388 570205909 /nfs/dbraw/zinc/20/59/09/570205909.db2.gz TVSCUWVWISRHFQ-UHFFFAOYSA-N 0 0 453.007 6.367 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1c2nsnc2ccc1C ZINC000408576439 570205926 /nfs/dbraw/zinc/20/59/26/570205926.db2.gz XZQYYNZFLFESFW-UHFFFAOYSA-N 0 0 487.404 5.051 40 0 JKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000408576460 570205979 /nfs/dbraw/zinc/20/59/79/570205979.db2.gz VGFOOSMFCBCWBR-QFIPXVFZSA-N 0 0 460.599 5.448 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000408576883 570206023 /nfs/dbraw/zinc/20/60/23/570206023.db2.gz YJVHZDPYLLRERE-SDNWHVSQSA-N 0 0 483.524 6.420 40 0 JKABRN CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408577158 570206077 /nfs/dbraw/zinc/20/60/77/570206077.db2.gz IIVLUESDEIHSHL-KRWDZBQOSA-N 0 0 488.975 5.057 40 0 JKABRN O=C(Nc1ccccc1F)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Cl)ccc21 ZINC000408577582 570206131 /nfs/dbraw/zinc/20/61/31/570206131.db2.gz IQDVUODTABBKFD-UHFFFAOYSA-N 0 0 485.302 5.048 40 0 JKABRN C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000408578711 570206354 /nfs/dbraw/zinc/20/63/54/570206354.db2.gz LQKOJSMCTWBMRS-OAHLLOKOSA-N 0 0 479.385 5.579 40 0 JKABRN Cc1ccccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000408578777 570206397 /nfs/dbraw/zinc/20/63/97/570206397.db2.gz MDQOKHSWMMFOKX-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3C)cc3cc(Cl)ccc32)cc1Cl ZINC000408579442 570206448 /nfs/dbraw/zinc/20/64/48/570206448.db2.gz NLAQGIQJFCLERD-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Cl)ccc21 ZINC000408579145 570206482 /nfs/dbraw/zinc/20/64/82/570206482.db2.gz NAPLXXADZKXOAZ-UHFFFAOYSA-N 0 0 485.302 5.048 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2Cl)cc1 ZINC000408579724 570206500 /nfs/dbraw/zinc/20/65/00/570206500.db2.gz ONLCMBKCAXBTGG-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Cl)ccc32)c(C)c1 ZINC000408579809 570206525 /nfs/dbraw/zinc/20/65/25/570206525.db2.gz PEFBMFSNZUKHTI-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000408579753 570206528 /nfs/dbraw/zinc/20/65/28/570206528.db2.gz ORJPGTSCYOONCQ-UHFFFAOYSA-N 0 0 488.975 5.435 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2F)cc1 ZINC000408580416 570206559 /nfs/dbraw/zinc/20/65/59/570206559.db2.gz QOIXFJUEJONPFP-UHFFFAOYSA-N 0 0 467.349 5.275 40 0 JKABRN O=C(CSc1nc2ccccc2[nH]1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408580628 570206617 /nfs/dbraw/zinc/20/66/17/570206617.db2.gz DHIRATBNIYVGSG-UHFFFAOYSA-N 0 0 462.600 5.486 40 0 JKABRN CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000408580526 570206645 /nfs/dbraw/zinc/20/66/45/570206645.db2.gz RDZXXYBWOJBIEW-UHFFFAOYSA-N 0 0 488.975 5.435 40 0 JKABRN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1C ZINC000408580965 570206681 /nfs/dbraw/zinc/20/66/81/570206681.db2.gz SANJYZCEFHPECS-SFHVURJKSA-N 0 0 488.975 5.111 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408581198 570206688 /nfs/dbraw/zinc/20/66/88/570206688.db2.gz UYHXRVDHOHVCMP-UHFFFAOYSA-N 0 0 465.358 5.079 40 0 JKABRN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2Cl)c1C ZINC000408580905 570206700 /nfs/dbraw/zinc/20/67/00/570206700.db2.gz RUTZJIKRNLZRHS-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000408580914 570206701 /nfs/dbraw/zinc/20/67/01/570206701.db2.gz RVMQWGLIIOZJFQ-SFHVURJKSA-N 0 0 496.394 5.223 40 0 JKABRN Cc1cc(C)cc(NC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Cl)ccc32)c1 ZINC000408580878 570206703 /nfs/dbraw/zinc/20/67/03/570206703.db2.gz RTMLKNKRSPWAOW-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000408581837 570206845 /nfs/dbraw/zinc/20/68/45/570206845.db2.gz ARFFRZBTYLBBAU-UHFFFAOYSA-N 0 0 480.973 5.620 40 0 JKABRN O=C(CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1)Nc1ccc(F)cc1 ZINC000408582105 570206888 /nfs/dbraw/zinc/20/68/88/570206888.db2.gz LVZKEHGVNYSOSE-UHFFFAOYSA-N 0 0 486.288 5.795 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000408582148 570206891 /nfs/dbraw/zinc/20/68/91/570206891.db2.gz BPVYSGZWXCYDGG-UHFFFAOYSA-N 0 0 494.613 5.324 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000408582453 570206966 /nfs/dbraw/zinc/20/69/66/570206966.db2.gz WOQYOGOYSYLMMU-UHFFFAOYSA-N 0 0 483.804 5.865 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2F)cc1Cl ZINC000408582612 570207020 /nfs/dbraw/zinc/20/70/20/570207020.db2.gz XIFAXHAQJBFETL-UHFFFAOYSA-N 0 0 499.329 5.357 40 0 JKABRN Cc1ccc(C)c(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3Cl)cc3cc(Cl)ccc32)c1 ZINC000408582618 570207026 /nfs/dbraw/zinc/20/70/26/570207026.db2.gz XIOAKWJCNWZMKF-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cc(C)cc(C)c2)c(C)c1 ZINC000408582779 570207069 /nfs/dbraw/zinc/20/70/69/570207069.db2.gz XQAVBMRVCMBLCZ-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN O=C(Nc1cccc(F)c1)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408582765 570207086 /nfs/dbraw/zinc/20/70/86/570207086.db2.gz XMYKKCJJZYEPKF-UHFFFAOYSA-N 0 0 485.302 5.048 40 0 JKABRN Cc1cccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(Cl)c3C)cc3cc(Cl)ccc32)c1 ZINC000408583076 570207158 /nfs/dbraw/zinc/20/71/58/570207158.db2.gz YPWWUFGKUJUZBF-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN CCn1c(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nnc1-c1ccc(Cl)cc1Cl ZINC000408583040 570207165 /nfs/dbraw/zinc/20/71/65/570207165.db2.gz RGGHVWFPRKLDBC-UHFFFAOYSA-N 0 0 492.457 6.153 40 0 JKABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000408583163 570207198 /nfs/dbraw/zinc/20/71/98/570207198.db2.gz ZDURSGQXQMROGF-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Cl)ccc21 ZINC000408583106 570207245 /nfs/dbraw/zinc/20/72/45/570207245.db2.gz YXCWCMQJVQCGCM-UHFFFAOYSA-N 0 0 499.329 5.357 40 0 JKABRN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccc(Cl)cc2)c1C ZINC000408583477 570207263 /nfs/dbraw/zinc/20/72/63/570207263.db2.gz ZXGYEDQXMWJTLZ-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3Cl)cc3cc(Cl)ccc32)cc1C ZINC000408583480 570207264 /nfs/dbraw/zinc/20/72/64/570207264.db2.gz ZXUAQPYDNZLVJU-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000408583338 570207273 /nfs/dbraw/zinc/20/72/73/570207273.db2.gz HPGHKOPPVAUFHF-UHFFFAOYSA-N 0 0 498.648 5.046 40 0 JKABRN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)N1c2ccccc2Sc2ccccc21 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XXSVANIAKOZQOH-UHFFFAOYSA-N 0 0 487.021 5.049 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 ZINC000408585522 570207944 /nfs/dbraw/zinc/20/79/44/570207944.db2.gz ZBSSUMPRLLEPMH-UHFFFAOYSA-N 0 0 458.967 5.084 40 0 JKABRN O=C(Nc1cccc(Cl)c1Cl)c1cc(Br)ccc1OCc1ccccc1 ZINC000408585448 570207951 /nfs/dbraw/zinc/20/79/51/570207951.db2.gz DWAHQAWEOPHIDM-UHFFFAOYSA-N 0 0 451.147 6.587 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)Cc2ccc(Cl)cc2)cc1 ZINC000408585471 570207960 /nfs/dbraw/zinc/20/79/60/570207960.db2.gz FJJJUJWBEPPNGX-UHFFFAOYSA-N 0 0 485.049 5.910 40 0 JKABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1Cl ZINC000408585538 570207965 /nfs/dbraw/zinc/20/79/65/570207965.db2.gz ZHMZCQUSRSKABY-UHFFFAOYSA-N 0 0 479.042 5.210 40 0 JKABRN CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl ZINC000408585547 570207980 /nfs/dbraw/zinc/20/79/80/570207980.db2.gz ZKPKMVWBNQSSLJ-UHFFFAOYSA-N 0 0 472.994 5.338 40 0 JKABRN CCCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000408585818 570208027 /nfs/dbraw/zinc/20/80/27/570208027.db2.gz JAOWUONMNQOPQZ-UHFFFAOYSA-N 0 0 456.130 5.040 40 0 JKABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)NC1CCCCC1 ZINC000408586235 570208061 /nfs/dbraw/zinc/20/80/61/570208061.db2.gz ATZUSDWMVCNHNJ-CQSZACIVSA-N 0 0 471.406 5.010 40 0 JKABRN CCOc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408586220 570208068 /nfs/dbraw/zinc/20/80/68/570208068.db2.gz MNOMBOBTDILVQA-GOSISDBHSA-N 0 0 487.021 5.291 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)Cc2ccccc2)cc1C ZINC000408586226 570208088 /nfs/dbraw/zinc/20/80/88/570208088.db2.gz LZPQMIJBSZBOHT-UHFFFAOYSA-N 0 0 480.630 5.265 40 0 JKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408586471 570208156 /nfs/dbraw/zinc/20/81/56/570208156.db2.gz NCOBGIQCYANCHL-UHFFFAOYSA-N 0 0 450.254 6.299 40 0 JKABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)ccc1OCC ZINC000408586622 570208202 /nfs/dbraw/zinc/20/82/02/570208202.db2.gz PHLHCRSDUWWMAU-UHFFFAOYSA-N 0 0 481.574 5.582 40 0 JKABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)C(=O)NC1CCCCC1 ZINC000408586852 570208210 /nfs/dbraw/zinc/20/82/10/570208210.db2.gz CESJSSNBIHFVKR-CQSZACIVSA-N 0 0 471.406 5.010 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccccc1 ZINC000408586870 570208266 /nfs/dbraw/zinc/20/82/66/570208266.db2.gz COZMADORLIRCHO-UHFFFAOYSA-N 0 0 484.883 5.177 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1ccc(C)cc1 ZINC000408587128 570208284 /nfs/dbraw/zinc/20/82/84/570208284.db2.gz QOQPGUSHEKAZPO-UHFFFAOYSA-N 0 0 480.630 5.578 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2c(C)cccc2C(C)C)c(C)c1 ZINC000408587150 570208324 /nfs/dbraw/zinc/20/83/24/570208324.db2.gz REUTUOOFBPEXCZ-UHFFFAOYSA-N 0 0 492.685 5.916 40 0 JKABRN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000408587382 570208344 /nfs/dbraw/zinc/20/83/44/570208344.db2.gz BQTNTQZVWDJUAN-OAQYLSRUSA-N 0 0 477.413 5.139 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000408587728 570208372 /nfs/dbraw/zinc/20/83/72/570208372.db2.gz UCHZHRLVSWTMEJ-UHFFFAOYSA-N 0 0 464.631 5.299 40 0 JKABRN O=C(Nc1ccccc1Br)c1cc(Br)ccc1OCc1ccccc1 ZINC000408587698 570208377 /nfs/dbraw/zinc/20/83/77/570208377.db2.gz TVUHBVNPTLRJQI-UHFFFAOYSA-N 0 0 461.153 6.043 40 0 JKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408588252 570208487 /nfs/dbraw/zinc/20/84/87/570208487.db2.gz VGKNHQMJIQVFCQ-UHFFFAOYSA-N 0 0 495.598 6.696 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)ccc21 ZINC000408588081 570208494 /nfs/dbraw/zinc/20/84/94/570208494.db2.gz BZQLQFKLJULXPR-UHFFFAOYSA-N 0 0 477.630 5.463 40 0 JKABRN CCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408588220 570208511 /nfs/dbraw/zinc/20/85/11/570208511.db2.gz CYRTXXSYCPVXKA-OAQYLSRUSA-N 0 0 477.413 5.084 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)Nc1cccc2ccccc21 ZINC000408588543 570208551 /nfs/dbraw/zinc/20/85/51/570208551.db2.gz GQCIRKDLVCRXJG-UHFFFAOYSA-N 0 0 466.946 5.312 40 0 JKABRN C[C@H](Oc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)C(=O)NC1CCCCC1 ZINC000408589400 570208741 /nfs/dbraw/zinc/20/87/41/570208741.db2.gz HKKUBZHOSHPWMO-AWEZNQCLSA-N 0 0 471.406 5.010 40 0 JKABRN O=C(Nc1cccc(Cl)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408589767 570208867 /nfs/dbraw/zinc/20/88/67/570208867.db2.gz FLFLHBYDHFUPQL-IBGZPJMESA-N 0 0 483.804 5.175 40 0 JKABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408589926 570208903 /nfs/dbraw/zinc/20/89/03/570208903.db2.gz IHHJZSARDYNJFV-UHFFFAOYSA-N 0 0 458.967 5.029 40 0 JKABRN Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408590330 570209022 /nfs/dbraw/zinc/20/90/22/570209022.db2.gz GAGYHDQSASUGKJ-OAQYLSRUSA-N 0 0 477.413 5.139 40 0 JKABRN Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 ZINC000408590553 570209031 /nfs/dbraw/zinc/20/90/31/570209031.db2.gz JSGFWEOOECYVEZ-UHFFFAOYSA-N 0 0 458.967 5.084 40 0 JKABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cc1Cl ZINC000408590703 570209069 /nfs/dbraw/zinc/20/90/69/570209069.db2.gz KLMYJKNRMWGVBK-UHFFFAOYSA-N 0 0 465.358 5.120 40 0 JKABRN CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408591050 570209145 /nfs/dbraw/zinc/20/91/45/570209145.db2.gz IAYFPCZMWCZDHD-UHFFFAOYSA-N 0 0 452.576 5.127 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(Cl)c2)cc1 ZINC000408591090 570209187 /nfs/dbraw/zinc/20/91/87/570209187.db2.gz IROKDHUCKCCGIE-UHFFFAOYSA-N 0 0 483.348 5.259 40 0 JKABRN Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408591079 570209216 /nfs/dbraw/zinc/20/92/16/570209216.db2.gz IHUQPNUVPRZYOH-OAQYLSRUSA-N 0 0 477.413 5.139 40 0 JKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)c(C(=O)NCC(C)C)c3)ccc21 ZINC000408591567 570209259 /nfs/dbraw/zinc/20/92/59/570209259.db2.gz JPEMWFUIPRKXLJ-UHFFFAOYSA-N 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CCc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(C)cc4Br)cc3n2)cc1 ZINC000020610221 195183230 /nfs/dbraw/zinc/18/32/30/195183230.db2.gz MZRFQIXVJXPVTQ-UHFFFAOYSA-N 0 0 479.378 5.380 40 0 JKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3n2)cc1 ZINC000020610143 195183324 /nfs/dbraw/zinc/18/33/24/195183324.db2.gz DLQFYZOOWZAVQM-UHFFFAOYSA-N 0 0 471.358 6.151 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)c4cc(Br)cc(C)c4OC)cc3n2)cc1 ZINC000020610257 195183347 /nfs/dbraw/zinc/18/33/47/195183347.db2.gz QCABZEHOPCHDQM-UHFFFAOYSA-N 0 0 481.350 5.151 40 0 JKABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(Cl)cc4Cl)cc3n2)cc1 ZINC000020610219 195183352 /nfs/dbraw/zinc/18/33/52/195183352.db2.gz HWRPBJYHJLIUIN-UHFFFAOYSA-N 0 0 455.345 5.616 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3n2)cc1 ZINC000020610490 195183641 /nfs/dbraw/zinc/18/36/41/195183641.db2.gz IHHGVOJTMUOYDF-UHFFFAOYSA-N 0 0 469.770 6.212 40 0 JKABRN COc1ccc(Br)cc1C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 ZINC000020610525 195183650 /nfs/dbraw/zinc/18/36/50/195183650.db2.gz WYIKFZJMGJSDNO-UHFFFAOYSA-N 0 0 465.351 5.567 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3n2)cc1Cl ZINC000020610741 195183760 /nfs/dbraw/zinc/18/37/60/195183760.db2.gz SIQANTOWQRJFJG-UHFFFAOYSA-N 0 0 477.735 5.650 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(Br)c4)cc3n2)cc1Cl ZINC000020610720 195183805 /nfs/dbraw/zinc/18/38/05/195183805.db2.gz KERGHBJLJAYPCU-UHFFFAOYSA-N 0 0 457.715 5.097 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3n2)cc1 ZINC000020610630 195183812 /nfs/dbraw/zinc/18/38/12/195183812.db2.gz FHHXIUFMPRPOHV-UHFFFAOYSA-N 0 0 474.923 6.849 40 0 JKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 ZINC000020610624 195183847 /nfs/dbraw/zinc/18/38/47/195183847.db2.gz BRJYZLRRVSALRW-UHFFFAOYSA-N 0 0 456.933 6.710 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3n2)cc1Cl ZINC000020610755 195183854 /nfs/dbraw/zinc/18/38/54/195183854.db2.gz UQAPXSKSDALENA-UHFFFAOYSA-N 0 0 484.943 5.914 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5cc4OC)cc3n2)cc1Cl ZINC000020610816 195183856 /nfs/dbraw/zinc/18/38/56/195183856.db2.gz XOMHKHJJXSUZRX-UHFFFAOYSA-N 0 0 458.905 5.497 40 0 JKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1 ZINC000020610851 195184177 /nfs/dbraw/zinc/18/41/77/195184177.db2.gz KHASOLOVMAMBQD-OAHLLOKOSA-N 0 0 450.926 5.512 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3Cl)o2)cc1Cl ZINC000020610913 195184184 /nfs/dbraw/zinc/18/41/84/195184184.db2.gz SLQIFKYNMKKUDU-UHFFFAOYSA-N 0 0 463.324 6.548 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)cc1Cl ZINC000020610881 195184259 /nfs/dbraw/zinc/18/42/59/195184259.db2.gz SOBHDVBOLIORPE-UHFFFAOYSA-N 0 0 457.317 5.062 40 0 JKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)cc1 ZINC000020610856 195184315 /nfs/dbraw/zinc/18/43/15/195184315.db2.gz IMILCSLPVSGPRM-OAHLLOKOSA-N 0 0 450.926 5.512 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(OC)cc4)cc3n2)c(C)c1 ZINC000020611083 195184475 /nfs/dbraw/zinc/18/44/75/195184475.db2.gz CPLXREQARNIXPN-XNTDXEJSSA-N 0 0 469.589 5.544 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)cc1 ZINC000020611025 195184555 /nfs/dbraw/zinc/18/45/55/195184555.db2.gz IDQHJJIEZUJQTI-UHFFFAOYSA-N 0 0 489.448 5.523 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(Cl)cc5)nc4cc3C)o2)cc1Cl ZINC000020611001 195184619 /nfs/dbraw/zinc/18/46/19/195184619.db2.gz QLXKVQCDQHDJFD-UHFFFAOYSA-N 0 0 477.351 6.856 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4F)cc3n2)c(C)c1 ZINC000020611097 195184632 /nfs/dbraw/zinc/18/46/32/195184632.db2.gz XDJAWZFGOLBNOJ-UHFFFAOYSA-N 0 0 461.541 5.040 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4Br)cc3n2)cc1 ZINC000020611257 195184858 /nfs/dbraw/zinc/18/48/58/195184858.db2.gz ZMROSPUVUNZJSR-UHFFFAOYSA-N 0 0 493.405 5.688 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3n2)cc1 ZINC000020611292 195184892 /nfs/dbraw/zinc/18/48/92/195184892.db2.gz XPTZPSKFLYPYHN-UHFFFAOYSA-N 0 0 493.350 6.557 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000020611286 195184931 /nfs/dbraw/zinc/18/49/31/195184931.db2.gz GRYUBQZRBSWIPF-UHFFFAOYSA-N 0 0 472.932 6.212 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(Cl)cc4Cl)cc3n2)cc1 ZINC000020611255 195184948 /nfs/dbraw/zinc/18/49/48/195184948.db2.gz AOMYPBRPPNDNPK-UHFFFAOYSA-N 0 0 469.372 5.924 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1 ZINC000020611248 195184955 /nfs/dbraw/zinc/18/49/55/195184955.db2.gz TXRLDIBYHLUJKI-UHFFFAOYSA-N 0 0 493.405 5.850 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000020611229 195184959 /nfs/dbraw/zinc/18/49/59/195184959.db2.gz JHDGMZXHUSEQMF-WYMLVPIESA-N 0 0 496.998 7.165 40 0 JKABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000020611412 195185232 /nfs/dbraw/zinc/18/52/32/195185232.db2.gz JPOLOHIHLJSHSC-UHFFFAOYSA-N 0 0 472.328 6.001 40 0 JKABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000020611383 195185288 /nfs/dbraw/zinc/18/52/88/195185288.db2.gz OYXCWYVDAXZRGH-UHFFFAOYSA-N 0 0 470.337 6.672 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CCOCC2)c(Br)c1 ZINC000020611635 195185503 /nfs/dbraw/zinc/18/55/03/195185503.db2.gz NNFDCTVSIZUECX-UHFFFAOYSA-N 0 0 473.411 5.351 40 0 JKABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(OCc2ccccc2)cc1 ZINC000020611584 195185558 /nfs/dbraw/zinc/18/55/58/195185558.db2.gz UMORLXWVYJKOSK-UHFFFAOYSA-N 0 0 467.363 5.117 40 0 JKABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000020611612 195185632 /nfs/dbraw/zinc/18/56/32/195185632.db2.gz KOCUWRWAJBHFPB-UHFFFAOYSA-N 0 0 461.743 5.451 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCOCC2)c(Br)c1 ZINC000020611603 195185694 /nfs/dbraw/zinc/18/56/94/195185694.db2.gz LNLGZYBRGPATJE-JXMROGBWSA-N 0 0 487.781 5.851 40 0 JKABRN Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc6ccccc65)nc4nc3C2)cc1 ZINC000020632407 195191068 /nfs/dbraw/zinc/19/10/68/195191068.db2.gz KBAAJJTWMOOQQQ-NRFANRHFSA-N 0 0 450.567 5.791 40 0 JKABRN O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 ZINC000020632617 195191431 /nfs/dbraw/zinc/19/14/31/195191431.db2.gz INJGUDDNTHDQIY-OAHLLOKOSA-N 0 0 455.370 5.636 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1ccc(Cl)cc1 ZINC000020633755 195191518 /nfs/dbraw/zinc/19/15/18/195191518.db2.gz NFHBNFSDUBNQBV-UHFFFAOYSA-N 0 0 459.859 5.587 40 0 JKABRN CCCCOc1ccc([C@@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)cc1OC ZINC000020633486 195191537 /nfs/dbraw/zinc/19/15/37/195191537.db2.gz BYTPORTVRPAZJO-RUZDIDTESA-N 0 0 463.578 5.856 40 0 JKABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000020634764 195191540 /nfs/dbraw/zinc/19/15/40/195191540.db2.gz QMKFSUXIMKEVHY-XMMPIXPASA-N 0 0 470.525 5.308 40 0 JKABRN Nc1nc(N2CCCCC2)nc2nc3c(c(-c4cccc(Oc5ccccc5)c4)c12)C(=O)CCC3 ZINC000020673583 195199079 /nfs/dbraw/zinc/19/90/79/195199079.db2.gz AXVCLFWDALEEKR-UHFFFAOYSA-N 0 0 465.557 5.576 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675282 195200191 /nfs/dbraw/zinc/20/01/91/195200191.db2.gz IZKVHZRNHCVIBQ-WOJBJXKFSA-N 0 0 460.361 5.259 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(OCCC(C)C)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675170 195200210 /nfs/dbraw/zinc/20/02/10/195200210.db2.gz NEHHOVIWUVKHMN-JWQCQUIFSA-N 0 0 477.605 5.377 40 0 JKABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)OCC)C1=O ZINC000020675492 195200213 /nfs/dbraw/zinc/20/02/13/195200213.db2.gz YZTZMGTUGPFYEO-WOJBJXKFSA-N 0 0 460.361 5.259 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(SC)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675694 195200433 /nfs/dbraw/zinc/20/04/33/195200433.db2.gz ZQGGTJAAZMKLRP-YADHBBJMSA-N 0 0 451.592 5.064 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2cccc(Oc3ccccc3)c2)[C@H](C(=O)OCC)C1=O ZINC000020675829 195200461 /nfs/dbraw/zinc/20/04/61/195200461.db2.gz RMEQXVNEJWKDDZ-SVBPBHIXSA-N 0 0 497.595 6.134 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(OCCC)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675856 195200476 /nfs/dbraw/zinc/20/04/76/195200476.db2.gz YSEISVKWHOMFSO-RPWUZVMVSA-N 0 0 463.578 5.131 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675776 195200514 /nfs/dbraw/zinc/20/05/14/195200514.db2.gz PNZFXMJQQPPIGR-NHCUHLMSSA-N 0 0 484.394 5.104 40 0 JKABRN CCCOc1cccc([C@H]2C(C(=O)OCC)C(c3ccccc3)=Nc3nc4ccccc4n32)c1 ZINC000020672385 195198668 /nfs/dbraw/zinc/19/86/68/195198668.db2.gz RXIXLPLLDSGRDO-SANMLTNESA-N 0 0 453.542 5.814 40 0 JKABRN CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc6ccccc65)nc4nc3C2)cc1 ZINC000020671736 195198682 /nfs/dbraw/zinc/19/86/82/195198682.db2.gz SRBFRYKJAIQMIY-HSZRJFAPSA-N 0 0 478.621 6.606 40 0 JKABRN CCCOc1ccc([C@H]2C(C(=O)OCC)C(c3ccccc3)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672287 195198713 /nfs/dbraw/zinc/19/87/13/195198713.db2.gz DEICAPLQSAWEQT-NDEPHWFRSA-N 0 0 497.595 6.213 40 0 JKABRN CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc6ccccc65)nc4nc3C2)cc1 ZINC000020671733 195198719 /nfs/dbraw/zinc/19/87/19/195198719.db2.gz SRBFRYKJAIQMIY-QHCPKHFHSA-N 0 0 478.621 6.606 40 0 JKABRN CCOc1ccccc1NC(=O)c1nnc2c(-c3cccc4ccccc43)c(CC)nn2c1C ZINC000020672776 195198735 /nfs/dbraw/zinc/19/87/35/195198735.db2.gz UBGUUDRLJGKUMT-UHFFFAOYSA-N 0 0 451.530 5.466 40 0 JKABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(Br)cc5)nc4nc3C2)cc1 ZINC000020671649 195198765 /nfs/dbraw/zinc/19/87/65/195198765.db2.gz YFBTXPOJCUNSLY-INIZCTEOSA-N 0 0 495.402 5.100 40 0 JKABRN CCCCOc1ccc([C@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672349 195198807 /nfs/dbraw/zinc/19/88/07/195198807.db2.gz SNXWINBYRKRFHR-SANMLTNESA-N 0 0 477.605 6.246 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)OCC)C1=O ZINC000020802003 195227366 /nfs/dbraw/zinc/22/73/66/195227366.db2.gz WXDXHHHJTHBFCC-RTWAWAEBSA-N 0 0 474.388 5.649 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)OCC)C1=O ZINC000020801997 195227436 /nfs/dbraw/zinc/22/74/36/195227436.db2.gz WXDXHHHJTHBFCC-NHCUHLMSSA-N 0 0 474.388 5.649 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000020802832 195227665 /nfs/dbraw/zinc/22/76/65/195227665.db2.gz YJDYXFPSBKSKSB-RRPNLBNLSA-N 0 0 497.595 5.990 40 0 JKABRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 ZINC000020765698 195221096 /nfs/dbraw/zinc/22/10/96/195221096.db2.gz WXSFHWAHNWGXJZ-UHFFFAOYSA-N 0 0 461.370 5.387 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cc(Cl)ccc4C)ccc32)cc1 ZINC000020766061 195221262 /nfs/dbraw/zinc/22/12/62/195221262.db2.gz GDKPWOOFBSGDOZ-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)ccc32)cc1 ZINC000020766065 195221279 /nfs/dbraw/zinc/22/12/79/195221279.db2.gz JZYAAHSUAFFVEH-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Cl)c(Cl)c4)ccc32)cc1 ZINC000020766077 195221412 /nfs/dbraw/zinc/22/14/12/195221412.db2.gz VFXQEWPYWZKYCQ-UHFFFAOYSA-N 0 0 475.397 5.696 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cccc(Br)c4)ccc32)cc1 ZINC000020766046 195221446 /nfs/dbraw/zinc/22/14/46/195221446.db2.gz UPEMKOGOALXUNN-UHFFFAOYSA-N 0 0 485.403 5.151 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1C ZINC000020766374 195221607 /nfs/dbraw/zinc/22/16/07/195221607.db2.gz FTVRHGXNEHRDCR-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766443 195221692 /nfs/dbraw/zinc/22/16/92/195221692.db2.gz ZHHGKRAYIUGTQU-UHFFFAOYSA-N 0 0 475.397 5.696 40 0 JKABRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766407 195221696 /nfs/dbraw/zinc/22/16/96/195221696.db2.gz LTLHQQDBGYIVKU-UHFFFAOYSA-N 0 0 469.006 5.857 40 0 JKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766386 195221782 /nfs/dbraw/zinc/22/17/82/195221782.db2.gz DTBRPUGEYOTFBU-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766623 195222030 /nfs/dbraw/zinc/22/20/30/195222030.db2.gz FXORYQDUGCHUKF-LJQANCHMSA-N 0 0 483.033 5.233 40 0 JKABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766599 195222237 /nfs/dbraw/zinc/22/22/37/195222237.db2.gz JFKFHHJECSZFCJ-UHFFFAOYSA-N 0 0 483.033 6.076 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000020767130 195222435 /nfs/dbraw/zinc/22/24/35/195222435.db2.gz XALKKJVUEAOFAN-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767185 195222465 /nfs/dbraw/zinc/22/24/65/195222465.db2.gz MDRJDQUQVAWBHC-UHFFFAOYSA-N 0 0 475.397 5.696 40 0 JKABRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21 ZINC000020767059 195222474 /nfs/dbraw/zinc/22/24/74/195222474.db2.gz ABQPOFMABXMCLX-UHFFFAOYSA-N 0 0 459.011 5.102 40 0 JKABRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 ZINC000020767199 195222480 /nfs/dbraw/zinc/22/24/80/195222480.db2.gz IHQQWGRHRDMZNY-UHFFFAOYSA-N 0 0 495.815 6.041 40 0 JKABRN COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCc4cccc5ccccc54)nc3nc2C1 ZINC000020796454 195225770 /nfs/dbraw/zinc/22/57/70/195225770.db2.gz BFJMVNXSTOBZBO-IBGZPJMESA-N 0 0 466.566 5.491 40 0 JKABRN O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 ZINC000020796323 195225787 /nfs/dbraw/zinc/22/57/87/195225787.db2.gz KXXYJOTUGGSLFW-OAHLLOKOSA-N 0 0 455.370 5.636 40 0 JKABRN COc1cc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000020797558 195226142 /nfs/dbraw/zinc/22/61/42/195226142.db2.gz TZFSYINDJHGTKU-QHCPKHFHSA-N 0 0 460.921 5.332 40 0 JKABRN CCOC(=O)c1nnc2c(-c3ccc(OC)cc3)c(CC)nn2c1CSc1ccc(C)cc1 ZINC000020797723 195226322 /nfs/dbraw/zinc/22/63/22/195226322.db2.gz IOGYYYBPHYXAOO-UHFFFAOYSA-N 0 0 462.575 5.140 40 0 JKABRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 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494.657 5.487 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000044884169 525348939 /nfs/dbraw/zinc/34/89/39/525348939.db2.gz KFTDGUCGOXUMIR-RPLLCQBOSA-N 0 0 478.614 5.580 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000044900253 525348948 /nfs/dbraw/zinc/34/89/48/525348948.db2.gz TVXOIJLYHYOXHY-SANMLTNESA-N 0 0 494.657 5.938 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000020492661 525349231 /nfs/dbraw/zinc/34/92/31/525349231.db2.gz PDIZEJJAKRPZHE-DEOSSOPVSA-N 0 0 472.651 5.086 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000044884175 525349258 /nfs/dbraw/zinc/34/92/58/525349258.db2.gz KFTDGUCGOXUMIR-IGKIAQTJSA-N 0 0 478.614 5.580 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000020493030 525349957 /nfs/dbraw/zinc/34/99/57/525349957.db2.gz KTUZQPVHSIFDHR-DEOSSOPVSA-N 0 0 466.603 5.038 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000020481046 525350133 /nfs/dbraw/zinc/35/01/33/525350133.db2.gz CUJPDCMQKUGFQC-DEOSSOPVSA-N 0 0 466.603 5.322 40 0 JKABRN Cc1ccc(OC(F)F)c(C(=O)CSc2nc3ccccc3c(=O)n2[C@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000035459512 525369345 /nfs/dbraw/zinc/36/93/45/525369345.db2.gz PNBXZCAIGSODJH-WWMYMODYSA-N 0 0 486.584 6.279 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 ZINC000044846100 525372760 /nfs/dbraw/zinc/37/27/60/525372760.db2.gz QGUNQSMOLATOFV-LMSSTIIKSA-N 0 0 482.605 5.882 40 0 JKABRN Cc1cc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc(C)c1Cl ZINC000020452306 525380201 /nfs/dbraw/zinc/38/02/01/525380201.db2.gz SEYZOKTXNYTCFG-IBGZPJMESA-N 0 0 479.020 6.913 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl)c1ccccc1 ZINC000038771336 525427490 /nfs/dbraw/zinc/42/74/90/525427490.db2.gz XFNOLIIWBWUVMR-AREMUKBSSA-N 0 0 497.060 5.588 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccccc1 ZINC000036067584 525427997 /nfs/dbraw/zinc/42/79/97/525427997.db2.gz GQSIXBDSDRNJKE-NTKDMRAZSA-N 0 0 471.022 5.017 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000044886297 525429817 /nfs/dbraw/zinc/42/98/17/525429817.db2.gz QURKTSUFXOBYNI-AREMUKBSSA-N 0 0 491.012 5.969 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccccc1 ZINC000020454755 525430189 /nfs/dbraw/zinc/43/01/89/525430189.db2.gz DHACBBAGEQYHSD-MUUNZHRXSA-N 0 0 453.607 6.686 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000038771517 525501529 /nfs/dbraw/zinc/50/15/29/525501529.db2.gz DHGCFEMMBOPNHA-MUUNZHRXSA-N 0 0 484.621 5.648 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000020485706 525502466 /nfs/dbraw/zinc/50/24/66/525502466.db2.gz VRDSTJLZXCGSSL-UHFFFAOYSA-N 0 0 469.434 5.288 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(C)c(C)c2)cc1 ZINC000020457453 525502900 /nfs/dbraw/zinc/50/29/00/525502900.db2.gz ZIPSZBBPSDDPJZ-UHFFFAOYSA-N 0 0 471.022 5.119 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000022430717 525505122 /nfs/dbraw/zinc/50/51/22/525505122.db2.gz WMXZSCXFXNFHPN-UHFFFAOYSA-N 0 0 494.657 5.417 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c2ccccc2C)cc1 ZINC000022430165 525506814 /nfs/dbraw/zinc/50/68/14/525506814.db2.gz AGBLVCCAIXNUTE-PMERELPUSA-N 0 0 498.648 5.713 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2cc(C)cc(C)c2)cc1 ZINC000022430532 525507165 /nfs/dbraw/zinc/50/71/65/525507165.db2.gz WDBBIOIMIFCVBV-MHZLTWQESA-N 0 0 478.658 5.711 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)Cc2cccc(C)c2)cc1 ZINC000022535968 525507606 /nfs/dbraw/zinc/50/76/06/525507606.db2.gz PHTFNOHRYVICAI-DEOSSOPVSA-N 0 0 478.658 5.297 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2cc(Cl)ccc2C)cc1 ZINC000020461939 525507677 /nfs/dbraw/zinc/50/76/77/525507677.db2.gz APJBVAMVPKZZPJ-NRFANRHFSA-N 0 0 485.049 5.646 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)C2CCCCC2)cc1 ZINC000022535478 525507821 /nfs/dbraw/zinc/50/78/21/525507821.db2.gz WEGWYENPHGNHJP-QFIPXVFZSA-N 0 0 456.652 5.121 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022431315 525507830 /nfs/dbraw/zinc/50/78/30/525507830.db2.gz WBTDKUGWKRNILO-KRWDZBQOSA-N 0 0 494.510 5.226 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)Cc2cccc(Cl)c2)cc1 ZINC000022535931 525507922 /nfs/dbraw/zinc/50/79/22/525507922.db2.gz PGWMMASWPHGMMO-QFIPXVFZSA-N 0 0 499.076 5.642 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2F)cc1 ZINC000022535854 525508101 /nfs/dbraw/zinc/50/81/01/525508101.db2.gz TYKUUBSSWFMZEM-JOCHJYFZSA-N 0 0 482.621 5.128 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2ccccc2Cl)cc1 ZINC000020456861 525509009 /nfs/dbraw/zinc/50/90/09/525509009.db2.gz SADNMUPOUBNPSI-QHCPKHFHSA-N 0 0 469.006 5.038 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2cccc(Cl)c2C)cc1 ZINC000022431900 525509357 /nfs/dbraw/zinc/50/93/57/525509357.db2.gz VYIUTJMOQPMWLP-GOSISDBHSA-N 0 0 474.985 5.169 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2ccccc2F)cc1 ZINC000022431533 525509556 /nfs/dbraw/zinc/50/95/56/525509556.db2.gz GIVJJHGBTOISGN-XMMPIXPASA-N 0 0 468.594 5.233 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000020486718 525509625 /nfs/dbraw/zinc/50/96/25/525509625.db2.gz KRXCIHUWPDFXMM-RUZDIDTESA-N 0 0 485.049 5.747 40 0 JKABRN C[C@@H]1Cc2cc(C(=O)Nc3cccc4ccccc43)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448510 525520063 /nfs/dbraw/zinc/52/00/63/525520063.db2.gz ZCJCDUNPQZDZMI-QGZVFWFLSA-N 0 0 476.985 5.885 40 0 JKABRN C[C@@H]1Cc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449557 525520884 /nfs/dbraw/zinc/52/08/84/525520884.db2.gz YRYKIGVQZFKMOE-CYBMUJFWSA-N 0 0 479.360 5.525 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000038755776 525526877 /nfs/dbraw/zinc/52/68/77/525526877.db2.gz DNXXAYLMYAWWCV-HHHXNRCGSA-N 0 0 476.642 5.388 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2Cl)cc1 ZINC000020489144 525596330 /nfs/dbraw/zinc/59/63/30/525596330.db2.gz YLCJPWXNHHEIGJ-UHFFFAOYSA-N 0 0 498.048 5.028 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2Cl)cc1 ZINC000020494612 525598774 /nfs/dbraw/zinc/59/87/74/525598774.db2.gz WGXFHUNWBOXVKD-UHFFFAOYSA-N 0 0 459.011 5.148 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2Cl)cc1 ZINC000044903773 525599807 /nfs/dbraw/zinc/59/98/07/525599807.db2.gz YONJEGKLDGBDHR-UHFFFAOYSA-N 0 0 458.967 5.489 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)cc2C)cc1 ZINC000044849932 525600103 /nfs/dbraw/zinc/60/01/03/525600103.db2.gz QSMDUQDGFWYNSN-MUUNZHRXSA-N 0 0 484.621 5.932 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2Cl)cc1 ZINC000020492959 525601222 /nfs/dbraw/zinc/60/12/22/525601222.db2.gz ZQDOHKNDHPHSBF-UHFFFAOYSA-N 0 0 469.777 6.008 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2Cl)cc1 ZINC000022513629 525601500 /nfs/dbraw/zinc/60/15/00/525601500.db2.gz QOFWILAREAQOQW-UHFFFAOYSA-N 0 0 469.777 6.008 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C(C)C)c(Cl)c2)cc1 ZINC000020462731 525601622 /nfs/dbraw/zinc/60/16/22/525601622.db2.gz GDRQRLHDLWJRRA-UHFFFAOYSA-N 0 0 456.995 6.133 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(Br)c(C)c3)c2)cc1 ZINC000020489881 525601999 /nfs/dbraw/zinc/60/19/99/525601999.db2.gz JMEKIUFZXDPWJM-UHFFFAOYSA-N 0 0 493.810 5.772 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000020495383 525602201 /nfs/dbraw/zinc/60/22/01/525602201.db2.gz ODBCOIYIYCZWHU-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@@H](C)c3cc(C)ccc3C)c2)cc1 ZINC000020494263 525602255 /nfs/dbraw/zinc/60/22/55/525602255.db2.gz LZHSDFPWUXSMTR-SFHVURJKSA-N 0 0 456.995 5.557 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Br)c3)cc2Cl)cc1 ZINC000044899684 525602745 /nfs/dbraw/zinc/60/27/45/525602745.db2.gz KMSLYZQKUCKVLU-UHFFFAOYSA-N 0 0 479.783 5.464 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000044885407 525603143 /nfs/dbraw/zinc/60/31/43/525603143.db2.gz GAIYHGCZSYADFM-UHFFFAOYSA-N 0 0 479.783 5.464 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 ZINC000044945898 525603466 /nfs/dbraw/zinc/60/34/66/525603466.db2.gz ALQZGZDOGVIHAD-UHFFFAOYSA-N 0 0 469.777 6.008 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000044946827 525604336 /nfs/dbraw/zinc/60/43/36/525604336.db2.gz JHDWWBVXOKPMTK-UHFFFAOYSA-N 0 0 469.777 6.008 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)c(Cl)c2)cc1 ZINC000020494480 525604470 /nfs/dbraw/zinc/60/44/70/525604470.db2.gz FLIZECWKHMWUCQ-UHFFFAOYSA-N 0 0 469.777 6.008 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 ZINC000044903802 525606313 /nfs/dbraw/zinc/60/63/13/525606313.db2.gz RMTVQRGVDYWWEO-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN Cc1ccc(SCc2nn(CC(=O)Nc3cc(C)ccc3C)c(=S)n2-c2ccccc2)cc1 ZINC000016769381 525663985 /nfs/dbraw/zinc/66/39/85/525663985.db2.gz ZISVTFVCUPYNLS-UHFFFAOYSA-N 0 0 474.655 6.260 40 0 JKABRN Cc1ccc(SCc2nn(CC(=O)NC3CCCCC3)c(=S)n2-c2ccccc2)cc1 ZINC000016769403 525664350 /nfs/dbraw/zinc/66/43/50/525664350.db2.gz MMIHPCXSHWQNJF-UHFFFAOYSA-N 0 0 452.649 5.453 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cc(Br)ccc1Cl ZINC000026124345 525687882 /nfs/dbraw/zinc/68/78/82/525687882.db2.gz LUKIFNBCFULNMD-UHFFFAOYSA-N 0 0 476.161 6.051 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000026124574 525688512 /nfs/dbraw/zinc/68/85/12/525688512.db2.gz RHIKOUUGQVAKSY-UHFFFAOYSA-N 0 0 463.324 6.548 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000020460911 525692761 /nfs/dbraw/zinc/69/27/61/525692761.db2.gz CHTTWBBCHQWDNO-LJQANCHMSA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020452386 525694566 /nfs/dbraw/zinc/69/45/66/525694566.db2.gz HTTGGTZXVNWSAP-LJQANCHMSA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000020493076 525695361 /nfs/dbraw/zinc/69/53/61/525695361.db2.gz KYCHAWUWRMTEIK-HXUWFJFHSA-N 0 0 471.022 5.338 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)c(C)c1 ZINC000020457203 525711053 /nfs/dbraw/zinc/71/10/53/525711053.db2.gz QRZYHSVEUHWURA-IEBWSBKVSA-N 0 0 483.461 5.029 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000044946563 525715478 /nfs/dbraw/zinc/71/54/78/525715478.db2.gz ZJZCCEDYJQRXSL-GOSISDBHSA-N 0 0 456.995 5.273 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000022526637 525716228 /nfs/dbraw/zinc/71/62/28/525716228.db2.gz IDAAHGGSYSYORM-LJQANCHMSA-N 0 0 471.022 5.414 40 0 JKABRN Cc1ccc([C@@H](NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000022427795 525768920 /nfs/dbraw/zinc/76/89/20/525768920.db2.gz ALKKNVMPRZNMCQ-NDEPHWFRSA-N 0 0 470.594 5.096 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000044884933 525772997 /nfs/dbraw/zinc/77/29/97/525772997.db2.gz GWWIPSPIZBNSNB-LJAQVGFWSA-N 0 0 498.648 5.789 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c2ccccc2)cc1 ZINC000044900351 525773172 /nfs/dbraw/zinc/77/31/72/525773172.db2.gz FORVETZPFZVLIK-SANMLTNESA-N 0 0 456.567 5.315 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c2ccccc2)cc1 ZINC000044899712 525773277 /nfs/dbraw/zinc/77/32/77/525773277.db2.gz MYSAHTAVZXZKIR-NDEPHWFRSA-N 0 0 484.621 5.932 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c2ccccc2)cc1 ZINC000020453931 525773367 /nfs/dbraw/zinc/77/33/67/525773367.db2.gz XSJVEPYNRXRUJL-IGYGKHONSA-N 0 0 492.644 6.289 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c2ccccc2)cc1 ZINC000044900800 525773393 /nfs/dbraw/zinc/77/33/93/525773393.db2.gz PSESIQPFQGUCGY-SANMLTNESA-N 0 0 491.012 5.969 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000020458447 525778127 /nfs/dbraw/zinc/77/81/27/525778127.db2.gz CQNKKBXDJVZUGS-OAHLLOKOSA-N 0 0 479.385 5.509 40 0 JKABRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000022567732 525822680 /nfs/dbraw/zinc/82/26/80/525822680.db2.gz ZQLCDWHLZLMJRC-UHFFFAOYSA-N 0 0 460.402 6.874 40 0 JKABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022529959 525872083 /nfs/dbraw/zinc/87/20/83/525872083.db2.gz BMZANLRWLAUSOY-UHFFFAOYSA-N 0 0 479.602 5.169 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000020492532 525888089 /nfs/dbraw/zinc/88/80/89/525888089.db2.gz PAZKCANJZVQFOD-SFHVURJKSA-N 0 0 491.440 5.683 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020451480 525888420 /nfs/dbraw/zinc/88/84/20/525888420.db2.gz MJNGWKCVMNFOPW-FQEVSTJZSA-N 0 0 471.022 5.338 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000044904852 525888556 /nfs/dbraw/zinc/88/85/56/525888556.db2.gz YUOZBKSKZYCCKT-IBGZPJMESA-N 0 0 456.995 5.030 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000022513661 525888608 /nfs/dbraw/zinc/88/86/08/525888608.db2.gz RLEYQDNHIVFGFU-IFDVCUOJSA-N 0 0 480.674 5.106 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020451332 525889785 /nfs/dbraw/zinc/88/97/85/525889785.db2.gz HDOZPYGIRYPLGJ-KRWDZBQOSA-N 0 0 477.413 5.375 40 0 JKABRN Cc1ccc(-n2c(COc3ccccc3)nn(CC(=O)Nc3cc(C)ccc3C)c2=S)cc1 ZINC000016769137 525897845 /nfs/dbraw/zinc/89/78/45/525897845.db2.gz YWGSJBMNCOHQMG-UHFFFAOYSA-N 0 0 458.587 5.546 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000044900846 525908003 /nfs/dbraw/zinc/90/80/03/525908003.db2.gz JEOTWVMCYGITIB-ROUUACIJSA-N 0 0 483.461 5.029 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 ZINC000022516753 525910160 /nfs/dbraw/zinc/91/01/60/525910160.db2.gz QUCBIOHUXOAYGF-KRWDZBQOSA-N 0 0 491.440 5.759 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000038752364 525910366 /nfs/dbraw/zinc/91/03/66/525910366.db2.gz YBKLDUHPKBRAFC-IBGZPJMESA-N 0 0 471.022 5.414 40 0 JKABRN C[C@@]12CC[C@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000036371972 525915372 /nfs/dbraw/zinc/91/53/72/525915372.db2.gz QSEBTTYLHXQXSF-YCTJGOQLSA-N 0 0 480.604 6.988 40 0 JKABRN Cc1ccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)cc1Cl ZINC000022713166 525922566 /nfs/dbraw/zinc/92/25/66/525922566.db2.gz VEMCJAFPHHRKAU-UHFFFAOYSA-N 0 0 476.857 7.371 40 0 JKABRN Cc1ccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)cc1C ZINC000022562481 525922784 /nfs/dbraw/zinc/92/27/84/525922784.db2.gz CHMSTNGGLDGUMH-UHFFFAOYSA-N 0 0 456.439 7.026 40 0 JKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000044884383 525948078 /nfs/dbraw/zinc/94/80/78/525948078.db2.gz SBLOQSWNGRSSLI-ZDUSSCGKSA-N 0 0 499.803 5.854 40 0 JKABRN Cc1ccc([C@H](NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000022430091 525963317 /nfs/dbraw/zinc/96/33/17/525963317.db2.gz CTIIYXVIPYBDNB-GDLZYMKVSA-N 0 0 484.621 5.405 40 0 JKABRN Cc1ccc([C@H](NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000022430241 525963327 /nfs/dbraw/zinc/96/33/27/525963327.db2.gz ZHGSJDXSRQANFB-SSEXGKCCSA-N 0 0 498.648 5.713 40 0 JKABRN Cc1ccc([C@H](NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000020456165 525964051 /nfs/dbraw/zinc/96/40/51/525964051.db2.gz MMYUQAXPDCMRKO-MUUNZHRXSA-N 0 0 488.584 5.235 40 0 JKABRN Cc1ccc([C@H](NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000036067612 525966342 /nfs/dbraw/zinc/96/63/42/525966342.db2.gz TWRNWRSVCIWODE-NTKDMRAZSA-N 0 0 471.022 5.017 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c2ccccc2)cc1 ZINC000044880327 525967345 /nfs/dbraw/zinc/96/73/45/525967345.db2.gz YKJHAQBJLBUTKF-AREMUKBSSA-N 0 0 491.012 5.969 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000044884930 525967464 /nfs/dbraw/zinc/96/74/64/525967464.db2.gz GWWIPSPIZBNSNB-GDLZYMKVSA-N 0 0 498.648 5.789 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c2ccccc2)cc1 ZINC000044904556 525967589 /nfs/dbraw/zinc/96/75/89/525967589.db2.gz MMOFXHSFESEITN-GDLZYMKVSA-N 0 0 498.648 6.240 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c2ccccc2)cc1 ZINC000020453084 525968132 /nfs/dbraw/zinc/96/81/32/525968132.db2.gz IKOADQAWIWHZAA-HHHXNRCGSA-N 0 0 476.642 5.388 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c2ccccc2)cc1 ZINC000022515072 525968641 /nfs/dbraw/zinc/96/86/41/525968641.db2.gz RZLPBVNVHUKEPJ-GDLZYMKVSA-N 0 0 498.648 6.240 40 0 JKABRN Cc1c2oc(-c3ccccc3Br)nc2c(Br)c(N)c1Br ZINC000073639506 525997569 /nfs/dbraw/zinc/99/75/69/525997569.db2.gz JZRYCRWRIJRDNX-UHFFFAOYSA-N 0 0 460.951 5.673 40 0 JKABRN Cc1ccc(C(=C2[C@@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)c2ccc(C)cc2)cc1 ZINC000016291660 526011016 /nfs/dbraw/zinc/01/10/16/526011016.db2.gz YUEJZPXZJDFDFS-WKWYISCVSA-N 0 0 465.980 6.380 40 0 JKABRN Cc1ccc(C(=O)CSc2nnc(COc3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(C)c1 ZINC000026506401 526050060 /nfs/dbraw/zinc/05/00/60/526050060.db2.gz VHKHJTDOUFCMMH-UHFFFAOYSA-N 0 0 485.653 6.736 40 0 JKABRN CSc1ccc([C@@H](Nc2ccccc2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000026770852 526063003 /nfs/dbraw/zinc/06/30/03/526063003.db2.gz ZGZBJTHYRMUYLF-RUZDIDTESA-N 0 0 458.652 7.541 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)CC2)cc1 ZINC000022743213 526114660 /nfs/dbraw/zinc/11/46/60/526114660.db2.gz VAOGFEDRSFKERD-UHFFFAOYSA-N 0 0 485.628 5.272 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)CC2)cc1 ZINC000022707754 526115561 /nfs/dbraw/zinc/11/55/61/526115561.db2.gz GVNOCQMKZGUEMG-UHFFFAOYSA-N 0 0 471.601 5.098 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 ZINC000022567355 526143468 /nfs/dbraw/zinc/14/34/68/526143468.db2.gz RKEUDNQNTNQELE-UHFFFAOYSA-N 0 0 459.615 5.980 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000027903923 526146828 /nfs/dbraw/zinc/14/68/28/526146828.db2.gz VNXMYZIJMJIVGY-UHFFFAOYSA-N 0 0 466.360 5.693 40 0 JKABRN Cc1cc(C(=O)CSC2=N[C@H]3SC=C(c4ccccc4)[C@H]3C(=O)N2C)c(C)n1-c1nccs1 ZINC000070503712 526213362 /nfs/dbraw/zinc/21/33/62/526213362.db2.gz WJXWWJWPPAIRFR-RTWAWAEBSA-N 0 0 494.667 5.025 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C ZINC000022569168 526215482 /nfs/dbraw/zinc/21/54/82/526215482.db2.gz OTWLKXUYBHOHMP-UHFFFAOYSA-N 0 0 461.543 5.256 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000022749713 526215633 /nfs/dbraw/zinc/21/56/33/526215633.db2.gz QXHSOZMJPMRQMT-UHFFFAOYSA-N 0 0 491.569 5.468 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 ZINC000022739004 526216040 /nfs/dbraw/zinc/21/60/40/526216040.db2.gz ZELAVPHXNGGIPE-UHFFFAOYSA-N 0 0 481.961 5.601 40 0 JKABRN Cc1ccc2c(cccc2NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)n1 ZINC000020407904 526222758 /nfs/dbraw/zinc/22/27/58/526222758.db2.gz CHESFCMWTQYFKQ-UHFFFAOYSA-N 0 0 456.354 6.237 40 0 JKABRN Cc1ccc(C(=O)c2ccc(N3CCN(C(=O)c4ccccc4Br)CC3)c(F)c2)cc1C ZINC000020394552 526241945 /nfs/dbraw/zinc/24/19/45/526241945.db2.gz ZCNFDIXKVGAJHC-UHFFFAOYSA-N 0 0 495.392 5.398 40 0 JKABRN Cc1ccc(C(C)C)c(OCc2nn(CC(=O)c3ccc(Cl)cc3)c(=S)n2-c2ccccc2)c1 ZINC000016769152 526248699 /nfs/dbraw/zinc/24/86/99/526248699.db2.gz NHOOQXQBNWMPDM-UHFFFAOYSA-N 0 0 492.044 6.950 40 0 JKABRN Cc1ccc(C)c(-n2c(-c3ccccc3)nn(CC(=O)N(c3ccccc3)C(C)C)c2=S)c1 ZINC000016769846 526255948 /nfs/dbraw/zinc/25/59/48/526255948.db2.gz NZMZWNBLIQKHCP-UHFFFAOYSA-N 0 0 456.615 6.129 40 0 JKABRN Cc1ccc(C)c(-n2c(-c3ccccc3)nn(CC(=O)Nc3cccc4ccccc43)c2=S)c1 ZINC000016769756 526257134 /nfs/dbraw/zinc/25/71/34/526257134.db2.gz DTSDAUUORVLYSP-UHFFFAOYSA-N 0 0 464.594 6.479 40 0 JKABRN Cc1ccc(C)c(-n2nnnc2SCC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 ZINC000073667026 526257728 /nfs/dbraw/zinc/25/77/28/526257728.db2.gz FMJNMGLYIZGYLY-UHFFFAOYSA-N 0 0 452.624 5.555 40 0 JKABRN Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000027921579 526286729 /nfs/dbraw/zinc/28/67/29/526286729.db2.gz XSJAAGNKIZHGBS-UHFFFAOYSA-N 0 0 467.289 5.974 40 0 JKABRN Cc1nn(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)c(C)c1Cl ZINC000022535236 526300560 /nfs/dbraw/zinc/30/05/60/526300560.db2.gz HHQQMOGXCSKWNA-UHFFFAOYSA-N 0 0 453.417 7.077 40 0 JKABRN Cc1nn2c(ncc3c(=O)n(CCc4c[nH]c5ccc(C)cc45)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397667 526312644 /nfs/dbraw/zinc/31/26/44/526312644.db2.gz ISQNDSTUDZHYLD-UHFFFAOYSA-N 0 0 467.960 5.705 40 0 JKABRN Fc1ccc(CSc2nncn2NCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016449800 526344918 /nfs/dbraw/zinc/34/49/18/526344918.db2.gz YFWFKNGVMAHNNU-UHFFFAOYSA-N 0 0 489.403 6.339 40 0 JKABRN O=C([O-])c1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000016450004 526367931 /nfs/dbraw/zinc/36/79/31/526367931.db2.gz PJQYNVNXDPEAHU-UHFFFAOYSA-N 0 0 460.755 5.670 40 0 JKABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020456167 526372081 /nfs/dbraw/zinc/37/20/81/526372081.db2.gz WMOWIVTWAZEONL-UHFFFAOYSA-N 0 0 485.480 6.609 40 0 JKABRN O=C(NCCSCc1ccccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020491493 526373084 /nfs/dbraw/zinc/37/30/84/526373084.db2.gz DUROUMNOGFCWBZ-UHFFFAOYSA-N 0 0 451.035 5.956 40 0 JKABRN O=C([C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000095080011 526449104 /nfs/dbraw/zinc/44/91/04/526449104.db2.gz VSHHMWPXQIHNMM-GOTSBHOMSA-N 0 0 498.804 6.019 40 0 JKABRN Cc1nc(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2)cs1 ZINC000023135118 526586175 /nfs/dbraw/zinc/58/61/75/526586175.db2.gz SQSKSNIGHNZJAM-UHFFFAOYSA-N 0 0 483.659 5.083 40 0 JKABRN O=C(N[C@@H]1CCCc2ccccc21)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000020461763 526916246 /nfs/dbraw/zinc/91/62/46/526916246.db2.gz GYXGXYBUPBMEGY-SHQCIBLASA-N 0 0 477.029 5.922 40 0 JKABRN O=C(COC(=O)c1cccs1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000034897402 526918252 /nfs/dbraw/zinc/91/82/52/526918252.db2.gz UMKBOKDABYAIRM-HCAPTICNSA-N 0 0 456.567 5.728 40 0 JKABRN Clc1ccc(Br)cc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 ZINC000073639926 526940376 /nfs/dbraw/zinc/94/03/76/526940376.db2.gz FBSMWRQATKSYKL-UHFFFAOYSA-N 0 0 463.556 7.340 40 0 JKABRN Clc1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2CCN2CCOCC2)cc1 ZINC000027525651 526940558 /nfs/dbraw/zinc/94/05/58/526940558.db2.gz WITFUPCZTGKTES-DAFNUICNSA-N 0 0 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ZINC000013497731 555414848 /nfs/dbraw/zinc/41/48/48/555414848.db2.gz HFRQJPFYMMTLKL-AREMUKBSSA-N 0 0 497.060 5.782 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000013497714 555414893 /nfs/dbraw/zinc/41/48/93/555414893.db2.gz VYNXHMBTQYAWDA-SANMLTNESA-N 0 0 495.044 5.980 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497727 555414909 /nfs/dbraw/zinc/41/49/09/555414909.db2.gz LHVFQSUNKSNXMC-HSZRJFAPSA-N 0 0 456.995 5.366 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013497771 555415207 /nfs/dbraw/zinc/41/52/07/555415207.db2.gz UNTUJQAPWGVSEL-HHHXNRCGSA-N 0 0 469.610 5.672 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)c(OC)c1 ZINC000013497857 555415657 /nfs/dbraw/zinc/41/56/57/555415657.db2.gz BKYZFZVJFPSZHJ-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)c1OC ZINC000013497837 555415661 /nfs/dbraw/zinc/41/56/61/555415661.db2.gz KCVDWGAVGBBKQQ-RUZDIDTESA-N 0 0 496.604 5.280 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)c(OC)c1 ZINC000013497854 555415683 /nfs/dbraw/zinc/41/56/83/555415683.db2.gz WEIRMJZPKKWQCH-MHZLTWQESA-N 0 0 492.641 5.137 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)c(OC)c1 ZINC000013497855 555415701 /nfs/dbraw/zinc/41/57/01/555415701.db2.gz XSJXMQQLJVGNJC-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)c(OC)c1 ZINC000013497847 555415713 /nfs/dbraw/zinc/41/57/13/555415713.db2.gz PAPDQUQJHRNNSZ-RUZDIDTESA-N 0 0 498.670 5.198 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000013497867 555415944 /nfs/dbraw/zinc/41/59/44/555415944.db2.gz YAOZOOPJJRCXTK-RUZDIDTESA-N 0 0 482.671 5.580 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1 ZINC000013497873 555415952 /nfs/dbraw/zinc/41/59/52/555415952.db2.gz PPZYBLOZZSBCCO-HHHXNRCGSA-N 0 0 494.632 5.657 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C(C)=O)c1 ZINC000013497957 555416581 /nfs/dbraw/zinc/41/65/81/555416581.db2.gz ZFMYWPLCBNEZPY-HHHXNRCGSA-N 0 0 490.625 5.335 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(Cl)c2)c1 ZINC000013497961 555416593 /nfs/dbraw/zinc/41/65/93/555416593.db2.gz XIVGCNAMJVIESX-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C(C)=O)c2)c1 ZINC000013497955 555416606 /nfs/dbraw/zinc/41/66/06/555416606.db2.gz HKJBLPWDWGJKBK-HHHXNRCGSA-N 0 0 490.625 5.335 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)Cc2cccs2)c1 ZINC000013497949 555416607 /nfs/dbraw/zinc/41/66/07/555416607.db2.gz DNYKLYYGRJJNPR-HHHXNRCGSA-N 0 0 476.642 5.437 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000013497947 555416615 /nfs/dbraw/zinc/41/66/15/555416615.db2.gz VPKMMJZKYQJSKZ-HHHXNRCGSA-N 0 0 492.641 5.137 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2c(C)cc(C)cc2C)c1 ZINC000013497991 555416889 /nfs/dbraw/zinc/41/68/89/555416889.db2.gz PBNGJRBNWOLWLU-MUUNZHRXSA-N 0 0 490.669 6.058 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)c(F)c2)c1 ZINC000013497967 555416896 /nfs/dbraw/zinc/41/68/96/555416896.db2.gz LDXXUERYBFPDTQ-AREMUKBSSA-N 0 0 480.605 5.580 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000013497973 555416915 /nfs/dbraw/zinc/41/69/15/555416915.db2.gz JBLZXQLFWUHCGE-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(OC)c2)c1 ZINC000013497977 555416922 /nfs/dbraw/zinc/41/69/22/555416922.db2.gz LARXFBADMYNZDP-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2)c1 ZINC000013497989 555416963 /nfs/dbraw/zinc/41/69/63/555416963.db2.gz NWWXPDISRIGJSG-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2C)c1 ZINC000013497998 555417205 /nfs/dbraw/zinc/41/72/05/555417205.db2.gz RZJSSFPIQSJWGG-MHZLTWQESA-N 0 0 476.642 5.749 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccc(OC)c2)C(=O)Cc2cccs2)cc1 ZINC000013498018 555417221 /nfs/dbraw/zinc/41/72/21/555417221.db2.gz MWXIBAYAVNNAAM-MHZLTWQESA-N 0 0 492.641 5.137 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000013498025 555417232 /nfs/dbraw/zinc/41/72/32/555417232.db2.gz LGVQIFZSMJGDSK-AREMUKBSSA-N 0 0 462.615 5.128 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(Cl)c2)cc1 ZINC000013498029 555417482 /nfs/dbraw/zinc/41/74/82/555417482.db2.gz OVJQMSOHGWRMQE-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C(C)=O)c2)cc1 ZINC000013498036 555417505 /nfs/dbraw/zinc/41/75/05/555417505.db2.gz RXYJNPQRNIRUFO-MHZLTWQESA-N 0 0 490.625 5.335 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000013498046 555417520 /nfs/dbraw/zinc/41/75/20/555417520.db2.gz XIPBRIDYDYUWMO-MHZLTWQESA-N 0 0 492.641 5.531 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2OC)cc1 ZINC000013498054 555417534 /nfs/dbraw/zinc/41/75/34/555417534.db2.gz VSJDHZVDCQUYTL-SANMLTNESA-N 0 0 478.614 5.141 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)c1 ZINC000013498049 555417561 /nfs/dbraw/zinc/41/75/61/555417561.db2.gz IVGSYQMDQLVADY-HHHXNRCGSA-N 0 0 492.641 5.531 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2c(C)cc(C)cc2C)cc1 ZINC000013498059 555417790 /nfs/dbraw/zinc/41/77/90/555417790.db2.gz BVJXHOJUGBYTFJ-MUUNZHRXSA-N 0 0 490.669 6.058 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498090 555417797 /nfs/dbraw/zinc/41/77/97/555417797.db2.gz WFQFOFYWMOVLCC-SANMLTNESA-N 0 0 493.604 5.221 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498106 555418135 /nfs/dbraw/zinc/41/81/35/555418135.db2.gz ZSUCWJARVHLPKY-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498103 555418151 /nfs/dbraw/zinc/41/81/51/555418151.db2.gz OXIVLANTKJPNSB-XMMPIXPASA-N 0 0 454.542 5.402 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498095 555418165 /nfs/dbraw/zinc/41/81/65/555418165.db2.gz JWVLNNDBPMAOSB-AREMUKBSSA-N 0 0 478.589 5.466 40 0 JKABRN COc1ccc(C)cc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498118 555418173 /nfs/dbraw/zinc/41/81/73/555418173.db2.gz LKRZLNFYVYRPIA-SANMLTNESA-N 0 0 480.605 5.580 40 0 JKABRN Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498137 555418316 /nfs/dbraw/zinc/41/83/16/555418316.db2.gz HOXDIKCLSABEMW-RUZDIDTESA-N 0 0 450.579 5.571 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498153 555418359 /nfs/dbraw/zinc/41/83/59/555418359.db2.gz MMWLKIBMYXKYSG-RUZDIDTESA-N 0 0 468.569 5.398 40 0 JKABRN Cc1cccc(C)c1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498132 555418397 /nfs/dbraw/zinc/41/83/97/555418397.db2.gz VTVKAJFYWMCLLZ-SANMLTNESA-N 0 0 464.606 5.880 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498176 555418641 /nfs/dbraw/zinc/41/86/41/555418641.db2.gz APDXEUFKDDOGQT-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN COc1ccc(C)cc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498186 555418664 /nfs/dbraw/zinc/41/86/64/555418664.db2.gz VMMFFTSNMDLOOV-SANMLTNESA-N 0 0 480.605 5.580 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498172 555418678 /nfs/dbraw/zinc/41/86/78/555418678.db2.gz SGLJSTTWQVJIBP-DEOSSOPVSA-N 0 0 454.542 5.402 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498224 555418877 /nfs/dbraw/zinc/41/88/77/555418877.db2.gz ZVVGWZNEUVAMPI-MHZLTWQESA-N 0 0 476.642 5.437 40 0 JKABRN Cc1cccc(C)c1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498200 555418945 /nfs/dbraw/zinc/41/89/45/555418945.db2.gz JGEGNWLEOFJRTK-SANMLTNESA-N 0 0 464.606 5.880 40 0 JKABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498198 555418958 /nfs/dbraw/zinc/41/89/58/555418958.db2.gz MYXPHYBDRSGQHK-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000013498216 555418978 /nfs/dbraw/zinc/41/89/78/555418978.db2.gz XOBZMGAQPHDTMR-DEOSSOPVSA-N 0 0 452.645 5.489 40 0 JKABRN Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498208 555418982 /nfs/dbraw/zinc/41/89/82/555418982.db2.gz LPJSGEVDCVKNNS-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013498238 555419157 /nfs/dbraw/zinc/41/91/57/555419157.db2.gz LHHYDETZSWCVGH-MHZLTWQESA-N 0 0 474.626 5.635 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1F ZINC000013498248 555419159 /nfs/dbraw/zinc/41/91/59/555419159.db2.gz LYDFQPMJWCHQIC-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013498249 555419162 /nfs/dbraw/zinc/41/91/62/555419162.db2.gz PKQFPXBKWQXKRG-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)cc1OC ZINC000013498254 555419170 /nfs/dbraw/zinc/41/91/70/555419170.db2.gz XIGWBGYPNVNELP-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1OC ZINC000013498253 555419176 /nfs/dbraw/zinc/41/91/76/555419176.db2.gz XIGWBGYPNVNELP-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C(C)=O)cc2)cc1 ZINC000013498278 555419488 /nfs/dbraw/zinc/41/94/88/555419488.db2.gz LCGFMYYXOPJRGV-NDEPHWFRSA-N 0 0 488.653 5.889 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498257 555419495 /nfs/dbraw/zinc/41/94/95/555419495.db2.gz KJUFUTWDZUKQPJ-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1 ZINC000013498279 555419498 /nfs/dbraw/zinc/41/94/98/555419498.db2.gz YTASEVYXCKQHBD-XMMPIXPASA-N 0 0 452.645 5.489 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013498293 555419519 /nfs/dbraw/zinc/41/95/19/555419519.db2.gz KLEBPQVKQWCDJR-HHHXNRCGSA-N 0 0 476.642 5.437 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498258 555419526 /nfs/dbraw/zinc/41/95/26/555419526.db2.gz KJUFUTWDZUKQPJ-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498300 555419537 /nfs/dbraw/zinc/41/95/37/555419537.db2.gz HUIMYYDKJFJMJL-SANMLTNESA-N 0 0 490.625 5.219 40 0 JKABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013498302 555419554 /nfs/dbraw/zinc/41/95/54/555419554.db2.gz DKNHIAUGPZNIKU-SANMLTNESA-N 0 0 490.625 5.219 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013498290 555419565 /nfs/dbraw/zinc/41/95/65/555419565.db2.gz DSXWHNFUIGHFQZ-MHZLTWQESA-N 0 0 476.642 5.437 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498308 555419720 /nfs/dbraw/zinc/41/97/20/555419720.db2.gz WTWINQOLHWHNLE-MHZLTWQESA-N 0 0 474.626 5.635 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000013498312 555419737 /nfs/dbraw/zinc/41/97/37/555419737.db2.gz JZBHGIBLHKUEOU-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)cc1 ZINC000013498316 555419746 /nfs/dbraw/zinc/41/97/46/555419746.db2.gz MSSKFLJZSKLEQM-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)cc1 ZINC000013498315 555419754 /nfs/dbraw/zinc/41/97/54/555419754.db2.gz 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CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499349 555430790 /nfs/dbraw/zinc/43/07/90/555430790.db2.gz UBTHKSGSTJWGMU-RUZDIDTESA-N 0 0 478.641 5.314 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499372 555430804 /nfs/dbraw/zinc/43/08/04/555430804.db2.gz VGAUYSKOKFCBKN-VWLOTQADSA-N 0 0 490.608 5.165 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499463 555431653 /nfs/dbraw/zinc/43/16/53/555431653.db2.gz KDEVCYNOSNVROT-RUZDIDTESA-N 0 0 474.609 5.383 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499464 555431707 /nfs/dbraw/zinc/43/17/07/555431707.db2.gz KDEVCYNOSNVROT-VWLOTQADSA-N 0 0 474.609 5.383 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499474 555431736 /nfs/dbraw/zinc/43/17/36/555431736.db2.gz XVYMUPJACHGULJ-AHWVRZQESA-N 0 0 492.668 5.159 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499475 555431832 /nfs/dbraw/zinc/43/18/32/555431832.db2.gz PSTBVDROMODQKQ-AREMUKBSSA-N 0 0 488.636 5.773 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499521 555432325 /nfs/dbraw/zinc/43/23/25/555432325.db2.gz FVTGOPUAOGDUDY-HHHXNRCGSA-N 0 0 496.615 5.316 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499545 555432656 /nfs/dbraw/zinc/43/26/56/555432656.db2.gz LDZYBYREBWYIAH-RUZDIDTESA-N 0 0 472.637 5.430 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499548 555432700 /nfs/dbraw/zinc/43/27/00/555432700.db2.gz TVMSYHICSJMUET-QHCPKHFHSA-N 0 0 478.666 5.492 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cccnc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499553 555432721 /nfs/dbraw/zinc/43/27/21/555432721.db2.gz IXLQONANSVQKRR-RUZDIDTESA-N 0 0 487.652 5.215 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499574 555432911 /nfs/dbraw/zinc/43/29/11/555432911.db2.gz UGTHZGAXJZPOQZ-NDEPHWFRSA-N 0 0 498.675 6.180 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499573 555432962 /nfs/dbraw/zinc/43/29/62/555432962.db2.gz UGTHZGAXJZPOQZ-MUUNZHRXSA-N 0 0 498.675 6.180 40 0 JKABRN CCC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499584 555433016 /nfs/dbraw/zinc/43/30/16/555433016.db2.gz HYLCCVUGQJLANQ-MHZLTWQESA-N 0 0 496.615 5.316 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499625 555433406 /nfs/dbraw/zinc/43/34/06/555433406.db2.gz GATAWKLDZOGZLS-RUZDIDTESA-N 0 0 486.664 5.820 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499605 555433530 /nfs/dbraw/zinc/43/35/30/555433530.db2.gz UCFRGZNAHTVUCK-HHHXNRCGSA-N 0 0 496.615 5.316 40 0 JKABRN 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484.648 5.728 40 0 JKABRN Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C2CCCCC2)C(C)C)cc1 ZINC000013500341 555439279 /nfs/dbraw/zinc/43/92/79/555439279.db2.gz NVMVEGQIAIWUMF-MUUNZHRXSA-N 0 0 498.675 6.036 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cccnc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500374 555439321 /nfs/dbraw/zinc/43/93/21/555439321.db2.gz CZYYYMGWMHPLLR-RUZDIDTESA-N 0 0 487.652 5.071 40 0 JKABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500446 555440188 /nfs/dbraw/zinc/44/01/88/555440188.db2.gz SVDNQPPBRLMXOG-HHHXNRCGSA-N 0 0 496.615 5.058 40 0 JKABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500453 555440511 /nfs/dbraw/zinc/44/05/11/555440511.db2.gz RUYPURMEWLAMSH-SANMLTNESA-N 0 0 488.636 5.629 40 0 JKABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500486 555440594 /nfs/dbraw/zinc/44/05/94/555440594.db2.gz GQVGAOBKMGFVSI-XMMPIXPASA-N 0 0 476.650 5.399 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500470 555440642 /nfs/dbraw/zinc/44/06/42/555440642.db2.gz ZKVGHTOYAZVVCG-HSZRJFAPSA-N 0 0 478.666 5.429 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500496 555441140 /nfs/dbraw/zinc/44/11/40/555441140.db2.gz BLROLSQJAGKBBJ-XMMPIXPASA-N 0 0 492.693 5.738 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500697 555442824 /nfs/dbraw/zinc/44/28/24/555442824.db2.gz RBOTWVICMQLJEL-QHCPKHFHSA-N 0 0 458.610 5.122 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500713 555442861 /nfs/dbraw/zinc/44/28/61/555442861.db2.gz AMSQNYZFJZWBKI-QHCPKHFHSA-N 0 0 476.600 5.261 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500746 555443466 /nfs/dbraw/zinc/44/34/66/555443466.db2.gz QHWGAJWKQQGYNO-JOCHJYFZSA-N 0 0 464.639 5.183 40 0 JKABRN 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CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500833 555444481 /nfs/dbraw/zinc/44/44/81/555444481.db2.gz GXOORCIUDAAGGY-VWLOTQADSA-N 0 0 490.627 5.651 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500829 555444491 /nfs/dbraw/zinc/44/44/91/555444491.db2.gz LZGOZWRCWPLRBG-DEOSSOPVSA-N 0 0 490.627 5.651 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500903 555445062 /nfs/dbraw/zinc/44/50/62/555445062.db2.gz HETFMJFEHLGNQM-DEOSSOPVSA-N 0 0 474.609 5.465 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500916 555445077 /nfs/dbraw/zinc/44/50/77/555445077.db2.gz MEPDZQOAHNLMHL-AREMUKBSSA-N 0 0 482.588 5.008 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500911 555445084 /nfs/dbraw/zinc/44/50/84/555445084.db2.gz IXIJQYDBHKYJQF-QHCPKHFHSA-N 0 0 462.598 5.105 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500899 555445130 /nfs/dbraw/zinc/44/51/30/555445130.db2.gz IHFPIRLXFOONCM-QFIPXVFZSA-N 0 0 462.598 5.105 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500904 555445219 /nfs/dbraw/zinc/44/52/19/555445219.db2.gz JPMKZZHDWRKDNA-RUZDIDTESA-N 0 0 482.588 5.008 40 0 JKABRN CCC[C@@H](c1nnnn1Cc1ccco1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500953 555445514 /nfs/dbraw/zinc/44/55/14/555445514.db2.gz HDWKAWWMADSSRS-QHCPKHFHSA-N 0 0 488.617 5.069 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500942 555445602 /nfs/dbraw/zinc/44/56/02/555445602.db2.gz OEQUAURUCNZEDQ-JOCHJYFZSA-N 0 0 478.666 5.573 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500931 555445614 /nfs/dbraw/zinc/44/56/14/555445614.db2.gz PWHZKKYKBWKIGK-VWLOTQADSA-N 0 0 488.636 5.773 40 0 JKABRN 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CCOc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)cc1 ZINC000013502267 555454107 /nfs/dbraw/zinc/45/41/07/555454107.db2.gz HLZGZZLOKRSKRS-HHHXNRCGSA-N 0 0 487.600 5.326 40 0 JKABRN CC(=O)c1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000013502287 555454139 /nfs/dbraw/zinc/45/41/39/555454139.db2.gz QUSXZPKVSMXJLJ-AREMUKBSSA-N 0 0 490.003 5.775 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C(=O)c1ccccn1 ZINC000013502282 555454152 /nfs/dbraw/zinc/45/41/52/555454152.db2.gz QIQMFORYRRYRNJ-SANMLTNESA-N 0 0 476.020 5.610 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccccn1 ZINC000013502293 555454163 /nfs/dbraw/zinc/45/41/63/555454163.db2.gz YKDMXERZBXKXOP-VWLOTQADSA-N 0 0 463.528 5.192 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502303 555454174 /nfs/dbraw/zinc/45/41/74/555454174.db2.gz KKNGTZGXFYEAQN-SANMLTNESA-N 0 0 488.563 5.016 40 0 JKABRN CC(=O)c1cccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013502307 555454333 /nfs/dbraw/zinc/45/43/33/555454333.db2.gz GZMJZUJOFPSEJW-SANMLTNESA-N 0 0 473.548 5.260 40 0 JKABRN COc1cc(OC)cc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013502312 555454336 /nfs/dbraw/zinc/45/43/36/555454336.db2.gz MQAZUMHCKYFZTN-AREMUKBSSA-N 0 0 491.563 5.075 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C)c(F)c2)cc1 ZINC000013502336 555454344 /nfs/dbraw/zinc/45/43/44/555454344.db2.gz AJTQPLAHKLLULP-AREMUKBSSA-N 0 0 475.564 5.375 40 0 JKABRN COc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502309 555454385 /nfs/dbraw/zinc/45/43/85/555454385.db2.gz RTALRILJIQBPNN-VWLOTQADSA-N 0 0 461.537 5.066 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C(C)=O)cc2)cc1 ZINC000013502340 555454578 /nfs/dbraw/zinc/45/45/78/555454578.db2.gz POCUNPPGILDDBK-HHHXNRCGSA-N 0 0 485.584 5.130 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccccn2)cc1 ZINC000013502362 555454628 /nfs/dbraw/zinc/45/46/28/555454628.db2.gz SHTGPRZVPIRBSD-HHHXNRCGSA-N 0 0 471.601 5.313 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(C)cc2)cc1 ZINC000013502353 555454649 /nfs/dbraw/zinc/45/46/49/555454649.db2.gz NUPNBBMJLCBQPV-SANMLTNESA-N 0 0 457.574 5.236 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)cc1 ZINC000013502364 555454659 /nfs/dbraw/zinc/45/46/59/555454659.db2.gz RUZBCBBUICBTAJ-AREMUKBSSA-N 0 0 475.564 5.456 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)cc1 ZINC000013502366 555454671 /nfs/dbraw/zinc/45/46/71/555454671.db2.gz XEPSVEJDEYUSGW-AREMUKBSSA-N 0 0 475.564 5.456 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(OC)c2)cc1 ZINC000013502375 555454873 /nfs/dbraw/zinc/45/48/73/555454873.db2.gz IRHFXLFOQLXJLG-MHZLTWQESA-N 0 0 487.600 5.326 40 0 JKABRN COc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000013502405 555454919 /nfs/dbraw/zinc/45/49/19/555454919.db2.gz DLTSANOGXYKJIA-SANMLTNESA-N 0 0 457.574 5.236 40 0 JKABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4 ZINC000013502573 555455947 /nfs/dbraw/zinc/45/59/47/555455947.db2.gz ILCZAHVKILCKBQ-CQSZACIVSA-N 0 0 475.643 5.165 40 0 JKABRN Cc1nc(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)C[C@H](C)CC5)sc1C ZINC000013502590 555456091 /nfs/dbraw/zinc/45/60/91/555456091.db2.gz XDNMMMCIVRCKSR-SNVBAGLBSA-N 0 0 484.676 5.145 40 0 JKABRN CC(C)(C)c1csc(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)n1 ZINC000013502580 555456109 /nfs/dbraw/zinc/45/61/09/555456109.db2.gz BBXVXMLRMPUZKE-UHFFFAOYSA-N 0 0 498.703 5.580 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)c3ccc(Cl)cc3)cc12 ZINC000013502608 555456154 /nfs/dbraw/zinc/45/61/54/555456154.db2.gz LGRNEVSRLAZTEI-UHFFFAOYSA-N 0 0 481.021 5.610 40 0 JKABRN CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000013502611 555456159 /nfs/dbraw/zinc/45/61/59/555456159.db2.gz MPIIWUJORFRLNL-UHFFFAOYSA-N 0 0 490.629 5.356 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccccc3)[C@@H](C)C(=O)NC(C)(C)C)cc12 ZINC000013502645 555456518 /nfs/dbraw/zinc/45/65/18/555456518.db2.gz AMZPHJOCNSULRI-IBGZPJMESA-N 0 0 474.630 5.341 40 0 JKABRN Cc1nc2cc(C(=O)N(c3ccc(C)cc3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)cc3)ccc2n1C ZINC000013503378 555460661 /nfs/dbraw/zinc/46/06/61/555460661.db2.gz IBTWVCGVZCRMFG-GDLZYMKVSA-N 0 0 494.639 5.945 40 0 JKABRN Cc1nc2cc(C(=O)N(c3ccc(C)cc3)[C@H](C(=O)NC3CCCC3)c3ccc(C)cc3)ccc2n1C ZINC000013503379 555460936 /nfs/dbraw/zinc/46/09/36/555460936.db2.gz IBTWVCGVZCRMFG-LJAQVGFWSA-N 0 0 494.639 5.945 40 0 JKABRN Cc1cccc2cc([C@H](c3nnnn3C(C)C)N(CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000013503391 555460966 /nfs/dbraw/zinc/46/09/66/555460966.db2.gz KQKQLPLSLBOBIA-AREMUKBSSA-N 0 0 498.656 5.300 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccc(C)cc2)c(OC)c1 ZINC000013503508 555460974 /nfs/dbraw/zinc/46/09/74/555460974.db2.gz GVJPLSPUMKEHKD-SANMLTNESA-N 0 0 476.573 5.361 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccoc2C)c2ccc(C)cc2)c1OC ZINC000013503518 555460989 /nfs/dbraw/zinc/46/09/89/555460989.db2.gz POJWFXOUSABJDY-SANMLTNESA-N 0 0 490.600 5.751 40 0 JKABRN Cc1cc(C)cc(N(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)c1 ZINC000013505617 555467312 /nfs/dbraw/zinc/46/73/12/555467312.db2.gz KKMAHRBZFKQEGB-NDEPHWFRSA-N 0 0 497.664 6.750 40 0 JKABRN Cc1[nH]c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)nc(=O)c1Cc1ccccc1 ZINC000009731913 555469259 /nfs/dbraw/zinc/46/92/59/555469259.db2.gz DDWVUIFWXADSCI-HXUWFJFHSA-N 0 0 485.996 6.157 40 0 JKABRN Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013506475 555471770 /nfs/dbraw/zinc/47/17/70/555471770.db2.gz JTPSHAXOEWVHCJ-SANMLTNESA-N 0 0 489.641 5.010 40 0 JKABRN CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccccc1OC ZINC000013509655 555481567 /nfs/dbraw/zinc/48/15/67/555481567.db2.gz YKVBYLXDIMIPHY-UHFFFAOYSA-N 0 0 457.578 5.461 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3Cl)c2C)n1Cc1ccc(Cl)cc1 ZINC000013509798 555481769 /nfs/dbraw/zinc/48/17/69/555481769.db2.gz SRZSBWNAXVKJLQ-UHFFFAOYSA-N 0 0 482.415 7.081 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3Cl)c2C)n1Cc1cccc(Cl)c1 ZINC000013509818 555481798 /nfs/dbraw/zinc/48/17/98/555481798.db2.gz FVMORGYDXNHLEY-UHFFFAOYSA-N 0 0 482.415 7.081 40 0 JKABRN CCCCc1nc2cc(NC(=O)OC(C)(C)C)c(C)nc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000013512779 555484033 /nfs/dbraw/zinc/48/40/33/555484033.db2.gz RCPYTQUEDPNSNZ-UHFFFAOYSA-N 0 0 462.516 6.496 40 0 JKABRN CCCCc1nc2cc(NC(=O)OC(C)(C)C)c(C)nc2n1Cc1cccc(C(F)(F)F)c1 ZINC000013512806 555484126 /nfs/dbraw/zinc/48/41/26/555484126.db2.gz QUWYCCDECMEWQJ-UHFFFAOYSA-N 0 0 462.516 6.496 40 0 JKABRN CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1cccc(C(F)(F)F)c1 ZINC000013512830 555484128 /nfs/dbraw/zinc/48/41/28/555484128.db2.gz UAYKMMCZYXNUKV-UHFFFAOYSA-N 0 0 495.549 6.471 40 0 JKABRN CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013513367 555484257 /nfs/dbraw/zinc/48/42/57/555484257.db2.gz VEZFHJVGNZZXTO-HVVFZDMJSA-N 0 0 450.579 5.370 40 0 JKABRN Cc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000013513564 555484585 /nfs/dbraw/zinc/48/45/85/555484585.db2.gz VOQKMDPYYHEKTJ-UHFFFAOYSA-N 0 0 459.977 5.956 40 0 JKABRN Cc1cccc2cc3cc(C(=O)N(CC(=O)NC4CCCCC4)c4ccc(F)cc4)sc3nc12 ZINC000013513775 555484877 /nfs/dbraw/zinc/48/48/77/555484877.db2.gz IPOWFUDXJQJAMB-UHFFFAOYSA-N 0 0 475.589 5.993 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000013514400 555485448 /nfs/dbraw/zinc/48/54/48/555485448.db2.gz NVTAQODLHBKFID-HJOGWXRNSA-N 0 0 497.378 5.833 40 0 JKABRN O=C(NCc1ccccc1Cl)c1nnn(Cc2ccccc2Cl)c1OCc1ccccc1 ZINC000013517602 555485615 /nfs/dbraw/zinc/48/56/15/555485615.db2.gz TWDQNJONVRHYCP-UHFFFAOYSA-N 0 0 467.356 5.142 40 0 JKABRN CCCc1nc2c(nnn2Cc2ccccc2Cl)c(N2CCC(C(C)=O)(c3ccccc3)CC2)n1 ZINC000013561574 555494528 /nfs/dbraw/zinc/49/45/28/555494528.db2.gz KHOFDFGPQLKTAK-UHFFFAOYSA-N 0 0 489.023 5.003 40 0 JKABRN O=C(CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)N(c1ccccc1)c1ccccc1 ZINC000013561633 555494555 /nfs/dbraw/zinc/49/45/55/555494555.db2.gz KEVXOERZTLYDOC-UHFFFAOYSA-N 0 0 454.492 5.354 40 0 JKABRN CC(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)c2cccs2)cc1 ZINC000013561470 555494570 /nfs/dbraw/zinc/49/45/70/555494570.db2.gz PINXLDNMGZPHBJ-MUUNZHRXSA-N 0 0 492.729 7.394 40 0 JKABRN Cn1c(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc2sccc21 ZINC000013561500 555494604 /nfs/dbraw/zinc/49/46/04/555494604.db2.gz XGQYLJKSARJLRP-AREMUKBSSA-N 0 0 489.616 5.821 40 0 JKABRN O=C(CSc1nc(Cc2ccccc2)nc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000013561672 555494840 /nfs/dbraw/zinc/49/48/40/555494840.db2.gz RXBDSVQPSOKVDO-UHFFFAOYSA-N 0 0 494.576 5.153 40 0 JKABRN CCC(C)(C)NC(=O)CSc1nc(-c2ccccc2Cl)nc2c1cnn2-c1ccccc1 ZINC000013561691 555494864 /nfs/dbraw/zinc/49/48/64/555494864.db2.gz DSYVNOYNKIONFM-UHFFFAOYSA-N 0 0 466.010 5.533 40 0 JKABRN CCN(Cc1ccccc1)[C@H](c1nnnn1CCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013561787 555495044 /nfs/dbraw/zinc/49/50/44/555495044.db2.gz KXRULTROXFBIFC-DEOSSOPVSA-N 0 0 465.523 5.546 40 0 JKABRN FC(F)(F)c1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCCc3ccccc32)cc1 ZINC000013561752 555495119 /nfs/dbraw/zinc/49/51/19/555495119.db2.gz HNAOYAJGXFFTPW-XMMPIXPASA-N 0 0 463.507 5.477 40 0 JKABRN COc1ccc([C@@H](c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1OC ZINC000013561895 555495391 /nfs/dbraw/zinc/49/53/91/555495391.db2.gz IDBQQEGFIZXAGJ-DEOSSOPVSA-N 0 0 496.011 5.484 40 0 JKABRN CCc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3ccccc3)cc2c1 ZINC000013561978 555495416 /nfs/dbraw/zinc/49/54/16/555495416.db2.gz JDWDURUKUYRGAT-UHFFFAOYSA-N 0 0 474.988 6.310 40 0 JKABRN COc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2ccccc2)cc1OC ZINC000013561977 555495428 /nfs/dbraw/zinc/49/54/28/555495428.db2.gz XGJGGFPYMGDEKD-UHFFFAOYSA-N 0 0 474.988 6.365 40 0 JKABRN COc1ccc(CN(Cc2cc3c(C)ccc(C)c3nc2Cl)C(=O)c2ccccc2F)cc1OC ZINC000013561980 555495602 /nfs/dbraw/zinc/49/56/02/555495602.db2.gz GKJUPQLCFJUWBM-UHFFFAOYSA-N 0 0 492.978 6.504 40 0 JKABRN COc1ccc(CN(Cc2cc3cc(C)c(C)cc3nc2Cl)C(=O)c2ccccc2F)cc1OC ZINC000013561981 555495611 /nfs/dbraw/zinc/49/56/11/555495611.db2.gz HADMFVQVUDYANM-UHFFFAOYSA-N 0 0 492.978 6.504 40 0 JKABRN COc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2ccccc2C)cc1OC ZINC000013561989 555495634 /nfs/dbraw/zinc/49/56/34/555495634.db2.gz VLKZQWAGWGTTPS-UHFFFAOYSA-N 0 0 489.015 6.673 40 0 JKABRN CCc1ccc2nc(Cl)c(CN(CCc3ccc(OC)cc3)C(=O)c3ccccc3Cl)cc2c1 ZINC000013562009 555495648 /nfs/dbraw/zinc/49/56/48/555495648.db2.gz IILKNXCJLAIJKN-UHFFFAOYSA-N 0 0 493.434 6.998 40 0 JKABRN COc1ccc(CN(Cc2cc3c(C)ccc(C)c3nc2Cl)C(=O)C2CCC2)cc1OC ZINC000013561998 555495651 /nfs/dbraw/zinc/49/56/51/555495651.db2.gz ZAYHRDYVVPSPAN-UHFFFAOYSA-N 0 0 452.982 5.851 40 0 JKABRN COc1ccc2cc(CN(Cc3cccc(C)c3)C(=O)c3ccccc3OC)c(Cl)nc2c1 ZINC000013562072 555495867 /nfs/dbraw/zinc/49/58/67/555495867.db2.gz RIBGCJCCXQWSDB-UHFFFAOYSA-N 0 0 460.961 6.056 40 0 JKABRN CCOc1ccc(C(=O)N(Cc2cc3cc(OCC)ccc3nc2Cl)C2CCC(C)CC2)cc1 ZINC000013562039 555495874 /nfs/dbraw/zinc/49/58/74/555495874.db2.gz CDPZJVDSGDVRLC-UHFFFAOYSA-N 0 0 481.036 6.907 40 0 JKABRN CCc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3ccccc3OC)cc2c1 ZINC000013562073 555495901 /nfs/dbraw/zinc/49/59/01/555495901.db2.gz FVJKVVGQOZYPOD-UHFFFAOYSA-N 0 0 458.989 6.610 40 0 JKABRN CCOc1ccccc1C(=O)N(Cc1cccc(C)c1)Cc1cc2ccc(OC)cc2nc1Cl ZINC000013562074 555495944 /nfs/dbraw/zinc/49/59/44/555495944.db2.gz ATJMHIVMRISHTB-UHFFFAOYSA-N 0 0 474.988 6.447 40 0 JKABRN Cc1ccc2nc(Cl)c(CN(C(=O)c3ccc(Br)cc3)C3CCC(C)CC3)cc2c1 ZINC000013562029 555495965 /nfs/dbraw/zinc/49/59/65/555495965.db2.gz DTFOIMXYSCDFGT-UHFFFAOYSA-N 0 0 485.853 7.180 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)cc1 ZINC000009778321 555497208 /nfs/dbraw/zinc/49/72/08/555497208.db2.gz IDAAXRLXQLNLKD-UHFFFAOYSA-N 0 0 450.498 5.260 40 0 JKABRN CCOC(=O)[C@@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn32)C1 ZINC000013562725 555497321 /nfs/dbraw/zinc/49/73/21/555497321.db2.gz LSFNZRVNCCAUFF-HXUWFJFHSA-N 0 0 460.965 5.496 40 0 JKABRN COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(c5cc(C)ccc5C)CC4)n3n2)cc1 ZINC000013562728 555497369 /nfs/dbraw/zinc/49/73/69/555497369.db2.gz MYXRTHKRCJCWJC-UHFFFAOYSA-N 0 0 489.623 6.015 40 0 JKABRN COc1cccc(N2CCN(c3cc(-c4ccccc4)nc4cc(-c5ccc(F)cc5)nn43)CC2)c1 ZINC000013562709 555497379 /nfs/dbraw/zinc/49/73/79/555497379.db2.gz FUNKTMPAYTYSPF-UHFFFAOYSA-N 0 0 479.559 5.538 40 0 JKABRN COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(c5cc(C)ccc5C)CC4)n3n2)c1 ZINC000013562755 555497563 /nfs/dbraw/zinc/49/75/63/555497563.db2.gz QHRIGUYMTMKQTE-UHFFFAOYSA-N 0 0 489.623 6.015 40 0 JKABRN COc1cc(OC)cc(-c2cc3nc(-c4ccccc4)cc(NCc4cccc(C)c4)n3n2)c1 ZINC000013562772 555497564 /nfs/dbraw/zinc/49/75/64/555497564.db2.gz MKZMSGVNASYRCE-UHFFFAOYSA-N 0 0 450.542 6.001 40 0 JKABRN COc1ccc(CCNc2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)cc1OC ZINC000013562740 555497566 /nfs/dbraw/zinc/49/75/66/555497566.db2.gz UDFYFKFIGUIFPU-UHFFFAOYSA-N 0 0 468.532 5.874 40 0 JKABRN CCOC(=O)C1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn32)CC1 ZINC000013562748 555497569 /nfs/dbraw/zinc/49/75/69/555497569.db2.gz IWVFGDRVOJFHQL-UHFFFAOYSA-N 0 0 460.965 5.496 40 0 JKABRN COc1cc(OC)cc(-c2cc3nc4c(c(N5CCC(Cc6ccccc6)CC5)n3n2)CCCC4)c1 ZINC000013562836 555497833 /nfs/dbraw/zinc/49/78/33/555497833.db2.gz GGLLGVMJMOWXMY-UHFFFAOYSA-N 0 0 482.628 5.751 40 0 JKABRN O=C(CN1CCC(NC(=O)c2ccccc2Br)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000013562894 555497868 /nfs/dbraw/zinc/49/78/68/555497868.db2.gz LIOQCDGTWGKSKF-UHFFFAOYSA-N 0 0 498.465 5.330 40 0 JKABRN COc1cc(OC)cc(-c2cc3nc4c(c(N5CCN(c6cc(C)ccc6C)CC5)n3n2)CCCC4)c1 ZINC000013562838 555497874 /nfs/dbraw/zinc/49/78/74/555497874.db2.gz TZZBIDHOUTVKDL-UHFFFAOYSA-N 0 0 497.643 5.236 40 0 JKABRN COc1ccc(OC)c(NC(=O)c2sc3nc4ccc(OC(F)(F)F)cc4cc3c2N)c1 ZINC000013564169 555498888 /nfs/dbraw/zinc/49/88/88/555498888.db2.gz VLEAPPLZBQLPFW-UHFFFAOYSA-N 0 0 463.437 5.200 40 0 JKABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)Nc1ccc(Oc2ccccc2)cc1)CCC4 ZINC000013564166 555498894 /nfs/dbraw/zinc/49/88/94/555498894.db2.gz WQYNPHUSVYUTIF-UHFFFAOYSA-N 0 0 451.551 6.565 40 0 JKABRN Cc1ccc2[nH]c(-c3cccnc3SCC(=O)N3c4ccccc4CCc4ccccc43)nc2c1 ZINC000013563971 555498936 /nfs/dbraw/zinc/49/89/36/555498936.db2.gz RVZZYDWMQIWDDZ-UHFFFAOYSA-N 0 0 476.605 6.489 40 0 JKABRN CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1ccc(Cl)nc1)c1cccc2ccccc21 ZINC000013563941 555498984 /nfs/dbraw/zinc/49/89/84/555498984.db2.gz QITYYVQAMNVNNO-XMMPIXPASA-N 0 0 472.976 5.586 40 0 JKABRN Clc1ccccc1CN(Cc1ccccc1)[C@@H](c1cccs1)c1nnnn1C1CCCCC1 ZINC000013564331 555499294 /nfs/dbraw/zinc/49/92/94/555499294.db2.gz ASZPOQBNHQUMCG-VWLOTQADSA-N 0 0 478.065 6.685 40 0 JKABRN O=c1[nH]c2c(cc1CNCc1ccccc1Cl)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000013564711 555499481 /nfs/dbraw/zinc/49/94/81/555499481.db2.gz UUJMZTBFMIEFNO-UHFFFAOYSA-N 0 0 458.924 5.463 40 0 JKABRN O=c1[nH]c2c(cc1CNCc1ccccc1Cl)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000013564738 555499825 /nfs/dbraw/zinc/49/98/25/555499825.db2.gz VQGJOEFPYGCLOI-UHFFFAOYSA-N 0 0 458.924 5.463 40 0 JKABRN Cc1sc(NC(=O)CN2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000013564954 555500288 /nfs/dbraw/zinc/50/02/88/555500288.db2.gz FHTIZRGPUPBFFR-UHFFFAOYSA-N 0 0 474.630 5.054 40 0 JKABRN CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCCc2ccccc21 ZINC000013565018 555500604 /nfs/dbraw/zinc/50/06/04/555500604.db2.gz JUJINEIKLQNUJF-UHFFFAOYSA-N 0 0 459.521 5.116 40 0 JKABRN Cc1sc(NC(=O)CN2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000013564982 555500654 /nfs/dbraw/zinc/50/06/54/555500654.db2.gz RLPHXTFZVGIAIX-UHFFFAOYSA-N 0 0 488.657 5.444 40 0 JKABRN COc1cc(Cn2c(C(=O)OC(C)C)cc3c2ccn3-c2ccc(F)cc2)cc(OC)c1OC ZINC000013565029 555500702 /nfs/dbraw/zinc/50/07/02/555500702.db2.gz CINAHMGAOWBGHN-UHFFFAOYSA-N 0 0 466.509 5.210 40 0 JKABRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000009781082 555501066 /nfs/dbraw/zinc/50/10/66/555501066.db2.gz USJAKYHNGIVAAA-BHTHQVBYSA-N 0 0 458.887 5.739 40 0 JKABRN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCC[C@H]4C)c(Cl)c3N2)cc1 ZINC000009781060 555501140 /nfs/dbraw/zinc/50/11/40/555501140.db2.gz OXIAARDTXJYHNH-DAXOMENPSA-N 0 0 456.896 5.220 40 0 JKABRN COc1ccc(NC(=O)c2ncoc2-c2ccccc2Cl)cc1NC(=O)c1cccs1 ZINC000013565450 555501671 /nfs/dbraw/zinc/50/16/71/555501671.db2.gz ILRXJZCKTQTFOY-UHFFFAOYSA-N 0 0 453.907 5.570 40 0 JKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ncoc2-c2ccc3ccccc3c2)cc1C(N)=O ZINC000013565472 555501991 /nfs/dbraw/zinc/50/19/91/555501991.db2.gz CKQLEWYARXLFOE-KRWDZBQOSA-N 0 0 454.530 5.225 40 0 JKABRN CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc5ccccc5c4)n3)ccc21 ZINC000013565763 555502907 /nfs/dbraw/zinc/50/29/07/555502907.db2.gz LWTNHSCDFXCDSN-UHFFFAOYSA-N 0 0 469.610 6.541 40 0 JKABRN O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccc(Br)cc1 ZINC000013566466 555503222 /nfs/dbraw/zinc/50/32/22/555503222.db2.gz XXMOVWVAOYGWFM-UHFFFAOYSA-N 0 0 474.430 6.066 40 0 JKABRN CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3sccc3C)c(-c3sccc3C)n2)cc1 ZINC000013566495 555503488 /nfs/dbraw/zinc/50/34/88/555503488.db2.gz UJUHWMKBGUSKNK-UHFFFAOYSA-N 0 0 494.667 6.269 40 0 JKABRN Cc1ccsc1-c1nnc(SCC(=O)c2c(C)[nH]c3ccccc32)nc1-c1sccc1C ZINC000013566490 555503503 /nfs/dbraw/zinc/50/35/03/555503503.db2.gz SHGORUXHWPCHJV-UHFFFAOYSA-N 0 0 476.652 6.710 40 0 JKABRN S=C(c1ccccc1OCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019842728 555509463 /nfs/dbraw/zinc/50/94/63/555509463.db2.gz JQDMTWDVGWFMGF-UHFFFAOYSA-N 0 0 478.661 6.348 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2F)cc1 ZINC000019855593 555512775 /nfs/dbraw/zinc/51/27/75/555512775.db2.gz DGNCPHDJJQKKIQ-UHFFFAOYSA-N 0 0 490.556 5.760 40 0 JKABRN COc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019856076 555513667 /nfs/dbraw/zinc/51/36/67/555513667.db2.gz JYMUOPHZMCBKGK-UHFFFAOYSA-N 0 0 466.603 5.269 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000019856180 555514178 /nfs/dbraw/zinc/51/41/78/555514178.db2.gz QZXAYCWVYQIKFH-FQEVSTJZSA-N 0 0 466.603 5.704 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000019856179 555514187 /nfs/dbraw/zinc/51/41/87/555514187.db2.gz QZXAYCWVYQIKFH-HXUWFJFHSA-N 0 0 466.603 5.704 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019856185 555514339 /nfs/dbraw/zinc/51/43/39/555514339.db2.gz MTEKCVBZCSEJPH-UHFFFAOYSA-N 0 0 485.049 6.133 40 0 JKABRN CCc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000019856211 555514546 /nfs/dbraw/zinc/51/45/46/555514546.db2.gz VOFPVERZDAYZDC-UHFFFAOYSA-N 0 0 463.386 5.390 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000019856212 555514571 /nfs/dbraw/zinc/51/45/71/555514571.db2.gz FSYVYWKSSKCRPW-UHFFFAOYSA-N 0 0 471.022 5.914 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O ZINC000019856273 555514755 /nfs/dbraw/zinc/51/47/55/555514755.db2.gz JAEWUDBJARGNAV-UHFFFAOYSA-N 0 0 461.008 5.204 40 0 JKABRN CCC[C@H](C)NC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019856345 555515166 /nfs/dbraw/zinc/51/51/66/555515166.db2.gz JNMFAJYCNRDONE-FQEVSTJZSA-N 0 0 485.049 5.962 40 0 JKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000019856356 555515171 /nfs/dbraw/zinc/51/51/71/555515171.db2.gz RGISVMAIRXGKKU-MRXNPFEDSA-N 0 0 453.029 5.024 40 0 JKABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F ZINC000019856388 555515378 /nfs/dbraw/zinc/51/53/78/555515378.db2.gz DAKQGYYJXRAFSW-UHFFFAOYSA-N 0 0 497.773 5.076 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000019856403 555515414 /nfs/dbraw/zinc/51/54/14/555515414.db2.gz YWYWTFUJXWWIIF-UHFFFAOYSA-N 0 0 463.386 5.390 40 0 JKABRN Cc1cccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1C ZINC000019856427 555515634 /nfs/dbraw/zinc/51/56/34/555515634.db2.gz JIUDOLVDNYCXBR-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2ccc(C)c(Cl)c2)cc1 ZINC000019856434 555515640 /nfs/dbraw/zinc/51/56/40/555515640.db2.gz WSPFTCPGNSMZIR-UHFFFAOYSA-N 0 0 485.049 6.223 40 0 JKABRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000019856459 555515649 /nfs/dbraw/zinc/51/56/49/555515649.db2.gz RXOFMDJJVKIJMG-UHFFFAOYSA-N 0 0 499.803 5.489 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000019856498 555515988 /nfs/dbraw/zinc/51/59/88/555515988.db2.gz AWOWALQDOVKBBF-UHFFFAOYSA-N 0 0 462.921 5.195 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000019856607 555516550 /nfs/dbraw/zinc/51/65/50/555516550.db2.gz FMYNXACYFYMMCR-UHFFFAOYSA-N 0 0 462.493 5.156 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000019856614 555516589 /nfs/dbraw/zinc/51/65/89/555516589.db2.gz QZGXOBYQAGTLPV-UHFFFAOYSA-N 0 0 471.022 5.825 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2ccc(Cl)cc2)cc1 ZINC000019856676 555517154 /nfs/dbraw/zinc/51/71/54/555517154.db2.gz NCNFKPWRTPCPFU-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019856724 555517223 /nfs/dbraw/zinc/51/72/23/555517223.db2.gz XWIZJXQUVYVMNM-UHFFFAOYSA-N 0 0 492.519 5.165 40 0 JKABRN CCCCc1ccc(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000019856809 555517626 /nfs/dbraw/zinc/51/76/26/555517626.db2.gz LUKPXIMUKFJWRQ-UHFFFAOYSA-N 0 0 450.604 5.556 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2F)cc1 ZINC000019856819 555517696 /nfs/dbraw/zinc/51/76/96/555517696.db2.gz JOPMLRDIJIKWII-UHFFFAOYSA-N 0 0 467.349 5.275 40 0 JKABRN CN(c1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000019856899 555517944 /nfs/dbraw/zinc/51/79/44/555517944.db2.gz LJUDSNXWOUPDHE-UHFFFAOYSA-N 0 0 488.634 6.056 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)Nc4cccc(C)c4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584148 555521298 /nfs/dbraw/zinc/52/12/98/555521298.db2.gz VNQGORBASYHRTR-UHFFFAOYSA-N 0 0 464.612 5.737 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)NC4CCCCC4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584111 555521357 /nfs/dbraw/zinc/52/13/57/555521357.db2.gz SQWSLPMDPTZKMF-UHFFFAOYSA-N 0 0 456.633 5.238 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)N(C)Cc4ccccc4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584248 555521601 /nfs/dbraw/zinc/52/16/01/555521601.db2.gz MVOKOPZADXACII-UHFFFAOYSA-N 0 0 478.639 5.448 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)Nc4ccc(C)c(C)c4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584161 555521612 /nfs/dbraw/zinc/52/16/12/555521612.db2.gz CWVRAYBWQAJMFL-UHFFFAOYSA-N 0 0 478.639 6.045 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)Nc4cccc(Cl)c4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584182 555521632 /nfs/dbraw/zinc/52/16/32/555521632.db2.gz SMGALALFFZAVPQ-UHFFFAOYSA-N 0 0 485.030 6.082 40 0 JKABRN CC(=O)c1cccc(NC(=O)c2cc3cc(N(Cc4ccc(C)cc4)S(C)(=O)=O)ccc3s2)c1 ZINC000013584239 555521667 /nfs/dbraw/zinc/52/16/67/555521667.db2.gz HZODJNGKVLANIE-UHFFFAOYSA-N 0 0 492.622 5.631 40 0 JKABRN COc1ccc(C)cc1NC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584227 555521711 /nfs/dbraw/zinc/52/17/11/555521711.db2.gz CJGCOFQOVCPTCE-UHFFFAOYSA-N 0 0 494.638 5.745 40 0 JKABRN CC[C@H](C)NC(=O)c1cc2cc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584317 555521873 /nfs/dbraw/zinc/52/18/73/555521873.db2.gz KLFFSMDXXPCNRI-AWEZNQCLSA-N 0 0 451.013 5.049 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)NC4CCCCCCC4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584294 555521912 /nfs/dbraw/zinc/52/19/12/555521912.db2.gz STTPCWGZZPFEEJ-UHFFFAOYSA-N 0 0 484.687 6.019 40 0 JKABRN CC(C)(C)NC(=O)c1cc2cc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584319 555521916 /nfs/dbraw/zinc/52/19/16/555521916.db2.gz GUEVJOJEJNFAFG-UHFFFAOYSA-N 0 0 451.013 5.049 40 0 JKABRN Cc1ccc(CN(c2ccc3sc(C(=O)N4CCCCCC4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584256 555521942 /nfs/dbraw/zinc/52/19/42/555521942.db2.gz 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CCC[C@@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584557 555522418 /nfs/dbraw/zinc/52/24/18/555522418.db2.gz YAUWPIIEUFYKJI-CQSZACIVSA-N 0 0 495.464 5.407 40 0 JKABRN CCCCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584574 555522449 /nfs/dbraw/zinc/52/24/49/555522449.db2.gz PCQYSIKNSHUMHM-UHFFFAOYSA-N 0 0 495.464 5.409 40 0 JKABRN CN(c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584757 555522587 /nfs/dbraw/zinc/52/25/87/555522587.db2.gz IJCMHYYHXUTOOT-UHFFFAOYSA-N 0 0 488.565 5.322 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868436 555522800 /nfs/dbraw/zinc/52/28/00/555522800.db2.gz ZHOJNMNSTKPEGZ-UHFFFAOYSA-N 0 0 495.350 5.193 40 0 JKABRN CCN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585320 555523454 /nfs/dbraw/zinc/52/34/54/555523454.db2.gz VWLBRMNACCOCGZ-UHFFFAOYSA-N 0 0 472.994 5.190 40 0 JKABRN CCCCc1ccc(NC(=O)COc2ccc(N(CC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000013585414 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ZINC000019931971 555549468 /nfs/dbraw/zinc/54/94/68/555549468.db2.gz IDXYAWLQVNEUAG-RUZDIDTESA-N 0 0 480.630 5.103 40 0 JKABRN Cc1ccccc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000019933076 555550283 /nfs/dbraw/zinc/55/02/83/555550283.db2.gz SYLKHSBQIZAPRK-XMMPIXPASA-N 0 0 450.604 5.094 40 0 JKABRN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000019933102 555550292 /nfs/dbraw/zinc/55/02/92/555550292.db2.gz XYCCPMGESMNXLK-UHFFFAOYSA-N 0 0 489.619 5.864 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000019933469 555550616 /nfs/dbraw/zinc/55/06/16/555550616.db2.gz PNSUOYADVDCDEQ-UHFFFAOYSA-N 0 0 459.011 5.148 40 0 JKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000019933694 555550919 /nfs/dbraw/zinc/55/09/19/555550919.db2.gz LFLICCJNIMYYEF-HSZRJFAPSA-N 0 0 487.021 5.862 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000019933982 555551216 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555563806 /nfs/dbraw/zinc/56/38/06/555563806.db2.gz LCJCYTGHRVBKLW-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)c2cc(C)cc(C)c2)cc1 ZINC000019947553 555563887 /nfs/dbraw/zinc/56/38/87/555563887.db2.gz JZSSTLAQODXCKG-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000013673262 555564822 /nfs/dbraw/zinc/56/48/22/555564822.db2.gz QQXOYUJUFYVUIU-UHFFFAOYSA-N 0 0 491.440 5.246 40 0 JKABRN Cc1ccc(Cl)cc1N(CCCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000013673336 555564871 /nfs/dbraw/zinc/56/48/71/555564871.db2.gz FTOKPPSZYDUHFS-GOSISDBHSA-N 0 0 465.059 5.370 40 0 JKABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000013673421 555565138 /nfs/dbraw/zinc/56/51/38/555565138.db2.gz UCWQATUYASDGMT-UHFFFAOYSA-N 0 0 475.397 5.163 40 0 JKABRN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1)S(=O)(=O)c1ccccc1 ZINC000013674526 555565703 /nfs/dbraw/zinc/56/57/03/555565703.db2.gz 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IBIPYNQLFYJNGK-UHFFFAOYSA-N 0 0 487.311 5.090 40 0 JKABRN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000020023765 555601778 /nfs/dbraw/zinc/60/17/78/555601778.db2.gz XVYDWMSVBADAIF-OALUTQOASA-N 0 0 471.022 5.190 40 0 JKABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020024509 555602330 /nfs/dbraw/zinc/60/23/30/555602330.db2.gz ONNUEWOCLGXGCI-UHFFFAOYSA-N 0 0 496.473 5.326 40 0 JKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000010038810 555604307 /nfs/dbraw/zinc/60/43/07/555604307.db2.gz JLMYHEYITNBKKQ-UHFFFAOYSA-N 0 0 479.945 5.566 40 0 JKABRN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000010039261 555604322 /nfs/dbraw/zinc/60/43/22/555604322.db2.gz HVLGLDLPDPDSKA-NYYWCZLTSA-N 0 0 477.369 5.455 40 0 JKABRN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000010039352 555604625 /nfs/dbraw/zinc/60/46/25/555604625.db2.gz GUCBZCCWVJASNA-MKMNVTDBSA-N 0 0 456.951 5.110 40 0 JKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc5c(c4)OCO5)c3)oc2c1 ZINC000010039418 555604724 /nfs/dbraw/zinc/60/47/24/555604724.db2.gz GZFQXVKOXVFOAF-UHFFFAOYSA-N 0 0 465.918 5.312 40 0 JKABRN COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000010039343 555604777 /nfs/dbraw/zinc/60/47/77/555604777.db2.gz PKTPBGMPGJJMKZ-UHFFFAOYSA-N 0 0 484.883 5.421 40 0 JKABRN COc1cc(C(=O)Nc2cccc(I)c2)ccc1OCc1ccccc1 ZINC000010040256 555604967 /nfs/dbraw/zinc/60/49/67/555604967.db2.gz PGEWRTACTLRGQV-UHFFFAOYSA-N 0 0 459.283 5.131 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc(OCC)c1OCC ZINC000010040412 555605399 /nfs/dbraw/zinc/60/53/99/555605399.db2.gz UZAYEGQYGAAMQZ-UHFFFAOYSA-N 0 0 451.567 5.076 40 0 JKABRN COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)cc1OC ZINC000010040753 555605429 /nfs/dbraw/zinc/60/54/29/555605429.db2.gz JRXXAVUNIWXTHK-DQSJHHFOSA-N 0 0 458.583 5.796 40 0 JKABRN COc1cc(C(=O)OCC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1 ZINC000010042030 555606458 /nfs/dbraw/zinc/60/64/58/555606458.db2.gz PBYOYGBLQWBDAQ-UHFFFAOYSA-N 0 0 455.304 5.076 40 0 JKABRN COc1ccc(-c2s/c(=N\C(=O)c3ccc(OC)c(OC)c3)n(C)c2-c2ccc(OC)cc2)cc1 ZINC000010042276 555606822 /nfs/dbraw/zinc/60/68/22/555606822.db2.gz JKCCUMUVEKOWEO-DQSJHHFOSA-N 0 0 490.581 5.196 40 0 JKABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C1=O ZINC000013749980 555608735 /nfs/dbraw/zinc/60/87/35/555608735.db2.gz DARZNMVGTHKPQI-FKBYEOEOSA-N 0 0 453.325 5.353 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000020034674 555609298 /nfs/dbraw/zinc/60/92/98/555609298.db2.gz JRGZMGNPRNPQJQ-RTWAWAEBSA-N 0 0 466.603 5.128 40 0 JKABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000020035156 555609518 /nfs/dbraw/zinc/60/95/18/555609518.db2.gz QHZLOADOZGDXEL-HHHXNRCGSA-N 0 0 492.641 5.088 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020034959 555609527 /nfs/dbraw/zinc/60/95/27/555609527.db2.gz OTKVZQKJECPYEM-LJQANCHMSA-N 0 0 456.995 5.030 40 0 JKABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000020035153 555609554 /nfs/dbraw/zinc/60/95/54/555609554.db2.gz QHZLOADOZGDXEL-MHZLTWQESA-N 0 0 492.641 5.088 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H]([C@@]4(CC)CCC(CC)=CO4)[C@@H]3C2=O)cc1 ZINC000013751402 555610007 /nfs/dbraw/zinc/61/00/07/555610007.db2.gz QJZAAVNLNNRBFQ-GSTLAZBSSA-N 0 0 490.600 5.407 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccc(C)c(Cl)c2)cc1 ZINC000020035438 555610009 /nfs/dbraw/zinc/61/00/09/555610009.db2.gz YWETWJHKTUJBSO-SANMLTNESA-N 0 0 499.076 6.056 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000020036081 555610549 /nfs/dbraw/zinc/61/05/49/555610549.db2.gz KSAWKSDNVMDBGD-FQEVSTJZSA-N 0 0 498.670 5.188 40 0 JKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000020036162 555610708 /nfs/dbraw/zinc/61/07/08/555610708.db2.gz QTNTVMPZYUSZQW-LJQANCHMSA-N 0 0 452.576 5.073 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)cc2)cc1 ZINC000020037111 555611200 /nfs/dbraw/zinc/61/12/00/555611200.db2.gz ZITMRHWMIKXBPV-HXUWFJFHSA-N 0 0 482.602 5.217 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc2)cc1 ZINC000020037246 555611484 /nfs/dbraw/zinc/61/14/84/555611484.db2.gz PNJCZHAVMUWRTM-HHHXNRCGSA-N 0 0 470.594 5.624 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 ZINC000020037777 555611840 /nfs/dbraw/zinc/61/18/40/555611840.db2.gz MTVPNKPDUIUFQP-RUZDIDTESA-N 0 0 472.651 5.086 40 0 JKABRN O=C(Nc1cccc(Br)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020038445 555612507 /nfs/dbraw/zinc/61/25/07/555612507.db2.gz GJJOSCWRMWDSKY-UHFFFAOYSA-N 0 0 465.756 5.156 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020038719 555612515 /nfs/dbraw/zinc/61/25/15/555612515.db2.gz IGJWAAMSXAKBHA-HXUWFJFHSA-N 0 0 471.022 5.338 40 0 JKABRN Cc1cc(C)cc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000020038771 555612519 /nfs/dbraw/zinc/61/25/19/555612519.db2.gz YFTGDULSAKGIOA-AREMUKBSSA-N 0 0 464.631 5.402 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2C)c1C ZINC000020039278 555612741 /nfs/dbraw/zinc/61/27/41/555612741.db2.gz RHKIHFUBMNFFRD-UHFFFAOYSA-N 0 0 456.995 5.338 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)c1 ZINC000020040678 555613381 /nfs/dbraw/zinc/61/33/81/555613381.db2.gz SFAUSHKZYGYAND-QGZVFWFLSA-N 0 0 458.967 5.164 40 0 JKABRN CCOc1ccccc1CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020040263 555613392 /nfs/dbraw/zinc/61/33/92/555613392.db2.gz RDWUXUWKJSIVTR-UHFFFAOYSA-N 0 0 487.021 5.211 40 0 JKABRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)N(c3ccccc3)O[C@@H]2C1=O ZINC000013768293 555613430 /nfs/dbraw/zinc/61/34/30/555613430.db2.gz IGYJUWUTOCSWLQ-FSSWDIPSSA-N 0 0 453.325 5.353 40 0 JKABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013768982 555613800 /nfs/dbraw/zinc/61/38/00/555613800.db2.gz LDXVWFULKHKEMT-PNTFMKQHSA-N 0 0 493.431 5.317 40 0 JKABRN COc1ccc(S[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC ZINC000020041258 555613972 /nfs/dbraw/zinc/61/39/72/555613972.db2.gz RPIUAMLYBWBRFY-SFHVURJKSA-N 0 0 492.641 6.373 40 0 JKABRN COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000013770001 555613973 /nfs/dbraw/zinc/61/39/73/555613973.db2.gz AKIVTMSWXDDPBD-PUZWTLIVSA-N 0 0 464.389 5.276 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)c(Cl)c1 ZINC000020042812 555614763 /nfs/dbraw/zinc/61/47/63/555614763.db2.gz ORQVOOAJKXKDSS-UHFFFAOYSA-N 0 0 462.727 5.450 40 0 JKABRN CCCOc1ccc([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000013770682 555614840 /nfs/dbraw/zinc/61/48/40/555614840.db2.gz RWOJXXMELXBCQV-PVHODMMVSA-N 0 0 486.568 5.234 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000020043402 555614980 /nfs/dbraw/zinc/61/49/80/555614980.db2.gz OXCUBMRINGHDED-XMMPIXPASA-N 0 0 452.576 5.013 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000020043405 555615023 /nfs/dbraw/zinc/61/50/23/555615023.db2.gz OXCUBMRINGHDED-DEOSSOPVSA-N 0 0 452.576 5.013 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(N(CC)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1 ZINC000020044595 555615608 /nfs/dbraw/zinc/61/56/08/555615608.db2.gz PHXJUIISLYADHP-IBGZPJMESA-N 0 0 498.670 5.513 40 0 JKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020044216 555615665 /nfs/dbraw/zinc/61/56/65/555615665.db2.gz JJNDORWKVRURRT-UHFFFAOYSA-N 0 0 478.661 7.492 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1Cl ZINC000020046095 555616942 /nfs/dbraw/zinc/61/69/42/555616942.db2.gz VAGFAECURNVPHT-UHFFFAOYSA-N 0 0 486.977 5.187 40 0 JKABRN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020046890 555617196 /nfs/dbraw/zinc/61/71/96/555617196.db2.gz AQCVBXXSOJKFQH-UHFFFAOYSA-N 0 0 451.035 5.956 40 0 JKABRN CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C(C)(C)C)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013777943 555617451 /nfs/dbraw/zinc/61/74/51/555617451.db2.gz CFBQIAMWYCHNHS-PKTNWEFCSA-N 0 0 498.623 6.214 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c2ccccc2)cc1 ZINC000020047227 555617520 /nfs/dbraw/zinc/61/75/20/555617520.db2.gz KBHHIWMBFRHMEW-MHZLTWQESA-N 0 0 470.594 5.624 40 0 JKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000020047241 555617595 /nfs/dbraw/zinc/61/75/95/555617595.db2.gz QIRPLOZNIYSHLY-HSZRJFAPSA-N 0 0 456.539 5.039 40 0 JKABRN Cc1[nH]c2ccccc2c1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013778648 555617728 /nfs/dbraw/zinc/61/77/28/555617728.db2.gz ZJLRIAFKGZDUFS-SGNDLWITSA-N 0 0 492.362 5.834 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000020048346 555618205 /nfs/dbraw/zinc/61/82/05/555618205.db2.gz YXSVRUAVDOOZCO-HSZRJFAPSA-N 0 0 471.022 5.420 40 0 JKABRN O=C(Nc1ccc(Br)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020048980 555618498 /nfs/dbraw/zinc/61/84/98/555618498.db2.gz RTKAFNUOFUUURD-UHFFFAOYSA-N 0 0 465.756 5.156 40 0 JKABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OCc5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000013786250 555618829 /nfs/dbraw/zinc/61/88/29/555618829.db2.gz PQWOEEQMSCRUAP-AWCRTANDSA-N 0 0 490.559 5.625 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1Cl ZINC000020049135 555618818 /nfs/dbraw/zinc/61/88/18/555618818.db2.gz XLOFRFCHTRXMCL-UHFFFAOYSA-N 0 0 486.977 5.187 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2)cc1 ZINC000020049956 555619298 /nfs/dbraw/zinc/61/92/98/555619298.db2.gz VCINLBASVGEBOX-UHFFFAOYSA-N 0 0 498.048 5.028 40 0 JKABRN COc1ccc(S[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1OC ZINC000020049875 555619409 /nfs/dbraw/zinc/61/94/09/555619409.db2.gz DVNIGHAIZRWSGN-CYBMUJFWSA-N 0 0 460.448 5.541 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000020050049 555619448 /nfs/dbraw/zinc/61/94/48/555619448.db2.gz JYTVCHCIAMAXJD-SANMLTNESA-N 0 0 480.630 5.281 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1 ZINC000020049914 555619450 /nfs/dbraw/zinc/61/94/50/555619450.db2.gz KBTLWUGPMCHKSG-UHFFFAOYSA-N 0 0 476.620 7.397 40 0 JKABRN Cc1ccccc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020050348 555619648 /nfs/dbraw/zinc/61/96/48/555619648.db2.gz QUIGEPLAOUXHNJ-HSZRJFAPSA-N 0 0 469.006 5.038 40 0 JKABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000010110329 555619916 /nfs/dbraw/zinc/61/99/16/555619916.db2.gz NNXQKFHUSYAHSM-UHFFFAOYSA-N 0 0 491.440 5.322 40 0 JKABRN CCOc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4Cl)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000013788396 555620112 /nfs/dbraw/zinc/62/01/12/555620112.db2.gz FPSDNMWJSNNGOE-VJBWXMMDSA-N 0 0 483.351 5.443 40 0 JKABRN Cc1ccc(CCCNC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000010110473 555620184 /nfs/dbraw/zinc/62/01/84/555620184.db2.gz WVCWFJACZSBFLT-UHFFFAOYSA-N 0 0 498.648 5.753 40 0 JKABRN Cc1cccc(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000010110669 555620562 /nfs/dbraw/zinc/62/05/62/555620562.db2.gz SHSYBYXLSPJVIS-UHFFFAOYSA-N 0 0 491.440 5.246 40 0 JKABRN Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000010110758 555620775 /nfs/dbraw/zinc/62/07/75/555620775.db2.gz LIWOPDOADITZKH-UHFFFAOYSA-N 0 0 450.604 5.084 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccc(C(C)C)cc2)cc1 ZINC000020059175 555622148 /nfs/dbraw/zinc/62/21/48/555622148.db2.gz SCNDIBJBEBCWHV-OAQYLSRUSA-N 0 0 450.604 5.191 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccc(C(C)C)cc2)cc1 ZINC000020059172 555622155 /nfs/dbraw/zinc/62/21/55/555622155.db2.gz SCNDIBJBEBCWHV-NRFANRHFSA-N 0 0 450.604 5.191 40 0 JKABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC(F)(F)F)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013804538 555622639 /nfs/dbraw/zinc/62/26/39/555622639.db2.gz CPVCJMVMLUVMEX-VJBWXMMDSA-N 0 0 498.457 5.035 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000010111830 555623123 /nfs/dbraw/zinc/62/31/23/555623123.db2.gz OIUMEQIUJYJVBW-HXUWFJFHSA-N 0 0 499.076 6.019 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000010111825 555623137 /nfs/dbraw/zinc/62/31/37/555623137.db2.gz DGIXVZRFOISRNC-FQEVSTJZSA-N 0 0 499.076 6.019 40 0 JKABRN C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111768 555623212 /nfs/dbraw/zinc/62/32/12/555623212.db2.gz SCVLISXUOTUMAI-PIIWDFAUSA-N 0 0 472.654 6.249 40 0 JKABRN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000010111823 555623226 /nfs/dbraw/zinc/62/32/26/555623226.db2.gz JQLMQZKYOHAFBV-NRFANRHFSA-N 0 0 494.657 5.374 40 0 JKABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000010111813 555623241 /nfs/dbraw/zinc/62/32/41/555623241.db2.gz QKTJPDNFYCFINM-NRFANRHFSA-N 0 0 494.657 5.456 40 0 JKABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1 ZINC000013807022 555623670 /nfs/dbraw/zinc/62/36/70/555623670.db2.gz CMEDXUQINCEJCE-VJGNERBWSA-N 0 0 464.496 5.544 40 0 JKABRN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000013806301 555623736 /nfs/dbraw/zinc/62/37/36/555623736.db2.gz QELXDQHSKNAKKE-ZNZIZOMTSA-N 0 0 490.531 5.064 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000010111978 555623834 /nfs/dbraw/zinc/62/38/34/555623834.db2.gz AIEZBWNLAPWAGL-LJQANCHMSA-N 0 0 450.604 5.584 40 0 JKABRN C[C@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010111961 555623836 /nfs/dbraw/zinc/62/38/36/555623836.db2.gz WZEGRLARAKRQEZ-NRFANRHFSA-N 0 0 494.657 5.207 40 0 JKABRN C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111943 555623843 /nfs/dbraw/zinc/62/38/43/555623843.db2.gz BMBYDQCIVXWKTQ-KCWXNJEJSA-N 0 0 486.681 6.292 40 0 JKABRN C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111987 555623866 /nfs/dbraw/zinc/62/38/66/555623866.db2.gz QPQPLKZITUUXGV-HFJWLAOPSA-N 0 0 462.615 5.842 40 0 JKABRN C[C@H](NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010111935 555623871 /nfs/dbraw/zinc/62/38/71/555623871.db2.gz OUBMWYDHDSLTIT-FQEVSTJZSA-N 0 0 464.631 5.441 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2cccc(C)c2)c2cc(C)cc(C)c2)cc1 ZINC000020061041 555623982 /nfs/dbraw/zinc/62/39/82/555623982.db2.gz LIIXDFSLEDLCNP-UHFFFAOYSA-N 0 0 496.698 5.165 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)cc1C ZINC000010112005 555624149 /nfs/dbraw/zinc/62/41/49/555624149.db2.gz HZRWZTSAVRODGQ-NRFANRHFSA-N 0 0 478.658 6.201 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2C)cc1 ZINC000010112031 555624211 /nfs/dbraw/zinc/62/42/11/555624211.db2.gz QQONAGHOLDYYBN-FQEVSTJZSA-N 0 0 464.631 5.893 40 0 JKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000020061283 555624516 /nfs/dbraw/zinc/62/45/16/555624516.db2.gz FTYHJMZQTDVMSK-UHFFFAOYSA-N 0 0 490.650 5.845 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OCC ZINC000010112639 555626046 /nfs/dbraw/zinc/62/60/46/555626046.db2.gz UPYPICGDXIGBJK-IBGZPJMESA-N 0 0 482.602 5.084 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000010119228 555629760 /nfs/dbraw/zinc/62/97/60/555629760.db2.gz PSYFOPGAYZODCR-UHFFFAOYSA-N 0 0 496.950 6.882 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn32)cc1 ZINC000010119235 555629780 /nfs/dbraw/zinc/62/97/80/555629780.db2.gz KXVGPNXEOKLBNM-UHFFFAOYSA-N 0 0 476.916 5.266 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)oc2c(Br)c1 ZINC000010119722 555630927 /nfs/dbraw/zinc/63/09/27/555630927.db2.gz PTJSCELOMJTXSC-UHFFFAOYSA-N 0 0 451.320 6.081 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(CC)cc(Br)c4o3)cc2)cc1Cl ZINC000010119732 555630943 /nfs/dbraw/zinc/63/09/43/555630943.db2.gz ZPXUXJRNYRKLBZ-UHFFFAOYSA-N 0 0 499.792 7.124 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)oc2c(Br)c1 ZINC000010119716 555630947 /nfs/dbraw/zinc/63/09/47/555630947.db2.gz SFMKVSPTEAZKES-UHFFFAOYSA-N 0 0 490.184 7.379 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)oc2c(Br)c1 ZINC000010119711 555630959 /nfs/dbraw/zinc/63/09/59/555630959.db2.gz KHIOBHLHHCPRJG-UHFFFAOYSA-N 0 0 455.739 6.725 40 0 JKABRN CCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(CC)cc(Br)c4o3)cc2)c1 ZINC000010119729 555631036 /nfs/dbraw/zinc/63/10/36/555631036.db2.gz QULCQKYRICMKLJ-UHFFFAOYSA-N 0 0 465.347 6.471 40 0 JKABRN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(CC)cc(Br)c4o3)cc2)c1 ZINC000010119738 555631242 /nfs/dbraw/zinc/63/12/42/555631242.db2.gz RVCBRHUKCOHRHG-UHFFFAOYSA-N 0 0 479.374 6.861 40 0 JKABRN CCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(CC)cc(Br)c4o3)cc2)cc1 ZINC000010119800 555631466 /nfs/dbraw/zinc/63/14/66/555631466.db2.gz IXSNLPZEHZTRHM-UHFFFAOYSA-N 0 0 479.374 6.400 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)oc2c(Br)c1 ZINC000010119811 555631470 /nfs/dbraw/zinc/63/14/70/555631470.db2.gz UPPZYRJMRCNVLP-UHFFFAOYSA-N 0 0 485.765 6.491 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)COc4ccc(C)cc4C)cc3)oc2c(Br)c1 ZINC000010119805 555631503 /nfs/dbraw/zinc/63/15/03/555631503.db2.gz QKCINIQFWJXTCR-UHFFFAOYSA-N 0 0 479.374 6.454 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)oc2c(Br)c1 ZINC000010119817 555631527 /nfs/dbraw/zinc/63/15/27/555631527.db2.gz RXUCYPLKKQVQGN-UHFFFAOYSA-N 0 0 493.445 7.365 40 0 JKABRN CCc1cc2nc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)oc2c(Br)c1 ZINC000010119799 555631553 /nfs/dbraw/zinc/63/15/53/555631553.db2.gz NDWWDIJDQWNPJR-UHFFFAOYSA-N 0 0 465.347 6.146 40 0 JKABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000010119902 555631749 /nfs/dbraw/zinc/63/17/49/555631749.db2.gz IDGUAGCMUGGZIG-UHFFFAOYSA-N 0 0 476.370 5.635 40 0 JKABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000010119952 555631762 /nfs/dbraw/zinc/63/17/62/555631762.db2.gz WBIRJCGYZASDBN-UHFFFAOYSA-N 0 0 486.340 5.681 40 0 JKABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc2c(Br)cccc12 ZINC000010119915 555631818 /nfs/dbraw/zinc/63/18/18/555631818.db2.gz BISIGHMOXIDZFU-UHFFFAOYSA-N 0 0 480.347 5.029 40 0 JKABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2CC)cc1 ZINC000013842235 555631817 /nfs/dbraw/zinc/63/18/17/555631817.db2.gz MGPITDTWYKGOLC-UHFFFAOYSA-N 0 0 465.406 5.477 40 0 JKABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2CC)cc1 ZINC000013842233 555631823 /nfs/dbraw/zinc/63/18/23/555631823.db2.gz LOAVNXLZYYKPLC-UHFFFAOYSA-N 0 0 465.406 5.477 40 0 JKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(I)cc1 ZINC000010120043 555631943 /nfs/dbraw/zinc/63/19/43/555631943.db2.gz RHKIGBLZFDNHNM-UHFFFAOYSA-N 0 0 454.267 5.276 40 0 JKABRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120100 555632062 /nfs/dbraw/zinc/63/20/62/555632062.db2.gz HZXUUYHSLLYNKR-SDNWHVSQSA-N 0 0 489.358 7.637 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc(OC)c1OC ZINC000010120169 555632335 /nfs/dbraw/zinc/63/23/35/555632335.db2.gz ZRRSKQZFTKMPAZ-UHFFFAOYSA-N 0 0 473.312 6.080 40 0 JKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 ZINC000010120236 555632606 /nfs/dbraw/zinc/63/26/06/555632606.db2.gz VYVSDJLPRGNNTG-UHFFFAOYSA-N 0 0 484.508 5.935 40 0 JKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)c1 ZINC000010120259 555632610 /nfs/dbraw/zinc/63/26/10/555632610.db2.gz REOQWLMQVSXVQU-INIZCTEOSA-N 0 0 476.529 5.950 40 0 JKABRN COc1cc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc(OC)c1OC ZINC000010120279 555632895 /nfs/dbraw/zinc/63/28/95/555632895.db2.gz KULXJWQRQBJQMT-UHFFFAOYSA-N 0 0 468.893 5.192 40 0 JKABRN Fc1ccc([C@H](c2nnnn2C2CCCCC2)N(Cc2cccs2)Cc2ccccc2)cc1 ZINC000020098733 555633068 /nfs/dbraw/zinc/63/30/68/555633068.db2.gz AZTYYGMDTOFYPI-RUZDIDTESA-N 0 0 461.610 6.171 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NCc3ccc(-c4nc5cc(C)c(C)cc5o4)cc3)o2)cc1Cl ZINC000010120414 555633076 /nfs/dbraw/zinc/63/30/76/555633076.db2.gz WNSJWZRQRGDLHX-ACCUITESSA-N 0 0 496.994 7.663 40 0 JKABRN Clc1cccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3ccc4ncccc4c3)CC2)c1 ZINC000020098419 555633107 /nfs/dbraw/zinc/63/31/07/555633107.db2.gz QYXWTSFNJZQMTQ-AREMUKBSSA-N 0 0 488.039 5.292 40 0 JKABRN Clc1ccc([C@H](c2nnnn2C2CCCCC2)N(Cc2ccccc2)Cc2cccnc2)cc1 ZINC000020098684 555633144 /nfs/dbraw/zinc/63/31/44/555633144.db2.gz AZCFLUFAGSHHQQ-AREMUKBSSA-N 0 0 473.024 6.019 40 0 JKABRN Cc1cc2nc(-c3ccc(CNC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3)oc2cc1C ZINC000010120442 555633167 /nfs/dbraw/zinc/63/31/67/555633167.db2.gz HBGQMVAZHGHXQX-UHFFFAOYSA-N 0 0 493.401 6.348 40 0 JKABRN Clc1ccc([C@@H](c2nnnn2C2CCCCC2)N(Cc2ccccc2)Cc2cccnc2)cc1 ZINC000020098686 555633152 /nfs/dbraw/zinc/63/31/52/555633152.db2.gz AZCFLUFAGSHHQQ-SANMLTNESA-N 0 0 473.024 6.019 40 0 JKABRN CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1cccnc1)Cc1ccccc1Cl ZINC000020098697 555633166 /nfs/dbraw/zinc/63/31/66/555633166.db2.gz BHRDJGZWRNNORC-NRFANRHFSA-N 0 0 453.015 5.330 40 0 JKABRN Clc1ccc(CN(Cc2ccccc2)[C@H](c2cccs2)c2nnnn2C2CCCC2)cc1 ZINC000020098665 555633175 /nfs/dbraw/zinc/63/31/75/555633175.db2.gz ZSDGNRIOOWGFQX-XMMPIXPASA-N 0 0 464.038 6.295 40 0 JKABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3ccc4ncccc4c3)CC2)c1 ZINC000020098447 555633225 /nfs/dbraw/zinc/63/32/25/555633225.db2.gz NTNWWGYIIJQCBX-MUUNZHRXSA-N 0 0 481.648 5.255 40 0 JKABRN Clc1ccc([C@@H](c2nnnn2C2CCCC2)N(Cc2cccs2)Cc2ccccc2)cc1 ZINC000020098740 555633516 /nfs/dbraw/zinc/63/35/16/555633516.db2.gz RQBLOCWUHIMPPL-DEOSSOPVSA-N 0 0 464.038 6.295 40 0 JKABRN O=C(Nc1cccc(Cl)c1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128675 555634399 /nfs/dbraw/zinc/63/43/99/555634399.db2.gz YPXSQABXXRKDBG-LJQANCHMSA-N 0 0 483.804 5.175 40 0 JKABRN 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WAKMDVHSNBOJBS-UHFFFAOYSA-N 0 0 466.559 5.005 40 0 JKABRN Cc1cc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)ccc1Br ZINC000010331631 555687998 /nfs/dbraw/zinc/68/79/98/555687998.db2.gz CKUKYQYZWZOWLH-UHFFFAOYSA-N 0 0 491.382 5.115 40 0 JKABRN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010331520 555688078 /nfs/dbraw/zinc/68/80/78/555688078.db2.gz AJEPQWJOTOILCU-MRXNPFEDSA-N 0 0 491.034 5.293 40 0 JKABRN O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000010332041 555688351 /nfs/dbraw/zinc/68/83/51/555688351.db2.gz LFNARYKHVJJWFP-UHFFFAOYSA-N 0 0 450.947 5.475 40 0 JKABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010332561 555688609 /nfs/dbraw/zinc/68/86/09/555688609.db2.gz OZNCJMGYMHULQD-UHFFFAOYSA-N 0 0 495.453 5.457 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1)c1cccc(Cl)c1Cl ZINC000010333290 555688880 /nfs/dbraw/zinc/68/88/80/555688880.db2.gz LGMMGMCDXURBEF-UHFFFAOYSA-N 0 0 485.339 5.490 40 0 JKABRN Cc1ccc(CSCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010333119 555688898 /nfs/dbraw/zinc/68/88/98/555688898.db2.gz BHKKGLQYDPHZEE-UHFFFAOYSA-N 0 0 468.644 5.076 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCSCc3cccc(Cl)c3)c2C)cc1 ZINC000010333434 555689107 /nfs/dbraw/zinc/68/91/07/555689107.db2.gz UMIRQYRUJLMHTG-UHFFFAOYSA-N 0 0 489.062 5.421 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000010333503 555689164 /nfs/dbraw/zinc/68/91/64/555689164.db2.gz APKFEMVVSRQJOW-UHFFFAOYSA-N 0 0 488.584 5.311 40 0 JKABRN CC(C)c1ccccc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010334616 555689749 /nfs/dbraw/zinc/68/97/49/555689749.db2.gz CDYFGDQOGGMAID-UHFFFAOYSA-N 0 0 456.995 5.682 40 0 JKABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O ZINC000010334688 555689793 /nfs/dbraw/zinc/68/97/93/555689793.db2.gz DLZDNSVRHUFPGB-UHFFFAOYSA-N 0 0 489.062 5.985 40 0 JKABRN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000010334603 555689824 /nfs/dbraw/zinc/68/98/24/555689824.db2.gz BCYHRKWGMZXWKM-UHFFFAOYSA-N 0 0 496.938 6.039 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)NC2CCCCCCC2)cc1)c1cccc(Cl)c1Cl ZINC000010335736 555690763 /nfs/dbraw/zinc/69/07/63/555690763.db2.gz ZFRBKAOUEBAXTL-UHFFFAOYSA-N 0 0 483.461 5.802 40 0 JKABRN Cc1ccc(N(CCCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1C ZINC000010336196 555691258 /nfs/dbraw/zinc/69/12/58/555691258.db2.gz JQSFSIINNCPXJN-UHFFFAOYSA-N 0 0 487.021 5.934 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1SCc1ccccc1 ZINC000010336384 555691307 /nfs/dbraw/zinc/69/13/07/555691307.db2.gz OPBMJQZJYVKMHG-UHFFFAOYSA-N 0 0 474.607 6.032 40 0 JKABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NC2CCCCCCC2)cc1 ZINC000010336798 555691588 /nfs/dbraw/zinc/69/15/88/555691588.db2.gz ZPCXELBXAZLIQO-UHFFFAOYSA-N 0 0 483.461 5.802 40 0 JKABRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(COc4cc(C)ccc4C)n3C)n2)cc1 ZINC000014116968 555692414 /nfs/dbraw/zinc/69/24/14/555692414.db2.gz YVNMSUKTHVSZLK-UHFFFAOYSA-N 0 0 479.631 5.174 40 0 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JKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2C)cc1 ZINC000010360586 555696802 /nfs/dbraw/zinc/69/68/02/555696802.db2.gz NMISSUWLSTVMDD-UHFFFAOYSA-N 0 0 484.621 5.947 40 0 JKABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000014126520 555697030 /nfs/dbraw/zinc/69/70/30/555697030.db2.gz ZNHVTXGNMHEXML-UHFFFAOYSA-N 0 0 465.406 5.531 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1)c1cccc(Cl)c1 ZINC000010362691 555697058 /nfs/dbraw/zinc/69/70/58/555697058.db2.gz SYDBJNTUMXXWJX-UHFFFAOYSA-N 0 0 482.911 5.577 40 0 JKABRN CCOc1ccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000010361943 555697099 /nfs/dbraw/zinc/69/70/99/555697099.db2.gz SZRRTWZYHSGJGU-UHFFFAOYSA-N 0 0 493.412 5.611 40 0 JKABRN CC(C)c1ccc(NC(=O)CSc2nnc(COc3ccc(Br)cc3)n2C)cc1 ZINC000014127027 555697267 /nfs/dbraw/zinc/69/72/67/555697267.db2.gz INUKUNCYPZIMRI-UHFFFAOYSA-N 0 0 475.412 5.011 40 0 JKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 ZINC000010364952 555697595 /nfs/dbraw/zinc/69/75/95/555697595.db2.gz GLERTDTYGWDSDF-UHFFFAOYSA-N 0 0 450.604 5.799 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)c1cccc(Cl)c1Cl ZINC000010364426 555697646 /nfs/dbraw/zinc/69/76/46/555697646.db2.gz AKYQEOVRVDRIMO-UHFFFAOYSA-N 0 0 499.419 6.365 40 0 JKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)S(C)(=O)=O)c1 ZINC000010364443 555697683 /nfs/dbraw/zinc/69/76/83/555697683.db2.gz RPTUKQKSZSQNFD-UHFFFAOYSA-N 0 0 462.493 5.232 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000010366047 555697932 /nfs/dbraw/zinc/69/79/32/555697932.db2.gz QHSFMJGLAOEWOI-UHFFFAOYSA-N 0 0 467.349 5.351 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)cc1 ZINC000010366821 555698170 /nfs/dbraw/zinc/69/81/70/555698170.db2.gz CSSXNCNICMGLMJ-UHFFFAOYSA-N 0 0 452.576 5.191 40 0 JKABRN COc1ccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000010366544 555698221 /nfs/dbraw/zinc/69/82/21/555698221.db2.gz KAYCXQGWDLYQKY-UHFFFAOYSA-N 0 0 479.385 5.221 40 0 JKABRN Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010367083 555698241 /nfs/dbraw/zinc/69/82/41/555698241.db2.gz RJJVLQQNARVCPS-UHFFFAOYSA-N 0 0 458.539 5.840 40 0 JKABRN Cc1ccc(C)c(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000010367217 555698458 /nfs/dbraw/zinc/69/84/58/555698458.db2.gz PFLBHEWFCIAZQK-UHFFFAOYSA-N 0 0 477.413 5.829 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCSCc3ccc(Cl)cc3)c2C)cc1 ZINC000010367281 555698592 /nfs/dbraw/zinc/69/85/92/555698592.db2.gz HLPRLACUWNGVDD-UHFFFAOYSA-N 0 0 489.062 5.421 40 0 JKABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O ZINC000010371621 555699964 /nfs/dbraw/zinc/69/99/64/555699964.db2.gz SRFSLULNEWCVSY-QGZVFWFLSA-N 0 0 475.035 5.593 40 0 JKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1cccc2ccccc21 ZINC000014132420 555699996 /nfs/dbraw/zinc/69/99/96/555699996.db2.gz UXRWGXKVAUGRKR-WGOQTCKBSA-N 0 0 485.992 7.309 40 0 JKABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O ZINC000010371618 555700018 /nfs/dbraw/zinc/70/00/18/555700018.db2.gz SRFSLULNEWCVSY-KRWDZBQOSA-N 0 0 475.035 5.593 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCSC2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000010371871 555700037 /nfs/dbraw/zinc/70/00/37/555700037.db2.gz RVWNOSUHKRLENT-UHFFFAOYSA-N 0 0 481.083 5.102 40 0 JKABRN COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1Br ZINC000014131993 555700052 /nfs/dbraw/zinc/70/00/52/555700052.db2.gz NIBAVTIUOMRILQ-UDWIEESQSA-N 0 0 454.345 5.847 40 0 JKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000010372238 555700226 /nfs/dbraw/zinc/70/02/26/555700226.db2.gz RIVDKYOQKGZGLI-UHFFFAOYSA-N 0 0 454.567 5.495 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)cc1 ZINC000010372224 555700290 /nfs/dbraw/zinc/70/02/90/555700290.db2.gz GLMDNEFWNXCULN-UHFFFAOYSA-N 0 0 466.603 5.581 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Br)c(Cl)c3)c2)cc1 ZINC000010372471 555700587 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O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(OCc2ccccc2)c1 ZINC000014269508 555759172 /nfs/dbraw/zinc/75/91/72/555759172.db2.gz LWLWFGYASOOEGG-UHFFFAOYSA-N 0 0 464.896 6.065 40 0 JKABRN CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000014269468 555759208 /nfs/dbraw/zinc/75/92/08/555759208.db2.gz NMCXCVMFHJRKDJ-UHFFFAOYSA-N 0 0 463.584 5.401 40 0 JKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000011115027 555759795 /nfs/dbraw/zinc/75/97/95/555759795.db2.gz SVDXQQFSEAOXSG-WOJBJXKFSA-N 0 0 481.927 5.875 40 0 JKABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000014269653 555759836 /nfs/dbraw/zinc/75/98/36/555759836.db2.gz RMOFAFMPCXLHJR-UHFFFAOYSA-N 0 0 467.388 5.464 40 0 JKABRN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(C)c4OC)c3)nc2c1 ZINC000014269703 555760078 /nfs/dbraw/zinc/76/00/78/555760078.db2.gz AGFBSNFPHSRXSS-UHFFFAOYSA-N 0 0 459.571 5.809 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C ZINC000014269707 555760129 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ZWUVWGWESCQRJD-UHFFFAOYSA-N 0 0 465.962 5.526 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3O)oc2c1 ZINC000014270235 555761779 /nfs/dbraw/zinc/76/17/79/555761779.db2.gz BJFOCBIGLPOKCJ-UHFFFAOYSA-N 0 0 451.935 5.597 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000014270283 555761838 /nfs/dbraw/zinc/76/18/38/555761838.db2.gz BQQASVULOAXTCI-UHFFFAOYSA-N 0 0 461.543 5.343 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)ccc3O)oc2c1 ZINC000014270254 555761898 /nfs/dbraw/zinc/76/18/98/555761898.db2.gz MBURZHFJDNHSID-UHFFFAOYSA-N 0 0 461.543 5.423 40 0 JKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)ccc3O)oc2c(C)c1 ZINC000014270287 555761925 /nfs/dbraw/zinc/76/19/25/555761925.db2.gz CEYWVPDXZVTTJV-UHFFFAOYSA-N 0 0 459.571 6.067 40 0 JKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3O)oc2c(C)c1 ZINC000014270276 555761954 /nfs/dbraw/zinc/76/19/54/555761954.db2.gz WLQIIDODQCBCRI-UHFFFAOYSA-N 0 0 451.935 5.597 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)ccc3O)oc2c1 ZINC000014270269 555761962 /nfs/dbraw/zinc/76/19/62/555761962.db2.gz VHRCDRPCRHLKCG-VZUCSPMQSA-N 0 0 463.946 5.689 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)ccc3O)oc2c1 ZINC000014270237 555762013 /nfs/dbraw/zinc/76/20/13/555762013.db2.gz MPTRZYNNSICXHA-UHFFFAOYSA-N 0 0 472.353 5.942 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(Cl)ccc4o3)c2)cc1Cl ZINC000014270314 555762331 /nfs/dbraw/zinc/76/23/31/555762331.db2.gz ZVHJTZUNQCAPLE-UHFFFAOYSA-N 0 0 472.353 5.942 40 0 JKABRN Cc1c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cccc1-c1nc2ncccc2o1 ZINC000014270427 555762570 /nfs/dbraw/zinc/76/25/70/555762570.db2.gz IGEFMLCUZZSTDA-UHFFFAOYSA-N 0 0 457.342 5.632 40 0 JKABRN Cc1ccccc1C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000014270457 555762653 /nfs/dbraw/zinc/76/26/53/555762653.db2.gz CIHZUHYOHYNKAY-UHFFFAOYSA-N 0 0 472.422 6.705 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1 ZINC000014270543 555762795 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40 0 JKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl ZINC000014270760 555763637 /nfs/dbraw/zinc/76/36/37/555763637.db2.gz AUXDGBCTMNKVRB-UHFFFAOYSA-N 0 0 460.795 5.700 40 0 JKABRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(-c2ccccc2)cc1 ZINC000014270790 555763877 /nfs/dbraw/zinc/76/38/77/555763877.db2.gz WUSMNMWWLTXSSK-UHFFFAOYSA-N 0 0 458.395 6.397 40 0 JKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)C=Cc3ccc(-c4ccc(Cl)cc4)o3)nc21 ZINC000014270821 555763907 /nfs/dbraw/zinc/76/39/07/555763907.db2.gz VMYQRUQIWPSMRL-ZRDIBKRKSA-N 0 0 468.003 6.353 40 0 JKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc5ccccc5c4)ccc3o2)c1 ZINC000014270876 555764122 /nfs/dbraw/zinc/76/41/22/555764122.db2.gz RYZATXRDLVLLNR-UHFFFAOYSA-N 0 0 451.551 6.392 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1Cl ZINC000014270863 555764153 /nfs/dbraw/zinc/76/41/53/555764153.db2.gz RATVEHVDWZWSCL-UHFFFAOYSA-N 0 0 465.962 5.900 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000014270912 555764181 /nfs/dbraw/zinc/76/41/81/555764181.db2.gz FWQNILHCJDUDAZ-LHHJGKSTSA-N 0 0 459.550 5.209 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 ZINC000014270977 555764336 /nfs/dbraw/zinc/76/43/36/555764336.db2.gz REQHYUKIZRCXBO-NYYWCZLTSA-N 0 0 465.941 5.048 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000014270975 555764339 /nfs/dbraw/zinc/76/43/39/555764339.db2.gz NBJZYIYNJULOGF-UHFFFAOYSA-N 0 0 455.518 5.148 40 0 JKABRN Cc1ccccc1OCC(=O)NC(=S)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000014270949 555764390 /nfs/dbraw/zinc/76/43/90/555764390.db2.gz ANFNTIHELDZHIM-UHFFFAOYSA-N 0 0 473.602 5.053 40 0 JKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)C=Cc1ccccc1 ZINC000014270947 555764409 /nfs/dbraw/zinc/76/44/09/555764409.db2.gz RNWXZOCFLOSJKA-NTEUORMPSA-N 0 0 455.587 5.379 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(I)cc2F)cc1 ZINC000014271051 555764673 /nfs/dbraw/zinc/76/46/73/555764673.db2.gz VUXIKIDPVRSUCT-BJMVGYQFSA-N 0 0 468.335 5.080 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ZINC000014272156 555769075 /nfs/dbraw/zinc/76/90/75/555769075.db2.gz HZZGBTFAMXWCQH-UHFFFAOYSA-N 0 0 455.341 7.233 40 0 JKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c3)oc2c1 ZINC000014272211 555769091 /nfs/dbraw/zinc/76/90/91/555769091.db2.gz HQPCTAHZBVIPGG-WEVVVXLNSA-N 0 0 457.744 7.415 40 0 JKABRN O=C(COc1cccc2ccccc21)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000014272148 555769100 /nfs/dbraw/zinc/76/91/00/555769100.db2.gz LZFYWAVRAZPVMV-UHFFFAOYSA-N 0 0 463.320 6.972 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000014272272 555769416 /nfs/dbraw/zinc/76/94/16/555769416.db2.gz IAFAYRYDRKLJSM-JQIJEIRASA-N 0 0 454.913 6.738 40 0 JKABRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000014272264 555769423 /nfs/dbraw/zinc/76/94/23/555769423.db2.gz DVCHEVMPYJQHIG-UHFFFAOYSA-N 0 0 463.320 6.992 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3)nc2c1 ZINC000014272253 555769427 /nfs/dbraw/zinc/76/94/27/555769427.db2.gz 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COc1ccc(-c2csc(NC(=O)c3cc(Br)ccc3Cl)n2)cc1OC ZINC000014272487 555769994 /nfs/dbraw/zinc/76/99/94/555769994.db2.gz QBOUPXMYGBGPAT-UHFFFAOYSA-N 0 0 453.745 5.496 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)cc4)cc3)nc2c1 ZINC000020314148 555770066 /nfs/dbraw/zinc/77/00/66/555770066.db2.gz WAVCTBFXPSYETB-INIZCTEOSA-N 0 0 459.571 6.144 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4OC)cc3)nc2c1 ZINC000020314125 555770072 /nfs/dbraw/zinc/77/00/72/555770072.db2.gz KNCPDYJWCSDUBL-MRXNPFEDSA-N 0 0 459.571 6.144 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4OC)cc3)nc2c1 ZINC000020314129 555770079 /nfs/dbraw/zinc/77/00/79/555770079.db2.gz KNCPDYJWCSDUBL-INIZCTEOSA-N 0 0 459.571 6.144 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000020317191 555770166 /nfs/dbraw/zinc/77/01/66/555770166.db2.gz XWVURXHGEGAOMH-UFWORHAWSA-N 0 0 478.614 5.836 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3)nc2c1 ZINC000020314176 555770201 /nfs/dbraw/zinc/77/02/01/555770201.db2.gz URSCYGPISVEIJP-SFHVURJKSA-N 0 0 471.626 7.259 40 0 JKABRN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)n2)cc1 ZINC000014272499 555770206 /nfs/dbraw/zinc/77/02/06/555770206.db2.gz QGLXXBWYAPIOIG-ZRDIBKRKSA-N 0 0 471.365 7.037 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000014272596 555770493 /nfs/dbraw/zinc/77/04/93/555770493.db2.gz ALFCZVCDISDMDG-UHFFFAOYSA-N 0 0 460.961 7.213 40 0 JKABRN COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)c(F)c1F ZINC000014272621 555770505 /nfs/dbraw/zinc/77/05/05/555770505.db2.gz KMLIENVVXZURGI-UHFFFAOYSA-N 0 0 464.802 6.274 40 0 JKABRN CC(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1 ZINC000014272588 555770533 /nfs/dbraw/zinc/77/05/33/555770533.db2.gz BPKPZWOGMYXSCT-UHFFFAOYSA-N 0 0 462.549 7.303 40 0 JKABRN COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c(F)c1F ZINC000014272605 555770541 /nfs/dbraw/zinc/77/05/41/555770541.db2.gz 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O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(Br)cc1Cl ZINC000014272978 555771630 /nfs/dbraw/zinc/77/16/30/555771630.db2.gz XYNRQLSMLKSKGV-RMKNXTFCSA-N 0 0 471.565 7.321 40 0 JKABRN Cc1cc(Br)ccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014272907 555771636 /nfs/dbraw/zinc/77/16/36/555771636.db2.gz AKQWEQOKABCXCA-WEVVVXLNSA-N 0 0 451.147 6.976 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000014273017 555771934 /nfs/dbraw/zinc/77/19/34/555771934.db2.gz VNRABJCJISBMGP-UHFFFAOYSA-N 0 0 471.384 6.804 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1OC ZINC000014273048 555771945 /nfs/dbraw/zinc/77/19/45/555771945.db2.gz ASMFZVNTNUGXHU-UHFFFAOYSA-N 0 0 461.345 6.643 40 0 JKABRN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014273140 555772127 /nfs/dbraw/zinc/77/21/27/555772127.db2.gz TWSSNDQRGQEFIB-UHFFFAOYSA-N 0 0 451.737 5.996 40 0 JKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000014273112 555772148 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ZINC000014273491 555773264 /nfs/dbraw/zinc/77/32/64/555773264.db2.gz PHQSEPSWRXYUSE-UHFFFAOYSA-N 0 0 472.372 5.564 40 0 JKABRN CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000014273484 555773316 /nfs/dbraw/zinc/77/33/16/555773316.db2.gz OILYQESWICTZGP-UHFFFAOYSA-N 0 0 458.345 5.174 40 0 JKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000014273702 555774265 /nfs/dbraw/zinc/77/42/65/555774265.db2.gz RJZXSQHCBJXWOR-DPCFLFMUSA-N 0 0 455.385 7.284 40 0 JKABRN C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000014273704 555774274 /nfs/dbraw/zinc/77/42/74/555774274.db2.gz RJZXSQHCBJXWOR-JICACKBISA-N 0 0 455.385 7.284 40 0 JKABRN CC1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2Cl)CC1 ZINC000014273675 555774279 /nfs/dbraw/zinc/77/42/79/555774279.db2.gz ZDCNGYROMZVRCE-UHFFFAOYSA-N 0 0 454.739 5.433 40 0 JKABRN CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000014273805 555774586 /nfs/dbraw/zinc/77/45/86/555774586.db2.gz CXZGJORZEBBVOM-UHFFFAOYSA-N 0 0 498.435 6.730 40 0 JKABRN O=C(Nc1cccc(NC(=S)NC(=O)c2cccc(Br)c2)c1)c1cc2ccccc2o1 ZINC000014273837 555774812 /nfs/dbraw/zinc/77/48/12/555774812.db2.gz FQTLWNAEBFPXJQ-UHFFFAOYSA-N 0 0 494.370 5.574 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1OC ZINC000014273852 555774858 /nfs/dbraw/zinc/77/48/58/555774858.db2.gz COPSHUVGBAMVPQ-UHFFFAOYSA-N 0 0 489.553 5.138 40 0 JKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(-c2cc3ccccc3oc2=O)ccc1C ZINC000014273980 555775362 /nfs/dbraw/zinc/77/53/62/555775362.db2.gz USIGRYAJONJMFX-UHFFFAOYSA-N 0 0 494.572 6.057 40 0 JKABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000014274013 555775371 /nfs/dbraw/zinc/77/53/71/555775371.db2.gz GYIXCPOTPWXGCT-NTEUORMPSA-N 0 0 485.565 5.529 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000020330135 555775486 /nfs/dbraw/zinc/77/54/86/555775486.db2.gz JJASVAWNIXZKAL-HSZRJFAPSA-N 0 0 488.993 5.336 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccc(C)c(C)c3)cc2)cc1 ZINC000020329583 555775505 /nfs/dbraw/zinc/77/55/05/555775505.db2.gz LCHMBJRLMWIRHJ-VWLOTQADSA-N 0 0 482.602 5.299 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc2c(Br)cccc12 ZINC000014274055 555775636 /nfs/dbraw/zinc/77/56/36/555775636.db2.gz JIEPWXZJWXFZQE-UHFFFAOYSA-N 0 0 487.728 6.401 40 0 JKABRN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)nc2c1 ZINC000014274077 555775667 /nfs/dbraw/zinc/77/56/67/555775667.db2.gz NHYRJKFNSOEOMO-UHFFFAOYSA-N 0 0 479.945 5.355 40 0 JKABRN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OCc5ccccc5)cc4)c3)nc2c1 ZINC000014274152 555775937 /nfs/dbraw/zinc/77/59/37/555775937.db2.gz PRUMBGGHNTXMHZ-UHFFFAOYSA-N 0 0 493.588 6.509 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(OCc2ccccc2)c1 ZINC000014274208 555775988 /nfs/dbraw/zinc/77/59/88/555775988.db2.gz BCUYTNZWZWKBJV-UHFFFAOYSA-N 0 0 480.549 5.596 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000014274142 555775989 /nfs/dbraw/zinc/77/59/89/555775989.db2.gz ZRXOKHNNYVLECQ-UHFFFAOYSA-N 0 0 495.629 6.669 40 0 JKABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000014274135 555775998 /nfs/dbraw/zinc/77/59/98/555775998.db2.gz YSUMZDNVOMKQQY-UHFFFAOYSA-N 0 0 499.423 6.311 40 0 JKABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(F)(F)F ZINC000014274482 555776686 /nfs/dbraw/zinc/77/66/86/555776686.db2.gz MUTAQGISYBURSY-UHFFFAOYSA-N 0 0 481.721 5.565 40 0 JKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cccc(C)c4OC)c3)nc2c1 ZINC000014274500 555776714 /nfs/dbraw/zinc/77/67/14/555776714.db2.gz OXBJTBCKSKQPOO-UHFFFAOYSA-N 0 0 479.989 6.154 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000014274460 555776796 /nfs/dbraw/zinc/77/67/96/555776796.db2.gz VLWQKLSCHLNURG-UHFFFAOYSA-N 0 0 489.553 5.138 40 0 JKABRN CCOC(=O)c1sc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)nc1C ZINC000014274527 555777120 /nfs/dbraw/zinc/77/71/20/555777120.db2.gz UNCPOBYEONDHSB-PKNBQFBNSA-N 0 0 475.979 5.068 40 0 JKABRN Cc1c(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000014274594 555777304 /nfs/dbraw/zinc/77/73/04/555777304.db2.gz GMWILTVJQLMAAE-UHFFFAOYSA-N 0 0 494.060 6.876 40 0 JKABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000014274600 555777350 /nfs/dbraw/zinc/77/73/50/555777350.db2.gz CQHKCOBULMJXKK-UHFFFAOYSA-N 0 0 486.637 6.188 40 0 JKABRN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n2)cc1 ZINC000011398041 555777314 /nfs/dbraw/zinc/77/73/14/555777314.db2.gz VENXAOLHPHEIHI-UHFFFAOYSA-N 0 0 480.442 5.725 40 0 JKABRN COc1ccc(OC)c(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000011397697 555777357 /nfs/dbraw/zinc/77/73/57/555777357.db2.gz FKYVAAVZBDNRDU-UHFFFAOYSA-N 0 0 456.498 5.023 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cccc5ccccc54)cc3)nc2c1 ZINC000020342440 555777553 /nfs/dbraw/zinc/77/75/53/555777553.db2.gz VGNUWPDBBCPDIF-IBGZPJMESA-N 0 0 450.538 7.179 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc2c1 ZINC000020342419 555777569 /nfs/dbraw/zinc/77/75/69/555777569.db2.gz VIOBPSPWSCWIQH-NRFANRHFSA-N 0 0 460.577 7.779 40 0 JKABRN O=C(NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1cccc2c(Cl)cccc12 ZINC000014274649 555777599 /nfs/dbraw/zinc/77/75/99/555777599.db2.gz BMJXVXBENNCXMW-UHFFFAOYSA-N 0 0 494.403 6.526 40 0 JKABRN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000014274778 555777899 /nfs/dbraw/zinc/77/78/99/555777899.db2.gz XBWPEDIZTUCCHW-UHFFFAOYSA-N 0 0 497.831 7.037 40 0 JKABRN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014274779 555777932 /nfs/dbraw/zinc/77/79/32/555777932.db2.gz SAOUCIJFHAWYEJ-UHFFFAOYSA-N 0 0 494.831 6.634 40 0 JKABRN C[C@@H](NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000014274796 555777962 /nfs/dbraw/zinc/77/79/62/555777962.db2.gz MPSNXDXXGYBGSD-LYTYMJBXSA-N 0 0 477.457 6.463 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccccc1Br ZINC000014274822 555778148 /nfs/dbraw/zinc/77/81/48/555778148.db2.gz WVINDZHXJDZBRR-UHFFFAOYSA-N 0 0 494.208 5.500 40 0 JKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c(F)c1F ZINC000014274877 555778152 /nfs/dbraw/zinc/77/81/52/555778152.db2.gz HXEQCLLVHJVSQG-UHFFFAOYSA-N 0 0 475.423 5.187 40 0 JKABRN COc1c(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc2ccccc2c1Br ZINC000014274819 555778217 /nfs/dbraw/zinc/77/82/17/555778217.db2.gz SRLDWRUFGCEQPK-UHFFFAOYSA-N 0 0 484.202 6.045 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(Br)cn1 ZINC000014274995 555778903 /nfs/dbraw/zinc/77/89/03/555778903.db2.gz OXSVZCSVMRHMEG-ZZXKWVIFSA-N 0 0 497.201 5.937 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000014274993 555778927 /nfs/dbraw/zinc/77/89/27/555778927.db2.gz XIKCFLAINXWHIB-FNORWQNLSA-N 0 0 485.314 6.799 40 0 JKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4Br)cc3O)nc2c1 ZINC000014275068 555779295 /nfs/dbraw/zinc/77/92/95/555779295.db2.gz FGXFCOCNAGAESG-UHFFFAOYSA-N 0 0 496.386 5.652 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c(O)c2)cc1 ZINC000014275075 555779304 /nfs/dbraw/zinc/77/93/04/555779304.db2.gz VIBYXMUUAGMTAG-UHFFFAOYSA-N 0 0 475.570 5.678 40 0 JKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 ZINC000014275059 555779335 /nfs/dbraw/zinc/77/93/35/555779335.db2.gz HBUIYGYIJDPZKA-UHFFFAOYSA-N 0 0 497.576 6.106 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1cc(Cl)ccc1Cl ZINC000014275093 555779375 /nfs/dbraw/zinc/77/93/75/555779375.db2.gz GFQNJAPXUCIJBL-UHFFFAOYSA-N 0 0 492.771 6.287 40 0 JKABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)cc(-c2nc3ccccc3o2)c1O ZINC000014275112 555779410 /nfs/dbraw/zinc/77/94/10/555779410.db2.gz PIFRJCFXSDDYGZ-VQHVLOKHSA-N 0 0 498.391 6.342 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc(-c2nc3ccccc3o2)c1O ZINC000014275111 555779417 /nfs/dbraw/zinc/77/94/17/555779417.db2.gz JSLNVUOVPLVTGZ-UHFFFAOYSA-N 0 0 479.561 6.303 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc(-c2nc3ccccc3s2)c1O ZINC000014275099 555779434 /nfs/dbraw/zinc/77/94/34/555779434.db2.gz ALHQWMFTSGSVJL-UHFFFAOYSA-N 0 0 491.638 6.139 40 0 JKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)cc3O)nc2c1 ZINC000014275087 555779473 /nfs/dbraw/zinc/77/94/73/555779473.db2.gz WZCPLTJVMLTYLG-WUXMJOGZSA-N 0 0 477.973 5.943 40 0 JKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)ccc3O)oc2c(C)c1 ZINC000014275153 555779693 /nfs/dbraw/zinc/77/96/93/555779693.db2.gz BZHRARNJUBPYLL-UHFFFAOYSA-N 0 0 475.570 5.731 40 0 JKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4Br)ccc3O)nc2c1 ZINC000014275168 555779700 /nfs/dbraw/zinc/77/97/00/555779700.db2.gz LSVFYLIAIYHOFR-UHFFFAOYSA-N 0 0 496.386 5.652 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000014275177 555779737 /nfs/dbraw/zinc/77/97/37/555779737.db2.gz RUBJMXQLXLCSAS-UHFFFAOYSA-N 0 0 475.570 5.678 40 0 JKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)ccc3O)nc2c1 ZINC000014275174 555779833 /nfs/dbraw/zinc/77/98/33/555779833.db2.gz AFUQTHSHRAIKNR-UHFFFAOYSA-N 0 0 481.961 5.552 40 0 JKABRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000014275311 555780331 /nfs/dbraw/zinc/78/03/31/555780331.db2.gz AIQQUJAVAGYPLU-UHFFFAOYSA-N 0 0 492.840 7.050 40 0 JKABRN COc1ccccc1C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000014275317 555780349 /nfs/dbraw/zinc/78/03/49/555780349.db2.gz QETZOHNYZKBARC-UHFFFAOYSA-N 0 0 488.421 6.406 40 0 JKABRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000014275298 555780362 /nfs/dbraw/zinc/78/03/62/555780362.db2.gz UZLYISKRYONVHI-UHFFFAOYSA-N 0 0 490.009 7.004 40 0 JKABRN CCC(=O)NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 ZINC000014275349 555780365 /nfs/dbraw/zinc/78/03/65/555780365.db2.gz RNGKOWGMDDLJLV-UHFFFAOYSA-N 0 0 499.253 5.711 40 0 JKABRN O=C(NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000014275277 555780387 /nfs/dbraw/zinc/78/03/87/555780387.db2.gz KVAUJSIKCXUSMK-UHFFFAOYSA-N 0 0 477.760 5.977 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000014275319 555780398 /nfs/dbraw/zinc/78/03/98/555780398.db2.gz FTKXWEJQWOISPL-UHFFFAOYSA-N 0 0 488.421 6.406 40 0 JKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000014275288 555780409 /nfs/dbraw/zinc/78/04/09/555780409.db2.gz HHLVXOMCHXZVIQ-UHFFFAOYSA-N 0 0 480.977 5.705 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000014275390 555780584 /nfs/dbraw/zinc/78/05/84/555780584.db2.gz BWJZJTXDJXELOB-UHFFFAOYSA-N 0 0 478.577 5.936 40 0 JKABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000014275380 555780610 /nfs/dbraw/zinc/78/06/10/555780610.db2.gz UZENKCDBZZHNMA-MDWZMJQESA-N 0 0 480.014 6.152 40 0 JKABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1C ZINC000014275459 555780849 /nfs/dbraw/zinc/78/08/49/555780849.db2.gz VNLDDILEOTVZGQ-UHFFFAOYSA-N 0 0 497.374 5.096 40 0 JKABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 ZINC000014275527 555780880 /nfs/dbraw/zinc/78/08/80/555780880.db2.gz MLSWECXPQSSTQA-UHFFFAOYSA-N 0 0 475.570 5.665 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c(OC)c4)cc3)nc2c1 ZINC000014275490 555780902 /nfs/dbraw/zinc/78/09/02/555780902.db2.gz FAUVFMHIVWOATJ-INIZCTEOSA-N 0 0 489.597 6.152 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 ZINC000020353272 555780926 /nfs/dbraw/zinc/78/09/26/555780926.db2.gz HYQNKLRVQNGOEL-SFHVURJKSA-N 0 0 487.625 6.924 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(Cl)ccc4OC)cc3)nc2c1 ZINC000020353288 555780934 /nfs/dbraw/zinc/78/09/34/555780934.db2.gz NRVNEBNCOYVVEN-OAHLLOKOSA-N 0 0 494.016 6.797 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000020353241 555780958 /nfs/dbraw/zinc/78/09/58/555780958.db2.gz MWRWEHBMKSNRRS-CQSZACIVSA-N 0 0 498.435 7.442 40 0 JKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)c3)nc2c1 ZINC000014275566 555781155 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O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc2ccccc2c1 ZINC000014279449 555791331 /nfs/dbraw/zinc/79/13/31/555791331.db2.gz ZKHRJNUPNRITEI-UHFFFAOYSA-N 0 0 476.001 5.769 40 0 JKABRN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 ZINC000014290997 555791655 /nfs/dbraw/zinc/79/16/55/555791655.db2.gz VRUKPBGSGPWMOD-UHFFFAOYSA-N 0 0 498.092 5.909 40 0 JKABRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1sc2ccccc2c1Cl ZINC000014290999 555791682 /nfs/dbraw/zinc/79/16/82/555791682.db2.gz JGHOHCMBDDHHIY-UHFFFAOYSA-N 0 0 482.030 5.831 40 0 JKABRN CC(C)COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014291037 555791936 /nfs/dbraw/zinc/79/19/36/555791936.db2.gz OGDSKDOKZCQSSR-UHFFFAOYSA-N 0 0 478.036 5.949 40 0 JKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014291033 555791982 /nfs/dbraw/zinc/79/19/82/555791982.db2.gz NZUXNVBPTUUINB-UHFFFAOYSA-N 0 0 492.063 5.977 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000014291143 555792224 /nfs/dbraw/zinc/79/22/24/555792224.db2.gz ACVCTQOPLGZCDY-UHFFFAOYSA-N 0 0 454.785 5.204 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000014291146 555792232 /nfs/dbraw/zinc/79/22/32/555792232.db2.gz FBSSNSQTIXCSCW-UHFFFAOYSA-N 0 0 454.785 5.204 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 ZINC000020528430 555792335 /nfs/dbraw/zinc/79/23/35/555792335.db2.gz DWMQAFHBTSBXIT-SFQUDFHCSA-N 0 0 483.612 5.480 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)CC2)cc1 ZINC000020528473 555792353 /nfs/dbraw/zinc/79/23/53/555792353.db2.gz DADGOMNXFAGRCR-UHFFFAOYSA-N 0 0 492.019 5.191 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000014291206 555792494 /nfs/dbraw/zinc/79/24/94/555792494.db2.gz PZKNRKDRAQUSQN-UHFFFAOYSA-N 0 0 468.384 5.517 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000014291209 555792547 /nfs/dbraw/zinc/79/25/47/555792547.db2.gz CDVRLERIZDWFMA-UHFFFAOYSA-N 0 0 468.384 5.517 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(CC)cc4)CC3)cc2)cc1 ZINC000020528565 555792650 /nfs/dbraw/zinc/79/26/50/555792650.db2.gz SDPDZWASQFKXIG-UHFFFAOYSA-N 0 0 485.628 5.643 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000020528529 555792704 /nfs/dbraw/zinc/79/27/04/555792704.db2.gz BCZAWYXAYIKDLT-UHFFFAOYSA-N 0 0 480.347 5.029 40 0 JKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000014291221 555792889 /nfs/dbraw/zinc/79/28/89/555792889.db2.gz LZIZPSXWIRDBPQ-UHFFFAOYSA-N 0 0 477.992 5.262 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3)CC2)cc1 ZINC000020528650 555792918 /nfs/dbraw/zinc/79/29/18/555792918.db2.gz VFFPAIJKZHNVTL-UHFFFAOYSA-N 0 0 477.992 5.126 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 ZINC000020528643 555792927 /nfs/dbraw/zinc/79/29/27/555792927.db2.gz KETCBGYBDHXIJI-UHFFFAOYSA-N 0 0 468.812 5.594 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000020528621 555792947 /nfs/dbraw/zinc/79/29/47/555792947.db2.gz XGVSRHLECJCPSA-XBXARRHUSA-N 0 0 494.850 5.993 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000020528710 555792972 /nfs/dbraw/zinc/79/29/72/555792972.db2.gz JANRRAGVKDZQIR-VGOFMYFVSA-N 0 0 490.003 5.028 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000014291268 555793106 /nfs/dbraw/zinc/79/31/06/555793106.db2.gz MWRGTDWBBSNXJG-UHFFFAOYSA-N 0 0 498.410 5.282 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000020528797 555793221 /nfs/dbraw/zinc/79/32/21/555793221.db2.gz FFJDIFZSNWMKML-UHFFFAOYSA-N 0 0 461.993 5.046 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2Cl)CC1 ZINC000020528753 555793224 /nfs/dbraw/zinc/79/32/24/555793224.db2.gz QOXVDBCFXKNSHH-UHFFFAOYSA-N 0 0 478.818 5.050 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000020528729 555793228 /nfs/dbraw/zinc/79/32/28/555793228.db2.gz QNOPOAKTNHURRO-GIJQJNRQSA-N 0 0 483.612 5.480 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CC2)cc1 ZINC000020528722 555793260 /nfs/dbraw/zinc/79/32/60/555793260.db2.gz SNZGXMAPPXGCHQ-UHFFFAOYSA-N 0 0 453.542 5.210 40 0 JKABRN COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000014291816 555793458 /nfs/dbraw/zinc/79/34/58/555793458.db2.gz VWIHPWYZKLEEGF-UHFFFAOYSA-N 0 0 477.797 5.082 40 0 JKABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000014291377 555793470 /nfs/dbraw/zinc/79/34/70/555793470.db2.gz KHJSCTSSJFNBSJ-UHFFFAOYSA-N 0 0 477.590 5.235 40 0 JKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)c1 ZINC000020528926 555793512 /nfs/dbraw/zinc/79/35/12/555793512.db2.gz MRLSTBMRDAAMBA-IBGZPJMESA-N 0 0 472.029 5.464 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1Cl ZINC000020528915 555793578 /nfs/dbraw/zinc/79/35/78/555793578.db2.gz ZXTVEXCTHFHNEC-RIYZIHGNSA-N 0 0 459.977 5.263 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000020528910 555793584 /nfs/dbraw/zinc/79/35/84/555793584.db2.gz YOGZKNPSKAMYJE-UHFFFAOYSA-N 0 0 480.461 5.419 40 0 JKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)c1 ZINC000020528924 555793591 /nfs/dbraw/zinc/79/35/91/555793591.db2.gz MRLSTBMRDAAMBA-LJQANCHMSA-N 0 0 472.029 5.464 40 0 JKABRN Cc1ccccc1-n1c2nnc(SCC34CC5CC(CC(C5)C3)C4)n2c2ccccc2c1=O ZINC000014357414 555796653 /nfs/dbraw/zinc/79/66/53/555796653.db2.gz HREYVKNAUOLWDS-UHFFFAOYSA-N 0 0 456.615 5.650 40 0 JKABRN CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000011666687 555797119 /nfs/dbraw/zinc/79/71/19/555797119.db2.gz HAJUGEUHVOQGPR-FKBYEOEOSA-N 0 0 484.499 5.478 40 0 JKABRN CCc1cccc(C)c1NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014359896 555798753 /nfs/dbraw/zinc/79/87/53/555798753.db2.gz TVIOIFPTYVECSS-UHFFFAOYSA-N 0 0 474.985 5.180 40 0 JKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000014396325 555802161 /nfs/dbraw/zinc/80/21/61/555802161.db2.gz MTIITDQZEBDFRS-UHFFFAOYSA-N 0 0 479.385 5.429 40 0 JKABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)c1 ZINC000014396422 555802177 /nfs/dbraw/zinc/80/21/77/555802177.db2.gz RNXQFMARGVJZRZ-UHFFFAOYSA-N 0 0 468.644 5.640 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000014396392 555802190 /nfs/dbraw/zinc/80/21/90/555802190.db2.gz IGJRVPFEAQVAPB-UHFFFAOYSA-N 0 0 493.412 5.900 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1Cl ZINC000014396544 555802218 /nfs/dbraw/zinc/80/22/18/555802218.db2.gz MQVXIONMTCFTDP-UHFFFAOYSA-N 0 0 493.412 5.900 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cc1 ZINC000014396722 555802538 /nfs/dbraw/zinc/80/25/38/555802538.db2.gz IXJBRESNOLHYTP-UHFFFAOYSA-N 0 0 479.602 5.129 40 0 JKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl ZINC000014396633 555802618 /nfs/dbraw/zinc/80/26/18/555802618.db2.gz OXTKQGHGLUUSMY-OALUTQOASA-N 0 0 450.966 5.854 40 0 JKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000014397366 555803207 /nfs/dbraw/zinc/80/32/07/555803207.db2.gz KNFLHHYSJFBVDA-HSZRJFAPSA-N 0 0 488.993 5.254 40 0 JKABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000014397546 555803295 /nfs/dbraw/zinc/80/32/95/555803295.db2.gz FYFJUNDECQZPSG-GOSISDBHSA-N 0 0 476.554 5.055 40 0 JKABRN Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000014397407 555803347 /nfs/dbraw/zinc/80/33/47/555803347.db2.gz UKMAPLWWXUINHH-UHFFFAOYSA-N 0 0 452.576 5.210 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000014398068 555803874 /nfs/dbraw/zinc/80/38/74/555803874.db2.gz PEMPOIPWUDGQFW-ZDUSSCGKSA-N 0 0 499.803 5.854 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000014398202 555803881 /nfs/dbraw/zinc/80/38/81/555803881.db2.gz NHGVKJZSMCJQJK-UHFFFAOYSA-N 0 0 491.824 5.328 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000014398981 555804550 /nfs/dbraw/zinc/80/45/50/555804550.db2.gz ZIDHQFVKTIEZKW-IBGZPJMESA-N 0 0 466.603 5.499 40 0 JKABRN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C ZINC000014399102 555804591 /nfs/dbraw/zinc/80/45/91/555804591.db2.gz VXSWMXBOCRLURI-UHFFFAOYSA-N 0 0 458.967 5.084 40 0 JKABRN O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000014399182 555804797 /nfs/dbraw/zinc/80/47/97/555804797.db2.gz MURNBLDBVLULKE-UHFFFAOYSA-N 0 0 479.385 5.592 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000014399226 555804860 /nfs/dbraw/zinc/80/48/60/555804860.db2.gz FFVMQTRJDLHVSC-CQSZACIVSA-N 0 0 465.358 5.200 40 0 JKABRN Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000014400219 555805587 /nfs/dbraw/zinc/80/55/87/555805587.db2.gz JCZADNZOFXNMBB-UHFFFAOYSA-N 0 0 452.576 5.210 40 0 JKABRN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000014401028 555806443 /nfs/dbraw/zinc/80/64/43/555806443.db2.gz MQRYKJSIXZAUSM-UHFFFAOYSA-N 0 0 488.993 5.256 40 0 JKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000014401011 555806512 /nfs/dbraw/zinc/80/65/12/555806512.db2.gz DLXUPUFYFYEQCU-UHFFFAOYSA-N 0 0 479.385 5.592 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)c(C)c1 ZINC000014401195 555806550 /nfs/dbraw/zinc/80/65/50/555806550.db2.gz ZFVQTIKUNVTLDL-UHFFFAOYSA-N 0 0 463.603 5.347 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000014401242 555806593 /nfs/dbraw/zinc/80/65/93/555806593.db2.gz WTUWOVAVVUTKJV-UHFFFAOYSA-N 0 0 457.423 5.610 40 0 JKABRN Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000014404566 555807077 /nfs/dbraw/zinc/80/70/77/555807077.db2.gz OYGNJRXSHNYUQV-UHFFFAOYSA-N 0 0 459.358 6.053 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(N(C)C)cc2)c1 ZINC000014405009 555807423 /nfs/dbraw/zinc/80/74/23/555807423.db2.gz CTLSEIBVLWRCHI-UHFFFAOYSA-N 0 0 453.546 5.060 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000014404863 555807439 /nfs/dbraw/zinc/80/74/39/555807439.db2.gz LZNPOCCMALTORB-UHFFFAOYSA-N 0 0 474.564 6.076 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc(N(C)C)cc1 ZINC000014405152 555807626 /nfs/dbraw/zinc/80/76/26/555807626.db2.gz KDOUOFRVITWWBZ-UHFFFAOYSA-N 0 0 453.546 5.060 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)c3ccccc3)c2)c1C ZINC000014405462 555807995 /nfs/dbraw/zinc/80/79/95/555807995.db2.gz QGFYNZGRRFPCAZ-UHFFFAOYSA-N 0 0 494.595 6.036 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1C ZINC000014405459 555808015 /nfs/dbraw/zinc/80/80/15/555808015.db2.gz OEMUBJHBFXJLME-UHFFFAOYSA-N 0 0 469.383 5.567 40 0 JKABRN Cc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2-c2ccccc2)cc1C ZINC000014406308 555808131 /nfs/dbraw/zinc/80/81/31/555808131.db2.gz BUUGUGXYSHLMCS-UHFFFAOYSA-N 0 0 474.629 7.865 40 0 JKABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000014410781 555809827 /nfs/dbraw/zinc/80/98/27/555809827.db2.gz DWZVRUOCWJVCNY-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000014410864 555810120 /nfs/dbraw/zinc/81/01/20/555810120.db2.gz GOMPDNGOHUUKKO-QHCPKHFHSA-N 0 0 456.489 5.732 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccc(C)cc2)cc1 ZINC000014411294 555810286 /nfs/dbraw/zinc/81/02/86/555810286.db2.gz NSESXIDPTLTTTN-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000014411188 555810367 /nfs/dbraw/zinc/81/03/67/555810367.db2.gz VFRVRIRHYDJRBD-UHFFFAOYSA-N 0 0 492.597 5.811 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014411162 555810380 /nfs/dbraw/zinc/81/03/80/555810380.db2.gz LMWMLEXNPIDZMZ-UHFFFAOYSA-N 0 0 464.631 5.788 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2ccc(C(C)C)cc2)cc1 ZINC000014411532 555810627 /nfs/dbraw/zinc/81/06/27/555810627.db2.gz VOHCWNFMACXAEV-UHFFFAOYSA-N 0 0 491.440 6.259 40 0 JKABRN CCCCCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000014411615 555810681 /nfs/dbraw/zinc/81/06/81/555810681.db2.gz GAYUCGCUOVVVHA-UHFFFAOYSA-N 0 0 476.948 5.169 40 0 JKABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000014411726 555810915 /nfs/dbraw/zinc/81/09/15/555810915.db2.gz LGZOZZZDUDMZHN-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccc(C)c(Cl)c2)cc1 ZINC000014411971 555811128 /nfs/dbraw/zinc/81/11/28/555811128.db2.gz FGGIPBIVGUNCSN-IBGZPJMESA-N 0 0 456.995 5.030 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000014412202 555811132 /nfs/dbraw/zinc/81/11/32/555811132.db2.gz PPGDUSYANNJEOD-UHFFFAOYSA-N 0 0 450.604 5.480 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000014412377 555811418 /nfs/dbraw/zinc/81/14/18/555811418.db2.gz SJBMTTLOEKXONR-UHFFFAOYSA-N 0 0 464.631 5.987 40 0 JKABRN CCCCc1ccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000014412314 555811478 /nfs/dbraw/zinc/81/14/78/555811478.db2.gz OVEBTZIQIMXWCQ-UHFFFAOYSA-N 0 0 464.631 5.865 40 0 JKABRN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000014412350 555811495 /nfs/dbraw/zinc/81/14/95/555811495.db2.gz TZJPCBCEKKVAHC-UHFFFAOYSA-N 0 0 471.312 5.106 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCC(C)C)cc1 ZINC000014412701 555812018 /nfs/dbraw/zinc/81/20/18/555812018.db2.gz MZQGUDMRLKSXQT-UHFFFAOYSA-N 0 0 485.049 5.820 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000014413183 555812330 /nfs/dbraw/zinc/81/23/30/555812330.db2.gz OEAAWSLPQHRJMM-UHFFFAOYSA-N 0 0 471.022 5.825 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2ccc(Cl)cc2)cc1 ZINC000014413559 555812998 /nfs/dbraw/zinc/81/29/98/555812998.db2.gz 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CCc1n[nH]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022110415 555877311 /nfs/dbraw/zinc/87/73/11/555877311.db2.gz PJAYEJGNJZTTKN-UHFFFAOYSA-N 0 0 453.793 5.242 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022110568 555877527 /nfs/dbraw/zinc/87/75/27/555877527.db2.gz UFVHQALXYWDDCM-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000022110543 555877564 /nfs/dbraw/zinc/87/75/64/555877564.db2.gz LNNZLIPERIWEIO-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022110595 555877602 /nfs/dbraw/zinc/87/76/02/555877602.db2.gz ILYWNNVOKRICAY-UHFFFAOYSA-N 0 0 482.993 5.601 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1F ZINC000022110733 555877824 /nfs/dbraw/zinc/87/78/24/555877824.db2.gz NTADHZTXFKRCIE-UHFFFAOYSA-N 0 0 466.538 5.087 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)ccc1OCc1ccccc1Cl ZINC000022110761 555877852 /nfs/dbraw/zinc/87/78/52/555877852.db2.gz IEMYAQPQGYKARW-UHFFFAOYSA-N 0 0 467.982 5.377 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022111090 555878206 /nfs/dbraw/zinc/87/82/06/555878206.db2.gz YENDIJBEYAYWNI-UHFFFAOYSA-N 0 0 470.957 5.731 40 0 JKABRN Fc1ccc(COc2ccc3ccccc3c2CNn2c(=S)[nH]nc2-c2ccncc2)cc1 ZINC000022111111 555878243 /nfs/dbraw/zinc/87/82/43/555878243.db2.gz QBVTXRYQSRLNAG-UHFFFAOYSA-N 0 0 457.534 5.618 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022111376 555878568 /nfs/dbraw/zinc/87/85/68/555878568.db2.gz AQDDOURAAGKTJF-UHFFFAOYSA-N 0 0 457.353 5.382 40 0 JKABRN Nc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000022116248 555879439 /nfs/dbraw/zinc/87/94/39/555879439.db2.gz ONQTYIYOQJOPGY-UHFFFAOYSA-N 0 0 488.634 9.740 40 0 JKABRN CC(C)O[C@@H]1CCCC[C@@H]1OC(=O)NCCCCCCNC(=O)O[C@@H]1CCCC[C@@H]1OC(C)C ZINC000015133506 555879484 /nfs/dbraw/zinc/87/94/84/555879484.db2.gz ZTDMMRNZJKKLCG-NVPYSNMXSA-N 0 0 484.678 5.472 40 0 JKABRN COc1ccccc1NC(=O)NCCCCCCCCCCNC(=O)Nc1ccccc1OC ZINC000015133500 555879552 /nfs/dbraw/zinc/87/95/52/555879552.db2.gz QTNDBDGVMDLPEN-UHFFFAOYSA-N 0 0 470.614 5.768 40 0 JKABRN Nc1c2ccc(-c3ccc(Br)cc3)nc2sc1C(=O)c1ccc(Br)cc1 ZINC000015162071 555881162 /nfs/dbraw/zinc/88/11/62/555881162.db2.gz XLECWYHOHJQCMJ-UHFFFAOYSA-N 0 0 488.204 6.302 40 0 JKABRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000015223683 555885814 /nfs/dbraw/zinc/88/58/14/555885814.db2.gz VUWVWRZJTGQLJO-TVNKHIRZSA-N 0 0 475.588 6.101 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC12CC3CC(CC(C3)C1)C2 ZINC000015223254 555885840 /nfs/dbraw/zinc/88/58/40/555885840.db2.gz OAGJQDHXRPAWPA-UHFFFAOYSA-N 0 0 456.615 5.383 40 0 JKABRN Cc1c(Br)cc(C(=O)CSc2ccc(Cl)cc2)c(O)c1Br ZINC000015229079 555888398 /nfs/dbraw/zinc/88/83/98/555888398.db2.gz PVXXJUJVMKHBNE-UHFFFAOYSA-N 0 0 450.579 5.854 40 0 JKABRN CC(C)c1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022232122 555891432 /nfs/dbraw/zinc/89/14/32/555891432.db2.gz XSJKINPTKNHIQW-UHFFFAOYSA-N 0 0 487.021 5.447 40 0 JKABRN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C)cc2)cc(OC)c1OC ZINC000015277136 555892535 /nfs/dbraw/zinc/89/25/35/555892535.db2.gz UUFDOKXOMXIMOA-UHFFFAOYSA-N 0 0 461.436 6.084 40 0 JKABRN CC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4c(F)cc(F)cc4Br)c(N)c3cc2C1 ZINC000015277069 555892544 /nfs/dbraw/zinc/89/25/44/555892544.db2.gz INHXOIQVPGOCEP-NSHDSACASA-N 0 0 494.405 6.323 40 0 JKABRN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)cc(OC)c1OC ZINC000015277134 555892583 /nfs/dbraw/zinc/89/25/83/555892583.db2.gz DBHKESZAFPSERY-UHFFFAOYSA-N 0 0 465.399 5.915 40 0 JKABRN CCc1cccc(C)c1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233043 555892713 /nfs/dbraw/zinc/89/27/13/555892713.db2.gz JAXSGTCNWPTEBR-UHFFFAOYSA-N 0 0 487.021 5.195 40 0 JKABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1Cl ZINC000022233091 555893071 /nfs/dbraw/zinc/89/30/71/555893071.db2.gz 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CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236816 555894505 /nfs/dbraw/zinc/89/45/05/555894505.db2.gz DUTNFBXTCMGQRR-UHFFFAOYSA-N 0 0 462.777 5.965 40 0 JKABRN CCCCc1ccc(NC2=C[C@@H](c3ccc(Cl)cc3)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015304734 555894648 /nfs/dbraw/zinc/89/46/48/555894648.db2.gz OCCSBXJLHLLLHX-LJAQVGFWSA-N 0 0 473.060 8.109 40 0 JKABRN Cn1c2ccccc2c(Sc2ccccc2)c1CC(=O)Nc1cccc(Br)c1 ZINC000015305191 555894707 /nfs/dbraw/zinc/89/47/07/555894707.db2.gz QPUTXMOGDFVBRH-UHFFFAOYSA-N 0 0 451.389 6.273 40 0 JKABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237023 555894793 /nfs/dbraw/zinc/89/47/93/555894793.db2.gz YNWPFNBVQRDPGB-LBPRGKRZSA-N 0 0 467.285 5.294 40 0 JKABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)cn2C ZINC000022237383 555894824 /nfs/dbraw/zinc/89/48/24/555894824.db2.gz SMGZWHYGVCAVRK-UHFFFAOYSA-N 0 0 460.917 5.074 40 0 JKABRN CCc1ccc(C(=O)[C@@]2(C)[C@@H]3c4cc(Br)ccc4OC(=O)[C@@]32C(=O)c2ccco2)cc1 ZINC000015306233 555895033 /nfs/dbraw/zinc/89/50/33/555895033.db2.gz BRKKJMCFAKFDAE-AMDXRBSFSA-N 0 0 479.326 5.379 40 0 JKABRN Cc1ccc(C(=O)[C@@]2(C)[C@@H]3c4cc(Br)ccc4OC(=O)[C@@]32C(=O)c2ccccc2)cc1 ZINC000015306224 555895056 /nfs/dbraw/zinc/89/50/56/555895056.db2.gz HFOMDZFZZQCRJR-BYXVTNLJSA-N 0 0 475.338 5.532 40 0 JKABRN O=C1OC(c2ccccc2)=N/C1=C/c1cccc(OCc2ccc(I)cc2)c1 ZINC000015305886 555895154 /nfs/dbraw/zinc/89/51/54/555895154.db2.gz NSXOEWUSPZBFDB-KGENOOAVSA-N 0 0 481.289 5.215 40 0 JKABRN O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OCc1cccc(I)c1 ZINC000015307039 555895381 /nfs/dbraw/zinc/89/53/81/555895381.db2.gz UFZBIILNJDLZPI-ZHZULCJRSA-N 0 0 481.289 5.215 40 0 JKABRN COc1ccc([C@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@]23C)cc1 ZINC000015320573 555897919 /nfs/dbraw/zinc/89/79/19/555897919.db2.gz CLMOVBXGSYWPNR-TZBSWOFLSA-N 0 0 483.351 5.443 40 0 JKABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000022248993 555899198 /nfs/dbraw/zinc/89/91/98/555899198.db2.gz KRDKMLRVGNHCJF-UHFFFAOYSA-N 0 0 499.338 5.060 40 0 JKABRN CCCCc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022253695 555902074 /nfs/dbraw/zinc/90/20/74/555902074.db2.gz CGXXCYAPEDYAQV-UHFFFAOYSA-N 0 0 496.629 5.265 40 0 JKABRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)c(C(C)C)c1 ZINC000022255284 555903156 /nfs/dbraw/zinc/90/31/56/555903156.db2.gz WDHSOJCOBTUENO-UHFFFAOYSA-N 0 0 455.624 5.928 40 0 JKABRN CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(C(C)C)c1 ZINC000022255280 555903193 /nfs/dbraw/zinc/90/31/93/555903193.db2.gz HFVRYXSKKWKTEH-UHFFFAOYSA-N 0 0 476.042 6.239 40 0 JKABRN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255473 555903556 /nfs/dbraw/zinc/90/35/56/555903556.db2.gz WUDKSEIHTNCMLQ-UHFFFAOYSA-N 0 0 482.367 6.285 40 0 JKABRN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255482 555903605 /nfs/dbraw/zinc/90/36/05/555903605.db2.gz BGBUDAHSATWXRQ-UHFFFAOYSA-N 0 0 496.394 6.673 40 0 JKABRN Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4cccc(C)c4)no3)C3CCCC3)C2)cc1 ZINC000022255726 555903776 /nfs/dbraw/zinc/90/37/76/555903776.db2.gz HMFVCJFUTOVDNH-HSZRJFAPSA-N 0 0 458.606 5.541 40 0 JKABRN CCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256001 555904064 /nfs/dbraw/zinc/90/40/64/555904064.db2.gz BFWKMZKHUCBGJZ-QGZVFWFLSA-N 0 0 473.404 5.617 40 0 JKABRN CCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256007 555904069 /nfs/dbraw/zinc/90/40/69/555904069.db2.gz BFWKMZKHUCBGJZ-KRWDZBQOSA-N 0 0 473.404 5.617 40 0 JKABRN Cc1ccc(N2CCC[C@H](C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4Cl)no3)C2)cc1 ZINC000022255996 555904086 /nfs/dbraw/zinc/90/40/86/555904086.db2.gz GROHHHWUGMDRCE-INIZCTEOSA-N 0 0 459.377 5.227 40 0 JKABRN COc1ccc(-c2noc(CN(C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)C(C)(C)C)n2)cc1 ZINC000022256183 555904115 /nfs/dbraw/zinc/90/41/15/555904115.db2.gz MCXHDOPHUOKVND-OAQYLSRUSA-N 0 0 462.594 5.097 40 0 JKABRN Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C3CCCCC3)C2)cc1 ZINC000022255972 555904188 /nfs/dbraw/zinc/90/41/88/555904188.db2.gz IBSRSGHTWGRLKP-JOCHJYFZSA-N 0 0 493.051 6.276 40 0 JKABRN CC[C@@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022255944 555904221 /nfs/dbraw/zinc/90/42/21/555904221.db2.gz GGVCXRVQGSHMTB-CTNGQTDRSA-N 0 0 467.013 5.742 40 0 JKABRN COc1ccc(-c2noc(CN(C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)C3CCCCC3)n2)cc1 ZINC000022256202 555904304 /nfs/dbraw/zinc/90/43/04/555904304.db2.gz RGYHTOTVQIXHIW-HSZRJFAPSA-N 0 0 488.632 5.632 40 0 JKABRN COc1ccc(-c2noc(CN(C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)C(C)(C)C)n2)cc1OC ZINC000022256296 555904386 /nfs/dbraw/zinc/90/43/86/555904386.db2.gz RMXWOSZOGAQYRV-OAQYLSRUSA-N 0 0 492.620 5.106 40 0 JKABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C1CCCCC1 ZINC000022256614 555904707 /nfs/dbraw/zinc/90/47/07/555904707.db2.gz DEWHIQZPEGPTGZ-UHFFFAOYSA-N 0 0 475.998 5.231 40 0 JKABRN CC[C@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000022256650 555904740 /nfs/dbraw/zinc/90/47/40/555904740.db2.gz HWQGTUPHIIRYJF-ZDUSSCGKSA-N 0 0 470.378 5.041 40 0 JKABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCC1 ZINC000022256657 555904751 /nfs/dbraw/zinc/90/47/51/555904751.db2.gz HUBWXKGSGZNXAB-UHFFFAOYSA-N 0 0 482.389 5.186 40 0 JKABRN CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCCC2)cc1 ZINC000022257006 555904965 /nfs/dbraw/zinc/90/49/65/555904965.db2.gz JEMLIBUCPHGKSK-UHFFFAOYSA-N 0 0 474.026 6.037 40 0 JKABRN COc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1OC ZINC000022257105 555904983 /nfs/dbraw/zinc/90/49/83/555904983.db2.gz FYKCNYZUQJAYHA-UHFFFAOYSA-N 0 0 499.633 5.401 40 0 JKABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(CC)cccc2CC)cc1C ZINC000022268639 555907841 /nfs/dbraw/zinc/90/78/41/555907841.db2.gz TVIVZFAZBRMWGJ-VWLOTQADSA-N 0 0 494.657 5.047 40 0 JKABRN Nc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000012112588 555909335 /nfs/dbraw/zinc/90/93/35/555909335.db2.gz XSQDNEKXTJVITQ-UHFFFAOYSA-N 0 0 490.632 6.175 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000022274081 555910706 /nfs/dbraw/zinc/91/07/06/555910706.db2.gz BWWJMFQWESQANK-UHFFFAOYSA-N 0 0 486.593 5.875 40 0 JKABRN CC(C)c1ccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274310 555910937 /nfs/dbraw/zinc/91/09/37/555910937.db2.gz HCCBMRIRNFHXMG-UHFFFAOYSA-N 0 0 487.419 5.407 40 0 JKABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000022274268 555911003 /nfs/dbraw/zinc/91/10/03/555911003.db2.gz GEDQEIJCYJJBDD-UHFFFAOYSA-N 0 0 450.947 5.327 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022275090 555911827 /nfs/dbraw/zinc/91/18/27/555911827.db2.gz PSSADYXSFIESJY-UHFFFAOYSA-N 0 0 464.974 5.636 40 0 JKABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000022274855 555911839 /nfs/dbraw/zinc/91/18/39/555911839.db2.gz GAVOXYBZBWSAKV-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022275114 555912188 /nfs/dbraw/zinc/91/21/88/555912188.db2.gz AUXXBNVYIIWESY-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccc(C)cc2C)cc1 ZINC000022275380 555912205 /nfs/dbraw/zinc/91/22/05/555912205.db2.gz WTRBWNYBLXTDJW-UHFFFAOYSA-N 0 0 450.604 5.569 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2cccc(C)c2)cc1 ZINC000022275279 555912235 /nfs/dbraw/zinc/91/22/35/555912235.db2.gz HONDDMUXKYGFNY-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C)cc2C)cc1 ZINC000022275439 555912453 /nfs/dbraw/zinc/91/24/53/555912453.db2.gz HHMLNIAIRYHNIU-UHFFFAOYSA-N 0 0 477.413 5.753 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(C(C)C)cc2)cc1 ZINC000022275728 555912795 /nfs/dbraw/zinc/91/27/95/555912795.db2.gz OTZJJUHFSQNKSP-UHFFFAOYSA-N 0 0 450.604 5.569 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccc(C(C)C)cc2)cc1 ZINC000022275749 555912816 /nfs/dbraw/zinc/91/28/16/555912816.db2.gz SGIGXDHUCAPRSU-UHFFFAOYSA-N 0 0 456.995 5.606 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cccc(Cl)c2)cc1 ZINC000022275970 555913112 /nfs/dbraw/zinc/91/31/12/555913112.db2.gz DJKZMUYCPUSQFP-UHFFFAOYSA-N 0 0 464.974 5.636 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2cccc(Cl)c2)cc1 ZINC000022275966 555913176 /nfs/dbraw/zinc/91/31/76/555913176.db2.gz QXXVWXHSPKYDDO-UHFFFAOYSA-N 0 0 464.974 5.636 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cccc(Br)c2)cc1 ZINC000022276284 555913333 /nfs/dbraw/zinc/91/33/33/555913333.db2.gz DNAWBFQIMSSHIK-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccc(Cl)cc2)cc1 ZINC000022276134 555913444 /nfs/dbraw/zinc/91/34/44/555913444.db2.gz OEJHDPCADQSYQF-UHFFFAOYSA-N 0 0 464.974 5.636 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cccc(Br)c2)cc1 ZINC000022276307 555913693 /nfs/dbraw/zinc/91/36/93/555913693.db2.gz PAYBZUJPJCAPAC-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277035 555914602 /nfs/dbraw/zinc/91/46/02/555914602.db2.gz WAQXSNTYOIGAEP-UHFFFAOYSA-N 0 0 477.413 5.753 40 0 JKABRN CCOc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022277521 555915147 /nfs/dbraw/zinc/91/51/47/555915147.db2.gz DTQGVKBNNDMIPF-UHFFFAOYSA-N 0 0 472.994 5.190 40 0 JKABRN CCOc1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277823 555915439 /nfs/dbraw/zinc/91/54/39/555915439.db2.gz SOIQBDDOPXPGEG-UHFFFAOYSA-N 0 0 472.994 5.190 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cccc(Cl)c2C)cc1 ZINC000022277796 555915484 /nfs/dbraw/zinc/91/54/84/555915484.db2.gz ZEGJPTNFRSYFDP-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccc(C)c(Cl)c2)cc1 ZINC000022277977 555915718 /nfs/dbraw/zinc/91/57/18/555915718.db2.gz QQSWYHPEDFUQNN-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN CCc1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277969 555915720 /nfs/dbraw/zinc/91/57/20/555915720.db2.gz QBWKDYRNAJLJOL-UHFFFAOYSA-N 0 0 456.995 5.353 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(C)c(Cl)c2)cc1 ZINC000022277948 555915728 /nfs/dbraw/zinc/91/57/28/555915728.db2.gz NODZMHKFUCVTGZ-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2ccc(C)c(Cl)c2)cc1 ZINC000022277995 555915737 /nfs/dbraw/zinc/91/57/37/555915737.db2.gz PCQDRIUQICLVKQ-UHFFFAOYSA-N 0 0 479.001 5.944 40 0 JKABRN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c12 ZINC000012139495 555915893 /nfs/dbraw/zinc/91/58/93/555915893.db2.gz MIQPIPFSIFHVJC-UHFFFAOYSA-N 0 0 479.989 7.319 40 0 JKABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000022278352 555916189 /nfs/dbraw/zinc/91/61/89/555916189.db2.gz CVNBGDOBGUZTNC-UHFFFAOYSA-N 0 0 485.392 5.981 40 0 JKABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022312461 555920377 /nfs/dbraw/zinc/92/03/77/555920377.db2.gz XFYKHHKKYIVJNI-IBGZPJMESA-N 0 0 487.021 5.038 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022314438 555920624 /nfs/dbraw/zinc/92/06/24/555920624.db2.gz GRASMVJBSAXIOB-SFHVURJKSA-N 0 0 491.440 5.683 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(C)cc2C)cc1 ZINC000022317449 555921065 /nfs/dbraw/zinc/92/10/65/555921065.db2.gz HHALWNLAVHTNAW-RUZDIDTESA-N 0 0 462.615 5.001 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2ccc(Cl)cc2)cc1 ZINC000022320902 555921208 /nfs/dbraw/zinc/92/12/08/555921208.db2.gz IMDYZBOVNPPDTR-DEOSSOPVSA-N 0 0 469.006 5.038 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(C(C)C)cc2)cc1 ZINC000022319612 555921297 /nfs/dbraw/zinc/92/12/97/555921297.db2.gz VSNXPRCUPBBIJE-HHHXNRCGSA-N 0 0 476.642 5.508 40 0 JKABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022324870 555921506 /nfs/dbraw/zinc/92/15/06/555921506.db2.gz QXMMOTRPOZTBBN-JOCHJYFZSA-N 0 0 480.630 5.002 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2cccc(Cl)c2C)cc1 ZINC000022325707 555922010 /nfs/dbraw/zinc/92/20/10/555922010.db2.gz GAQIRFLSJJWGRM-OAQYLSRUSA-N 0 0 485.049 5.646 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(C)c(Cl)c2)cc1 ZINC000022326031 555922294 /nfs/dbraw/zinc/92/22/94/555922294.db2.gz LIUNQFBFXBKJFA-NRFANRHFSA-N 0 0 485.049 5.646 40 0 JKABRN O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000015659655 555922673 /nfs/dbraw/zinc/92/26/73/555922673.db2.gz LIKKPYHHTRGSFE-DDOAZUFRSA-N 0 0 482.377 5.873 40 0 JKABRN CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c1 ZINC000015659582 555922773 /nfs/dbraw/zinc/92/27/73/555922773.db2.gz LRTZCLWIYGGFAP-JZTSUELASA-N 0 0 475.544 5.287 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccc(C)cc2)cc1 ZINC000022344983 555923480 /nfs/dbraw/zinc/92/34/80/555923480.db2.gz XWUQZUSIJLVAGD-JOCHJYFZSA-N 0 0 480.630 5.083 40 0 JKABRN CCOc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022345508 555923518 /nfs/dbraw/zinc/92/35/18/555923518.db2.gz AHMAJIUBORSTJX-VWLOTQADSA-N 0 0 499.032 5.128 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2cccc(C)c2C)cc1 ZINC000022347590 555923828 /nfs/dbraw/zinc/92/38/28/555923828.db2.gz JIUHCEGEPQVONW-VWLOTQADSA-N 0 0 462.615 5.001 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022347619 555923837 /nfs/dbraw/zinc/92/38/37/555923837.db2.gz QHWLVQYZOZPSND-RUZDIDTESA-N 0 0 480.630 5.083 40 0 JKABRN CC[C@H](NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022347623 555923872 /nfs/dbraw/zinc/92/38/72/555923872.db2.gz QHWLVQYZOZPSND-VWLOTQADSA-N 0 0 480.630 5.083 40 0 JKABRN Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022371452 555926534 /nfs/dbraw/zinc/92/65/34/555926534.db2.gz IKMUGLDWRXAWFN-HXUWFJFHSA-N 0 0 471.022 5.338 40 0 JKABRN Cc1cccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022371427 555926632 /nfs/dbraw/zinc/92/66/32/555926632.db2.gz MBGVNYVSTNQBSL-XMMPIXPASA-N 0 0 469.006 5.038 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000022371968 555926911 /nfs/dbraw/zinc/92/69/11/555926911.db2.gz XWFDKNFPKOTFJD-DEOSSOPVSA-N 0 0 487.021 5.120 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000022371475 555926944 /nfs/dbraw/zinc/92/69/44/555926944.db2.gz YFXXHEFTIICGHZ-XMMPIXPASA-N 0 0 487.021 5.120 40 0 JKABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022523851 555931005 /nfs/dbraw/zinc/93/10/05/555931005.db2.gz MZQMDWDPWAHFPY-IBGZPJMESA-N 0 0 487.021 5.120 40 0 JKABRN C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000022522667 555931011 /nfs/dbraw/zinc/93/10/11/555931011.db2.gz AOOWEBIFVDIVJI-KRWDZBQOSA-N 0 0 471.022 5.929 40 0 JKABRN CC[C@H](NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000022524107 555931187 /nfs/dbraw/zinc/93/11/87/555931187.db2.gz JKZSGMYNUGJXFO-QHCPKHFHSA-N 0 0 456.995 5.187 40 0 JKABRN CC(C)C[C@@H](NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000022530188 555931445 /nfs/dbraw/zinc/93/14/45/555931445.db2.gz HAGSLHUITIYGCN-RUZDIDTESA-N 0 0 485.049 5.823 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000022530258 555931565 /nfs/dbraw/zinc/93/15/65/555931565.db2.gz GUJZPTUEDJYARX-UHFFFAOYSA-N 0 0 450.538 5.624 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1 ZINC000022531226 555931865 /nfs/dbraw/zinc/93/18/65/555931865.db2.gz OYXOHKKXLHIOGH-MRXNPFEDSA-N 0 0 450.991 7.148 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4cccc5ccccc54)nc3c2)cc1 ZINC000022530340 555931875 /nfs/dbraw/zinc/93/18/75/555931875.db2.gz IIMDDBGYWSSDCJ-LJQANCHMSA-N 0 0 450.542 6.105 40 0 JKABRN Cc1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(C)c1 ZINC000022532468 555932400 /nfs/dbraw/zinc/93/24/00/555932400.db2.gz YDYGAGKOBDCDAM-UHFFFAOYSA-N 0 0 451.586 5.686 40 0 JKABRN Cc1cc(C)cc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022532482 555932422 /nfs/dbraw/zinc/93/24/22/555932422.db2.gz ZGTSLPDVIYDORO-UHFFFAOYSA-N 0 0 451.586 5.686 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1 ZINC000022532882 555932782 /nfs/dbraw/zinc/93/27/82/555932782.db2.gz OCEDQSZGUQCTJU-UHFFFAOYSA-N 0 0 452.004 6.360 40 0 JKABRN CC[C@@H](C)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000022534762 555932927 /nfs/dbraw/zinc/93/29/27/555932927.db2.gz ULVJNLFDGGNPNG-WCRPCQDQSA-N 0 0 453.007 6.948 40 0 JKABRN CCCC(=O)NC(=S)N(Cc1ccc(Cl)cc1Cl)c1ccc(C(=O)OCC)cc1 ZINC000022535188 555932965 /nfs/dbraw/zinc/93/29/65/555932965.db2.gz PLBJCBWELIKIHG-UHFFFAOYSA-N 0 0 453.391 5.378 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000022534677 555932994 /nfs/dbraw/zinc/93/29/94/555932994.db2.gz PXYDYXVZQVKPMB-UHFFFAOYSA-N 0 0 452.938 5.141 40 0 JKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000022534797 555933010 /nfs/dbraw/zinc/93/30/10/555933010.db2.gz LDNRWOWMUBPZIV-WCRPCQDQSA-N 0 0 453.007 6.948 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)/C=C/c2ccccc2)cc1 ZINC000022535977 555933352 /nfs/dbraw/zinc/93/33/52/555933352.db2.gz GTIHWVNTJZQNCW-LFIBNONCSA-N 0 0 454.353 6.417 40 0 JKABRN COC(=O)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000022536927 555933813 /nfs/dbraw/zinc/93/38/13/555933813.db2.gz ARFBVZMQOJYHHF-ZRDIBKRKSA-N 0 0 454.935 5.221 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)o2)cc1Cl ZINC000022537097 555933906 /nfs/dbraw/zinc/93/39/06/555933906.db2.gz CIBHNJVXVNRRPK-UTSBKAFOSA-N 0 0 454.979 5.846 40 0 JKABRN FC(F)(F)c1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3cc4ccccc4o3)n2)cc1 ZINC000015675542 555933944 /nfs/dbraw/zinc/93/39/44/555933944.db2.gz QEPJXBBKIWTXEX-FQEVSTJZSA-N 0 0 465.435 5.524 40 0 biogenic,in-vitro JKABRN Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4cc(Br)ccc4Cl)nc3c2)c1 ZINC000022537720 555934192 /nfs/dbraw/zinc/93/41/92/555934192.db2.gz SZLFEPJGSKUEAF-UHFFFAOYSA-N 0 0 455.739 6.780 40 0 JKABRN O=C(COc1ccc(Br)cc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000022562353 555934237 /nfs/dbraw/zinc/93/42/37/555934237.db2.gz IPWRFQUETNKBML-UHFFFAOYSA-N 0 0 456.119 6.138 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 ZINC000022563193 555934609 /nfs/dbraw/zinc/93/46/09/555934609.db2.gz KQLJDRSPXJLQBV-WOJBJXKFSA-N 0 0 456.586 7.539 40 0 JKABRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c(OC)c1 ZINC000022563678 555934767 /nfs/dbraw/zinc/93/47/67/555934767.db2.gz SHMJNCYHQFFCFG-DHZHZOJOSA-N 0 0 456.951 5.452 40 0 JKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022563847 555934827 /nfs/dbraw/zinc/93/48/27/555934827.db2.gz AOBXIACJYPUGAC-UHFFFAOYSA-N 0 0 457.338 6.239 40 0 JKABRN COc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1N1C(=O)c2ccccc2C1=O ZINC000022563459 555934918 /nfs/dbraw/zinc/93/49/18/555934918.db2.gz AVGAJBVKZQBUOQ-UHFFFAOYSA-N 0 0 456.885 5.555 40 0 JKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000022563857 555934924 /nfs/dbraw/zinc/93/49/24/555934924.db2.gz QHCFPSONGMTLEY-UHFFFAOYSA-N 0 0 457.338 6.239 40 0 JKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c(Cl)c1 ZINC000022563965 555935236 /nfs/dbraw/zinc/93/52/36/555935236.db2.gz CIJLHQJMYMMELT-UHFFFAOYSA-N 0 0 457.382 6.904 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1 ZINC000022564217 555935259 /nfs/dbraw/zinc/93/52/59/555935259.db2.gz FHRNANKLRYZCPD-SFHVURJKSA-N 0 0 457.526 6.000 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2C)c1 ZINC000022564572 555935334 /nfs/dbraw/zinc/93/53/34/555935334.db2.gz JYBNDVMGARFAHV-UHFFFAOYSA-N 0 0 457.599 6.670 40 0 JKABRN Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675948 555935400 /nfs/dbraw/zinc/93/54/00/555935400.db2.gz ZOTNYQYFKZTVLN-QHCPKHFHSA-N 0 0 450.502 5.253 40 0 biogenic,in-vitro JKABRN Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)Nc3ccccc3Cl)CC2)cc1 ZINC000022564748 555935559 /nfs/dbraw/zinc/93/55/59/555935559.db2.gz UPHCMBBSCSXPQG-UHFFFAOYSA-N 0 0 457.977 5.722 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccccc2)cc1 ZINC000022564847 555935607 /nfs/dbraw/zinc/93/56/07/555935607.db2.gz WYZBZEKJUGVORM-UHFFFAOYSA-N 0 0 458.341 5.782 40 0 JKABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000022566597 555936172 /nfs/dbraw/zinc/93/61/72/555936172.db2.gz NCIDQUQCTBOGKM-QHCPKHFHSA-N 0 0 459.398 5.777 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000022566368 555936185 /nfs/dbraw/zinc/93/61/85/555936185.db2.gz MCQIASMASJMPME-UHFFFAOYSA-N 0 0 459.329 5.421 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000022566377 555936237 /nfs/dbraw/zinc/93/62/37/555936237.db2.gz ZRNZGBJCLRORPM-UHFFFAOYSA-N 0 0 459.329 5.177 40 0 JKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cc(Br)ccc1Cl ZINC000022568047 555936833 /nfs/dbraw/zinc/93/68/33/555936833.db2.gz WROFUZFCZRIMLR-UHFFFAOYSA-N 0 0 460.538 7.026 40 0 JKABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000022569715 555937156 /nfs/dbraw/zinc/93/71/56/555937156.db2.gz SSNRZLRXFQLULM-UHFFFAOYSA-N 0 0 462.358 5.729 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)cc2)cc1 ZINC000022571308 555937375 /nfs/dbraw/zinc/93/73/75/555937375.db2.gz PKTVYZBSWBVKLD-UHFFFAOYSA-N 0 0 462.760 6.671 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)o2)cc1Cl ZINC000022571605 555937391 /nfs/dbraw/zinc/93/73/91/555937391.db2.gz GLQKSODQZXTTIO-ACCUITESSA-N 0 0 462.958 6.874 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3c(O)ccc4ccccc43)o2)cc1Cl ZINC000022571581 555937394 /nfs/dbraw/zinc/93/73/94/555937394.db2.gz KKSHTXOLLVPWDW-JLHYYAGUSA-N 0 0 462.958 6.294 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(Cl)c2)cc1 ZINC000022571296 555937441 /nfs/dbraw/zinc/93/74/41/555937441.db2.gz DTFYGDQKYUMYST-UHFFFAOYSA-N 0 0 462.760 6.671 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2Cl)cc1 ZINC000022571302 555937446 /nfs/dbraw/zinc/93/74/46/555937446.db2.gz VJDRAQJKKRERLR-UHFFFAOYSA-N 0 0 462.760 6.671 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3I)o2)cc1Cl ZINC000022572796 555937684 /nfs/dbraw/zinc/93/76/84/555937684.db2.gz FMGRMQKDVSDXSS-PKNBQFBNSA-N 0 0 463.702 6.165 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3)nc2c1 ZINC000022571670 555937703 /nfs/dbraw/zinc/93/77/03/555937703.db2.gz GENFSDTZSIWGEX-INIZCTEOSA-N 0 0 462.977 7.296 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccnc2Cl)cc1 ZINC000022572814 555937754 /nfs/dbraw/zinc/93/77/54/555937754.db2.gz OIEMSLVWVUEZHH-UHFFFAOYSA-N 0 0 463.748 6.066 40 0 JKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)COc1ccccc1C ZINC000022572737 555937762 /nfs/dbraw/zinc/93/77/62/555937762.db2.gz TYHWSYSNIIHSHT-UHFFFAOYSA-N 0 0 463.584 5.172 40 0 JKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc(C)c1OC ZINC000022572684 555937766 /nfs/dbraw/zinc/93/77/66/555937766.db2.gz WLUBKLIMNZQPJJ-UHFFFAOYSA-N 0 0 463.584 5.416 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)cc2s1 ZINC000022573147 555938037 /nfs/dbraw/zinc/93/80/37/555938037.db2.gz VYWSOFVZLJILBQ-VMPITWQZSA-N 0 0 464.374 6.002 40 0 JKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022572843 555938098 /nfs/dbraw/zinc/93/80/98/555938098.db2.gz VIHWLIYNTIWTPO-UHFFFAOYSA-N 0 0 463.773 6.941 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4c(ccc(Cl)c4Cl)s3)o2)cc1Cl ZINC000022572864 555938105 /nfs/dbraw/zinc/93/81/05/555938105.db2.gz RQHPIBCZSGBNMI-WEVVVXLNSA-N 0 0 463.773 7.477 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc4oc(=O)ccc4c3)o2)cc1Cl ZINC000022574687 555938368 /nfs/dbraw/zinc/93/83/68/555938368.db2.gz RROFASOSBYHJCA-JXMROGBWSA-N 0 0 464.930 5.541 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)ccc3Cl)o2)cc1Cl ZINC000022576276 555938699 /nfs/dbraw/zinc/93/86/99/555938699.db2.gz IDWDYMKHCQEKOD-RMKNXTFCSA-N 0 0 465.789 6.742 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(N4CCCC4)cc3)o2)cc1Cl ZINC000022576493 555939042 /nfs/dbraw/zinc/93/90/42/555939042.db2.gz UAXRGLFQNSIYIT-ACCUITESSA-N 0 0 466.006 6.035 40 0 JKABRN Cc1cccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccc(Cl)cc2Cl)Nc2ccccc2S3)c1 ZINC000022578798 555939284 /nfs/dbraw/zinc/93/92/84/555939284.db2.gz XETQPAKTMLDONZ-OAQYLSRUSA-N 0 0 467.377 6.388 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cc3ccccc3o2)cc1 ZINC000022580076 555939733 /nfs/dbraw/zinc/93/97/33/555939733.db2.gz IQHFMFOVJGLIFL-UHFFFAOYSA-N 0 0 468.336 6.763 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000022579616 555939739 /nfs/dbraw/zinc/93/97/39/555939739.db2.gz VCSNKBHPNOIEOY-LICLKQGHSA-N 0 0 467.617 6.350 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000022579898 555939744 /nfs/dbraw/zinc/93/97/44/555939744.db2.gz NXTHZTXJGSSFHB-UHFFFAOYSA-N 0 0 468.003 6.142 40 0 JKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N[C@@H](C)c4cc(C)c(C)cc4C)cc3C[C@H]2C)cc1 ZINC000022606133 555939982 /nfs/dbraw/zinc/93/99/82/555939982.db2.gz HCVZGCZQKARIQY-YADHBBJMSA-N 0 0 476.642 5.551 40 0 JKABRN Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)c(Cl)c2)c1 ZINC000022704083 555942622 /nfs/dbraw/zinc/94/26/22/555942622.db2.gz QDDQMOMJPYXUOU-UHFFFAOYSA-N 0 0 468.428 6.185 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000022704021 555942628 /nfs/dbraw/zinc/94/26/28/555942628.db2.gz PHXZPXRFYNBQGQ-UHFFFAOYSA-N 0 0 468.388 6.134 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000022705289 555942826 /nfs/dbraw/zinc/94/28/26/555942826.db2.gz DCNXTXRTAASEIF-HNNXBMFYSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000022705297 555942833 /nfs/dbraw/zinc/94/28/33/555942833.db2.gz HUSMSEILQDKJRA-HNNXBMFYSA-N 0 0 469.368 7.333 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(C(C)C)cc2)cc1 ZINC000022706329 555943442 /nfs/dbraw/zinc/94/34/42/555943442.db2.gz KMEZMNYFNDMCNQ-UHFFFAOYSA-N 0 0 470.396 7.141 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCN(C)CC4)c(Cl)c3)o2)cc1Cl ZINC000022706331 555943445 /nfs/dbraw/zinc/94/34/45/555943445.db2.gz SHVJSDHULNIZMG-JXMROGBWSA-N 0 0 470.400 5.966 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c1 ZINC000022706293 555943451 /nfs/dbraw/zinc/94/34/51/555943451.db2.gz SBBINHLOTGXLPB-UHFFFAOYSA-N 0 0 470.381 6.545 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 ZINC000022706307 555943460 /nfs/dbraw/zinc/94/34/60/555943460.db2.gz HHUUBYBAVQITBY-UHFFFAOYSA-N 0 0 470.381 6.545 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(C(C)C)cc2)cc1 ZINC000022706326 555943491 /nfs/dbraw/zinc/94/34/91/555943491.db2.gz DXLWWOSWPKTPPS-UHFFFAOYSA-N 0 0 470.396 7.141 40 0 JKABRN OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000022706636 555943655 /nfs/dbraw/zinc/94/36/55/555943655.db2.gz KNEHEONFWQDOFW-UHFFFAOYSA-N 0 0 470.560 6.050 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)Cc4ccccc4)cc3)o2)cc1Cl ZINC000022707105 555943670 /nfs/dbraw/zinc/94/36/70/555943670.db2.gz WLHRFNSMCQNHQO-JQIJEIRASA-N 0 0 470.956 6.742 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc3nc(NC(=O)CCC)sc3c2)cc1 ZINC000022706913 555943677 /nfs/dbraw/zinc/94/36/77/555943677.db2.gz KNBHEOBTNKQIDW-UHFFFAOYSA-N 0 0 470.620 5.341 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)nc2c1 ZINC000022707113 555943769 /nfs/dbraw/zinc/94/37/69/555943769.db2.gz JVLLYQLZQCJNHU-QGZVFWFLSA-N 0 0 470.956 8.174 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3nc(NC(=O)CCC)sc3c2)c1 ZINC000022706910 555943795 /nfs/dbraw/zinc/94/37/95/555943795.db2.gz FGLDRCSIUWPEDA-UHFFFAOYSA-N 0 0 470.620 5.341 40 0 JKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 ZINC000022707281 555943892 /nfs/dbraw/zinc/94/38/92/555943892.db2.gz BEIRYPYKXFEJJM-UHFFFAOYSA-N 0 0 470.981 7.448 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022707416 555943896 /nfs/dbraw/zinc/94/38/96/555943896.db2.gz GZQGWLZMFFUSKH-UHFFFAOYSA-N 0 0 471.384 6.804 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000022707378 555943913 /nfs/dbraw/zinc/94/39/13/555943913.db2.gz MLUWWHMPKPWOBR-UHFFFAOYSA-N 0 0 471.340 6.688 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000022707371 555943930 /nfs/dbraw/zinc/94/39/30/555943930.db2.gz HPZCADGNVYGGFV-UHFFFAOYSA-N 0 0 471.340 6.688 40 0 JKABRN COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1N1C(=O)c2ccccc2C1=O ZINC000022707317 555943995 /nfs/dbraw/zinc/94/39/95/555943995.db2.gz RJSMKMRRSGQUOM-UHFFFAOYSA-N 0 0 471.296 5.064 40 0 JKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000022707283 555944007 /nfs/dbraw/zinc/94/40/07/555944007.db2.gz XTKXGNBHLHEQTI-UHFFFAOYSA-N 0 0 470.981 7.448 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000022707422 555944017 /nfs/dbraw/zinc/94/40/17/555944017.db2.gz NADULPHVNVLLSU-INIZCTEOSA-N 0 0 471.384 6.777 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000022707582 555944293 /nfs/dbraw/zinc/94/42/93/555944293.db2.gz XUDRUGDPGHCYCO-UHFFFAOYSA-N 0 0 471.538 5.993 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc(-c2nc3ccccc3o2)c1O ZINC000022708000 555944470 /nfs/dbraw/zinc/94/44/70/555944470.db2.gz VZKRREVWUHVQCA-UHFFFAOYSA-N 0 0 472.353 5.942 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000022708064 555944492 /nfs/dbraw/zinc/94/44/92/555944492.db2.gz OIPGUNMQANKPHX-UHFFFAOYSA-N 0 0 472.397 5.989 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1Cl ZINC000022707994 555944581 /nfs/dbraw/zinc/94/45/81/555944581.db2.gz UQQMMIFOEWVXMK-UHFFFAOYSA-N 0 0 472.353 5.937 40 0 JKABRN CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OCCC)cc3)CC2)c(Cl)c1 ZINC000022707953 555944591 /nfs/dbraw/zinc/94/45/91/555944591.db2.gz WVHSQQRXSMAMRF-UHFFFAOYSA-N 0 0 472.029 5.610 40 0 JKABRN COc1ccc(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)cc1 ZINC000022708115 555944811 /nfs/dbraw/zinc/94/48/11/555944811.db2.gz GMQAMEPVRUZDJP-UHFFFAOYSA-N 0 0 472.438 6.477 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)c2)cc1 ZINC000022708830 555945075 /nfs/dbraw/zinc/94/50/75/555945075.db2.gz BSKYYBVBCHADKB-UHFFFAOYSA-N 0 0 472.972 7.402 40 0 JKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1I ZINC000022708959 555945084 /nfs/dbraw/zinc/94/50/84/555945084.db2.gz NBUQWBGIHYUSHA-UHFFFAOYSA-N 0 0 473.093 6.215 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3O)nc2c1 ZINC000022709646 555945334 /nfs/dbraw/zinc/94/53/34/555945334.db2.gz RMLLXTTWZBYZIU-QGZVFWFLSA-N 0 0 473.598 6.458 40 0 JKABRN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000022711450 555945727 /nfs/dbraw/zinc/94/57/27/555945727.db2.gz WQLKXECJQGOAJH-HSZRJFAPSA-N 0 0 475.397 5.477 40 0 JKABRN Cc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3)nn12 ZINC000022712125 555945921 /nfs/dbraw/zinc/94/59/21/555945921.db2.gz MPTWZFFYDBGRPM-ZRDIBKRKSA-N 0 0 475.961 6.035 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022711944 555945929 /nfs/dbraw/zinc/94/59/29/555945929.db2.gz WJXKEAXHCXNYTR-UHFFFAOYSA-N 0 0 475.614 5.680 40 0 JKABRN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4c(OC)cccc4OC)c3)nc2c1 ZINC000022711773 555945978 /nfs/dbraw/zinc/94/59/78/555945978.db2.gz SEZQLYDFCODWRM-UHFFFAOYSA-N 0 0 475.570 5.510 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc(-c2nc3ccccc3s2)c1O ZINC000022712020 555946012 /nfs/dbraw/zinc/94/60/12/555946012.db2.gz VKSFYRHOTLEXML-UHFFFAOYSA-N 0 0 475.639 6.402 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(C)cc2Cl)cc1 ZINC000022713154 555946518 /nfs/dbraw/zinc/94/65/18/555946518.db2.gz VSTQDBUOIALPDY-UHFFFAOYSA-N 0 0 476.787 6.979 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3)nc2c1 ZINC000022712809 555946525 /nfs/dbraw/zinc/94/65/25/555946525.db2.gz YRMXWLKDLVLGGE-NRFANRHFSA-N 0 0 476.576 7.840 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000022712797 555946612 /nfs/dbraw/zinc/94/66/12/555946612.db2.gz BGJIMHSYPLRTQT-OAQYLSRUSA-N 0 0 476.576 7.840 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000022712801 555946632 /nfs/dbraw/zinc/94/66/32/555946632.db2.gz BGJIMHSYPLRTQT-NRFANRHFSA-N 0 0 476.576 7.840 40 0 JKABRN CCOc1cc([C@@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)ccc1O ZINC000022715478 555947152 /nfs/dbraw/zinc/94/71/52/555947152.db2.gz GIGZKZMPALCMKD-QFIPXVFZSA-N 0 0 478.957 5.531 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4cc(C(C)C)ccc4o3)c2)c1 ZINC000022714183 555947215 /nfs/dbraw/zinc/94/72/15/555947215.db2.gz GDZODUBXOFLHNB-UHFFFAOYSA-N 0 0 478.017 7.015 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Br)cc4)cc3)nc2c1 ZINC000022715788 555947404 /nfs/dbraw/zinc/94/74/04/555947404.db2.gz LIDRPSHPCSSMDC-INIZCTEOSA-N 0 0 479.374 6.788 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(Br)c4)cc3)nc2c1 ZINC000022715749 555947428 /nfs/dbraw/zinc/94/74/28/555947428.db2.gz HUUTUPIFTMAGCJ-HNNXBMFYSA-N 0 0 479.374 7.032 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Br)cc4)cc3)nc2c1 ZINC000022715784 555947489 /nfs/dbraw/zinc/94/74/89/555947489.db2.gz LIDRPSHPCSSMDC-MRXNPFEDSA-N 0 0 479.374 6.788 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3N3CCCCC3)o2)cc1Cl ZINC000022716736 555947723 /nfs/dbraw/zinc/94/77/23/555947723.db2.gz OYDVAEANZWBRDW-WYMLVPIESA-N 0 0 480.033 6.425 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccc(C)c(Cl)c1 ZINC000022716679 555947727 /nfs/dbraw/zinc/94/77/27/555947727.db2.gz UJZDQCRHROXUKB-UHFFFAOYSA-N 0 0 479.989 6.209 40 0 JKABRN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C21N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000022716440 555947734 /nfs/dbraw/zinc/94/77/34/555947734.db2.gz KWYAUXZWZYGRAJ-HSZRJFAPSA-N 0 0 479.668 6.052 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nc(-c4ccccc4)cs3)o2)cc1Cl ZINC000022716729 555947765 /nfs/dbraw/zinc/94/77/65/555947765.db2.gz KCXNVGGLOWVWMM-ZRDIBKRKSA-N 0 0 480.014 6.558 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(I)cc3F)o2)cc1Cl ZINC000022738941 555948315 /nfs/dbraw/zinc/94/83/15/555948315.db2.gz VMVAVCDVLGUMFE-RMKNXTFCSA-N 0 0 481.692 6.304 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000022718618 555948430 /nfs/dbraw/zinc/94/84/30/555948430.db2.gz TUMKFXCDRNESFF-UHFFFAOYSA-N 0 0 481.577 6.400 40 0 JKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)nc21 ZINC000022739080 555948475 /nfs/dbraw/zinc/94/84/75/555948475.db2.gz BKDADQOFOJLGJI-PKNBQFBNSA-N 0 0 482.030 6.661 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)cc1 ZINC000022739165 555948606 /nfs/dbraw/zinc/94/86/06/555948606.db2.gz BNZQWIZKFXKOBD-UHFFFAOYSA-N 0 0 482.387 5.214 40 0 JKABRN Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c(Cl)c2)c1 ZINC000022739200 555948661 /nfs/dbraw/zinc/94/86/61/555948661.db2.gz LFDFEUPTFAIWTA-UHFFFAOYSA-N 0 0 482.411 5.825 40 0 JKABRN Cc1ccc(-c2ccc(C=CC(=O)NC(=S)N[C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1Cl ZINC000022740459 555948909 /nfs/dbraw/zinc/94/89/09/555948909.db2.gz OALKDGFWSPTIDD-UXBVXLNHSA-N 0 0 483.077 6.517 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cccc2c(O)cccc12 ZINC000022740540 555948978 /nfs/dbraw/zinc/94/89/78/555948978.db2.gz JPOXMUCXLGMAJG-FMIVXFBMSA-N 0 0 483.376 6.639 40 0 JKABRN COc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3)nc2c1 ZINC000022742304 555949633 /nfs/dbraw/zinc/94/96/33/555949633.db2.gz SZQIKVCYLAMLPQ-SDNWHVSQSA-N 0 0 484.939 7.377 40 0 JKABRN COc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)c3)nc2c1 ZINC000022742308 555949648 /nfs/dbraw/zinc/94/96/48/555949648.db2.gz ZRXCFDDPNVHUGZ-JLHYYAGUSA-N 0 0 484.939 7.377 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000022743245 555949815 /nfs/dbraw/zinc/94/98/15/555949815.db2.gz WOVGRTIUMWCXGY-UHFFFAOYSA-N 0 0 485.632 5.890 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000022742450 555949873 /nfs/dbraw/zinc/94/98/73/555949873.db2.gz FNHJFJMDVRCJFW-SFHVURJKSA-N 0 0 484.983 7.832 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2cc(C)cc(C)c2)cc1 ZINC000022743673 555950161 /nfs/dbraw/zinc/95/01/61/555950161.db2.gz VUORUROUSBXPLJ-UHFFFAOYSA-N 0 0 486.395 6.399 40 0 JKABRN CCCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(C(=O)OCC)cc2)cc1 ZINC000022743677 555950170 /nfs/dbraw/zinc/95/01/70/555950170.db2.gz BIZMLFHBETXSNF-UHFFFAOYSA-N 0 0 486.395 6.806 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2cccc(C)c2C)cc1 ZINC000022743695 555950174 /nfs/dbraw/zinc/95/01/74/555950174.db2.gz VFBZTUJCXSYLQN-UHFFFAOYSA-N 0 0 486.395 6.399 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000022743661 555950227 /nfs/dbraw/zinc/95/02/27/555950227.db2.gz TVEVPTNBKZJOQQ-UHFFFAOYSA-N 0 0 486.395 6.804 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2cccc(C)c2C)cc1 ZINC000022743645 555950244 /nfs/dbraw/zinc/95/02/44/555950244.db2.gz OYJSFERKLHRFHG-UHFFFAOYSA-N 0 0 486.395 6.399 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=S)NC(=O)c2ccccc2)cc1 ZINC000022745120 555950433 /nfs/dbraw/zinc/95/04/33/555950433.db2.gz ZPJAVFCNRMGEIK-UHFFFAOYSA-N 0 0 487.408 5.892 40 0 JKABRN CCOC(=O)[C@H]1CCCN(c2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)n2)C1 ZINC000022745075 555950508 /nfs/dbraw/zinc/95/05/08/555950508.db2.gz TWWLQNVGTFAKCO-HNNXBMFYSA-N 0 0 487.391 5.445 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Br ZINC000022745859 555950792 /nfs/dbraw/zinc/95/07/92/555950792.db2.gz WQVKPVJXJAOEFK-UHFFFAOYSA-N 0 0 487.806 7.030 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc(OC)cc2)cc1 ZINC000022746090 555950826 /nfs/dbraw/zinc/95/08/26/555950826.db2.gz VBGYENDQPJSBSP-UHFFFAOYSA-N 0 0 488.367 5.791 40 0 JKABRN CCc1ccc(OCC(=O)NC(=S)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 ZINC000022745635 555950849 /nfs/dbraw/zinc/95/08/49/555950849.db2.gz AMWGPUXSEUWALD-GOSISDBHSA-N 0 0 487.625 6.463 40 0 JKABRN CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)c1 ZINC000022745585 555950865 /nfs/dbraw/zinc/95/08/65/555950865.db2.gz QXHCETNUWGZVQU-UHFFFAOYSA-N 0 0 487.604 5.625 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000022746119 555951115 /nfs/dbraw/zinc/95/11/15/555951115.db2.gz DNAZRWVBVKVZJL-UHFFFAOYSA-N 0 0 488.396 5.287 40 0 JKABRN COc1cc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)cc(OC)c1OC ZINC000012319303 555951102 /nfs/dbraw/zinc/95/11/02/555951102.db2.gz XUVYCNKOXDLLCM-RQZHXJHFSA-N 0 0 460.555 5.188 40 0 JKABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000012319009 555951124 /nfs/dbraw/zinc/95/11/24/555951124.db2.gz VOYNULGGQDAYBA-PJISXUAISA-N 0 0 498.619 7.011 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2s1 ZINC000022746818 555951385 /nfs/dbraw/zinc/95/13/85/555951385.db2.gz NEZXZNHYYCNQNN-UHFFFAOYSA-N 0 0 488.638 5.680 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc3c(Br)cccc23)cc1 ZINC000022747197 555951440 /nfs/dbraw/zinc/95/14/40/555951440.db2.gz ZWIIHNQNDHKXIK-UHFFFAOYSA-N 0 0 489.369 6.021 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc3c(Br)cccc23)cc1 ZINC000022747193 555951451 /nfs/dbraw/zinc/95/14/51/555951451.db2.gz ODCZOEXRTXAIFA-UHFFFAOYSA-N 0 0 489.369 6.021 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4nc5ncccc5o4)ccc3Cl)o2)cc1Cl ZINC000022748300 555952006 /nfs/dbraw/zinc/95/20/06/555952006.db2.gz ZABWGGZXNYBRHU-DHZHZOJOSA-N 0 0 490.346 7.417 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(NC(=O)c4ccccc4Cl)c3)o2)cc1Cl ZINC000022749434 555952030 /nfs/dbraw/zinc/95/20/30/555952030.db2.gz LOODNRQSUGSDPD-WYMLVPIESA-N 0 0 491.374 7.466 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)o2)cc1Cl ZINC000022749102 555952039 /nfs/dbraw/zinc/95/20/39/555952039.db2.gz QXFBLJATUONHLY-RMKNXTFCSA-N 0 0 490.909 6.416 40 0 JKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(C)c(I)cc1C ZINC000022748312 555952044 /nfs/dbraw/zinc/95/20/44/555952044.db2.gz WATZORLEKFFQBQ-UHFFFAOYSA-N 0 0 490.366 5.197 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C)c(I)cc3C)o2)cc1Cl ZINC000022750077 555952301 /nfs/dbraw/zinc/95/23/01/555952301.db2.gz PMOWOUOYVFDMKT-VQHVLOKHSA-N 0 0 491.756 6.782 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccc(Cl)cc2)cc1 ZINC000022751125 555952321 /nfs/dbraw/zinc/95/23/21/555952321.db2.gz VFPHSAFWYSMXQX-UHFFFAOYSA-N 0 0 492.786 6.436 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3N3CCC(C)CC3)o2)cc1Cl ZINC000022752982 555953040 /nfs/dbraw/zinc/95/30/40/555953040.db2.gz ZHGQTOGUERPMCM-ZRDIBKRKSA-N 0 0 494.060 6.671 40 0 JKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc2c(Br)cccc12 ZINC000022752576 555953051 /nfs/dbraw/zinc/95/30/51/555953051.db2.gz KHEKAQGNTDJQSM-UHFFFAOYSA-N 0 0 493.813 7.785 40 0 JKABRN CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccco4)cc3Cl)CC2)cc1 ZINC000022752774 555953055 /nfs/dbraw/zinc/95/30/55/555953055.db2.gz VGMIDDQJTNNMFH-ZRDIBKRKSA-N 0 0 493.991 5.336 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(N4CCC(C)CC4)cc3)o2)cc1Cl ZINC000022752987 555953090 /nfs/dbraw/zinc/95/30/90/555953090.db2.gz RPVYTVBHSSLQGJ-ZRDIBKRKSA-N 0 0 494.060 6.671 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)/C=C/c2cc(Br)ccc2OC)cc1 ZINC000022754499 555953476 /nfs/dbraw/zinc/95/34/76/555953476.db2.gz VBERGZDXDMGOIN-MDWZMJQESA-N 0 0 495.373 5.276 40 0 JKABRN CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3Cl)CC2)cc1 ZINC000022755676 555953687 /nfs/dbraw/zinc/95/36/87/555953687.db2.gz KNFSFRASZPUZFZ-UHFFFAOYSA-N 0 0 495.982 5.483 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(CN4CCOCC4)cc3)o2)cc1Cl ZINC000022755744 555953698 /nfs/dbraw/zinc/95/36/98/555953698.db2.gz JHCCXGMYLFLBEC-PKNBQFBNSA-N 0 0 496.032 5.267 40 0 JKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000022755749 555953752 /nfs/dbraw/zinc/95/37/52/555953752.db2.gz PJDPTTCYOKTACL-WYMLVPIESA-N 0 0 496.032 6.564 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000022755940 555954057 /nfs/dbraw/zinc/95/40/57/555954057.db2.gz LHTWDAVXNRSDFD-FRKPEAEDSA-N 0 0 496.434 7.540 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000022755935 555954065 /nfs/dbraw/zinc/95/40/65/555954065.db2.gz YADMSZNDTQXIQL-LICLKQGHSA-N 0 0 496.434 7.540 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4I)cc3)nc2c1 ZINC000022755882 555954096 /nfs/dbraw/zinc/95/40/96/555954096.db2.gz HUTUUDJEGRSVBP-OAHLLOKOSA-N 0 0 496.348 6.865 40 0 JKABRN COc1ccc(C(=O)N2c3ccc(C)cc3[C@H](N(C(=O)C(F)(F)F)c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000022756069 555954131 /nfs/dbraw/zinc/95/41/31/555954131.db2.gz UQQRIRADBSPUQZ-KBMIEXCESA-N 0 0 496.529 6.388 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C(C)(C)C)C4)o2)cc1Cl ZINC000022757469 555954373 /nfs/dbraw/zinc/95/43/73/555954373.db2.gz NWPLMEVGUCWHCE-XLNAKTSKSA-N 0 0 497.060 6.872 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000022757599 555954394 /nfs/dbraw/zinc/95/43/94/555954394.db2.gz XVBMVWODBCEVKC-UHFFFAOYSA-N 0 0 497.205 7.324 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000022757588 555954417 /nfs/dbraw/zinc/95/44/17/555954417.db2.gz ACYWWCOJDVIABI-UHFFFAOYSA-N 0 0 497.205 7.324 40 0 JKABRN O=C(/C=C/c1ccco1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 ZINC000022818380 555954739 /nfs/dbraw/zinc/95/47/39/555954739.db2.gz ISZANWSKKVKMJY-GQCTYLIASA-N 0 0 497.851 5.607 40 0 JKABRN CCOc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 ZINC000022818501 555954763 /nfs/dbraw/zinc/95/47/63/555954763.db2.gz MHSMHNRGRFQSFT-DHZHZOJOSA-N 0 0 498.029 6.443 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3)nc2c1 ZINC000022820253 555954974 /nfs/dbraw/zinc/95/49/74/555954974.db2.gz OJGKEEXZWFXYID-QGZVFWFLSA-N 0 0 499.408 8.176 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1Cl ZINC000022820025 555955014 /nfs/dbraw/zinc/95/50/14/555955014.db2.gz URUSUTVEQMSKFQ-RMKNXTFCSA-N 0 0 499.341 7.107 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)o2)cc1Cl ZINC000022821227 555955447 /nfs/dbraw/zinc/95/54/47/555955447.db2.gz QPALKQGCRJGYTC-PKNBQFBNSA-N 0 0 499.817 7.446 40 0 JKABRN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1cccc(F)c1 ZINC000022821269 555955457 /nfs/dbraw/zinc/95/54/57/555955457.db2.gz ALJRQPBJWNSODD-UHFFFAOYSA-N 0 0 499.842 5.754 40 0 JKABRN O=C(N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000012360111 555956812 /nfs/dbraw/zinc/95/68/12/555956812.db2.gz IMHADKRIEQXGFX-UHFFFAOYSA-N 0 0 461.993 5.322 40 0 JKABRN COc1ccc2nc(N3C(=O)/C(=C\c4ccc(Cl)cc4Cl)N=C3c3ccccc3)sc2c1 ZINC000012371490 555961620 /nfs/dbraw/zinc/96/16/20/555961620.db2.gz XRFBXEHWFKKITR-RGVLZGJSSA-N 0 0 480.376 6.446 40 0 JKABRN CS(=O)(=O)N(CC(=O)C1CCC(c2cccc(Cl)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000012371818 555961827 /nfs/dbraw/zinc/96/18/27/555961827.db2.gz XAPNOTHBNDZAAS-UHFFFAOYSA-N 0 0 473.944 5.668 40 0 JKABRN O=C1/C(=C/C=C/c2ccccc2)N=C(c2ccccc2)N1c1nc2cc(Cl)c(F)cc2s1 ZINC000012375765 555962851 /nfs/dbraw/zinc/96/28/51/555962851.db2.gz SSTMXJUPWLEKNY-WAYKPHQQSA-N 0 0 459.933 6.480 40 0 JKABRN N=C1S/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C(=O)N1c1nccs1 ZINC000012377153 555965437 /nfs/dbraw/zinc/96/54/37/555965437.db2.gz RJAYBDJNRVLPKJ-XXGMZFFOSA-N 0 0 487.654 5.852 40 0 JKABRN COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000012380074 555968171 /nfs/dbraw/zinc/96/81/71/555968171.db2.gz JEVRMEYXWUTABV-FKYXBBJVSA-N 0 0 475.544 5.321 40 0 JKABRN O=c1c2ccccc2n2c(=S)sc(-c3ccc(Br)cc3)c2n1Cc1ccccc1 ZINC000015729648 555970288 /nfs/dbraw/zinc/97/02/88/555970288.db2.gz ZKWVOXRQVANTMZ-UHFFFAOYSA-N 0 0 479.424 6.523 40 0 JKABRN C[C@@H](NC(=O)CC12CC3CC(C1)CC(CC(=O)N[C@@H](C)c1ccccc1)(C3)C2)c1ccccc1 ZINC000012383843 555972210 /nfs/dbraw/zinc/97/22/10/555972210.db2.gz VJBFWVLGUJIETD-XMURFTBASA-N 0 0 458.646 6.108 40 0 JKABRN CCOP(=O)(OCC)[C@@H](Nc1nc2ccc(C)cc2s1)c1cccc(Oc2ccccc2)c1 ZINC000012411254 555976797 /nfs/dbraw/zinc/97/67/97/555976797.db2.gz HEYKAWGISOLMFM-XMMPIXPASA-N 0 0 482.542 7.774 40 0 JKABRN CC1=NN(c2ccccc2)[C@@]2(C1)SCC(=O)N2c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000012416840 555977861 /nfs/dbraw/zinc/97/78/61/555977861.db2.gz JIRLYZBAOGVTIG-DEOSSOPVSA-N 0 0 484.408 6.806 40 0 JKABRN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012420642 555977864 /nfs/dbraw/zinc/97/78/64/555977864.db2.gz YSQIUMMXCDQXNQ-XWIHLEKXSA-N 0 0 498.579 5.390 40 0 biogenic,in-vitro JKABRN COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)CCC3CCCCC3)c1)O[C@H]1CCCC[C@@H]21 ZINC000012420185 555977883 /nfs/dbraw/zinc/97/78/83/555977883.db2.gz LLFCQXHGDPMUTB-FSGGQHMVSA-N 0 0 477.645 7.149 40 0 JKABRN Cn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs/c1=N\c1ccc(Oc2ccccc2)cc1 ZINC000012428221 555979605 /nfs/dbraw/zinc/97/96/05/555979605.db2.gz VDLWJVSSBPNKCO-RQZHXJHFSA-N 0 0 491.638 5.563 40 0 JKABRN Cc1ccc(-c2nnc(CSc3nc(-c4ccccc4)nc4sc5c(c43)CCCC5)o2)cc1 ZINC000012467889 555981522 /nfs/dbraw/zinc/98/15/22/555981522.db2.gz GUWAENFBRVFLCD-UHFFFAOYSA-N 0 0 470.623 6.888 40 0 JKABRN COc1ccc(C)cc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000012467869 555981540 /nfs/dbraw/zinc/98/15/40/555981540.db2.gz LPQYVDWKVMPVGV-OAHLLOKOSA-N 0 0 455.649 5.890 40 0 JKABRN O=C(Nc1ccc2nc(Cc3ccccc3)n(Cc3ccc(Cl)cc3)c(=O)c2c1)c1ccccc1F ZINC000012465758 555981606 /nfs/dbraw/zinc/98/16/06/555981606.db2.gz ZHYXDBYRRHKQIJ-UHFFFAOYSA-N 0 0 497.957 6.080 40 0 JKABRN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N(Cc4ccccc4)c4ccccc4)c32)C1 ZINC000012469582 555981968 /nfs/dbraw/zinc/98/19/68/555981968.db2.gz UBDRXGJFAWLSOT-GOSISDBHSA-N 0 0 459.640 6.142 40 0 JKABRN O=C(c1ccc(Br)cc1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000012469195 555981973 /nfs/dbraw/zinc/98/19/73/555981973.db2.gz VWCSULRZWPRARU-UHFFFAOYSA-N 0 0 483.818 7.073 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3c4ccccc4C[C@H]3C)cc12 ZINC000012470170 555981983 /nfs/dbraw/zinc/98/19/83/555981983.db2.gz SBEHJUDHXXSSBY-BCHFMIIMSA-N 0 0 468.605 5.177 40 0 JKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1nc2ccccc2s1 ZINC000012469721 555982036 /nfs/dbraw/zinc/98/20/36/555982036.db2.gz LNXUNXRZHMKHCL-UHFFFAOYSA-N 0 0 469.016 6.352 40 0 JKABRN O=C(CN1c2sc3c(c2C(c2ccccc2Cl)=NCC1=O)CCCC3)c1cccc(Cl)c1 ZINC000012474539 555982198 /nfs/dbraw/zinc/98/21/98/555982198.db2.gz KVPOIVOUTVBDAU-UHFFFAOYSA-N 0 0 483.420 6.001 40 0 JKABRN CCCCn1c(Cc2csc(Nc3ccccc3)n2)nnc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000012474098 555982230 /nfs/dbraw/zinc/98/22/30/555982230.db2.gz NPLFISUEVXUJOV-OALUTQOASA-N 0 0 498.722 5.751 40 0 JKABRN Cc1cccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccccc2Cl)c1C ZINC000012474001 555982323 /nfs/dbraw/zinc/98/23/23/555982323.db2.gz REBLVRDCXDZTPB-UHFFFAOYSA-N 0 0 496.011 6.020 40 0 JKABRN COc1ccc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC(C)(C)C)c2c[nH]c3ccccc32)cc1OC ZINC000012471569 555982332 /nfs/dbraw/zinc/98/23/32/555982332.db2.gz IXPWMHCIHCYDLW-AREMUKBSSA-N 0 0 485.584 5.488 40 0 JKABRN CCc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 ZINC000012475245 555982669 /nfs/dbraw/zinc/98/26/69/555982669.db2.gz LVKRZQPPVQOVIW-SSEXGKCCSA-N 0 0 494.639 5.891 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012474934 555982736 /nfs/dbraw/zinc/98/27/36/555982736.db2.gz DSZWFQQZKMXJGR-LJAQVGFWSA-N 0 0 499.611 5.531 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012474997 555982744 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COc1ccc(-c2ccc(C3=NNC(c4ccc(F)cc4)=Nc4ccc(C(C)C)cc43)cc2)cc1 ZINC000012497716 555990899 /nfs/dbraw/zinc/99/08/99/555990899.db2.gz DTOUUOGTPOFDRF-UHFFFAOYSA-N 0 0 463.556 7.059 40 0 JKABRN COc1cc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(F)cc32)ccc1OCc1ccccc1 ZINC000012497637 555990919 /nfs/dbraw/zinc/99/09/19/555990919.db2.gz UYBVEMMJZVTTSL-UHFFFAOYSA-N 0 0 469.491 5.986 40 0 JKABRN O=C(CSc1nc2ccccc2cc1CC1CCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000012500122 555991182 /nfs/dbraw/zinc/99/11/82/555991182.db2.gz UHXWGNGUZFEJFN-UHFFFAOYSA-N 0 0 468.622 7.491 40 0 JKABRN COc1ccc([C@]2(C(F)(F)F)NC(=O)n3c(nc(-c4ccccc4)c3-c3ccccc3)S2)cc1 ZINC000012523718 555993153 /nfs/dbraw/zinc/99/31/53/555993153.db2.gz CFWUWDKRQTYSFS-DEOSSOPVSA-N 0 0 481.499 6.304 40 0 JKABRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2)cc1OC ZINC000015778218 555997116 /nfs/dbraw/zinc/99/71/16/555997116.db2.gz WTNULUKWSBHUBM-JOCHJYFZSA-N 0 0 462.546 5.095 40 0 JKABRN CN1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529896 555999732 /nfs/dbraw/zinc/99/97/32/555999732.db2.gz IOMUWMDLOAWKNN-ZEQRLZLVSA-N 0 0 454.574 5.363 40 0 biogenic,in-vitro JKABRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1Cl ZINC000015840271 556023410 /nfs/dbraw/zinc/02/34/10/556023410.db2.gz UUSQQMFBXZBZHO-UHFFFAOYSA-N 0 0 450.951 5.327 40 0 JKABRN COc1cc(-c2cs/c(=N\c3c(C)cccc3C)n2C[C@H]2CCCO2)cc(OC)c1OC ZINC000012549334 556028823 /nfs/dbraw/zinc/02/88/23/556028823.db2.gz IKBMIOVEWKHNDU-ZTUOXYGRSA-N 0 0 454.592 5.271 40 0 JKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1C ZINC000023292186 556038295 /nfs/dbraw/zinc/03/82/95/556038295.db2.gz QAWJMVRCMNMDJT-HSZRJFAPSA-N 0 0 454.039 5.607 40 0 JKABRN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1ccc(Br)cc1 ZINC000015880703 556052539 /nfs/dbraw/zinc/05/25/39/556052539.db2.gz WXJNMWGKKBXQCY-UHFFFAOYSA-N 0 0 465.760 5.384 40 0 JKABRN C[C@H]1[C@H](NC(=O)CSc2nnc(-c3ccccc3F)n2CCc2ccccc2)CCC[C@@H]1C ZINC000012564684 556060973 /nfs/dbraw/zinc/06/09/73/556060973.db2.gz LDDULYDQHBSECT-YCRNBWNJSA-N 0 0 466.626 5.360 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000015892483 556061135 /nfs/dbraw/zinc/06/11/35/556061135.db2.gz BRMMFWBQXRLVIV-UHFFFAOYSA-N 0 0 495.782 5.164 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000015895689 556061994 /nfs/dbraw/zinc/06/19/94/556061994.db2.gz BFEWZBHVLSDCCY-UHFFFAOYSA-N 0 0 451.331 5.055 40 0 JKABRN O=C(CCn1c(CN2CCN(C/C=C\c3ccccc3)CC2)nc2ccccc21)c1ccccc1 ZINC000023477236 556074660 /nfs/dbraw/zinc/07/46/60/556074660.db2.gz VIAYOUBFHWUVLW-XFXZXTDPSA-N 0 0 464.613 5.140 40 0 JKABRN Cc1ccc(F)cc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000023552486 556077829 /nfs/dbraw/zinc/07/78/29/556077829.db2.gz KZRVCYWFZBIDPC-UHFFFAOYSA-N 0 0 466.969 5.690 40 0 JKABRN O=C(c1ccccc1)[C@H](OC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)c1ccccc1 ZINC000012582968 556080398 /nfs/dbraw/zinc/08/03/98/556080398.db2.gz OXVYGEIGIWIHMI-XHMXBYAQSA-N 0 0 453.376 5.888 40 0 JKABRN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000012600724 556090339 /nfs/dbraw/zinc/09/03/39/556090339.db2.gz DNHXEOSGRONDBD-PCCBWWKXSA-N 0 0 482.738 7.018 40 0 JKABRN O=C(CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)N1CCN(c2ccccc2Cl)CC1 ZINC000012615318 556091403 /nfs/dbraw/zinc/09/14/03/556091403.db2.gz OMWALZQMTQAELV-RGMRCXJASA-N 0 0 451.836 5.113 40 0 JKABRN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015960795 556092379 /nfs/dbraw/zinc/09/23/79/556092379.db2.gz IMURSXCWVGQGHL-UHFFFAOYSA-N 0 0 469.434 5.158 40 0 JKABRN CC1(C)C[C@@]2(C[C@@H](c3ccccc3Cl)c3cc(Cl)c(OC(=O)C4CC4)cc3O2)NC(=S)N1 ZINC000012635322 556094426 /nfs/dbraw/zinc/09/44/26/556094426.db2.gz BRCMTJVECMCAKS-FYSMJZIKSA-N 0 0 491.440 5.566 40 0 JKABRN Cc1ccc2cc3cc(C(=O)N(CC(=O)NC4CCCC4)c4ccccc4C)sc3nc2c1 ZINC000012635810 556094680 /nfs/dbraw/zinc/09/46/80/556094680.db2.gz INOXCELDVMXDPH-UHFFFAOYSA-N 0 0 457.599 5.772 40 0 JKABRN CCc1ccccc1N(C(=O)c1cccs1)[C@H](C(=O)NCc1cccs1)c1ccc(C)cc1 ZINC000012635771 556094783 /nfs/dbraw/zinc/09/47/83/556094783.db2.gz JMOOIZZVDYPRPQ-VWLOTQADSA-N 0 0 474.651 6.385 40 0 JKABRN Cc1ccc([C@H](C(=O)NCc2cccs2)N(C(=O)c2cccs2)c2cc(C)cc(C)c2)cc1 ZINC000012635756 556094787 /nfs/dbraw/zinc/09/47/87/556094787.db2.gz JAXFUSFUNJNWNX-RUZDIDTESA-N 0 0 474.651 6.439 40 0 JKABRN CCc1ccccc1N(C(=O)c1cccs1)[C@@H](C(=O)NCc1cccs1)c1ccc(C)cc1 ZINC000012635765 556094795 /nfs/dbraw/zinc/09/47/95/556094795.db2.gz JMOOIZZVDYPRPQ-RUZDIDTESA-N 0 0 474.651 6.385 40 0 JKABRN CCN(CC)C(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000012636539 556095355 /nfs/dbraw/zinc/09/53/55/556095355.db2.gz WLTXVYGDBYOYBY-UYTITELCSA-N 0 0 483.747 6.244 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000012638021 556095365 /nfs/dbraw/zinc/09/53/65/556095365.db2.gz VHJNCTMXVYPYHD-SANMLTNESA-N 0 0 492.522 5.183 40 0 JKABRN CCc1nc2sc3c(c2c(N2CCN(C(=S)Nc4ccccc4)CC2)n1)CC[C@@H](C(C)(C)C)C3 ZINC000012638488 556095788 /nfs/dbraw/zinc/09/57/88/556095788.db2.gz MDIMPHFIUWSMSS-GOSISDBHSA-N 0 0 493.746 5.924 40 0 JKABRN CC(=O)Nc1ccc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c32)CCCC4)cc1 ZINC000012640027 556096091 /nfs/dbraw/zinc/09/60/91/556096091.db2.gz NWBMIYCEODZLPE-UHFFFAOYSA-N 0 0 454.621 5.383 40 0 JKABRN CCOc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC000012639649 556096098 /nfs/dbraw/zinc/09/60/98/556096098.db2.gz SUKKQOAVIWCWOQ-AWEZNQCLSA-N 0 0 453.633 5.823 40 0 JKABRN O=C(CN1CCC(n2c3ccccc3nc2C(F)(F)F)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000012640223 556096156 /nfs/dbraw/zinc/09/61/56/556096156.db2.gz LCRANFWFZRQBPG-UHFFFAOYSA-N 0 0 471.310 5.638 40 0 JKABRN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)Nc4ccccc4C(F)(F)F)c32)C1 ZINC000012639427 556096189 /nfs/dbraw/zinc/09/61/89/556096189.db2.gz BUAWKTDLNIJRHW-GFCCVEGCSA-N 0 0 477.577 6.443 40 0 JKABRN Cc1ccc(NC(=O)C(=O)N(c2cnc3ccccc3c2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 ZINC000012641789 556096330 /nfs/dbraw/zinc/09/63/30/556096330.db2.gz CFJJYJDDWQBTSW-AREMUKBSSA-N 0 0 494.595 5.171 40 0 JKABRN O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1ccccc1-c1ccccc1 ZINC000012643345 556096745 /nfs/dbraw/zinc/09/67/45/556096745.db2.gz FMVBSGOHLQEMQW-UHFFFAOYSA-N 0 0 471.973 5.867 40 0 JKABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3cccc(Cl)c3)cc2c1 ZINC000012643934 556096763 /nfs/dbraw/zinc/09/67/63/556096763.db2.gz IIPPKFILIRTELB-UHFFFAOYSA-N 0 0 451.353 5.986 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=S)Nc2ccccc2Cl)cc1 ZINC000012644222 556097109 /nfs/dbraw/zinc/09/71/09/556097109.db2.gz DRUFRSWWYKBWNK-YQQQUEKLSA-N 0 0 487.025 5.031 40 0 JKABRN CC(=O)c1cccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000012644661 556097145 /nfs/dbraw/zinc/09/71/45/556097145.db2.gz ZTRINAKIIGPYNO-UHFFFAOYSA-N 0 0 456.546 5.374 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1 ZINC000012644431 556097226 /nfs/dbraw/zinc/09/72/26/556097226.db2.gz FQMOITSLQMHSLK-UHFFFAOYSA-N 0 0 493.376 5.889 40 0 JKABRN COc1cccc(C(=O)N(CCc2ccccc2C)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1 ZINC000012644608 556097235 /nfs/dbraw/zinc/09/72/35/556097235.db2.gz KBRSVILTTGZWGO-UHFFFAOYSA-N 0 0 454.570 5.347 40 0 JKABRN COc1cccc(C(=O)N(CCc2cccc(C)c2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 ZINC000012644461 556097242 /nfs/dbraw/zinc/09/72/42/556097242.db2.gz VMMIBLUOHDUOMT-UHFFFAOYSA-N 0 0 454.570 5.347 40 0 JKABRN CC(C)(C)c1ccc(C(=O)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000012645473 556097387 /nfs/dbraw/zinc/09/73/87/556097387.db2.gz KMOHDEWISXGSMH-UHFFFAOYSA-N 0 0 474.582 5.458 40 0 JKABRN O=C(c1sc2ccccc2c1Cl)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000012645453 556097453 /nfs/dbraw/zinc/09/74/53/556097453.db2.gz IAERRIXOGGGSFH-UHFFFAOYSA-N 0 0 495.000 6.100 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3cccc(C)c3)cc2c1 ZINC000012645175 556097461 /nfs/dbraw/zinc/09/74/61/556097461.db2.gz ZXCLLVQXNGTYTG-UHFFFAOYSA-N 0 0 460.961 5.731 40 0 JKABRN COc1ccccc1NC(=O)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000012646065 556097781 /nfs/dbraw/zinc/09/77/81/556097781.db2.gz GYIHMHFTVHTMKF-UHFFFAOYSA-N 0 0 455.558 5.430 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2cc(C)cc(C)c2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)s1 ZINC000012645552 556097804 /nfs/dbraw/zinc/09/78/04/556097804.db2.gz QCKFFQNCAGLXRU-OAQYLSRUSA-N 0 0 450.608 5.075 40 0 JKABRN CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000012653182 556098373 /nfs/dbraw/zinc/09/83/73/556098373.db2.gz RQBNSDSKUAGBOI-WODPVNBQSA-N 0 0 460.743 6.741 40 0 biogenic JKABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000012653322 556098404 /nfs/dbraw/zinc/09/84/04/556098404.db2.gz PPLHKITUTHCKBG-YRNRMSPPSA-N 0 0 456.562 5.246 40 0 JKABRN COc1ccccc1Cn1c(-c2ccc(OC(F)F)cc2)cs/c1=N\c1ccccc1C ZINC000015980215 556099234 /nfs/dbraw/zinc/09/92/34/556099234.db2.gz GDOGCURKUHQPQO-FVDSYPCUSA-N 0 0 452.526 6.416 40 0 JKABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CNc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1 ZINC000015980987 556099501 /nfs/dbraw/zinc/09/95/01/556099501.db2.gz ILENHIYCXDOXTH-KHYOSLBOSA-N 0 0 499.371 6.613 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C ZINC000012704407 556103195 /nfs/dbraw/zinc/10/31/95/556103195.db2.gz LNASUDXOVPYTCR-UHFFFAOYSA-N 0 0 451.998 5.843 40 0 JKABRN COc1ccc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000012704277 556103249 /nfs/dbraw/zinc/10/32/49/556103249.db2.gz WQDMOOJIKNBFPX-VWLOTQADSA-N 0 0 496.604 5.347 40 0 JKABRN COc1ccc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NCc2ccccc2)c2ccco2)cc1OC ZINC000012705829 556103530 /nfs/dbraw/zinc/10/35/30/556103530.db2.gz JVZOJQMYRJUENL-AREMUKBSSA-N 0 0 488.515 5.140 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000012705374 556103554 /nfs/dbraw/zinc/10/35/54/556103554.db2.gz CAJAUTSMZIDNFK-GDLZYMKVSA-N 0 0 495.598 6.658 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccccc3Cl)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000012705513 556103558 /nfs/dbraw/zinc/10/35/58/556103558.db2.gz TVFPSLVWXDSLRK-UHFFFAOYSA-N 0 0 451.998 5.843 40 0 JKABRN Cc1cccc(CCN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000012706329 556103742 /nfs/dbraw/zinc/10/37/42/556103742.db2.gz PPZSXHVPHVLDBD-UHFFFAOYSA-N 0 0 474.004 6.384 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)NC3CCCCC3)cc2c1 ZINC000012708736 556104123 /nfs/dbraw/zinc/10/41/23/556104123.db2.gz WRGNVDPSURBEPG-UHFFFAOYSA-N 0 0 467.997 5.625 40 0 JKABRN COc1ccc2cc(CN(Cc3ccc(Cl)cc3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000012708070 556104166 /nfs/dbraw/zinc/10/41/66/556104166.db2.gz CTHNAKGYAZJACE-UHFFFAOYSA-N 0 0 453.970 5.235 40 0 JKABRN COc1cccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)c1 ZINC000012711783 556104474 /nfs/dbraw/zinc/10/44/74/556104474.db2.gz ZMGVFUQUJUVMAO-UHFFFAOYSA-N 0 0 481.986 6.320 40 0 JKABRN O=C(Nc1ccccc1Cl)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012710955 556104498 /nfs/dbraw/zinc/10/44/98/556104498.db2.gz KZEFYKDVUVUNJT-UHFFFAOYSA-N 0 0 479.895 5.284 40 0 JKABRN Cc1cccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)Nc2ccccc2Cl)c1 ZINC000012710948 556104503 /nfs/dbraw/zinc/10/45/03/556104503.db2.gz ANFACTJDMMRKLH-UHFFFAOYSA-N 0 0 489.959 5.495 40 0 JKABRN O=C(c1ccc(Br)cc1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000012711585 556104519 /nfs/dbraw/zinc/10/45/19/556104519.db2.gz VZCVBAHWOPTMEK-UHFFFAOYSA-N 0 0 463.400 6.462 40 0 JKABRN O=C(Nc1cccc(Cl)c1)N(Cc1ccccc1Cl)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012711049 556104532 /nfs/dbraw/zinc/10/45/32/556104532.db2.gz QMXMHNIEUXDZLX-UHFFFAOYSA-N 0 0 496.350 5.798 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)c3nc(-c4ccccc4)cs3)cc12 ZINC000012711632 556104537 /nfs/dbraw/zinc/10/45/37/556104537.db2.gz GEFZKVJXXNIWJZ-UHFFFAOYSA-N 0 0 496.617 6.959 40 0 JKABRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccc(C)cc2)cc1 ZINC000012712681 556104778 /nfs/dbraw/zinc/10/47/78/556104778.db2.gz OVMUDPZXHUZLHS-LJAQVGFWSA-N 0 0 497.643 5.239 40 0 JKABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000023956174 556104934 /nfs/dbraw/zinc/10/49/34/556104934.db2.gz LCDFURMWZBNWHD-DAYGRLMNSA-N 0 0 456.995 5.714 40 0 JKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000012715672 556105101 /nfs/dbraw/zinc/10/51/01/556105101.db2.gz FGGFRLIYVGRHBU-UHFFFAOYSA-N 0 0 464.572 5.065 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000012716480 556105114 /nfs/dbraw/zinc/10/51/14/556105114.db2.gz DKBKBVJVQAIEPN-VWLOTQADSA-N 0 0 496.654 5.300 40 0 JKABRN O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc21)Nc1ccc2c(c1)OCO2 ZINC000012716340 556105127 /nfs/dbraw/zinc/10/51/27/556105127.db2.gz YOGYZUBDNLTEOR-UHFFFAOYSA-N 0 0 451.454 5.035 40 0 JKABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000012715588 556105140 /nfs/dbraw/zinc/10/51/40/556105140.db2.gz BKRRWEOVGKDBFD-QHCPKHFHSA-N 0 0 497.683 7.214 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCC1 ZINC000012715617 556105143 /nfs/dbraw/zinc/10/51/43/556105143.db2.gz LRSCJZIIYWARKA-NDEPHWFRSA-N 0 0 487.619 6.396 40 0 JKABRN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cc(Br)ccc1Cl ZINC000016008629 556107874 /nfs/dbraw/zinc/10/78/74/556107874.db2.gz RABOLKALEDMBCC-UHFFFAOYSA-N 0 0 475.220 6.152 40 0 JKABRN Cc1sc2c(c1C)C(c1ccc(C(C)(C)C)cc1)=NCC(=O)N2CC(=O)NC1CCCCC1 ZINC000012833938 556116162 /nfs/dbraw/zinc/11/61/62/556116162.db2.gz IHWGAOQWPAXFMI-UHFFFAOYSA-N 0 0 465.663 5.295 40 0 JKABRN Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4CCc4ccccc43)o2)c1 ZINC000012833723 556116172 /nfs/dbraw/zinc/11/61/72/556116172.db2.gz YQIJMALYGNFZGV-IBGZPJMESA-N 0 0 455.583 6.298 40 0 JKABRN Cc1cccc(C)c1NC(=O)CN1c2sc3c(c2C(c2ccc(F)cc2)=NCC1=O)CCCC3 ZINC000012834005 556116206 /nfs/dbraw/zinc/11/62/06/556116206.db2.gz QXVVPONIJSERMP-UHFFFAOYSA-N 0 0 475.589 5.206 40 0 JKABRN Cc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000012834099 556116469 /nfs/dbraw/zinc/11/64/69/556116469.db2.gz WDDVMHCWSNIZJF-UHFFFAOYSA-N 0 0 459.977 6.058 40 0 JKABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)CSc1nc(-c3cccs3)cc(C(F)(F)F)n1)C2 ZINC000012848555 556117774 /nfs/dbraw/zinc/11/77/74/556117774.db2.gz BZRJJPZWAKZLLQ-RBZFPXEDSA-N 0 0 455.571 5.743 40 0 JKABRN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=Cc3c4ccccc4ccc3N12)c1ccccc1 ZINC000016034903 556118631 /nfs/dbraw/zinc/11/86/31/556118631.db2.gz GYQNRUGZXLYVIO-ZZXHUEHTSA-N 0 0 470.528 5.113 40 0 JKABRN CC1(C)Oc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2N(CC(=O)Nc2ccc(F)cc2)C1=O ZINC000012875684 556121909 /nfs/dbraw/zinc/12/19/09/556121909.db2.gz HWDHVHYHHRVSGF-UHFFFAOYSA-N 0 0 499.901 5.013 40 0 JKABRN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000012877116 556122116 /nfs/dbraw/zinc/12/21/16/556122116.db2.gz PAOXTUANHVXVSN-KDURUIRLSA-N 0 0 497.686 5.268 40 0 JKABRN CN(C(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1)C1CCCCC1 ZINC000012877055 556122122 /nfs/dbraw/zinc/12/21/22/556122122.db2.gz BXKPSWRMMRVRGI-UHFFFAOYSA-N 0 0 497.686 5.269 40 0 JKABRN Fc1ccccc1-c1cs/c(=N\c2ccccc2Cl)n1Cc1ccc(Cl)cc1Cl ZINC000016043502 556122813 /nfs/dbraw/zinc/12/28/13/556122813.db2.gz AZEIXPMEHKPIEP-QYQHSDTDSA-N 0 0 463.792 7.597 40 0 JKABRN C=C(F)/C(=C\C=C/C)NC(=S)NCc1cccc(CNC(=S)Nc2ccccc2F)c1 ZINC000016137337 556126890 /nfs/dbraw/zinc/12/68/90/556126890.db2.gz PFZFGGIRAFINBF-OXOYHDAYSA-N 0 0 458.603 5.220 40 0 JKABRN COc1cccc(OC)c1C(=O)P(=O)(C[C@@H](C)CC(C)(C)C)C(=O)c1c(OC)cccc1OC ZINC000016124878 556126903 /nfs/dbraw/zinc/12/69/03/556126903.db2.gz LFOXEOLGJPJZAA-KRWDZBQOSA-N 0 0 490.533 6.137 40 0 JKABRN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000016138871 556127204 /nfs/dbraw/zinc/12/72/04/556127204.db2.gz OAVRPTHWCMOZTH-JOCHJYFZSA-N 0 0 454.755 6.030 40 0 JKABRN CC(=O)C1=NN(c2ccccc2)[C@@]2(O1)SC(c1ccccc1)(c1ccccc1)c1ccccc12 ZINC000016138897 556127250 /nfs/dbraw/zinc/12/72/50/556127250.db2.gz KAJPZWOLQVFHIE-LJAQVGFWSA-N 0 0 462.574 6.275 40 0 JKABRN CCOc1cc(OCC)c(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Br ZINC000016161853 556127467 /nfs/dbraw/zinc/12/74/67/556127467.db2.gz XHPOZJJZQREBPH-AFHVAHMMSA-N 0 0 477.424 5.409 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000016162900 556127693 /nfs/dbraw/zinc/12/76/93/556127693.db2.gz ANORGBDTDZHWMW-UHFFFAOYSA-N 0 0 471.582 5.227 40 0 JKABRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4cc(Br)ccc4OC)c3)nn12 ZINC000016162642 556127754 /nfs/dbraw/zinc/12/77/54/556127754.db2.gz ZSMOKILDVDLQOV-JXMROGBWSA-N 0 0 498.406 5.147 40 0 JKABRN CCN(CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016162916 556127956 /nfs/dbraw/zinc/12/79/56/556127956.db2.gz SHSUSUNLAPZCAG-UHFFFAOYSA-N 0 0 469.994 5.117 40 0 JKABRN CCN(CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016162922 556128006 /nfs/dbraw/zinc/12/80/06/556128006.db2.gz WKAAZJZMRRKEKB-UHFFFAOYSA-N 0 0 485.609 5.617 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1C ZINC000016162908 556128102 /nfs/dbraw/zinc/12/81/02/556128102.db2.gz QPUIGHUEYACRFA-UHFFFAOYSA-N 0 0 493.629 5.171 40 0 JKABRN CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016188138 556128322 /nfs/dbraw/zinc/12/83/22/556128322.db2.gz HOYODTRPELZBQA-UHFFFAOYSA-N 0 0 499.803 5.698 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(I)cc1Cl ZINC000016194554 556128567 /nfs/dbraw/zinc/12/85/67/556128567.db2.gz ZXBWEOIUPNTXFL-GORDUTHDSA-N 0 0 482.532 5.912 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1C(F)(F)F ZINC000016194471 556128609 /nfs/dbraw/zinc/12/86/09/556128609.db2.gz NLYJTOVLVLMWBS-UHFFFAOYSA-N 0 0 453.052 5.491 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000016194589 556128616 /nfs/dbraw/zinc/12/86/16/556128616.db2.gz JUEPLYRQOLEHLL-QPJJXVBHSA-N 0 0 484.202 6.540 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000016194536 556128622 /nfs/dbraw/zinc/12/86/22/556128622.db2.gz YBQYKWWBHQLABD-RMKNXTFCSA-N 0 0 472.759 6.851 40 0 JKABRN COc1cc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)ccc1OCc1ccccc1 ZINC000016214834 556129563 /nfs/dbraw/zinc/12/95/63/556129563.db2.gz GBXKZELRJISNML-JAIQZWGSSA-N 0 0 454.309 5.926 40 0 JKABRN COc1ccc(C(=O)NC(=S)N(c2ccccc2)c2ccc3ccccc3c2)cc1Br ZINC000016226594 556129794 /nfs/dbraw/zinc/12/97/94/556129794.db2.gz TVCLZXUXALILLB-UHFFFAOYSA-N 0 0 491.410 6.464 40 0 JKABRN COc1ccc(-c2sc(NC(=O)c3ccccc3Br)nc2-c2ccccc2)cc1 ZINC000016217372 556129811 /nfs/dbraw/zinc/12/98/11/556129811.db2.gz ZGYBOGHYDWZHDQ-UHFFFAOYSA-N 0 0 465.372 6.501 40 0 JKABRN COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1Br ZINC000016226643 556129918 /nfs/dbraw/zinc/12/99/18/556129918.db2.gz MCKWIRFJGNLZHB-UHFFFAOYSA-N 0 0 451.114 5.733 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc(Cl)c3)n2)cc1Br ZINC000016226750 556130115 /nfs/dbraw/zinc/13/01/15/556130115.db2.gz DOUZTDIUUSIRAD-UHFFFAOYSA-N 0 0 482.812 5.361 40 0 JKABRN COc1ccc(NC(=O)Nc2cccc3ccccc32)cc1NC(=O)Nc1cccc2ccccc21 ZINC000016227027 556130139 /nfs/dbraw/zinc/13/01/39/556130139.db2.gz IMZMQTISQQVFTD-UHFFFAOYSA-N 0 0 476.536 7.290 40 0 JKABRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2Cl)cc1OC ZINC000016227302 556130162 /nfs/dbraw/zinc/13/01/62/556130162.db2.gz SBUQZOGSTPNKIG-QFIPXVFZSA-N 0 0 496.991 5.748 40 0 JKABRN COc1ccc(S[C@H](CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1OC ZINC000016227568 556130391 /nfs/dbraw/zinc/13/03/91/556130391.db2.gz YVGCRMGOAFHSTQ-HSZRJFAPSA-N 0 0 457.389 6.573 40 0 JKABRN COc1ccc(S[C@@H](CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1OC ZINC000016227566 556130396 /nfs/dbraw/zinc/13/03/96/556130396.db2.gz YVGCRMGOAFHSTQ-QHCPKHFHSA-N 0 0 457.389 6.573 40 0 JKABRN Cc1cc(C)c(NC(=O)NC[C@@H]2C[C@H](CNC(=O)Nc3c(C)cc(C)cc3C)C2(C)C)c(C)c1 ZINC000016267260 556131594 /nfs/dbraw/zinc/13/15/94/556131594.db2.gz XMYOLPMKSZORMT-ZRZAMGCNSA-N 0 0 464.654 6.143 40 0 JKABRN Cc1cc(C)c(OCC(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c(Cl)c1 ZINC000016267601 556131664 /nfs/dbraw/zinc/13/16/64/556131664.db2.gz PGDGIEBIEOWDMU-UHFFFAOYSA-N 0 0 470.960 6.170 40 0 JKABRN Cc1cc(C)c(NC(=O)Nc2ccc(Cl)cc2)c(C)c1NC(=O)Nc1ccc(Cl)cc1 ZINC000016267685 556131687 /nfs/dbraw/zinc/13/16/87/556131687.db2.gz UOMCXFQNBRAAKA-UHFFFAOYSA-N 0 0 457.361 7.207 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Sc2ccccc2)c(C)c1 ZINC000016267553 556131689 /nfs/dbraw/zinc/13/16/89/556131689.db2.gz QRYUQFDHRVEJTA-UHFFFAOYSA-N 0 0 454.617 5.022 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000016269427 556131954 /nfs/dbraw/zinc/13/19/54/556131954.db2.gz CUSRNBPBXVDRCV-UHFFFAOYSA-N 0 0 470.960 6.170 40 0 JKABRN Cc1cc(Br)cc(Br)c1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000016269477 556131998 /nfs/dbraw/zinc/13/19/98/556131998.db2.gz NSQQMXBDQAMCFR-UHFFFAOYSA-N 0 0 452.961 6.471 40 0 JKABRN Cc1cc(Br)cc(Br)c1OCC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000016282013 556132136 /nfs/dbraw/zinc/13/21/36/556132136.db2.gz YRNQILNVDGWOSE-UHFFFAOYSA-N 0 0 490.604 5.801 40 0 JKABRN Cc1cc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)ccc1Br ZINC000016282198 556132188 /nfs/dbraw/zinc/13/21/88/556132188.db2.gz VHPGGLLEPFPFPZ-UHFFFAOYSA-N 0 0 468.760 5.104 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000016282561 556132437 /nfs/dbraw/zinc/13/24/37/556132437.db2.gz WZPZSTGUSOJIMA-QZTJIDSGSA-N 0 0 477.436 6.360 40 0 JKABRN Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016282573 556132469 /nfs/dbraw/zinc/13/24/69/556132469.db2.gz UUENNBBIPLATRG-UHFFFAOYSA-N 0 0 496.411 7.321 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)COc3ccc(Cl)cc3Cl)nc2cc1Cl ZINC000016284253 556132713 /nfs/dbraw/zinc/13/27/13/556132713.db2.gz XZNGEUUREIFDAN-UHFFFAOYSA-N 0 0 460.795 5.457 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)COc3ccc(C4CCCCC4)cc3)nc2cc1Cl ZINC000016284247 556132728 /nfs/dbraw/zinc/13/27/28/556132728.db2.gz DZLWBTIQFJRLRR-UHFFFAOYSA-N 0 0 474.051 6.198 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)nc2cc1Cl ZINC000016284258 556132820 /nfs/dbraw/zinc/13/28/20/556132820.db2.gz PCGGPFGSIXMOGH-UHFFFAOYSA-N 0 0 452.413 6.253 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)nc2cc1Cl ZINC000016284295 556132833 /nfs/dbraw/zinc/13/28/33/556132833.db2.gz BVCLECQASNYTHO-UHFFFAOYSA-N 0 0 468.003 5.964 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000016284450 556133004 /nfs/dbraw/zinc/13/30/04/556133004.db2.gz XFZZJPTXRUKLIB-UHFFFAOYSA-N 0 0 454.533 6.801 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000016284391 556133087 /nfs/dbraw/zinc/13/30/87/556133087.db2.gz WLFVOTFTVRXJTJ-UHFFFAOYSA-N 0 0 477.351 6.450 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccccc1Br ZINC000016284495 556133222 /nfs/dbraw/zinc/13/32/22/556133222.db2.gz YOLOSMMFJXYKCL-UHFFFAOYSA-N 0 0 457.331 5.897 40 0 JKABRN Cc1ccc(NC(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)Nc3ccc(C)cc3C)c2)c(C)c1 ZINC000016284951 556133231 /nfs/dbraw/zinc/13/32/31/556133231.db2.gz AWNXRDLWPXWKKQ-UHFFFAOYSA-N 0 0 486.660 7.034 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)C=Cc1ccccc1 ZINC000016284503 556133279 /nfs/dbraw/zinc/13/32/79/556133279.db2.gz MDAJRCXOFZJIOH-CCEZHUSRSA-N 0 0 463.566 5.409 40 0 JKABRN CC(C)(c1ccc(OC(=O)c2ccco2)c(Cl)c1)c1ccc(OC(=O)c2ccco2)c(Cl)c1 ZINC000024522121 556133297 /nfs/dbraw/zinc/13/32/97/556133297.db2.gz LSOWWMVFUXXUTE-UHFFFAOYSA-N 0 0 485.319 6.944 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000016284521 556133358 /nfs/dbraw/zinc/13/33/58/556133358.db2.gz FWFOYTAAXFGJAC-UHFFFAOYSA-N 0 0 477.549 5.755 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000016291956 556133617 /nfs/dbraw/zinc/13/36/17/556133617.db2.gz ZXOGCEDHARVIHV-UHFFFAOYSA-N 0 0 451.555 5.317 40 0 JKABRN CC(=O)C1=NN(c2ccccc2)[C@]2(S1)c1ccccc1C(c1ccc(C)cc1)=NN2c1ccccc1 ZINC000016292172 556133629 /nfs/dbraw/zinc/13/36/29/556133629.db2.gz CMEBJZDRRDAVRA-PMERELPUSA-N 0 0 488.616 6.534 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)cc3Cl)n2)cc1Br ZINC000016285094 556133683 /nfs/dbraw/zinc/13/36/83/556133683.db2.gz ZRDCTFOPEOMNHA-UHFFFAOYSA-N 0 0 496.839 5.670 40 0 JKABRN Cc1ccc(CNC(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)NCc3ccc(C)cc3)c2)cc1 ZINC000016292398 556133971 /nfs/dbraw/zinc/13/39/71/556133971.db2.gz JYYZUZPZQPWVSF-UHFFFAOYSA-N 0 0 486.660 5.772 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)cc1 ZINC000016293394 556134236 /nfs/dbraw/zinc/13/42/36/556134236.db2.gz LXKCBZJJMFSHDZ-UHFFFAOYSA-N 0 0 499.803 5.774 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 ZINC000016293386 556134296 /nfs/dbraw/zinc/13/42/96/556134296.db2.gz HSHRECVTOMBMSE-UHFFFAOYSA-N 0 0 465.358 5.120 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000016293461 556134308 /nfs/dbraw/zinc/13/43/08/556134308.db2.gz GCLYLWYXRSMRCY-UHFFFAOYSA-N 0 0 488.565 5.606 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1C ZINC000016311947 556134514 /nfs/dbraw/zinc/13/45/14/556134514.db2.gz NLXUAMDMQISNMT-UHFFFAOYSA-N 0 0 465.582 5.626 40 0 JKABRN Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)c(Cl)c3)c2-c2cccc(F)c2)cc1 ZINC000016311677 556134619 /nfs/dbraw/zinc/13/46/19/556134619.db2.gz OJSLXJCJJLYEKZ-UHFFFAOYSA-N 0 0 465.319 5.936 40 0 JKABRN Cc1ccc(SCCNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000016310982 556134638 /nfs/dbraw/zinc/13/46/38/556134638.db2.gz KUPHPYOHBIVSEP-UHFFFAOYSA-N 0 0 489.062 5.137 40 0 JKABRN Cc1ccc(C(=O)Sc2nc(-c3ccc(C)cc3)sc2Nc2ccc(Cl)cc2)cc1 ZINC000016311182 556134654 /nfs/dbraw/zinc/13/46/54/556134654.db2.gz AQJIVMIFUBGOJG-UHFFFAOYSA-N 0 0 451.016 7.756 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4cc5ccccc5oc4=O)c(C)c3)o2)cc1Cl ZINC000016313065 556134858 /nfs/dbraw/zinc/13/48/58/556134858.db2.gz JBVMUODNWIXDGB-SDNWHVSQSA-N 0 0 495.962 7.642 40 0 JKABRN Cc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000016312914 556134952 /nfs/dbraw/zinc/13/49/52/556134952.db2.gz SUPMOSKNLUHVBE-UHFFFAOYSA-N 0 0 477.476 8.088 40 0 JKABRN CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)c3ccc(-c4cccc(NC(C)=O)c4)cc3)cc2)c1 ZINC000016321560 556135125 /nfs/dbraw/zinc/13/51/25/556135125.db2.gz FLHMIXOUDWEHJH-UHFFFAOYSA-N 0 0 484.577 5.770 40 0 JKABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 ZINC000016321486 556135152 /nfs/dbraw/zinc/13/51/52/556135152.db2.gz WPECJEFQRPERDQ-UHFFFAOYSA-N 0 0 470.963 5.295 40 0 JKABRN CC(=O)OCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000016321756 556135196 /nfs/dbraw/zinc/13/51/96/556135196.db2.gz UQURGVJMPNTKDP-UHFFFAOYSA-N 0 0 451.931 5.451 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC ZINC000016323127 556135421 /nfs/dbraw/zinc/13/54/21/556135421.db2.gz IBPYXIGGEYKJLY-UHFFFAOYSA-N 0 0 491.613 5.380 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000016322396 556135453 /nfs/dbraw/zinc/13/54/53/556135453.db2.gz DQEIOMCTGACAPO-INIZCTEOSA-N 0 0 478.420 5.094 40 0 JKABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 ZINC000016323114 556135459 /nfs/dbraw/zinc/13/54/59/556135459.db2.gz YZGVXIXPXWPWRN-UHFFFAOYSA-N 0 0 481.980 6.712 40 0 JKABRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2C)o1 ZINC000016347308 556135987 /nfs/dbraw/zinc/13/59/87/556135987.db2.gz GUZRAQUDIPHHPJ-ACCUITESSA-N 0 0 469.928 7.072 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Br)cn3)o2)cc1Cl ZINC000016346880 556136010 /nfs/dbraw/zinc/13/60/10/556136010.db2.gz QFFISVCMUGRKDB-UHFFFAOYSA-N 0 0 450.745 5.193 40 0 JKABRN Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3)nc2c1 ZINC000016348432 556136030 /nfs/dbraw/zinc/13/60/30/556136030.db2.gz HYJZBZNVYZGQSA-SDNWHVSQSA-N 0 0 468.940 7.677 40 0 JKABRN Cc1cccc(OCC(=O)Nc2nc3ccc(NC(=O)COc4cccc(C)c4C)cc3s2)c1C ZINC000016362165 556136331 /nfs/dbraw/zinc/13/63/31/556136331.db2.gz RXPZALABYMFCMG-UHFFFAOYSA-N 0 0 489.597 5.565 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3)sc2c1 ZINC000016348771 556136334 /nfs/dbraw/zinc/13/63/34/556136334.db2.gz SPDSWAXWNWOJTP-SDNWHVSQSA-N 0 0 485.008 8.145 40 0 JKABRN Cc1cccc(C2(c3cccc(C)c3)S[C@@]3(ON=C(c4ccccc4)S3)c3ccccc32)c1 ZINC000016349157 556136356 /nfs/dbraw/zinc/13/63/56/556136356.db2.gz YRVJTGDNDUDDSP-GDLZYMKVSA-N 0 0 465.643 7.578 40 0 JKABRN Cc1ccc2c(cccc2NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 ZINC000016348821 556136369 /nfs/dbraw/zinc/13/63/69/556136369.db2.gz UIOJWEPKGADEFT-JXMROGBWSA-N 0 0 482.392 6.636 40 0 JKABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3)oc2c1 ZINC000016348628 556136403 /nfs/dbraw/zinc/13/64/03/556136403.db2.gz DEGBMAAQIMTPGI-UHFFFAOYSA-N 0 0 477.347 7.300 40 0 JKABRN Cc1cccc2cc([C@@H]3CC(c4cccs4)=NN3S(=O)(=O)c3ccccc3)c(Cl)nc12 ZINC000016362490 556136574 /nfs/dbraw/zinc/13/65/74/556136574.db2.gz UAZJZXDSJBLZGA-FQEVSTJZSA-N 0 0 468.003 5.798 40 0 JKABRN Cc1ccccc1NC(=O)c1cc(Br)cc(Br)c1I ZINC000016362949 556136624 /nfs/dbraw/zinc/13/66/24/556136624.db2.gz SBETUZHYYSWTHU-UHFFFAOYSA-N 0 0 494.952 5.377 40 0 JKABRN O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1cccc(Cl)c1Cl ZINC000016383857 556136627 /nfs/dbraw/zinc/13/66/27/556136627.db2.gz RPVNPJNNHBIRPI-UHFFFAOYSA-N 0 0 452.124 7.361 40 0 JKABRN O=c1nc(C=Cc2cccc(Br)c2)cc(C=Cc2cccc(Br)c2)[nH]1 ZINC000016386102 556136898 /nfs/dbraw/zinc/13/68/98/556136898.db2.gz BOHUXFKBQGVRSZ-FIFLTTCUSA-N 0 0 458.153 5.636 40 0 JKABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccc(F)c(Cl)c2)C1)Nc1ccc(F)c(Cl)c1 ZINC000016385437 556136911 /nfs/dbraw/zinc/13/69/11/556136911.db2.gz XAXXUUXDMDWFBL-KBPBESRZSA-N 0 0 485.362 6.021 40 0 JKABRN O=C(Nc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1)c1cccc(Cl)c1 ZINC000016398819 556137172 /nfs/dbraw/zinc/13/71/72/556137172.db2.gz SIXQMQPGRFCGSQ-UHFFFAOYSA-N 0 0 479.761 6.760 40 0 JKABRN O=C(NCCCCCCCCCCCCNC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000016398803 556137176 /nfs/dbraw/zinc/13/71/76/556137176.db2.gz VDNRBFKSJKMMAI-UHFFFAOYSA-N 0 0 477.476 7.054 40 0 JKABRN O=C(Nc1ccc(Cc2ccc(NC(=O)Nc3cccc(F)c3)cc2)cc1)Nc1cccc(F)c1 ZINC000016399165 556137184 /nfs/dbraw/zinc/13/71/84/556137184.db2.gz FFEODXYENPTZOV-UHFFFAOYSA-N 0 0 472.495 6.844 40 0 JKABRN O=C(NCc1cccc(CNC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C(F)(F)F)c1 ZINC000016398769 556137202 /nfs/dbraw/zinc/13/72/02/556137202.db2.gz CVJQIFSBJAIDOE-UHFFFAOYSA-N 0 0 480.408 5.584 40 0 JKABRN O=C(NCC1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000016399354 556137526 /nfs/dbraw/zinc/13/75/26/556137526.db2.gz YHWLFTNQLPPODA-UHFFFAOYSA-N 0 0 488.432 5.790 40 0 JKABRN O=C(NCCCCCCCCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016400974 556138106 /nfs/dbraw/zinc/13/81/06/556138106.db2.gz ORCOXQQMRXRFGM-UHFFFAOYSA-N 0 0 477.476 7.054 40 0 JKABRN O=C(Nc1ccc(F)cc1)Nc1ccc(Sc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000016428444 556138842 /nfs/dbraw/zinc/13/88/42/556138842.db2.gz OATBRFNTCDNONP-UHFFFAOYSA-N 0 0 490.535 7.404 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000016431261 556138888 /nfs/dbraw/zinc/13/88/88/556138888.db2.gz IBQACFAHVSVJJT-QHHAFSJGSA-N 0 0 499.222 7.149 40 0 JKABRN O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(I)cc1 ZINC000016429637 556138892 /nfs/dbraw/zinc/13/88/92/556138892.db2.gz JXYOPQYHQJAYRR-UHFFFAOYSA-N 0 0 499.786 5.195 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc3c(c2)OCCO3)nc2c(Cl)cccc12 ZINC000016430966 556138902 /nfs/dbraw/zinc/13/89/02/556138902.db2.gz IWIZPEHUUAMLIV-UHFFFAOYSA-N 0 0 451.309 6.232 40 0 JKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc(Br)ccc1Cl ZINC000016431213 556138913 /nfs/dbraw/zinc/13/89/13/556138913.db2.gz QUIMSFSBBFQFJJ-UHFFFAOYSA-N 0 0 461.193 5.492 40 0 JKABRN O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc2c3c(cccc31)CC2 ZINC000016431658 556139255 /nfs/dbraw/zinc/13/92/55/556139255.db2.gz ANWARNRETWNFQW-UHFFFAOYSA-N 0 0 459.332 7.306 40 0 JKABRN O=C(NCc1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000016449599 556139477 /nfs/dbraw/zinc/13/94/77/556139477.db2.gz YICBEUIYZVOXBZ-UHFFFAOYSA-N 0 0 496.411 6.690 40 0 JKABRN Clc1ccccc1[C@H](c1ccccc1)N1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000016477838 556140034 /nfs/dbraw/zinc/14/00/34/556140034.db2.gz OVJVDTTXDNOGCZ-VWLOTQADSA-N 0 0 475.061 6.135 40 0 JKABRN Clc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2cccs2)cc1Cl ZINC000016478039 556140059 /nfs/dbraw/zinc/14/00/59/556140059.db2.gz UUMUFQXJHFRNRC-DEOSSOPVSA-N 0 0 450.394 7.442 40 0 JKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc(OCc2ccccc2)c1 ZINC000016480690 556140611 /nfs/dbraw/zinc/14/06/11/556140611.db2.gz LQPWTTMXPWSZQZ-UHFFFAOYSA-N 0 0 453.976 5.656 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000016490945 556140860 /nfs/dbraw/zinc/14/08/60/556140860.db2.gz UPQQVPGHAOVQFU-UHFFFAOYSA-N 0 0 480.586 5.107 40 0 JKABRN O=C(COc1ccccc1)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000016490664 556140895 /nfs/dbraw/zinc/14/08/95/556140895.db2.gz ZMBOSYSFHIKIRU-UHFFFAOYSA-N 0 0 453.976 5.509 40 0 JKABRN S=C(Nc1ccccc1)Nc1ccc(Sc2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000016490029 556140956 /nfs/dbraw/zinc/14/09/56/556140956.db2.gz FPTKXPWBWXVTJC-UHFFFAOYSA-N 0 0 486.691 7.456 40 0 JKABRN O=C(Sc1nc(-c2ccc(Cl)cc2)sc1Nc1ccccc1)c1cccc(Cl)c1 ZINC000016490506 556140961 /nfs/dbraw/zinc/14/09/61/556140961.db2.gz ADTYFRFVUNJJCX-UHFFFAOYSA-N 0 0 457.407 7.793 40 0 JKABRN O=S(=O)(c1ccccc1)c1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000016492434 556141197 /nfs/dbraw/zinc/14/11/97/556141197.db2.gz FSWPLRUIOSCOOW-UHFFFAOYSA-N 0 0 455.966 7.055 40 0 JKABRN Clc1ccc2ncc(-c3nnnn3-c3ccc(Cl)c(Cl)c3)c(-c3ccccc3)c2c1 ZINC000016492489 556141220 /nfs/dbraw/zinc/14/12/20/556141220.db2.gz VKQPNGULFPVZKP-UHFFFAOYSA-N 0 0 452.732 6.505 40 0 JKABRN Clc1ccc(CSc2nnc3cc(-c4ccccc4)c(-c4ccccc4)cc3n2)cc1Cl ZINC000016492845 556141477 /nfs/dbraw/zinc/14/14/77/556141477.db2.gz QWHCZKKVCBLZON-UHFFFAOYSA-N 0 0 474.416 7.958 40 0 JKABRN O=C(c1cc(-c2ccccc2)c(N(c2ccccc2)c2ccc3ccccc3c2)s1)c1ccccc1 ZINC000016492763 556141533 /nfs/dbraw/zinc/14/15/33/556141533.db2.gz RSLPNQFRMBFSMF-UHFFFAOYSA-N 0 0 481.620 9.269 40 0 JKABRN O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)n1c2ccccc2c2ccccc21 ZINC000016525671 556142083 /nfs/dbraw/zinc/14/20/83/556142083.db2.gz RPCIYDSRUSWABA-UHFFFAOYSA-N 0 0 468.559 6.457 40 0 JKABRN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1sc2ccccc2c1Cl ZINC000016545088 556142802 /nfs/dbraw/zinc/14/28/02/556142802.db2.gz GAUGVSOTYZTUAY-UHFFFAOYSA-N 0 0 454.938 7.768 40 0 JKABRN BrC1=C(Br)C(Br)(Br)c2nc3ccccc3nc21 ZINC000016545529 556143088 /nfs/dbraw/zinc/14/30/88/556143088.db2.gz VCRZLWVTQBMGIX-UHFFFAOYSA-N 0 0 483.783 5.044 40 0 JKABRN CC(C)c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc(C(C)C)cc3)C2)cc1 ZINC000016575914 556144933 /nfs/dbraw/zinc/14/49/33/556144933.db2.gz WOQVJCKHSOARRR-FGZHOGPDSA-N 0 0 464.654 6.683 40 0 JKABRN C[C@H](CCCNC(=O)Nc1ccc(Cl)c(Cl)c1)CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016576267 556145160 /nfs/dbraw/zinc/14/51/60/556145160.db2.gz FMIVGKFTZURCBV-GFCCVEGCSA-N 0 0 492.234 6.660 40 0 JKABRN CC1(C)CC(NC(=O)Nc2cccc(Cl)c2)CC(C)(C)N1C(=O)Nc1cccc(Cl)c1 ZINC000016577747 556145514 /nfs/dbraw/zinc/14/55/14/556145514.db2.gz QCXVPJGGTNLSFX-UHFFFAOYSA-N 0 0 463.409 6.369 40 0 JKABRN CC1(C)C[C@H](NC(=O)NC2CCCCCCC2)C[C@](C)(CNC(=O)NC2CCCCCCC2)C1 ZINC000016577720 556145705 /nfs/dbraw/zinc/14/57/05/556145705.db2.gz VOCWPTWPKRAUBR-CUBQBAPOSA-N 0 0 476.750 6.396 40 0 JKABRN CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4c(Cl)cccc4Cl)cc3)C(=O)[C@H]21 ZINC000016607242 556145788 /nfs/dbraw/zinc/14/57/88/556145788.db2.gz SGHNGZUXFDJZOI-XYAWUURFSA-N 0 0 456.325 5.052 40 0 JKABRN COC(=O)C1=NN(c2cccc(Cl)c2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000016607921 556145818 /nfs/dbraw/zinc/14/58/18/556145818.db2.gz ADOVWWNHLWCMAN-DEOSSOPVSA-N 0 0 462.962 5.434 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(O[C@H](C)CC)cc4)ccc3o2)cc1 ZINC000016610393 556146054 /nfs/dbraw/zinc/14/60/54/556146054.db2.gz XEIQBLBOQOSSBT-QGZVFWFLSA-N 0 0 489.597 6.198 40 0 JKABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000016610486 556146060 /nfs/dbraw/zinc/14/60/60/556146060.db2.gz URIWPHXBYGBUJE-CYBMUJFWSA-N 0 0 457.393 5.948 40 0 JKABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000016610489 556146119 /nfs/dbraw/zinc/14/61/19/556146119.db2.gz URIWPHXBYGBUJE-ZDUSSCGKSA-N 0 0 457.393 5.948 40 0 JKABRN C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016609580 556146147 /nfs/dbraw/zinc/14/61/47/556146147.db2.gz ATCPFJIDCOJZHL-CYBMUJFWSA-N 0 0 474.405 5.494 40 0 JKABRN CCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2s1 ZINC000016609958 556146178 /nfs/dbraw/zinc/14/61/78/556146178.db2.gz FIWZBWBOVZAZHS-VMPITWQZSA-N 0 0 486.380 6.864 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)nc2c1 ZINC000016610683 556146366 /nfs/dbraw/zinc/14/63/66/556146366.db2.gz SJNMUTAHAZAPQK-NRFANRHFSA-N 0 0 460.577 7.779 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc(Br)ccc4OC)c3)nc2c1 ZINC000016610773 556146657 /nfs/dbraw/zinc/14/66/57/556146657.db2.gz XDWAJYWJOUORMS-OAHLLOKOSA-N 0 0 479.374 7.032 40 0 JKABRN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1Br ZINC000016610792 556146700 /nfs/dbraw/zinc/14/67/00/556146700.db2.gz HSOPGRNFYDPCTL-MRXNPFEDSA-N 0 0 493.401 7.422 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c(Br)c4)c3)nc2c1 ZINC000016610785 556146737 /nfs/dbraw/zinc/14/67/37/556146737.db2.gz KLGLQURXWANKMK-OAHLLOKOSA-N 0 0 479.374 7.032 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cccc5ccccc54)c3)nc2c1 ZINC000016610745 556146740 /nfs/dbraw/zinc/14/67/40/556146740.db2.gz MJMGHAMGXBIHEW-LJQANCHMSA-N 0 0 450.538 7.179 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(I)c4)c3)nc2c1 ZINC000016610880 556146912 /nfs/dbraw/zinc/14/69/12/556146912.db2.gz MUZWQUXZSPUOJA-HNNXBMFYSA-N 0 0 496.348 6.865 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc(C)cc4)c3)nc2c1 ZINC000016610979 556147009 /nfs/dbraw/zinc/14/70/09/556147009.db2.gz JPBWCLRIPGAJME-GOSISDBHSA-N 0 0 473.598 6.209 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1 ZINC000016611033 556147216 /nfs/dbraw/zinc/14/72/16/556147216.db2.gz KBVLOGFSAUBLCJ-MRXNPFEDSA-N 0 0 478.017 6.717 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc5ccccc5o4)c3)nc2c1 ZINC000016611066 556147226 /nfs/dbraw/zinc/14/72/26/556147226.db2.gz OAEULJJTRTXYKM-MRXNPFEDSA-N 0 0 469.566 6.881 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4cccc(C)c4)c3)nc2c1 ZINC000016611012 556147239 /nfs/dbraw/zinc/14/72/39/556147239.db2.gz FOBVDJQEPNPZKM-SFHVURJKSA-N 0 0 473.598 6.209 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4cccc(C)c4)c3)nc2c1 ZINC000016611010 556147274 /nfs/dbraw/zinc/14/72/74/556147274.db2.gz FOBVDJQEPNPZKM-GOSISDBHSA-N 0 0 473.598 6.209 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)c3)nc2c1 ZINC000016611089 556147278 /nfs/dbraw/zinc/14/72/78/556147278.db2.gz UOFKTWWIDBJXPP-OAHLLOKOSA-N 0 0 494.016 6.797 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4OC)c3)nc2c1 ZINC000016611257 556147722 /nfs/dbraw/zinc/14/77/22/556147722.db2.gz KTLPJFSPYKCMOE-MRXNPFEDSA-N 0 0 459.571 6.144 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc5ccccc5c4)c3)nc2c1 ZINC000016611181 556147741 /nfs/dbraw/zinc/14/77/41/556147741.db2.gz DMIDJKMCEJBLKN-SFHVURJKSA-N 0 0 479.605 7.288 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4OC)c3)nc2c1 ZINC000016611259 556147806 /nfs/dbraw/zinc/14/78/06/556147806.db2.gz KTLPJFSPYKCMOE-INIZCTEOSA-N 0 0 459.571 6.144 40 0 JKABRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 ZINC000016611473 556148021 /nfs/dbraw/zinc/14/80/21/556148021.db2.gz TWUMTBKBPBAAGO-PSQNISHLSA-N 0 0 475.588 6.019 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000016637072 556148599 /nfs/dbraw/zinc/14/85/99/556148599.db2.gz DCOHUYUBTIUFOV-UHFFFAOYSA-N 0 0 462.015 5.402 40 0 JKABRN CCCC[C@@](CC)(CCCNC(=S)Nc1ccccc1)CNC(=S)Nc1ccccc1 ZINC000016637631 556148944 /nfs/dbraw/zinc/14/89/44/556148944.db2.gz FTLCYMMPTDIEBO-VWLOTQADSA-N 0 0 456.725 6.326 40 0 JKABRN CCCC[C@@](CC)(CCCNC(=O)Nc1cccc(Cl)c1)CNC(=O)Nc1cccc(Cl)c1 ZINC000016637598 556149013 /nfs/dbraw/zinc/14/90/13/556149013.db2.gz PWLIBILEVGDZSV-VWLOTQADSA-N 0 0 493.479 7.303 40 0 JKABRN CCCCCCSCCOCCOCCO[C@@H](CCCCCC)CSCCCCCC ZINC000016637902 556149026 /nfs/dbraw/zinc/14/90/26/556149026.db2.gz MCENOHQJUUWBCE-SANMLTNESA-N 0 0 478.849 8.002 40 0 JKABRN CCCC[C@](CC)(CCCNC(=O)c1cccc(OC)c1)CNC(=O)c1cccc(OC)c1 ZINC000016637622 556149029 /nfs/dbraw/zinc/14/90/29/556149029.db2.gz GCMKVIIEPLODPS-HHHXNRCGSA-N 0 0 454.611 5.230 40 0 JKABRN CCCCN(CCCC)c1nc2c(s1)Cc1sc(N(CCCC)CCCC)nc1C2(C)C ZINC000016638735 556149315 /nfs/dbraw/zinc/14/93/15/556149315.db2.gz OPEIGUMXKOMQNY-UHFFFAOYSA-N 0 0 476.800 7.643 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 ZINC000016678257 556150415 /nfs/dbraw/zinc/15/04/15/556150415.db2.gz DBDDVTLXOPTAOG-GOSISDBHSA-N 0 0 487.625 6.924 40 0 JKABRN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2Cl)CC1 ZINC000016681536 556150821 /nfs/dbraw/zinc/15/08/21/556150821.db2.gz FBQBHJJILAKKFL-UHFFFAOYSA-N 0 0 488.813 5.757 40 0 JKABRN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2Cl)CC1 ZINC000016681540 556150859 /nfs/dbraw/zinc/15/08/59/556150859.db2.gz GIZRWGINFOTIBF-UHFFFAOYSA-N 0 0 478.807 6.301 40 0 JKABRN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2Cl)CC1 ZINC000016681538 556150895 /nfs/dbraw/zinc/15/08/95/556150895.db2.gz KBAYHPIDCSAYDE-UHFFFAOYSA-N 0 0 478.807 6.301 40 0 JKABRN CCOC(=O)CSc1c(-c2ccccc2)nc2ccc(Br)cc2c1-c1ccccc1 ZINC000016682866 556151460 /nfs/dbraw/zinc/15/14/60/556151460.db2.gz ALXLEFKEVSQEKJ-UHFFFAOYSA-N 0 0 478.411 6.987 40 0 JKABRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)NN1C ZINC000016682616 556151493 /nfs/dbraw/zinc/15/14/93/556151493.db2.gz JWLCIAGIGZRFMU-HSZRJFAPSA-N 0 0 499.398 5.404 40 0 JKABRN CCOC(=O)c1cccc(COC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)c1 ZINC000016687911 556151826 /nfs/dbraw/zinc/15/18/26/556151826.db2.gz NOPPQIFRAQLXFF-UHFFFAOYSA-N 0 0 490.353 6.198 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)cc1 ZINC000016691521 556153009 /nfs/dbraw/zinc/15/30/09/556153009.db2.gz GCBKPHOTIFQEJN-UHFFFAOYSA-N 0 0 492.420 5.107 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)cc1 ZINC000016691993 556153435 /nfs/dbraw/zinc/15/34/35/556153435.db2.gz MLGOKBCMVSDUST-UHFFFAOYSA-N 0 0 465.962 5.982 40 0 JKABRN CCOc1cccc(C(=O)Nc2nc3ccc(NC(=O)c4cccc(OCC)c4)cc3s2)c1 ZINC000016693205 556153670 /nfs/dbraw/zinc/15/36/70/556153670.db2.gz DJXPAFCIXZUSCU-UHFFFAOYSA-N 0 0 461.543 5.598 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000016693181 556153674 /nfs/dbraw/zinc/15/36/74/556153674.db2.gz ZDUKZQDCZMWFQB-UHFFFAOYSA-N 0 0 481.581 5.408 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1Br ZINC000016692151 556153725 /nfs/dbraw/zinc/15/37/25/556153725.db2.gz WPXMNNFFTNSCNK-UHFFFAOYSA-N 0 0 470.801 5.238 40 0 JKABRN CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000016711416 556154019 /nfs/dbraw/zinc/15/40/19/556154019.db2.gz QJCDPYAQTFUHNY-GYHWCHFESA-N 0 0 469.408 5.029 40 0 JKABRN COc1ccc(C)cc1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000016713338 556154385 /nfs/dbraw/zinc/15/43/85/556154385.db2.gz QJVBQXCVYSMVJU-UHFFFAOYSA-N 0 0 455.992 6.060 40 0 JKABRN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000016739520 556156188 /nfs/dbraw/zinc/15/61/88/556156188.db2.gz LGIIBFDHEMHLTR-UHFFFAOYSA-N 0 0 478.411 6.943 40 0 JKABRN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000016739503 556156237 /nfs/dbraw/zinc/15/62/37/556156237.db2.gz BUYYSMCQLHMTSM-FQEVSTJZSA-N 0 0 473.551 7.084 40 0 JKABRN CC(C)COC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 ZINC000016739532 556156443 /nfs/dbraw/zinc/15/64/43/556156443.db2.gz MSCKIBAFIZVYJR-IZLXSDGUSA-N 0 0 457.574 5.410 40 0 JKABRN CC(C)COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 ZINC000016739531 556156510 /nfs/dbraw/zinc/15/65/10/556156510.db2.gz MSCKIBAFIZVYJR-WUFINQPMSA-N 0 0 457.574 5.410 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)n2N)cc1 ZINC000016755739 556157785 /nfs/dbraw/zinc/15/77/85/556157785.db2.gz VXTBXKRXSHMUOM-UHFFFAOYSA-N 0 0 486.626 5.283 40 0 JKABRN CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757788 556157791 /nfs/dbraw/zinc/15/77/91/556157791.db2.gz IBXMWAPKZZRVCD-FQEVSTJZSA-N 0 0 451.979 6.175 40 0 JKABRN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccc(C)cc2C)cc1 ZINC000016757530 556157800 /nfs/dbraw/zinc/15/78/00/556157800.db2.gz QSBKDFQVVZETLQ-UHFFFAOYSA-N 0 0 465.622 7.395 40 0 JKABRN CC(=O)Nc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000016755614 556157807 /nfs/dbraw/zinc/15/78/07/556157807.db2.gz BKDXJWDQRJJHCA-UHFFFAOYSA-N 0 0 468.991 5.701 40 0 JKABRN CCOC(=O)C[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000016757527 556157813 /nfs/dbraw/zinc/15/78/13/556157813.db2.gz LUEIXVQSUXIXDM-QFIPXVFZSA-N 0 0 475.614 6.310 40 0 JKABRN CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757881 556157817 /nfs/dbraw/zinc/15/78/17/556157817.db2.gz RPDWGMOHILMGIR-HXUWFJFHSA-N 0 0 451.979 6.175 40 0 JKABRN Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1 ZINC000016757997 556158059 /nfs/dbraw/zinc/15/80/59/556158059.db2.gz TVWLJZLRBQCXDQ-UHFFFAOYSA-N 0 0 486.438 7.451 40 0 JKABRN CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757942 556158079 /nfs/dbraw/zinc/15/80/79/556158079.db2.gz WVJNBOZEJXNTIA-OAHLLOKOSA-N 0 0 482.403 5.894 40 0 JKABRN CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)C(=O)OC ZINC000016757966 556158183 /nfs/dbraw/zinc/15/81/83/556158183.db2.gz JPTYEYFJWNQSBO-IBGZPJMESA-N 0 0 482.403 5.894 40 0 JKABRN CC(C)N(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016768295 556158421 /nfs/dbraw/zinc/15/84/21/556158421.db2.gz RLEHINLJINKLMV-UHFFFAOYSA-N 0 0 452.989 7.156 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(Cc2ccccc2)C(C)C)cc1Cl ZINC000016768308 556158470 /nfs/dbraw/zinc/15/84/70/556158470.db2.gz GATFXYLBCIIZKA-UHFFFAOYSA-N 0 0 467.016 7.464 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCC(=O)c2ccccc2)cc1Cl ZINC000016758096 556158490 /nfs/dbraw/zinc/15/84/90/556158490.db2.gz GUKRJPLCVKQSFN-UHFFFAOYSA-N 0 0 469.997 7.024 40 0 JKABRN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000016768187 556158508 /nfs/dbraw/zinc/15/85/08/556158508.db2.gz MWKSXAUFBCKLNX-UHFFFAOYSA-N 0 0 460.580 5.995 40 0 JKABRN CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758061 556158526 /nfs/dbraw/zinc/15/85/26/556158526.db2.gz MQJXYFYMQIZUPU-NRFANRHFSA-N 0 0 466.006 6.483 40 0 JKABRN COC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccccc3)c3c1CCc1occc1-3)CCCC2 ZINC000016778517 556158762 /nfs/dbraw/zinc/15/87/62/556158762.db2.gz APVXHQPIWZVQEQ-UHFFFAOYSA-N 0 0 473.554 5.210 40 0 JKABRN COc1ccccc1OCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000016776857 556158798 /nfs/dbraw/zinc/15/87/98/556158798.db2.gz SHHYUVCIRJHBQQ-HSZRJFAPSA-N 0 0 469.585 5.420 40 0 JKABRN COc1ccccc1OCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 ZINC000016776833 556158819 /nfs/dbraw/zinc/15/88/19/556158819.db2.gz UCCPIFLOSFHMST-FQEVSTJZSA-N 0 0 490.003 5.996 40 0 JKABRN CC(C)N(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016768367 556158833 /nfs/dbraw/zinc/15/88/33/556158833.db2.gz VMDJTSJPHCEBBM-UHFFFAOYSA-N 0 0 497.440 7.265 40 0 JKABRN Cc1ccc(S[C@@H]2CSc3nc(=O)c4c5c(sc4n3[C@@H]2c2ccccc2)CCCC5)cc1 ZINC000016779166 556159104 /nfs/dbraw/zinc/15/91/04/556159104.db2.gz ZVOVFWJSITYQJN-FYYLOGMGSA-N 0 0 476.692 6.501 40 0 JKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccc(F)cc3)cc21 ZINC000016779597 556159108 /nfs/dbraw/zinc/15/91/08/556159108.db2.gz FGUJAALJXQXOLT-UHFFFAOYSA-N 0 0 450.535 5.698 40 0 JKABRN O=c1nc2n(c3sc4c(c31)CCCC4)[C@@H](c1ccccc1)[C@@H](Sc1ccccc1)CS2 ZINC000016779164 556159117 /nfs/dbraw/zinc/15/91/17/556159117.db2.gz YFWOPFLPBSMLDU-UNMCSNQZSA-N 0 0 462.665 6.193 40 0 JKABRN O=c1nc2n(c3sc4c(c31)CCCC4)[C@@H](c1ccccc1)[C@H](Sc1ccccc1)CS2 ZINC000016779162 556159152 /nfs/dbraw/zinc/15/91/52/556159152.db2.gz YFWOPFLPBSMLDU-IRLDBZIGSA-N 0 0 462.665 6.193 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccc(F)cc3)cc21 ZINC000016779642 556159523 /nfs/dbraw/zinc/15/95/23/556159523.db2.gz BCZHKVBRTHOJOP-UHFFFAOYSA-N 0 0 480.561 5.672 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccc(F)cc1)c(C)c2C ZINC000016779644 556159564 /nfs/dbraw/zinc/15/95/64/556159564.db2.gz VRXNUDZOWBZHQX-UHFFFAOYSA-N 0 0 494.588 5.981 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016788690 556159591 /nfs/dbraw/zinc/15/95/91/556159591.db2.gz MGCQLHRKLHJZKO-UHFFFAOYSA-N 0 0 492.910 5.989 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccc(Cl)cc2)cc1 ZINC000016788811 556159720 /nfs/dbraw/zinc/15/97/20/556159720.db2.gz AJGOSEQSPWKUII-UHFFFAOYSA-N 0 0 452.942 5.766 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000016788708 556159772 /nfs/dbraw/zinc/15/97/72/556159772.db2.gz WSSJDWQGRBIEMC-UHFFFAOYSA-N 0 0 469.397 6.280 40 0 JKABRN COc1ccc(-n2c(SCc3cccc(Br)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000016788910 556159983 /nfs/dbraw/zinc/15/99/83/556159983.db2.gz VBMUMVJHZCBCIM-UHFFFAOYSA-N 0 0 486.822 6.651 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccc(C)cc2)cc1 ZINC000016788844 556160000 /nfs/dbraw/zinc/16/00/00/556160000.db2.gz KWMVTDDWQLDDSP-UHFFFAOYSA-N 0 0 458.587 5.599 40 0 JKABRN CC(C)(C)c1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788883 556160027 /nfs/dbraw/zinc/16/00/27/556160027.db2.gz MDOVFUNNSZYRSF-UHFFFAOYSA-N 0 0 468.453 7.831 40 0 JKABRN Clc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2-c2ccccc2)cc1 ZINC000016788867 556160060 /nfs/dbraw/zinc/16/00/60/556160060.db2.gz OHKFEBBQXQDLIR-UHFFFAOYSA-N 0 0 456.796 6.643 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccc(C)cc2)cc1 ZINC000016788850 556160090 /nfs/dbraw/zinc/16/00/90/556160090.db2.gz FSKXCWGXXUAMAX-UHFFFAOYSA-N 0 0 463.990 6.270 40 0 JKABRN Cc1cccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)n2-c2ccc(Cl)cc2)c1 ZINC000016788972 556160224 /nfs/dbraw/zinc/16/02/24/556160224.db2.gz BDBLDNGMEHDFQZ-UHFFFAOYSA-N 0 0 469.997 7.024 40 0 JKABRN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2-c2ccc(Cl)cc2)c1 ZINC000016789116 556160232 /nfs/dbraw/zinc/16/02/32/556160232.db2.gz QFDRCMOZBPXVTP-UHFFFAOYSA-N 0 0 486.931 5.605 40 0 JKABRN Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000016789077 556160261 /nfs/dbraw/zinc/16/02/61/556160261.db2.gz KPDJQKUCUCZNTI-UHFFFAOYSA-N 0 0 472.614 6.303 40 0 JKABRN COc1ccc(-c2nnc(SCc3cccc(Br)c3)n2-c2ccc(C)cc2)cc1 ZINC000016789051 556160311 /nfs/dbraw/zinc/16/03/11/556160311.db2.gz TVDCVMJXAGMNSF-UHFFFAOYSA-N 0 0 466.404 6.306 40 0 JKABRN COc1ccccc1-c1nnc(SCC(=O)c2ccc3ccccc3c2)n1-c1ccc(Cl)cc1 ZINC000016789016 556160314 /nfs/dbraw/zinc/16/03/14/556160314.db2.gz JBLGMQATTXFYSV-UHFFFAOYSA-N 0 0 485.996 6.725 40 0 JKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000016789191 556160522 /nfs/dbraw/zinc/16/05/22/556160522.db2.gz TUJDPXBLAZVBGN-UHFFFAOYSA-N 0 0 489.815 6.625 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)c(Cl)c3)nnc2-c2cccc(Cl)c2)cc1 ZINC000016789219 556160530 /nfs/dbraw/zinc/16/05/30/556160530.db2.gz GDCCQOOEMQMSNK-UHFFFAOYSA-N 0 0 488.827 7.178 40 0 JKABRN CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 ZINC000016789193 556160547 /nfs/dbraw/zinc/16/05/47/556160547.db2.gz GHDOKEPTDHCWBM-UHFFFAOYSA-N 0 0 477.033 6.616 40 0 JKABRN Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)c2ccc3ccccc3c2)cc1 ZINC000016789248 556160571 /nfs/dbraw/zinc/16/05/71/556160571.db2.gz WORCROYSMHILTL-UHFFFAOYSA-N 0 0 465.578 6.283 40 0 JKABRN COc1cccc(-c2nnc(SCc3cccc(Br)c3)n2-c2ccc(Cl)cc2)c1 ZINC000016789126 556160602 /nfs/dbraw/zinc/16/06/02/556160602.db2.gz CUAGIHRSYWZHOJ-UHFFFAOYSA-N 0 0 486.822 6.651 40 0 JKABRN COc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccc(OC)c2)cc1 ZINC000016789136 556160623 /nfs/dbraw/zinc/16/06/23/556160623.db2.gz XBVMEPLBCHZZAG-UHFFFAOYSA-N 0 0 459.615 6.541 40 0 JKABRN CC[C@@](C)(Nc1ccc(C)cc1)c1nnnn1[C@H](/C=C/c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000012952812 556160754 /nfs/dbraw/zinc/16/07/54/556160754.db2.gz LIJIUTCRNKZDLS-SPMHVMOUSA-N 0 0 472.464 7.326 40 0 JKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 ZINC000016789338 556160784 /nfs/dbraw/zinc/16/07/84/556160784.db2.gz ARZNTQDNOHZBNW-UHFFFAOYSA-N 0 0 472.614 5.756 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2-c2ccccc2)cc1 ZINC000016789366 556160858 /nfs/dbraw/zinc/16/08/58/556160858.db2.gz DVXDSJMXPDPRRH-UHFFFAOYSA-N 0 0 499.423 6.192 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2-c2ccccc2)cc1 ZINC000016789322 556160886 /nfs/dbraw/zinc/16/08/86/556160886.db2.gz UUTWYGMISZTBIJ-UHFFFAOYSA-N 0 0 462.550 5.333 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc2-c2ccccn2)cc1 ZINC000016789529 556161012 /nfs/dbraw/zinc/16/10/12/556161012.db2.gz WKEMSGPRBXUDAX-UHFFFAOYSA-N 0 0 485.491 5.088 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3C)nnc2-c2ccccn2)cc1 ZINC000016789489 556161022 /nfs/dbraw/zinc/16/10/22/556161022.db2.gz CCPMHRISQYSEEU-UHFFFAOYSA-N 0 0 494.418 5.439 40 0 JKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1ccc(Br)cc1 ZINC000016805105 556161331 /nfs/dbraw/zinc/16/13/31/556161331.db2.gz LDFUWACFJAGPSP-UHFFFAOYSA-N 0 0 490.835 6.505 40 0 JKABRN COc1cccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(Cl)cc2)c1 ZINC000016789607 556161353 /nfs/dbraw/zinc/16/13/53/556161353.db2.gz DFICQBBNVSWZOY-UHFFFAOYSA-N 0 0 471.007 5.312 40 0 JKABRN Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@H](Sc2ccc(C)cc2)CS1 ZINC000016807326 556162410 /nfs/dbraw/zinc/16/24/10/556162410.db2.gz UYCLCWNHDPIKGH-TZIWHRDSSA-N 0 0 450.654 6.239 40 0 JKABRN O=C(c1ccccc1)C1C(/C=C\c2ccccc2)C(C(=O)c2ccccc2)C1/C=C\c1ccccc1 ZINC000016932039 556180992 /nfs/dbraw/zinc/18/09/92/556180992.db2.gz LGQBEAZGINLCLF-SXAUZNKPSA-N 0 0 468.596 7.657 40 0 JKABRN COc1ccc2ncc(COC(=O)NC3CCCCC3)c(COC(=O)NC3CCCCC3)c2c1 ZINC000016940925 556181031 /nfs/dbraw/zinc/18/10/31/556181031.db2.gz NNCFTDCCYYLYPC-UHFFFAOYSA-N 0 0 469.582 5.361 40 0 JKABRN O=C(c1ccccc1)[C@@H](c1ccccc1)C(c1ccccc1)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000016952953 556183834 /nfs/dbraw/zinc/18/38/34/556183834.db2.gz SCCYGMDHAOIIGV-DNLKRGSKSA-N 0 0 480.607 8.104 40 0 JKABRN Cc1ccc2c(c1)[nH]c(=S)n2C=C(c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000016958428 556189170 /nfs/dbraw/zinc/18/91/70/556189170.db2.gz QIDIVFYDKLJRMW-LPYMAVHISA-N 0 0 489.449 6.885 40 0 JKABRN Cc1ccc(Cn2c3nnc(SCc4cccc5ccccc54)n3c3ccccc3c2=O)cc1 ZINC000025389742 556211882 /nfs/dbraw/zinc/21/18/82/556211882.db2.gz RRQIPOCELYEVGV-UHFFFAOYSA-N 0 0 462.578 5.846 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013024382 556214218 /nfs/dbraw/zinc/21/42/18/556214218.db2.gz JNVPCVJDPLZXKD-HHHXNRCGSA-N 0 0 483.616 5.127 40 0 JKABRN CC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013024956 556215194 /nfs/dbraw/zinc/21/51/94/556215194.db2.gz LWRZQLXDEDSXGT-DEOSSOPVSA-N 0 0 464.949 5.583 40 0 JKABRN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccc2ccccc2c1 ZINC000017083418 556215370 /nfs/dbraw/zinc/21/53/70/556215370.db2.gz HBVBCNPMRVRKAR-HHHXNRCGSA-N 0 0 486.365 5.610 40 0 JKABRN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccc(Br)c1 ZINC000017083445 556215414 /nfs/dbraw/zinc/21/54/14/556215414.db2.gz GHVMTUFSXHIUHZ-QHCPKHFHSA-N 0 0 470.750 5.110 40 0 JKABRN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1cccc(Br)c1 ZINC000017083459 556215415 /nfs/dbraw/zinc/21/54/15/556215415.db2.gz ZNIVTMROJWZGAX-QHCPKHFHSA-N 0 0 470.750 5.110 40 0 JKABRN COc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000013024973 556215489 /nfs/dbraw/zinc/21/54/89/556215489.db2.gz DDJQEQZTZHFLNE-HSZRJFAPSA-N 0 0 452.938 5.389 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)cc1 ZINC000013025502 556216095 /nfs/dbraw/zinc/21/60/95/556216095.db2.gz UAMLISVNFCNTJU-SANMLTNESA-N 0 0 474.557 5.328 40 0 JKABRN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F ZINC000017086288 556216305 /nfs/dbraw/zinc/21/63/05/556216305.db2.gz SNSGRQHWQBLBPI-SANMLTNESA-N 0 0 499.546 5.241 40 0 JKABRN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000017086294 556216329 /nfs/dbraw/zinc/21/63/29/556216329.db2.gz HMKJMBQYZKVQBS-VWLOTQADSA-N 0 0 485.975 5.747 40 0 JKABRN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000017086283 556216333 /nfs/dbraw/zinc/21/63/33/556216333.db2.gz DKZHDYIOVVGUAH-RUZDIDTESA-N 0 0 485.975 5.747 40 0 JKABRN CC[C@@H](C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013025642 556216313 /nfs/dbraw/zinc/21/63/13/556216313.db2.gz YSRCABYLHXVCNG-HOYKHHGWSA-N 0 0 450.604 6.302 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(OC)c2)cc1 ZINC000013025528 556216317 /nfs/dbraw/zinc/21/63/17/556216317.db2.gz GNQKPSQEJNUKLM-VWLOTQADSA-N 0 0 462.546 5.134 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(C)ccc2OC)cc1 ZINC000013025535 556216325 /nfs/dbraw/zinc/21/63/25/556216325.db2.gz RRZAXTORBUEQEZ-SANMLTNESA-N 0 0 476.573 5.442 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(OC)c2)cc1 ZINC000013025526 556216372 /nfs/dbraw/zinc/21/63/72/556216372.db2.gz GNQKPSQEJNUKLM-RUZDIDTESA-N 0 0 462.546 5.134 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccc(C2CCCCC2)cc1 ZINC000013025637 556216401 /nfs/dbraw/zinc/21/64/01/556216401.db2.gz NJDGLTSBTZEPQW-SANMLTNESA-N 0 0 476.642 6.836 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013025758 556216575 /nfs/dbraw/zinc/21/65/75/556216575.db2.gz DPMQWHYBPHAGST-DEOSSOPVSA-N 0 0 450.510 5.264 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013025770 556216586 /nfs/dbraw/zinc/21/65/86/556216586.db2.gz SYMREYBGBHXCSN-DEOSSOPVSA-N 0 0 450.510 5.264 40 0 JKABRN CCn1c2ccccc2c2cc([C@H](C(=O)NC3CCCC3)N(C(=O)c3ccco3)C3CCCC3)ccc21 ZINC000013025652 556216635 /nfs/dbraw/zinc/21/66/35/556216635.db2.gz BHYDXBCVIYOFNI-GDLZYMKVSA-N 0 0 497.639 6.592 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(F)(F)F)c2)c1 ZINC000013025838 556216914 /nfs/dbraw/zinc/21/69/14/556216914.db2.gz LVTZLJZCZPMEFQ-QHCPKHFHSA-N 0 0 486.490 5.754 40 0 JKABRN Nc1nc2nn(Cc3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)c(Cl)c3)c2c(=O)[nH]1 ZINC000017105172 556217048 /nfs/dbraw/zinc/21/70/48/556217048.db2.gz QJSDAQPSEQWGQN-UHFFFAOYSA-N 0 0 455.132 5.031 40 0 JKABRN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000017106199 556217087 /nfs/dbraw/zinc/21/70/87/556217087.db2.gz WWWILLQYIBPKKB-RUZDIDTESA-N 0 0 483.426 8.167 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)c1OC ZINC000013026055 556217537 /nfs/dbraw/zinc/21/75/37/556217537.db2.gz QJYSYEHOEYNABI-DEOSSOPVSA-N 0 0 462.546 5.052 40 0 JKABRN CCOc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccc(OC)c1OC ZINC000013026042 556217564 /nfs/dbraw/zinc/21/75/64/556217564.db2.gz VBYYGUIQCOBNIW-RUZDIDTESA-N 0 0 492.572 5.142 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2)c1OC ZINC000013026063 556217566 /nfs/dbraw/zinc/21/75/66/556217566.db2.gz QPHDQMGAKDKGTP-DEOSSOPVSA-N 0 0 462.546 5.052 40 0 JKABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2)cc(OC)c1OC ZINC000013026228 556217816 /nfs/dbraw/zinc/21/78/16/556217816.db2.gz KSSXQLFGLFXNMZ-VWLOTQADSA-N 0 0 492.572 5.061 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2C)c1OC ZINC000013026078 556217820 /nfs/dbraw/zinc/21/78/20/556217820.db2.gz LFHCSJBXULDCKY-RUZDIDTESA-N 0 0 476.573 5.361 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)c1OC ZINC000013026082 556217841 /nfs/dbraw/zinc/21/78/41/556217841.db2.gz VRWINSDTHRJLFM-XMMPIXPASA-N 0 0 462.546 5.052 40 0 JKABRN COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2)cc(OC)c1OC ZINC000013026225 556217862 /nfs/dbraw/zinc/21/78/62/556217862.db2.gz KSSXQLFGLFXNMZ-RUZDIDTESA-N 0 0 492.572 5.061 40 0 JKABRN COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)cc(OC)c1OC ZINC000013026267 556217886 /nfs/dbraw/zinc/21/78/86/556217886.db2.gz RRGFUMOERCGGCX-RUZDIDTESA-N 0 0 492.572 5.061 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)cc1OC ZINC000013026346 556218410 /nfs/dbraw/zinc/21/84/10/556218410.db2.gz PESJXOJRGASCRW-XMMPIXPASA-N 0 0 482.964 5.397 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026417 556218416 /nfs/dbraw/zinc/21/84/16/556218416.db2.gz OHMYSWTZBBEMTQ-SANMLTNESA-N 0 0 492.572 5.142 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(C)cc(C)c2)cc1OC ZINC000013026436 556218471 /nfs/dbraw/zinc/21/84/71/556218471.db2.gz HKBMTJKPAWVINT-AREMUKBSSA-N 0 0 476.573 5.361 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)c2ccco2)cc1 ZINC000013026500 556218668 /nfs/dbraw/zinc/21/86/68/556218668.db2.gz FFIPALJBMXXACN-DEOSSOPVSA-N 0 0 466.965 5.384 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)C)cc2)cc1OC ZINC000013026456 556218726 /nfs/dbraw/zinc/21/87/26/556218726.db2.gz JNAFSBKAWWLRRA-HHHXNRCGSA-N 0 0 490.600 5.867 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(Cl)cc2)cc1 ZINC000013026528 556218738 /nfs/dbraw/zinc/21/87/38/556218738.db2.gz UQZALNOZOXFORK-QHCPKHFHSA-N 0 0 452.938 5.389 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)c2ccco2)cc1 ZINC000013026487 556218769 /nfs/dbraw/zinc/21/87/69/556218769.db2.gz NLCQBYGKZCLINO-RUZDIDTESA-N 0 0 450.579 5.421 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000013026612 556219174 /nfs/dbraw/zinc/21/91/74/556219174.db2.gz HUFRYQMWYJTXEE-VWLOTQADSA-N 0 0 462.546 5.134 40 0 JKABRN COc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000013026701 556219181 /nfs/dbraw/zinc/21/91/81/556219181.db2.gz VVFBPHSYCHMJJN-MHZLTWQESA-N 0 0 474.601 5.854 40 0 JKABRN CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 ZINC000013026740 556219189 /nfs/dbraw/zinc/21/91/89/556219189.db2.gz DVVHKUPOBJDLIZ-MHZLTWQESA-N 0 0 488.584 5.621 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(OC)cc2)C(=O)c2ccco2)cc1 ZINC000013026791 556219507 /nfs/dbraw/zinc/21/95/07/556219507.db2.gz XRTSRVXMDWDBMW-SANMLTNESA-N 0 0 460.574 5.293 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 ZINC000013026811 556219520 /nfs/dbraw/zinc/21/95/20/556219520.db2.gz XPPQSIDBVXREEW-AREMUKBSSA-N 0 0 474.557 5.060 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(NC(C)=O)cc2)cc1 ZINC000013026805 556219528 /nfs/dbraw/zinc/21/95/28/556219528.db2.gz BRAYSMJLXDUXCI-SANMLTNESA-N 0 0 473.573 5.247 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccc(OC)c2)C(=O)c2ccco2)cc1 ZINC000013026785 556219546 /nfs/dbraw/zinc/21/95/46/556219546.db2.gz QAWKJFPMPBLZQP-SANMLTNESA-N 0 0 460.574 5.293 40 0 JKABRN COc1ccc(CCN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC ZINC000013026829 556219561 /nfs/dbraw/zinc/21/95/61/556219561.db2.gz XGNJHOXCLLTMQC-HHHXNRCGSA-N 0 0 490.600 5.090 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1nsc(Cl)c1Cl)C1CCCCC1 ZINC000013027199 556220113 /nfs/dbraw/zinc/22/01/13/556220113.db2.gz FKMCFGRRUMGLQQ-FQEVSTJZSA-N 0 0 498.451 6.164 40 0 JKABRN O=C(CSc1nc(CCc2ccccc2)nc2sc3c(c21)CCCC3)N1CCCCCC1 ZINC000013027890 556221039 /nfs/dbraw/zinc/22/10/39/556221039.db2.gz KKCLUPQNBKDUKC-UHFFFAOYSA-N 0 0 465.688 5.850 40 0 JKABRN CCc1nnc(NC(=O)CSc2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)s1 ZINC000013027828 556221064 /nfs/dbraw/zinc/22/10/64/556221064.db2.gz JORZFJNHOSKZBJ-UHFFFAOYSA-N 0 0 495.699 5.500 40 0 JKABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nc(-c5ccccc5)cs4)n21)CCCC3 ZINC000013028003 556221353 /nfs/dbraw/zinc/22/13/53/556221353.db2.gz WUGWNRKWLKXHIH-UHFFFAOYSA-N 0 0 492.655 5.381 40 0 JKABRN CCCc1nc2sc(C)c(C)c2c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000013027956 556221358 /nfs/dbraw/zinc/22/13/58/556221358.db2.gz CRROYQIACOWCIA-UHFFFAOYSA-N 0 0 477.680 7.182 40 0 JKABRN CCCc1nc2ccc(NC(=O)CCC(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000013028233 556221660 /nfs/dbraw/zinc/22/16/60/556221660.db2.gz WAIYLYSWDFQIFW-UHFFFAOYSA-N 0 0 497.595 5.346 40 0 JKABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1 ZINC000013030176 556225033 /nfs/dbraw/zinc/22/50/33/556225033.db2.gz PIRRNCSMFMVDEM-NDEPHWFRSA-N 0 0 499.590 5.021 40 0 JKABRN Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013030170 556225036 /nfs/dbraw/zinc/22/50/36/556225036.db2.gz PYKLFHQVVJLUBW-NDEPHWFRSA-N 0 0 499.590 5.021 40 0 JKABRN Cc1cccc(C)c1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030161 556225043 /nfs/dbraw/zinc/22/50/43/556225043.db2.gz LAFJZCYFKFQSOK-MUUNZHRXSA-N 0 0 499.590 5.021 40 0 JKABRN COC(=O)O[C@@H]1CC[C@@]2(C)C(=C([N+](=O)[O-])C[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000025663863 556228595 /nfs/dbraw/zinc/22/85/95/556228595.db2.gz SATADCCDWJFFDF-ZZPTWHOLSA-N 0 0 489.697 7.784 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013032205 556230559 /nfs/dbraw/zinc/23/05/59/556230559.db2.gz FUUPRKXMVDIHIP-SANMLTNESA-N 0 0 487.604 5.029 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013032679 556231785 /nfs/dbraw/zinc/23/17/85/556231785.db2.gz XUNITPPPPQBGMU-RUZDIDTESA-N 0 0 489.645 5.189 40 0 JKABRN COc1cc(/C=C/c2ccc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC ZINC000017193283 556237716 /nfs/dbraw/zinc/23/77/16/556237716.db2.gz GYBCOHLPFDSXRN-HEEUSZRZSA-N 0 0 462.542 6.079 40 0 JKABRN COc1cc(/C=C\c2ccc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC ZINC000017193279 556237732 /nfs/dbraw/zinc/23/77/32/556237732.db2.gz GYBCOHLPFDSXRN-XSYHWHKQSA-N 0 0 462.542 6.079 40 0 JKABRN Clc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(Cl)c1 ZINC000017197395 556238834 /nfs/dbraw/zinc/23/88/34/556238834.db2.gz DFEKIJNKYDAGJE-OAQYLSRUSA-N 0 0 453.221 8.658 40 0 JKABRN CC(C)(C)[C@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017221532 556242440 /nfs/dbraw/zinc/24/24/40/556242440.db2.gz ABGJUPJVFXHECK-NIQVJZJISA-N 0 0 461.005 6.654 40 0 JKABRN CC(C)(C)[C@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017221537 556242844 /nfs/dbraw/zinc/24/28/44/556242844.db2.gz ABGJUPJVFXHECK-AFZMZZQISA-N 0 0 461.005 6.654 40 0 JKABRN CSc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C(=O)N1CCCC1 ZINC000026114503 556245144 /nfs/dbraw/zinc/24/51/44/556245144.db2.gz QVGCLCUQJMXAIY-UHFFFAOYSA-N 0 0 480.655 5.036 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)N1CCCCC1 ZINC000026116122 556246317 /nfs/dbraw/zinc/24/63/17/556246317.db2.gz IVEQLXVQIVGGBJ-UHFFFAOYSA-N 0 0 492.972 5.508 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118291 556247544 /nfs/dbraw/zinc/24/75/44/556247544.db2.gz PUCDYXLWCITRAY-UHFFFAOYSA-N 0 0 496.654 5.874 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118327 556247590 /nfs/dbraw/zinc/24/75/90/556247590.db2.gz LTQQHPHUWSUCSB-UHFFFAOYSA-N 0 0 472.554 5.100 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000026118607 556247885 /nfs/dbraw/zinc/24/78/85/556247885.db2.gz DIUZKLBBRJNQEH-UHFFFAOYSA-N 0 0 453.029 5.043 40 0 JKABRN CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000026118503 556247930 /nfs/dbraw/zinc/24/79/30/556247930.db2.gz WIQGONNLEMAVEJ-UHFFFAOYSA-N 0 0 487.474 5.066 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118627 556247972 /nfs/dbraw/zinc/24/79/72/556247972.db2.gz LPWVYISUYRPPGJ-UHFFFAOYSA-N 0 0 453.029 5.043 40 0 JKABRN CC(C)(C)[C@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253573 556248335 /nfs/dbraw/zinc/24/83/35/556248335.db2.gz CPQWLSMXDCOCJE-NIQVJZJISA-N 0 0 461.005 6.654 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000026119401 556248487 /nfs/dbraw/zinc/24/84/87/556248487.db2.gz NUEDJLWARWVTTN-UHFFFAOYSA-N 0 0 473.447 5.388 40 0 JKABRN CSc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000026119366 556248551 /nfs/dbraw/zinc/24/85/51/556248551.db2.gz PUCLRHGYDFBBLZ-UHFFFAOYSA-N 0 0 494.682 5.349 40 0 JKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000026124236 556249736 /nfs/dbraw/zinc/24/97/36/556249736.db2.gz NWZQCLNJHQGUGM-UHFFFAOYSA-N 0 0 463.324 6.548 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000026124588 556249779 /nfs/dbraw/zinc/24/97/79/556249779.db2.gz SHHOGNJWHPKRED-UHFFFAOYSA-N 0 0 497.769 7.201 40 0 JKABRN CCOc1ccc([C@@]2(O)c3ccccc3-c3ccccc3[C@@]2(O)c2ccc(OCC)cc2)cc1 ZINC000017287979 556251139 /nfs/dbraw/zinc/25/11/39/556251139.db2.gz BWBGCCNQWGQCPW-RNPORBBMSA-N 0 0 452.550 5.636 40 0 JKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000026399634 556253080 /nfs/dbraw/zinc/25/30/80/556253080.db2.gz ABJRERBHMTWCNF-UHFFFAOYSA-N 0 0 490.612 5.900 40 0 JKABRN Cc1ccc(Cl)cc1N1CCN([C@H](c2nnnn2C(C)(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC000026438914 556253733 /nfs/dbraw/zinc/25/37/33/556253733.db2.gz RQAGQGXQQDEKCB-NRFANRHFSA-N 0 0 492.977 5.320 40 0 JKABRN CC(C)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000013061998 556257256 /nfs/dbraw/zinc/25/72/56/556257256.db2.gz MCBFPZJIBRLABJ-PCCBWWKXSA-N 0 0 480.605 5.162 40 0 JKABRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000026580622 556257555 /nfs/dbraw/zinc/25/75/55/556257555.db2.gz MDSCNWOCJDYGAR-CHHVJCJISA-N 0 0 460.791 6.564 40 0 JKABRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000026641766 556258472 /nfs/dbraw/zinc/25/84/72/556258472.db2.gz JNDZVQMHWURXJH-APSNUPSMSA-N 0 0 474.818 6.954 40 0 JKABRN CCCC[PH](CCCC)(CCCC)CC(=O)C[PH](CCCC)(CCCC)CCCC ZINC000017427813 556260794 /nfs/dbraw/zinc/26/07/94/556260794.db2.gz CSJRTOGARVMQHT-UHFFFAOYSA-N 0 0 462.724 8.856 40 0 JKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C(F)(F)F)c2)c2cccnc2)c1C ZINC000026770929 556260848 /nfs/dbraw/zinc/26/08/48/556260848.db2.gz HHGBQCGGUODOIG-HSZRJFAPSA-N 0 0 481.543 7.233 40 0 JKABRN CCOc1ccc(N[C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccncc2)cc1 ZINC000026770940 556260858 /nfs/dbraw/zinc/26/08/58/556260858.db2.gz MVXNMYIHBFVFQY-RUZDIDTESA-N 0 0 457.599 6.612 40 0 JKABRN CCOc1ccc(N[C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccncc2)cc1 ZINC000026770938 556260884 /nfs/dbraw/zinc/26/08/84/556260884.db2.gz MVXNMYIHBFVFQY-VWLOTQADSA-N 0 0 457.599 6.612 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN([C@@H](CC)c3nnnn3CCc3ccccc3)C3CCCC3)cc2c1 ZINC000013063760 556261180 /nfs/dbraw/zinc/26/11/80/556261180.db2.gz PQWPMNYTVWJBAI-MHZLTWQESA-N 0 0 484.648 5.216 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN([C@H](CC)c3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000013063739 556261216 /nfs/dbraw/zinc/26/12/16/556261216.db2.gz CVYLMXQLSJXPDC-AREMUKBSSA-N 0 0 488.611 5.160 40 0 JKABRN 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CC[C@H](c1nnnn1C1CCCCC1)N(CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064850 556262941 /nfs/dbraw/zinc/26/29/41/556262941.db2.gz MFZQMZYWEVAYPL-MUUNZHRXSA-N 0 0 498.675 5.833 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065031 556263208 /nfs/dbraw/zinc/26/32/08/556263208.db2.gz JMLMKZONVXUWTI-VWLOTQADSA-N 0 0 486.664 5.473 40 0 JKABRN Cc1c(NC(=O)c2ccc(Br)cc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccccc1 ZINC000026786935 556263250 /nfs/dbraw/zinc/26/32/50/556263250.db2.gz AWMXJXGSJAFFMP-UHFFFAOYSA-N 0 0 488.403 5.672 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064882 556263290 /nfs/dbraw/zinc/26/32/90/556263290.db2.gz LNNXXMFCKHQIAS-AREMUKBSSA-N 0 0 470.621 5.076 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCCC1)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065055 556263355 /nfs/dbraw/zinc/26/33/55/556263355.db2.gz ABTBSANQSGNFSY-MHZLTWQESA-N 0 0 498.675 5.833 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065112 556263639 /nfs/dbraw/zinc/26/36/39/556263639.db2.gz NAPNRVGWOBQSMO-RUZDIDTESA-N 0 0 488.611 5.215 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCCc4ccccc4)c23)C1 ZINC000013065322 556263829 /nfs/dbraw/zinc/26/38/29/556263829.db2.gz BYTCTRFZYJWKKW-LJQANCHMSA-N 0 0 479.715 6.171 40 0 JKABRN COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000017699154 556263937 /nfs/dbraw/zinc/26/39/37/556263937.db2.gz OXBPZNNJFYXCNG-CIAFOILYSA-N 0 0 457.486 5.345 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCCCCC4)c23)C1 ZINC000013065342 556264051 /nfs/dbraw/zinc/26/40/51/556264051.db2.gz GTOAYJKGQCVZCJ-QGZVFWFLSA-N 0 0 457.709 6.214 40 0 JKABRN CCCN(Cc1ccccc1)Cn1nc2n(c1=S)c1ccccc1c(=O)n2-c1ccccc1C ZINC000013073525 556273517 /nfs/dbraw/zinc/27/35/17/556273517.db2.gz FGSZSLAJXSDRMW-UHFFFAOYSA-N 0 0 469.614 5.348 40 0 JKABRN 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ZINC000013084156 556281714 /nfs/dbraw/zinc/28/17/14/556281714.db2.gz YNODFKFSZDSSDA-UHFFFAOYSA-N 0 0 468.626 6.249 40 0 JKABRN Cc1ccc(Cn2c3ccccc3n3c(SCC(=O)Nc4ccccc4C(F)(F)F)nnc23)cc1 ZINC000013084139 556281745 /nfs/dbraw/zinc/28/17/45/556281745.db2.gz PQPSYMCTQFMGRZ-UHFFFAOYSA-N 0 0 495.530 5.790 40 0 JKABRN CCCOc1ccc([C@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)cc1OCC ZINC000018067732 556283213 /nfs/dbraw/zinc/28/32/13/556283213.db2.gz MMWXNOTWBPHFDY-PVHODMMVSA-N 0 0 486.568 5.234 40 0 JKABRN COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1ccc(-c2ccc(F)cc2)nn1 ZINC000013086617 556286363 /nfs/dbraw/zinc/28/63/63/556286363.db2.gz VGIQMAUUHPLVOX-MRXNPFEDSA-N 0 0 451.567 5.702 40 0 JKABRN Cc1c(Cl)cccc1N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000027530717 556291008 /nfs/dbraw/zinc/29/10/08/556291008.db2.gz IJHBUTDWEVCWHT-UHFFFAOYSA-N 0 0 486.865 5.197 40 0 JKABRN Cc1ccccc1[C@H]1c2c(O)n(-c3cccc(-c4ccccc4)c3)c(O)c2ON1c1ccccc1 ZINC000018144561 556293904 /nfs/dbraw/zinc/29/39/04/556293904.db2.gz XTKLUZXLKMVELW-PKTNWEFCSA-N 0 0 460.533 5.713 40 0 JKABRN CCCCCCOc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)C(C)=Nc3ncnn32)cc1OC ZINC000027563991 556297507 /nfs/dbraw/zinc/29/75/07/556297507.db2.gz DEVDFEPRBLKQRA-AREMUKBSSA-N 0 0 490.604 5.321 40 0 JKABRN CCCCCCOc1ccc(C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 ZINC000027563963 556297556 /nfs/dbraw/zinc/29/75/56/556297556.db2.gz UZOAXIBWUNEKGO-UHFFFAOYSA-N 0 0 499.563 5.901 40 0 JKABRN CCCCCCOc1ccc([C@H]2C(C(=O)OCCc3ccccc3)C(C)=Nc3ncnn32)cc1OC ZINC000027563994 556297562 /nfs/dbraw/zinc/29/75/62/556297562.db2.gz DEVDFEPRBLKQRA-SANMLTNESA-N 0 0 490.604 5.321 40 0 JKABRN CC(=O)c1cccc(NC(=O)CSc2nnc(CNc3ccccc3C)n2-c2cc(C)ccc2C)c1 ZINC000027753322 556305922 /nfs/dbraw/zinc/30/59/22/556305922.db2.gz KZRSUVARSRNJJG-UHFFFAOYSA-N 0 0 499.640 5.738 40 0 JKABRN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCCCOc3ccccc3)CC2=O)c1 ZINC000027789062 556306936 /nfs/dbraw/zinc/30/69/36/556306936.db2.gz BYOWXPHNLBLVGR-QHCPKHFHSA-N 0 0 453.586 6.115 40 0 JKABRN COc1ccccc1[C@@H]1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(C)cc3)N2C1=S ZINC000018204223 556309265 /nfs/dbraw/zinc/30/92/65/556309265.db2.gz CBEMFFIPAARHSN-QIGHUWCUSA-N 0 0 452.579 5.495 40 0 JKABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000018206372 556309743 /nfs/dbraw/zinc/30/97/43/556309743.db2.gz ONSLCKWIYPZTSG-VSKRKVRLSA-N 0 0 453.325 5.353 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000027987217 556310979 /nfs/dbraw/zinc/31/09/79/556310979.db2.gz QNWGBBKYXONJDM-UHFFFAOYSA-N 0 0 475.953 5.656 40 0 JKABRN COC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc(C)c1-c1ccc(F)cc1 ZINC000028048201 556313446 /nfs/dbraw/zinc/31/34/46/556313446.db2.gz YCZSYKWFDNZQJA-UHFFFAOYSA-N 0 0 459.542 6.420 40 0 JKABRN O=C1CCN=C(c2ccccc2)c2cc(Cl)ccc2N1Cc1cccc(Br)c1 ZINC000028048359 556313830 /nfs/dbraw/zinc/31/38/30/556313830.db2.gz ICZHVEJZFAMEDG-UHFFFAOYSA-N 0 0 453.767 5.877 40 0 JKABRN CCO[P@](=O)(/C(NC(=O)c1ccccc1)=C(/Cl)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000028120135 556315987 /nfs/dbraw/zinc/31/59/87/556315987.db2.gz NOZZBXWXLAHCBJ-HYWKDPKLSA-N 0 0 492.364 6.868 40 0 JKABRN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc2N1C(=O)c1ccccc1 ZINC000028206950 556317693 /nfs/dbraw/zinc/31/76/93/556317693.db2.gz UOCBORADWFVXSY-CQSZACIVSA-N 0 0 461.370 5.386 40 0 JKABRN C[C@@H]1Cc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000028207164 556317902 /nfs/dbraw/zinc/31/79/02/556317902.db2.gz OIRHGGUNKHNGBI-OAQYLSRUSA-N 0 0 482.605 5.346 40 0 JKABRN O=C(Nc1cccc2ccccc21)N[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc2ccccc21 ZINC000018283565 556318697 /nfs/dbraw/zinc/31/86/97/556318697.db2.gz BZRKNFXSKFQTGQ-WMPKNSHKSA-N 0 0 452.558 6.247 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1Sc1ccccc1 ZINC000028208591 556318878 /nfs/dbraw/zinc/31/88/78/556318878.db2.gz FPSUGBAATURHDL-UHFFFAOYSA-N 0 0 480.655 5.584 40 0 JKABRN CC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000028208712 556318882 /nfs/dbraw/zinc/31/88/82/556318882.db2.gz GUJONWVJDXGCFL-UHFFFAOYSA-N 0 0 462.615 5.523 40 0 JKABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028208460 556318884 /nfs/dbraw/zinc/31/88/84/556318884.db2.gz HABTWMFFMDVAME-UHFFFAOYSA-N 0 0 452.576 5.081 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000028208735 556319121 /nfs/dbraw/zinc/31/91/21/556319121.db2.gz VUZKZDZDFUFDFX-UHFFFAOYSA-N 0 0 469.006 5.361 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000028208737 556319166 /nfs/dbraw/zinc/31/91/66/556319166.db2.gz IJFRJBOFPTXOHN-UHFFFAOYSA-N 0 0 469.006 5.361 40 0 JKABRN CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000028208838 556319387 /nfs/dbraw/zinc/31/93/87/556319387.db2.gz MOURHAONYYVYFO-UHFFFAOYSA-N 0 0 476.642 5.742 40 0 JKABRN CN(c1ccc2sc(C(=O)NCCC3=CCCCC3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209038 556319704 /nfs/dbraw/zinc/31/97/04/556319704.db2.gz SJMKIPIXOHYPSF-UHFFFAOYSA-N 0 0 472.607 5.486 40 0 JKABRN C[C@@H](CCc1ccccc1)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209197 556320053 /nfs/dbraw/zinc/32/00/53/556320053.db2.gz PHUQXLYWTIRHHH-SFHVURJKSA-N 0 0 496.629 5.617 40 0 JKABRN CCCN(c1ccc2sc(C(=O)NCCC3=CCCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209235 556320169 /nfs/dbraw/zinc/32/01/69/556320169.db2.gz DKYZZRSEQVNFKD-UHFFFAOYSA-N 0 0 496.698 6.435 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3c(C)cccc3C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209272 556320460 /nfs/dbraw/zinc/32/04/60/556320460.db2.gz YPFMEBXCGVZPDL-UHFFFAOYSA-N 0 0 492.666 6.684 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccccc3CC)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209280 556320466 /nfs/dbraw/zinc/32/04/66/556320466.db2.gz UFLDLCFTGOPORF-UHFFFAOYSA-N 0 0 492.666 6.630 40 0 JKABRN COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)COc1ccccc1C(C)C ZINC000028284482 556327346 /nfs/dbraw/zinc/32/73/46/556327346.db2.gz DGMYUNCWQCSKBV-UHFFFAOYSA-N 0 0 463.599 6.221 40 0 JKABRN O=C(Nc1cccc2ccccc21)OCC[C@@H]1CCCCN1C(=O)Nc1cccc2ccccc21 ZINC000019075449 556327809 /nfs/dbraw/zinc/32/78/09/556327809.db2.gz IJXIRTSLAWNGRG-QHCPKHFHSA-N 0 0 467.569 7.018 40 0 JKABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2cccc3c2CCCC3)C1)Nc1cccc2c1CCCC2 ZINC000019075358 556327827 /nfs/dbraw/zinc/32/78/27/556327827.db2.gz ZVNRWRJELICBNW-SZPZYZBQSA-N 0 0 488.676 6.194 40 0 JKABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCCc3ccccc32)C1)N[C@@H]1CCCc2ccccc21 ZINC000019075367 556327886 /nfs/dbraw/zinc/32/78/86/556327886.db2.gz UXJXXVYKGRSNLT-JGZRHYTASA-N 0 0 488.676 5.546 40 0 JKABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)N2CCCc3ccccc32)C1)N1CCCc2ccccc21 ZINC000019075347 556327957 /nfs/dbraw/zinc/32/79/57/556327957.db2.gz RLCDYELCLCCGPV-SZPZYZBQSA-N 0 0 460.622 5.118 40 0 JKABRN C[C@@H]1CC[C@@H]2[C@@H](C1)c1sc(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)c1SC2(C)C ZINC000028294960 556329789 /nfs/dbraw/zinc/32/97/89/556329789.db2.gz NDINEWGPLYDQTP-MRVWCRGKSA-N 0 0 471.475 6.259 40 0 JKABRN CCN(CC)C(=S)S[C@@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1 ZINC000019202403 556333990 /nfs/dbraw/zinc/33/39/90/556333990.db2.gz ZNYNAFPXZUUXLD-RBUKOAKNSA-N 0 0 450.423 5.494 40 0 JKABRN Cc1ccccc1-n1c(CSc2ccc(Cl)cc2Cl)nn(CN2CCCCC2)c1=O ZINC000028527406 556334465 /nfs/dbraw/zinc/33/44/65/556334465.db2.gz ZSTHCVBRHCVCEQ-UHFFFAOYSA-N 0 0 463.434 5.385 40 0 JKABRN COc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)c(OC)c1 ZINC000028535601 556335202 /nfs/dbraw/zinc/33/52/02/556335202.db2.gz NMJNCFHZCLMHQP-UHFFFAOYSA-N 0 0 484.339 5.488 40 0 JKABRN COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000028535278 556335247 /nfs/dbraw/zinc/33/52/47/556335247.db2.gz TYLMTEIBQFVLBT-UHFFFAOYSA-N 0 0 460.365 5.559 40 0 JKABRN CC[C@H](C)c1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000028539310 556335304 /nfs/dbraw/zinc/33/53/04/556335304.db2.gz NUTJDLCRHNFNGY-NRFANRHFSA-N 0 0 457.577 7.730 40 0 JKABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539382 556335625 /nfs/dbraw/zinc/33/56/25/556335625.db2.gz UJDWKFNKTNCCMJ-UHFFFAOYSA-N 0 0 486.575 6.053 40 0 JKABRN Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)ccc1Br ZINC000028606397 556335817 /nfs/dbraw/zinc/33/58/17/556335817.db2.gz CQIKBMUUPMSWBT-UHFFFAOYSA-N 0 0 480.391 5.131 40 0 JKABRN Cc1ccccc1NC(=O)COc1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC000028616780 556337208 /nfs/dbraw/zinc/33/72/08/556337208.db2.gz DVRBGIMQWWVEPK-UHFFFAOYSA-N 0 0 478.643 5.732 40 0 JKABRN Cc1cc(-c2ccc(NC(=O)[C@H]3C[C@@H]3CCC(C)C)c(C)c2)ccc1NC(=O)[C@@H]1C[C@@H]1CCC(C)C ZINC000028632157 556338137 /nfs/dbraw/zinc/33/81/37/556338137.db2.gz OURJVHFOIBGXMC-LAJGZZDBSA-N 0 0 488.716 7.992 40 0 JKABRN COc1cccc(C2N(Cc3ccc(OC)cc3OC)CCCN2Cc2ccc(OC)cc2OC)c1 ZINC000019326117 556341645 /nfs/dbraw/zinc/34/16/45/556341645.db2.gz IOYWDVSLTSAWMH-UHFFFAOYSA-N 0 0 492.616 5.136 40 0 JKABRN CCCOc1c(Br)cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OCC ZINC000019418438 556347844 /nfs/dbraw/zinc/34/78/44/556347844.db2.gz AIFMDNJWWUHZRI-ZHZULCJRSA-N 0 0 486.406 6.279 40 0 JKABRN CCC(C)(C)n1nnnc1CN(Cc1ccccc1Cl)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000019499748 556349659 /nfs/dbraw/zinc/34/96/59/556349659.db2.gz SZECEIZNICOGNP-UHFFFAOYSA-N 0 0 479.028 5.132 40 0 JKABRN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000029545218 556353071 /nfs/dbraw/zinc/35/30/71/556353071.db2.gz YCBSMEKEDOHEQI-OPMMUUJYSA-N 0 0 470.738 7.178 40 0 biogenic,in-vitro JKABRN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000029559366 556353466 /nfs/dbraw/zinc/35/34/66/556353466.db2.gz BTXWOKJOAGWCSN-KYXNMZNUSA-N 0 0 470.738 7.322 40 0 JKABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccc(Cl)c(Cl)c2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000019594043 556356028 /nfs/dbraw/zinc/35/60/28/556356028.db2.gz FTXNHAYDSQDWHM-UHFFFAOYSA-N 0 0 454.394 5.912 40 0 JKABRN O=C(c1ccc(Cl)cc1)N(CCN(C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000019691127 556360181 /nfs/dbraw/zinc/36/01/81/556360181.db2.gz XSCGRSRIZAPVKH-UHFFFAOYSA-N 0 0 489.402 6.987 40 0 JKABRN COC(=O)[C@H]1SC(c2ccccc2)=C(c2ccccc2)[C@H]2C1C(=O)C(=O)N2c1ccc(OC)cc1 ZINC000019691716 556360637 /nfs/dbraw/zinc/36/06/37/556360637.db2.gz ODGADODKEQKLQK-OZXSUGGESA-N 0 0 485.561 5.079 40 0 JKABRN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1[C@@H](C)COC ZINC000013135024 556365346 /nfs/dbraw/zinc/36/53/46/556365346.db2.gz PMVMRRUXMIMWPN-FGTMMUONSA-N 0 0 453.608 5.237 40 0 JKABRN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000013137911 556368979 /nfs/dbraw/zinc/36/89/79/556368979.db2.gz QKQPMFNHNDGCHO-AXHMDWHKSA-N 0 0 471.573 5.085 40 0 JKABRN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)C(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000013137914 556369068 /nfs/dbraw/zinc/36/90/68/556369068.db2.gz QKQPMFNHNDGCHO-ROYATCLZSA-N 0 0 471.573 5.085 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2cc(C)ccc2C)cc1 ZINC000030751606 556371208 /nfs/dbraw/zinc/37/12/08/556371208.db2.gz QITCXPCKMVOVKL-UHFFFAOYSA-N 0 0 471.022 5.119 40 0 JKABRN CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000030752024 556371463 /nfs/dbraw/zinc/37/14/63/556371463.db2.gz KACCKXQXXVHLRJ-UHFFFAOYSA-N 0 0 461.008 5.814 40 0 JKABRN CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc(C)cc1 ZINC000030752441 556371537 /nfs/dbraw/zinc/37/15/37/556371537.db2.gz NVIUFFAYBANPRQ-HSZRJFAPSA-N 0 0 456.995 5.639 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)cc1Cl ZINC000030752039 556371582 /nfs/dbraw/zinc/37/15/82/556371582.db2.gz KNQNWIDBYLXVJX-OAHLLOKOSA-N 0 0 479.385 5.509 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@H]3CCCc4ccccc43)c2)cc1 ZINC000030753278 556371805 /nfs/dbraw/zinc/37/18/05/556371805.db2.gz FPQVWQFKLCNBIY-QHCPKHFHSA-N 0 0 454.979 5.257 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@@H]3CCCc4ccccc43)c2)cc1 ZINC000030753274 556371851 /nfs/dbraw/zinc/37/18/51/556371851.db2.gz FPQVWQFKLCNBIY-HSZRJFAPSA-N 0 0 454.979 5.257 40 0 JKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000030754069 556372166 /nfs/dbraw/zinc/37/21/66/556372166.db2.gz HAYSUSLHMGEOIA-SANMLTNESA-N 0 0 452.554 5.608 40 0 JKABRN CC(C)C[C@@H](NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000030753522 556372248 /nfs/dbraw/zinc/37/22/48/556372248.db2.gz NCDZLJDKKONFJU-RUZDIDTESA-N 0 0 450.604 5.170 40 0 JKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000030754959 556372778 /nfs/dbraw/zinc/37/27/78/556372778.db2.gz PKKAUOZPYMCAAJ-LJQANCHMSA-N 0 0 452.576 5.073 40 0 JKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000030756715 556373265 /nfs/dbraw/zinc/37/32/65/556373265.db2.gz MPGSNTWEIOFERE-JOCHJYFZSA-N 0 0 489.062 6.267 40 0 JKABRN CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000030757117 556373462 /nfs/dbraw/zinc/37/34/62/556373462.db2.gz FRFRKUOKHFILPE-UHFFFAOYSA-N 0 0 456.995 5.826 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000030757699 556373922 /nfs/dbraw/zinc/37/39/22/556373922.db2.gz XHDUDMPTNFDGRH-DWXRJYCRSA-N 0 0 465.018 5.914 40 0 JKABRN Cc1cccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)CC2)c1C ZINC000030780694 556374572 /nfs/dbraw/zinc/37/45/72/556374572.db2.gz JMXQDAPJOSLVSJ-UHFFFAOYSA-N 0 0 455.533 5.727 40 0 JKABRN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OC ZINC000030848291 556376189 /nfs/dbraw/zinc/37/61/89/556376189.db2.gz SWFMLEJCIZAYKE-UHFFFAOYSA-N 0 0 488.993 5.038 40 0 JKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030848644 556376575 /nfs/dbraw/zinc/37/65/75/556376575.db2.gz QKKGFLKKFDOQFF-MHZLTWQESA-N 0 0 465.593 7.164 40 0 JKABRN COc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1OC ZINC000030848666 556376595 /nfs/dbraw/zinc/37/65/95/556376595.db2.gz XCQWRMRXUPINMV-VKGTZQKMSA-N 0 0 490.625 5.012 40 0 JKABRN Cc1cccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000030849915 556376845 /nfs/dbraw/zinc/37/68/45/556376845.db2.gz RSZLMUQCBYMJHW-VWLOTQADSA-N 0 0 485.049 5.747 40 0 JKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)COc3ccc(Br)cc3)c2)cc1 ZINC000030850742 556377258 /nfs/dbraw/zinc/37/72/58/556377258.db2.gz XNLVYKDRJDVEIP-UHFFFAOYSA-N 0 0 466.375 5.995 40 0 JKABRN CC(C)C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000030850504 556377363 /nfs/dbraw/zinc/37/73/63/556377363.db2.gz RGGWNSJFPZTBMW-LEAFIULHSA-N 0 0 458.627 5.978 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c(Cl)c1 ZINC000030852065 556377888 /nfs/dbraw/zinc/37/78/88/556377888.db2.gz QXFAQFIVBHRIJJ-QHCPKHFHSA-N 0 0 484.961 5.136 40 0 JKABRN CC[C@@H](NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(C)cc1 ZINC000030852589 556378230 /nfs/dbraw/zinc/37/82/30/556378230.db2.gz BBUSHQIOJNIQPR-LJQANCHMSA-N 0 0 457.423 5.116 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c2ccccc2)cc1 ZINC000030852538 556378256 /nfs/dbraw/zinc/37/82/56/556378256.db2.gz HRVYUWVRHVPKQH-HHHXNRCGSA-N 0 0 470.594 5.340 40 0 JKABRN CCSc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000030852702 556378285 /nfs/dbraw/zinc/37/82/85/556378285.db2.gz VPJKNYVDKUEXKY-NRFANRHFSA-N 0 0 489.018 5.047 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000030853257 556378681 /nfs/dbraw/zinc/37/86/81/556378681.db2.gz SLHGZUVHGWIZJL-OAQYLSRUSA-N 0 0 491.440 5.841 40 0 JKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c1C ZINC000030853951 556378972 /nfs/dbraw/zinc/37/89/72/556378972.db2.gz OXEDUSSMBGASOA-MRXNPFEDSA-N 0 0 493.412 5.817 40 0 JKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c1C ZINC000030853953 556379101 /nfs/dbraw/zinc/37/91/01/556379101.db2.gz OXEDUSSMBGASOA-INIZCTEOSA-N 0 0 493.412 5.817 40 0 JKABRN CCc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000030853602 556379108 /nfs/dbraw/zinc/37/91/08/556379108.db2.gz BSJRZJXHSWWNJF-PMERELPUSA-N 0 0 498.648 5.659 40 0 JKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000030854796 556379364 /nfs/dbraw/zinc/37/93/64/556379364.db2.gz YJWHSYJDPHLIRX-QFIPXVFZSA-N 0 0 456.539 5.039 40 0 JKABRN O=C(Nc1ccccc1Br)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000030855551 556379792 /nfs/dbraw/zinc/37/97/92/556379792.db2.gz PGSZZIQARUXSAD-UHFFFAOYSA-N 0 0 465.756 5.156 40 0 JKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030855762 556379799 /nfs/dbraw/zinc/37/97/99/556379799.db2.gz MDVXQYOSIDNVEF-UHFFFAOYSA-N 0 0 498.004 5.019 40 0 JKABRN O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000030855789 556379817 /nfs/dbraw/zinc/37/98/17/556379817.db2.gz QGMVQVPRMKYQBF-UHFFFAOYSA-N 0 0 491.012 5.983 40 0 JKABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(OC)cc1 ZINC000030856884 556380082 /nfs/dbraw/zinc/38/00/82/556380082.db2.gz NQNHSZCYFNQUOG-QFIPXVFZSA-N 0 0 472.994 5.339 40 0 JKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000030856461 556380121 /nfs/dbraw/zinc/38/01/21/556380121.db2.gz VHTSHCQQTRIWPS-AWEZNQCLSA-N 0 0 465.358 5.200 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(OC)cc1 ZINC000030856876 556380130 /nfs/dbraw/zinc/38/01/30/556380130.db2.gz NQNHSZCYFNQUOG-JOCHJYFZSA-N 0 0 472.994 5.339 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000030857696 556380533 /nfs/dbraw/zinc/38/05/33/556380533.db2.gz XLMHFDSZSRLOIN-XMMPIXPASA-N 0 0 450.604 5.075 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 ZINC000030857431 556380574 /nfs/dbraw/zinc/38/05/74/556380574.db2.gz ABCZBAXWGRTJPD-OAQYLSRUSA-N 0 0 458.967 5.031 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000030860080 556381500 /nfs/dbraw/zinc/38/15/00/556381500.db2.gz LHBUXELDYYJUGD-UHFFFAOYSA-N 0 0 455.750 5.700 40 0 JKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000030862043 556382137 /nfs/dbraw/zinc/38/21/37/556382137.db2.gz KIIOFLYVLSYNEE-CQSZACIVSA-N 0 0 498.910 5.566 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccccc1 ZINC000030862614 556382201 /nfs/dbraw/zinc/38/22/01/556382201.db2.gz STNAIHFICUCPLM-SANMLTNESA-N 0 0 497.060 5.733 40 0 JKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030862163 556382239 /nfs/dbraw/zinc/38/22/39/556382239.db2.gz VBOJRGOQHRSVIR-UHFFFAOYSA-N 0 0 462.637 6.969 40 0 JKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000030862524 556382268 /nfs/dbraw/zinc/38/22/68/556382268.db2.gz SLQYCJUYESXELE-DEOSSOPVSA-N 0 0 490.600 5.089 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000030862760 556382456 /nfs/dbraw/zinc/38/24/56/556382456.db2.gz FTBUSTZTIDHVJC-QGZVFWFLSA-N 0 0 483.461 5.029 40 0 JKABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000030863441 556382520 /nfs/dbraw/zinc/38/25/20/556382520.db2.gz KWFNPTZFWGZWDJ-SFHVURJKSA-N 0 0 476.554 5.055 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c(Cl)c1 ZINC000030864268 556382808 /nfs/dbraw/zinc/38/28/08/556382808.db2.gz AOIPSMQRMOQRAI-UHFFFAOYSA-N 0 0 486.977 5.187 40 0 JKABRN CC[C@H](NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000030866682 556383458 /nfs/dbraw/zinc/38/34/58/556383458.db2.gz HPQWZGYNFYOQSF-VWLOTQADSA-N 0 0 450.604 5.151 40 0 JKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000030868584 556384091 /nfs/dbraw/zinc/38/40/91/556384091.db2.gz AWECYOJFODBCJT-MRXNPFEDSA-N 0 0 458.967 5.109 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2Cl)cc1 ZINC000030869341 556384434 /nfs/dbraw/zinc/38/44/34/556384434.db2.gz IHWVALBGKRNHTH-UHFFFAOYSA-N 0 0 456.995 6.133 40 0 JKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000030869979 556384835 /nfs/dbraw/zinc/38/48/35/556384835.db2.gz KBLBUNHJTNBRPJ-QHCPKHFHSA-N 0 0 452.576 5.209 40 0 JKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030870606 556385118 /nfs/dbraw/zinc/38/51/18/556385118.db2.gz SFWADAQINVVVBW-QHCPKHFHSA-N 0 0 464.993 6.686 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019818224 556385165 /nfs/dbraw/zinc/38/51/65/556385165.db2.gz RMBDATDCKXFIQH-LEWJYISDSA-N 0 0 474.388 5.505 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019818226 556385277 /nfs/dbraw/zinc/38/52/77/556385277.db2.gz RMBDATDCKXFIQH-SFTDATJTSA-N 0 0 474.388 5.505 40 0 JKABRN CCc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000030872185 556385413 /nfs/dbraw/zinc/38/54/13/556385413.db2.gz RKOYXOYOAQSUKE-MHZLTWQESA-N 0 0 494.657 5.357 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000030871789 556385486 /nfs/dbraw/zinc/38/54/86/556385486.db2.gz HSKHMZFWGBFYMN-JOCHJYFZSA-N 0 0 479.042 5.040 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1)c1ccc(C)cc1 ZINC000030871419 556385500 /nfs/dbraw/zinc/38/55/00/556385500.db2.gz ULKJKKHVVJYAKM-XMMPIXPASA-N 0 0 468.644 5.423 40 0 JKABRN CCCN1CN(c2ccc(C)cc2)C2=N[C@@H](c3ccccc3)N=C(Nc3ccc(C)cc3)N2C1 ZINC000030874467 556386111 /nfs/dbraw/zinc/38/61/11/556386111.db2.gz DHSCFCZMVAUTFD-SANMLTNESA-N 0 0 452.606 5.589 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000019818599 556386297 /nfs/dbraw/zinc/38/62/97/556386297.db2.gz HEODSCSEWYZDNS-XZOQPEGZSA-N 0 0 459.933 5.005 40 0 JKABRN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030941372 556388732 /nfs/dbraw/zinc/38/87/32/556388732.db2.gz IEUAWBNESPYTRB-GOSISDBHSA-N 0 0 455.385 6.636 40 0 JKABRN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030944185 556389086 /nfs/dbraw/zinc/38/90/86/556389086.db2.gz CBSQYLDQBRHOTN-NRFANRHFSA-N 0 0 453.413 6.111 40 0 JKABRN CCCOc1ccc([C@H]2[C@H](C(=O)OCC)C(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019820244 556389172 /nfs/dbraw/zinc/38/91/72/556389172.db2.gz VLCIPUDJIONMFA-UIOOFZCWSA-N 0 0 483.568 5.141 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030943181 556389174 /nfs/dbraw/zinc/38/91/74/556389174.db2.gz RTFBRAMBFKBAIJ-FQEVSTJZSA-N 0 0 467.396 6.075 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1Cl ZINC000019820439 556389650 /nfs/dbraw/zinc/38/96/50/556389650.db2.gz IXUYGFROCYPLDY-DHIUTWEWSA-N 0 0 494.378 5.659 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000019820463 556389660 /nfs/dbraw/zinc/38/96/60/556389660.db2.gz HLTKOPOHYIPMBU-DNQXCXABSA-N 0 0 473.960 5.048 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000019820408 556389735 /nfs/dbraw/zinc/38/97/35/556389735.db2.gz DZFYRTRXPZCHED-BJKOFHAPSA-N 0 0 473.960 5.314 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000019820465 556389938 /nfs/dbraw/zinc/38/99/38/556389938.db2.gz HLTKOPOHYIPMBU-BJKOFHAPSA-N 0 0 473.960 5.048 40 0 JKABRN CCCOc1ccc([C@@H]2[C@H](C(=O)OCC)C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019820652 556390475 /nfs/dbraw/zinc/39/04/75/556390475.db2.gz BYKAKBIGWDLDLN-RRPNLBNLSA-N 0 0 497.595 5.183 40 0 JKABRN Cc1nn2c(nnc3c(=O)n(-c4ccccc4C(F)(F)F)ccc32)c1-c1ccc(Cl)cc1 ZINC000019821540 556392117 /nfs/dbraw/zinc/39/21/17/556392117.db2.gz WHGMUISIIUQXLA-UHFFFAOYSA-N 0 0 455.827 5.076 40 0 JKABRN C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000031302404 556395578 /nfs/dbraw/zinc/39/55/78/556395578.db2.gz AAJIHHYEPHRIET-XEFAKFPISA-N 0 0 456.711 6.629 40 0 biogenic,in-vitro JKABRN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000031334726 556396181 /nfs/dbraw/zinc/39/61/81/556396181.db2.gz PBWOIPCULUXTNY-UMKHIFOFSA-N 0 0 456.755 8.596 40 0 in-man JKABRN CC(C)CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC(C)C ZINC000031391628 556396372 /nfs/dbraw/zinc/39/63/72/556396372.db2.gz WLLCYXDFVBWGBU-UHFFFAOYSA-N 0 0 468.763 8.797 40 0 JKABRN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NC1CCCCC1 ZINC000019828994 556397332 /nfs/dbraw/zinc/39/73/32/556397332.db2.gz MAJMQZGGLJCOSU-UHFFFAOYSA-N 0 0 474.932 5.003 40 0 JKABRN CC(C)(C)c1ccc(SCN(CSc2ccc(C(C)(C)C)cc2)Cc2ccccc2)cc1 ZINC000031670215 556401849 /nfs/dbraw/zinc/40/18/49/556401849.db2.gz JALAQSHHBKHUPY-UHFFFAOYSA-N 0 0 463.756 8.583 40 0 JKABRN CCOC(=O)N1[C@H](c2ccccc2)N(Cc2ccccc2)[C@H](C(=O)c2ccccc2)N1C(=O)OCC ZINC000031670031 556401867 /nfs/dbraw/zinc/40/18/67/556401867.db2.gz NONHTQOVGNIYIO-FTJBHMTQSA-N 0 0 487.556 5.242 40 0 JKABRN CCCC[C@H](CC)COC(=O)CCCCCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000031771213 556402968 /nfs/dbraw/zinc/40/29/68/556402968.db2.gz MTPSFISGWJGUGN-UIOOFZCWSA-N 0 0 454.736 8.407 40 0 JKABRN C[C@@H]1[C@@H](N2CCOCC2)Oc2cc3c(cc2[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCO3 ZINC000031860883 556409073 /nfs/dbraw/zinc/40/90/73/556409073.db2.gz SICREJOSBMSSEJ-CCXQXCJASA-N 0 0 481.633 5.535 40 0 JKABRN CCc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc([C@H](C)CC)cc3)CC2=O)cc1 ZINC000031903474 556409626 /nfs/dbraw/zinc/40/96/26/556409626.db2.gz PGAGDPGUBOSZLH-PXDATVDWSA-N 0 0 451.614 6.681 40 0 JKABRN C/C1=C/C[C@@H](/C(C)=C\c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000031901350 556409643 /nfs/dbraw/zinc/40/96/43/556409643.db2.gz XOZIUKBZLSUILX-UNJPLNINSA-N 0 0 491.694 5.266 40 0 JKABRN CCc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 ZINC000031903494 556409869 /nfs/dbraw/zinc/40/98/69/556409869.db2.gz NBJJXISNYYZPMK-QFIPXVFZSA-N 0 0 469.585 5.597 40 0 JKABRN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCOc2cc(C)cc(C)c2)CC1=O ZINC000031903493 556409920 /nfs/dbraw/zinc/40/99/20/556409920.db2.gz XYFQCQRYUIQQBM-JOCHJYFZSA-N 0 0 469.585 5.651 40 0 JKABRN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3cc(C)ccc3C)CC2=O)cc1 ZINC000031903652 556410774 /nfs/dbraw/zinc/41/07/74/556410774.db2.gz YVGRRJXXOPJXBD-QFIPXVFZSA-N 0 0 469.585 5.651 40 0 JKABRN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3cc(C)ccc3C)CC2=O)cc1 ZINC000031903653 556410803 /nfs/dbraw/zinc/41/08/03/556410803.db2.gz YVGRRJXXOPJXBD-JOCHJYFZSA-N 0 0 469.585 5.651 40 0 JKABRN O=S1(=O)[C@@H](c2ccccc2)[C@H](N2CCCCC2)[C@@H]1[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000031947132 556411998 /nfs/dbraw/zinc/41/19/98/556411998.db2.gz RRIBTWMCISRUHX-IMAJXIBASA-N 0 0 469.650 5.677 40 0 in-vitro JKABRN CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC(C3CCCCC3)=C[C@@]2(O)C(F)(F)F)cc1 ZINC000032100810 556416470 /nfs/dbraw/zinc/41/64/70/556416470.db2.gz DIVFFINKSWOGPY-AREMUKBSSA-N 0 0 488.550 5.811 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC(C2CCCCC2)=C[C@]1(O)C(F)(F)F ZINC000032100824 556416482 /nfs/dbraw/zinc/41/64/82/556416482.db2.gz RPEZYVZMVAXAHP-ZMZPIMSZSA-N 0 0 453.288 5.180 40 0 JKABRN Cc1ccc(CN(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000032107069 556418463 /nfs/dbraw/zinc/41/84/63/556418463.db2.gz WNXWHAKGOUXLFB-UHFFFAOYSA-N 0 0 496.938 5.497 40 0 JKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)c3)nc2c1 ZINC000032109327 556418711 /nfs/dbraw/zinc/41/87/11/556418711.db2.gz YMGKJWCCEYTKDZ-UHFFFAOYSA-N 0 0 497.765 8.276 40 0 JKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 ZINC000032109328 556418756 /nfs/dbraw/zinc/41/87/56/556418756.db2.gz YRSQVWLYKISJEU-UHFFFAOYSA-N 0 0 463.320 7.622 40 0 JKABRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)o2)cc1 ZINC000032109622 556419476 /nfs/dbraw/zinc/41/94/76/556419476.db2.gz HPZSZPBDXZCFFV-LPYMAVHISA-N 0 0 460.511 5.133 40 0 JKABRN O=C(CCCSc1nnc(SCCC(=O)c2ccc(F)cc2)s1)c1ccc(F)cc1 ZINC000032109925 556420270 /nfs/dbraw/zinc/42/02/70/556420270.db2.gz MMIMKBVAQFFVKE-UHFFFAOYSA-N 0 0 464.584 5.937 40 0 JKABRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000032111963 556420824 /nfs/dbraw/zinc/42/08/24/556420824.db2.gz CGXYPMZAYJZACZ-UHFFFAOYSA-N 0 0 476.385 5.975 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000032114488 556421074 /nfs/dbraw/zinc/42/10/74/556421074.db2.gz YGAVLRAGHFWITO-UHFFFAOYSA-N 0 0 454.957 7.851 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc(C)c1Cl ZINC000032114663 556421250 /nfs/dbraw/zinc/42/12/50/556421250.db2.gz ZTOMPVVZCYTFGD-UHFFFAOYSA-N 0 0 462.933 6.281 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032114588 556421283 /nfs/dbraw/zinc/42/12/83/556421283.db2.gz HXRYPWMAAUIUFP-UHFFFAOYSA-N 0 0 477.347 7.281 40 0 JKABRN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000032114594 556421294 /nfs/dbraw/zinc/42/12/94/556421294.db2.gz WAHINPFHTPJVGI-UHFFFAOYSA-N 0 0 456.929 6.881 40 0 JKABRN Cc1cc(NC(=S)NC(=O)C(Cl)(Cl)Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114671 556421349 /nfs/dbraw/zinc/42/13/49/556421349.db2.gz MNTLGYZELFRLLG-UHFFFAOYSA-N 0 0 470.765 5.177 40 0 JKABRN Cc1cc(NC(=O)c2ccc(I)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114551 556421385 /nfs/dbraw/zinc/42/13/85/556421385.db2.gz CEFDRMOXORLECY-UHFFFAOYSA-N 0 0 496.304 5.850 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114820 556421554 /nfs/dbraw/zinc/42/15/54/556421554.db2.gz REFSVROXTREEJF-UHFFFAOYSA-N 0 0 498.391 6.427 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114790 556421558 /nfs/dbraw/zinc/42/15/58/556421558.db2.gz RABMYTGEZODQNP-UHFFFAOYSA-N 0 0 487.581 5.908 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000032114757 556421580 /nfs/dbraw/zinc/42/15/80/556421580.db2.gz IIEUUEUHRKBBQA-UHFFFAOYSA-N 0 0 459.527 5.129 40 0 JKABRN 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DSHQYYKPVLVGCN-UHFFFAOYSA-N 0 0 456.929 7.586 40 0 JKABRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000035175845 569677340 /nfs/dbraw/zinc/67/73/40/569677340.db2.gz XTSPSSKGBBGUIA-UHFFFAOYSA-N 0 0 492.567 6.058 40 0 JKABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2Br)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000035181711 569677590 /nfs/dbraw/zinc/67/75/90/569677590.db2.gz MDPZAQSEKRKEED-UHFFFAOYSA-N 0 0 464.400 5.367 40 0 JKABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)o1 ZINC000035176533 569677380 /nfs/dbraw/zinc/67/73/80/569677380.db2.gz GFVPPPAJYUCGFI-LICLKQGHSA-N 0 0 491.999 6.169 40 0 JKABRN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccccc2C)C[C@H](C(C)(C)C)CC3)cc1 ZINC000035240010 569678573 /nfs/dbraw/zinc/67/85/73/569678573.db2.gz GQNGIFCOFYQZNX-LJQANCHMSA-N 0 0 460.643 7.021 40 0 JKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000035241068 569678704 /nfs/dbraw/zinc/67/87/04/569678704.db2.gz ZFQAOMAQGURLNJ-RKVCDUFXSA-N 0 0 480.004 6.716 40 0 JKABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000035251447 569678798 /nfs/dbraw/zinc/67/87/98/569678798.db2.gz LHLUZNXZOSREHJ-LPXFMOJISA-N 0 0 476.938 5.671 40 0 JKABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000035251453 569678832 /nfs/dbraw/zinc/67/88/32/569678832.db2.gz LHLUZNXZOSREHJ-JFENUBAZSA-N 0 0 476.938 5.671 40 0 JKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)c1 ZINC000035252541 569678884 /nfs/dbraw/zinc/67/88/84/569678884.db2.gz ACYITYKUWNIAPI-UHFFFAOYSA-N 0 0 479.433 5.864 40 0 JKABRN C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)C(C)(C)C)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000035263267 569678924 /nfs/dbraw/zinc/67/89/24/569678924.db2.gz WXORPCWWSIKEDX-BGASUOSISA-N 0 0 455.429 7.409 40 0 JKABRN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000035269524 569679182 /nfs/dbraw/zinc/67/91/82/569679182.db2.gz MFALAPRWUSPYGS-UHFFFAOYSA-N 0 0 451.309 6.758 40 0 JKABRN O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035271595 569679264 /nfs/dbraw/zinc/67/92/64/569679264.db2.gz RHTSJMUAKMRSLL-UHFFFAOYSA-N 0 0 490.437 5.851 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1Br ZINC000035271599 569679319 /nfs/dbraw/zinc/67/93/19/569679319.db2.gz QBJWNIPWBBPCQA-UHFFFAOYSA-N 0 0 499.748 5.554 40 0 JKABRN Cc1ccc2cc3cc(C(=O)O[C@H](C(=O)NC[C@@H]4CCCO4)c4ccccc4F)sc3nc2c1 ZINC000035288794 569679530 /nfs/dbraw/zinc/67/95/30/569679530.db2.gz JWEZNLNULJBFSA-MBSDFSHPSA-N 0 0 478.545 5.090 40 0 JKABRN Cc1ccc2cc3cc(C(=O)O[C@H](C(=O)NC[C@H]4CCCO4)c4ccccc4F)sc3nc2c1 ZINC000035288796 569679548 /nfs/dbraw/zinc/67/95/48/569679548.db2.gz JWEZNLNULJBFSA-JPYJTQIMSA-N 0 0 478.545 5.090 40 0 JKABRN COc1ccc(OC)c(C(=O)CSc2nnc3c4c(-c5ccc(F)cc5)csc4ncn23)c1 ZINC000035314515 569680369 /nfs/dbraw/zinc/68/03/69/569680369.db2.gz HUXFEFROLQKDAS-UHFFFAOYSA-N 0 0 480.546 5.137 40 0 JKABRN Cc1ccc(-n2c(COc3c(C)cccc3C)nnc2SCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000035329829 569680918 /nfs/dbraw/zinc/68/09/18/569680918.db2.gz VZQQXRDLZDNKLX-UHFFFAOYSA-N 0 0 493.032 6.156 40 0 JKABRN COc1cc(OC)cc(-c2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)n[nH]2)c1 ZINC000035352234 569681836 /nfs/dbraw/zinc/68/18/36/569681836.db2.gz VUFKGNUKDQDIQN-UHFFFAOYSA-N 0 0 476.583 5.411 40 0 JKABRN S=C(c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)N1CCN(Cc2ccccc2)CC1 ZINC000035375827 569684715 /nfs/dbraw/zinc/68/47/15/569684715.db2.gz MEKMISDEOZFDJS-UHFFFAOYSA-N 0 0 471.453 6.066 40 0 JKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000035386157 569686931 /nfs/dbraw/zinc/68/69/31/569686931.db2.gz AXFPJCOKQCXAGF-UHFFFAOYSA-N 0 0 474.413 6.371 40 0 JKABRN C=CCOc1c(Br)cc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OCC ZINC000035395020 569687260 /nfs/dbraw/zinc/68/72/60/569687260.db2.gz PWOIGUWKFVKEFN-GOSISDBHSA-N 0 0 479.396 5.180 40 0 JKABRN C[C@@H]1CC[C@H]2[C@H](CC[C@H](C)N2C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 ZINC000035396499 569687365 /nfs/dbraw/zinc/68/73/65/569687365.db2.gz MXFPPEOATZCSBR-AWQBJMPUSA-N 0 0 456.512 5.844 40 0 JKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](OC(C)=O)CC(=O)O3)[C@@H]21 ZINC000067665373 569688962 /nfs/dbraw/zinc/68/89/62/569688962.db2.gz OHVWRJDVJRNCPE-DLNFZKNXSA-N 0 0 460.611 5.156 40 0 in-vitro JKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](OC(C)=O)CC(=O)O3)[C@H]21 ZINC000067665374 569689010 /nfs/dbraw/zinc/68/90/10/569689010.db2.gz OHVWRJDVJRNCPE-ZKGOMGCWSA-N 0 0 460.611 5.156 40 0 in-vitro JKABRN c1ccc(C(c2ccccc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000068581739 569691408 /nfs/dbraw/zinc/69/14/08/569691408.db2.gz GPCDDINPJQHICL-UHFFFAOYSA-N 0 0 486.658 9.250 40 0 JKABRN CCOc1cc(CNc2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1C ZINC000035404605 569691488 /nfs/dbraw/zinc/69/14/88/569691488.db2.gz BGVKOSGRPALJTE-UHFFFAOYSA-N 0 0 469.379 5.786 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2C)c(C)c1 ZINC000035419772 569692222 /nfs/dbraw/zinc/69/22/22/569692222.db2.gz GAEJKSATELKVSO-UHFFFAOYSA-N 0 0 473.392 5.427 40 0 JKABRN O=C(Sc1n[nH]c(SCc2cccc3ccccc32)n1)c1ccc(Br)cc1 ZINC000070503677 569695318 /nfs/dbraw/zinc/69/53/18/569695318.db2.gz XKEPUYNBDQENMA-UHFFFAOYSA-N 0 0 456.390 5.945 40 0 JKABRN CC(=O)N1C[C@H](C)CC[C@]12O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000070691635 569695677 /nfs/dbraw/zinc/69/56/77/569695677.db2.gz JXAZKNVJWYDQJY-IKEOEMBBSA-N 0 0 455.683 5.546 40 0 biogenic JKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000070691584 569695733 /nfs/dbraw/zinc/69/57/33/569695733.db2.gz LVRAKYNQYKVPIK-FKHFBQRNSA-N 0 0 458.683 6.365 40 0 biogenic JKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]5[C@H](C[C@H]4[C@@H]3CC[C@H]2C1)O[C@]1(CC[C@@H](C)CO1)[C@H]5C ZINC000070691578 569695744 /nfs/dbraw/zinc/69/57/44/569695744.db2.gz LVRAKYNQYKVPIK-AKYKRUBPSA-N 0 0 458.683 6.365 40 0 biogenic JKABRN CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]32C)O1 ZINC000070691815 569695780 /nfs/dbraw/zinc/69/57/80/569695780.db2.gz VGALEQRDKRZJFD-KECRYYSQSA-N 0 0 476.742 5.712 40 0 biogenic JKABRN CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]32C)O1 ZINC000070691818 569695790 /nfs/dbraw/zinc/69/57/90/569695790.db2.gz VGALEQRDKRZJFD-YJIRKYAXSA-N 0 0 476.742 5.712 40 0 biogenic JKABRN O=C1NC(=O)C(c2c[nH]c3cc(Cc4ccccc4)ccc23)=C1c1c[nH]c2cc(Cl)ccc12 ZINC000071257737 569696022 /nfs/dbraw/zinc/69/60/22/569696022.db2.gz REWZASWLAKKVLR-UHFFFAOYSA-N 0 0 451.913 5.461 40 0 JKABRN COC(=O)c1ccccc1CC[C@H](O)c1cccc(/C=C\c2ccc3ccc(Cl)cc3n2)c1 ZINC000071609129 569697200 /nfs/dbraw/zinc/69/72/00/569697200.db2.gz KPCSDMZEMDMWKQ-FEMMLKEQSA-N 0 0 457.957 6.511 40 0 JKABRN COC(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000035520085 569698708 /nfs/dbraw/zinc/69/87/08/569698708.db2.gz OTDSGQUOLBOYAA-UHFFFAOYSA-N 0 0 455.941 6.100 40 0 JKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214769 569700046 /nfs/dbraw/zinc/70/00/46/569700046.db2.gz KHDSBQMMXZJRSA-JOCHJYFZSA-N 0 0 453.583 6.097 40 0 JKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c(Br)c1 ZINC000072193772 569700059 /nfs/dbraw/zinc/70/00/59/569700059.db2.gz HFQDWMXVKWGRNL-UHFFFAOYSA-N 0 0 465.819 5.973 40 0 JKABRN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072214656 569700094 /nfs/dbraw/zinc/70/00/94/569700094.db2.gz CVAIRYVVRKEYSE-NRFANRHFSA-N 0 0 459.612 5.067 40 0 JKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214768 569700106 /nfs/dbraw/zinc/70/01/06/569700106.db2.gz KHDSBQMMXZJRSA-QFIPXVFZSA-N 0 0 453.583 6.097 40 0 JKABRN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214554 569700116 /nfs/dbraw/zinc/70/01/16/569700116.db2.gz BXPDUEBYZXRWHG-JOCHJYFZSA-N 0 0 453.583 5.953 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072215220 569700210 /nfs/dbraw/zinc/70/02/10/569700210.db2.gz STBLLXQWUSPYDG-UGKGYDQZSA-N 0 0 453.583 6.095 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215172 569700220 /nfs/dbraw/zinc/70/02/20/569700220.db2.gz XYCWSVKVYNVXHB-NZQKXSOJSA-N 0 0 467.610 6.485 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072215188 569700228 /nfs/dbraw/zinc/70/02/28/569700228.db2.gz QIVKARIPPPQGCR-NZQKXSOJSA-N 0 0 487.666 5.846 40 0 JKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214889 569700232 /nfs/dbraw/zinc/70/02/32/569700232.db2.gz VVUKUCPYZDYJBT-JOCHJYFZSA-N 0 0 453.583 6.095 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CCC3)nc2)cc1 ZINC000072215481 569700263 /nfs/dbraw/zinc/70/02/63/569700263.db2.gz DLBNGEHZRKCDIS-QHCPKHFHSA-N 0 0 485.650 5.600 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1)C1CCC1 ZINC000072215472 569700309 /nfs/dbraw/zinc/70/03/09/569700309.db2.gz CWQZBBCWSTZGPN-QHCPKHFHSA-N 0 0 465.594 6.239 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1)C1CCC1 ZINC000072215473 569700310 /nfs/dbraw/zinc/70/03/10/569700310.db2.gz CWQZBBCWSTZGPN-HSZRJFAPSA-N 0 0 465.594 6.239 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CCCC3)nc2)cc1 ZINC000072215601 569700330 /nfs/dbraw/zinc/70/03/30/569700330.db2.gz CJORKZPHFPCEDU-DEOSSOPVSA-N 0 0 499.677 5.990 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1)C1CCCC1 ZINC000072215618 569700369 /nfs/dbraw/zinc/70/03/69/569700369.db2.gz KLVRUYDLJVJWPW-HSZRJFAPSA-N 0 0 465.594 6.239 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1)C1CCCCC1 ZINC000072215678 569700375 /nfs/dbraw/zinc/70/03/75/569700375.db2.gz OSAFVIDPCUGXGJ-XMMPIXPASA-N 0 0 479.621 6.630 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072215890 569700386 /nfs/dbraw/zinc/70/03/86/569700386.db2.gz BSFHTRSGQYKZFL-OAQYLSRUSA-N 0 0 453.583 6.617 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1)C1CCCCC1 ZINC000072215772 569700419 /nfs/dbraw/zinc/70/04/19/569700419.db2.gz XRYHMBVZBNXXEY-VWLOTQADSA-N 0 0 493.648 7.020 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1)C1CCCC1 ZINC000072215653 569700422 /nfs/dbraw/zinc/70/04/22/569700422.db2.gz QNRPXHDWPXUCLF-XMMPIXPASA-N 0 0 479.621 6.630 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CCCCC1 ZINC000072215711 569700427 /nfs/dbraw/zinc/70/04/27/569700427.db2.gz CIANFFCDBVMRQV-NRFANRHFSA-N 0 0 459.631 6.618 40 0 JKABRN CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215662 569700429 /nfs/dbraw/zinc/70/04/29/569700429.db2.gz IYWOUECILVTIAK-UHFFFAOYSA-N 0 0 461.603 5.643 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 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VCPNMIVLKQLSKF-UHFFFAOYSA-N 0 0 485.407 5.496 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072215892 569700559 /nfs/dbraw/zinc/70/05/59/569700559.db2.gz ZKNJOWRITNTSLT-VWLOTQADSA-N 0 0 487.600 7.019 40 0 JKABRN Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1cc(Cl)ccc1Cl ZINC000072228893 569700640 /nfs/dbraw/zinc/70/06/40/569700640.db2.gz MOGFDDXNJRFMCH-UHFFFAOYSA-N 0 0 466.988 5.970 40 0 JKABRN COc1c(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc2ccccc2c1Br ZINC000072229893 569700657 /nfs/dbraw/zinc/70/06/57/569700657.db2.gz FUEKVNFTYCPBLT-HSZRJFAPSA-N 0 0 496.788 6.598 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cc(Br)ccc1Cl ZINC000072229875 569700658 /nfs/dbraw/zinc/70/06/58/569700658.db2.gz ZXYGIIZVJDWPLM-IBGZPJMESA-N 0 0 451.147 6.090 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000072229914 569700763 /nfs/dbraw/zinc/70/07/63/569700763.db2.gz XVXZLHYLFWOSRF-HSZRJFAPSA-N 0 0 482.761 6.697 40 0 JKABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072229978 569700706 /nfs/dbraw/zinc/70/07/06/569700706.db2.gz LOWPIQPXMVCADT-FQEVSTJZSA-N 0 0 460.755 5.754 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000072229919 569700713 /nfs/dbraw/zinc/70/07/13/569700713.db2.gz OEUKYBFJAFBZNR-QHCPKHFHSA-N 0 0 472.755 7.241 40 0 JKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c(Br)c1 ZINC000072230064 569700729 /nfs/dbraw/zinc/70/07/29/569700729.db2.gz RYLUCKLILHZVMJ-QFIPXVFZSA-N 0 0 474.782 5.819 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccccc2Br)o1 ZINC000072229931 569700755 /nfs/dbraw/zinc/70/07/55/569700755.db2.gz GEZJEHQSWUJJEO-QHCPKHFHSA-N 0 0 482.761 6.697 40 0 JKABRN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072230088 569700822 /nfs/dbraw/zinc/70/08/22/569700822.db2.gz FYAQCWMQIOONIA-NDEPHWFRSA-N 0 0 473.956 6.018 40 0 JKABRN Cc1cc(C)n(-c2nc3c(ccc(Cl)c3N3CCN(C(=O)c4ccc(Cl)cc4)CC3)s2)n1 ZINC000072230224 569700826 /nfs/dbraw/zinc/70/08/26/569700826.db2.gz UFWNZKCQVLQXBB-UHFFFAOYSA-N 0 0 486.428 5.368 40 0 JKABRN Cc1cc(C)n(-c2nc3c(ccc(Cl)c3N3CCN(C(=O)c4cccc(C)c4)CC3)s2)n1 ZINC000072230147 569700865 /nfs/dbraw/zinc/70/08/65/569700865.db2.gz BOJVVEYEMQSDSP-UHFFFAOYSA-N 0 0 466.010 5.023 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072230075 569700868 /nfs/dbraw/zinc/70/08/68/569700868.db2.gz MBRWOZAGTFMXFT-ZSEKCTLFSA-N 0 0 450.749 6.135 40 0 JKABRN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(OC(F)(F)F)cc3)cc12 ZINC000035533901 569701233 /nfs/dbraw/zinc/70/12/33/569701233.db2.gz XTLALMOJQGRFII-UHFFFAOYSA-N 0 0 490.913 6.175 40 0 JKABRN COc1ccc(-c2cc(C(=O)OCC(=O)N[C@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)cc1OC ZINC000035535515 569702090 /nfs/dbraw/zinc/70/20/90/569702090.db2.gz BRMXLFJDQCEFHB-SVMVAKDDSA-N 0 0 476.573 5.017 40 0 JKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000035544194 569702394 /nfs/dbraw/zinc/70/23/94/569702394.db2.gz LASUFLCSZNEZQW-NBHGPNQESA-N 0 0 478.511 6.005 40 0 JKABRN Cc1[nH]c2cc(C)ccc2c1C(=O)CSc1nnc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)n1 ZINC000072341220 569703364 /nfs/dbraw/zinc/70/33/64/569703364.db2.gz JKMVGRKNDCNIKY-UHFFFAOYSA-N 0 0 482.565 5.690 40 0 JKABRN CCC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccsc3)c(-c3ccsc3)n2)ccc1OC ZINC000072338734 569703451 /nfs/dbraw/zinc/70/34/51/569703451.db2.gz UFXKYRKKPFFTSX-UHFFFAOYSA-N 0 0 496.639 5.661 40 0 JKABRN CCOc1ccccc1C(=O)N1CCC(c2nc(NC3CCCCC3)cc(-c3ccsc3)n2)CC1 ZINC000072341344 569703522 /nfs/dbraw/zinc/70/35/22/569703522.db2.gz SKVXNSSAJKALOT-UHFFFAOYSA-N 0 0 490.673 6.368 40 0 JKABRN CC(C)(C)OC(=O)N[C@@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000072341338 569703550 /nfs/dbraw/zinc/70/35/50/569703550.db2.gz PYZSAQOFJRQSJH-GOSISDBHSA-N 0 0 485.510 5.683 40 0 JKABRN O=C([O-])C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)CC(c1ccccc1)c1ccccc1 ZINC000073633168 569704504 /nfs/dbraw/zinc/70/45/04/569704504.db2.gz 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/nfs/dbraw/zinc/70/50/57/569705057.db2.gz RZPXCOHDWBLDFJ-DXWKDWEQSA-N 0 0 471.603 6.751 40 0 JKABRN CC(C)c1ccc(O[P@](=O)(Oc2ccccc2)Oc2cc(C(C)C)cc(C(C)C)c2)cc1 ZINC000077273540 569705335 /nfs/dbraw/zinc/70/53/35/569705335.db2.gz YRHIJLBOQLOKIP-YTTGMZPUSA-N 0 0 452.531 8.702 40 0 in-vitro JKABRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(COC(=O)C(C)(C)C)C[C@@H]21 ZINC000077285089 569705350 /nfs/dbraw/zinc/70/53/50/569705350.db2.gz RCVMLSKROOJFPQ-DHIUTWEWSA-N 0 0 470.694 7.821 40 0 in-vitro JKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(C)C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000079669726 569707767 /nfs/dbraw/zinc/70/77/67/569707767.db2.gz OARSBVJBXGMAEH-OZDORTEPSA-N 0 0 470.782 8.676 40 0 JKABRN CO/C(=C/C(N)=O)[C@H](C)[C@H](/C=C\c1csc(-c2csc([C@@H](C)/C=C/C=C/C(C)C)n2)n1)OC ZINC000082172512 569708098 /nfs/dbraw/zinc/70/80/98/569708098.db2.gz XKTFQMCPGMTBMD-SHSWPDENSA-N 0 0 487.691 5.818 40 0 JKABRN CCOCCN(C(=O)Cn1c(COc2ccc(C)cc2)nc2ccccc21)c1c(C)cccc1CC 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/nfs/dbraw/zinc/72/10/69/569721069.db2.gz OKPMFVSHXLHSSR-KXQOOQHDSA-N 0 0 498.669 9.424 40 0 JKABRN C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560498 569727743 /nfs/dbraw/zinc/72/77/43/569727743.db2.gz ONYWALXTZFPKAS-UZTOHYMASA-N 0 0 499.548 7.521 40 0 in-vitro JKABRN Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1 ZINC000095566535 569727864 /nfs/dbraw/zinc/72/78/64/569727864.db2.gz VZZJRYRQSPEMTK-IAGOWNOFSA-N 0 0 485.506 5.822 40 0 in-vitro JKABRN Cc1ccc2[nH]c(=O)c(CN(CCc3cccc(F)c3)C(=O)c3ccc(OCC(C)C)cc3)cc2c1 ZINC000095951671 569731447 /nfs/dbraw/zinc/73/14/47/569731447.db2.gz AXKZHPRIYSYDHF-UHFFFAOYSA-N 0 0 486.587 5.896 40 0 JKABRN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)Cc5cnoc5C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000095949902 569731478 /nfs/dbraw/zinc/73/14/78/569731478.db2.gz IWGICSHFGAAQJD-GCMVIICMSA-N 0 0 493.732 7.663 40 0 JKABRN 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CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2)CC1 ZINC000040717651 569830447 /nfs/dbraw/zinc/83/04/47/569830447.db2.gz BSQUXASMQVNSHJ-UHFFFAOYSA-N 0 0 465.981 5.547 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000040717758 569830461 /nfs/dbraw/zinc/83/04/61/569830461.db2.gz WGYNBGHGEAMPSP-SDNWHVSQSA-N 0 0 485.337 7.169 40 0 JKABRN CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)NC1CCCCC1 ZINC000103009883 569831617 /nfs/dbraw/zinc/83/16/17/569831617.db2.gz LBTBSRAMPLSCLN-LPPUWEFUSA-N 0 0 451.950 5.071 40 0 JKABRN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000103115596 569832862 /nfs/dbraw/zinc/83/28/62/569832862.db2.gz UXWDHXJPWLTRDR-GPFAKBAASA-N 0 0 458.558 5.556 40 0 JKABRN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(O)cc1 ZINC000103140836 569833404 /nfs/dbraw/zinc/83/34/04/569833404.db2.gz GJLHWIXHJNABBW-KKMGXYRSSA-N 0 0 484.596 5.764 40 0 JKABRN Cc1ccc(COc2cccc([C@H]3C(C(=O)Nc4ccc(C)cc4C)=C(C)Nc4ncnn43)c2)cc1 ZINC000040916328 569834705 /nfs/dbraw/zinc/83/47/05/569834705.db2.gz MAWNOOOKJPAPEL-MHZLTWQESA-N 0 0 479.584 5.710 40 0 JKABRN Cc1ccc(COc2cccc([C@H]3C(C(=O)Nc4ccccc4)=C(C)Nc4ncnn43)c2)cc1 ZINC000040916319 569834760 /nfs/dbraw/zinc/83/47/60/569834760.db2.gz ZPSBWAKPIQOIJH-VWLOTQADSA-N 0 0 451.530 5.093 40 0 JKABRN Cc1ccc(COc2cccc([C@H]3C(C(=O)Nc4ccccc4C)=C(C)Nc4ncnn43)c2)cc1 ZINC000040916323 569834769 /nfs/dbraw/zinc/83/47/69/569834769.db2.gz PQWONFWKSZWYTB-SANMLTNESA-N 0 0 465.557 5.402 40 0 JKABRN Cc1cc2nc(COc3ccc(C)cc3NC(=O)C(c3ccccc3)c3ccccc3)cc(=O)n2o1 ZINC000041077214 569835316 /nfs/dbraw/zinc/83/53/16/569835316.db2.gz DRLPKMQNODTNEX-UHFFFAOYSA-N 0 0 479.536 5.254 40 0 JKABRN COc1ccccc1OCCCOc1c(Cl)cc(Cl)cc1/C=C1/N=C(c2ccco2)OC1=O ZINC000041078059 569836051 /nfs/dbraw/zinc/83/60/51/569836051.db2.gz NQJGYLFHWGGZAG-QGOAFFKASA-N 0 0 488.323 5.787 40 0 JKABRN CCCc1nn2c(nc(CSc3ccccc3NC(=O)[C@H](CC)Oc3ccccc3)cc2=O)s1 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ZINC000214325745 569876554 /nfs/dbraw/zinc/87/65/54/569876554.db2.gz NMEAQCKRYUVXPQ-OEAKJJBVSA-N 0 0 476.529 5.388 40 0 JKABRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)cc2)c1 ZINC000214319075 569876560 /nfs/dbraw/zinc/87/65/60/569876560.db2.gz ADFKTQNDFXYSCI-OEAKJJBVSA-N 0 0 476.529 5.388 40 0 JKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1F ZINC000214323545 569876571 /nfs/dbraw/zinc/87/65/71/569876571.db2.gz WERGCAWMMQWLDM-LPYMAVHISA-N 0 0 453.922 6.295 40 0 JKABRN O=C1S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C(=O)N1Cc1ccccc1F ZINC000214372329 569876594 /nfs/dbraw/zinc/87/65/94/569876594.db2.gz POLZOMHBXQIIJT-WGOQTCKBSA-N 0 0 469.537 6.794 40 0 JKABRN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)cc2)cc1 ZINC000214352007 569876610 /nfs/dbraw/zinc/87/66/10/569876610.db2.gz OFVROPXEHWVQOT-HYARGMPZSA-N 0 0 463.486 5.290 40 0 JKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1ccccc1F ZINC000214349774 569876612 /nfs/dbraw/zinc/87/66/12/569876612.db2.gz 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569876745 /nfs/dbraw/zinc/87/67/45/569876745.db2.gz CEHKFDOVGFIQMX-BUVRLJJBSA-N 0 0 472.566 5.557 40 0 JKABRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000214593102 569876762 /nfs/dbraw/zinc/87/67/62/569876762.db2.gz DFIPGBGJUSBSLV-MZJWZYIUSA-N 0 0 487.665 7.098 40 0 JKABRN COc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000214616791 569876788 /nfs/dbraw/zinc/87/67/88/569876788.db2.gz KAORIKWSXYRRCG-ZMOGYAJESA-N 0 0 497.975 6.612 40 0 JKABRN Cc1ccc(CN2C(=O)S/C(=C/c3cn(Cc4c(F)cccc4Cl)c4ccccc34)C2=O)cc1 ZINC000214622699 569876797 /nfs/dbraw/zinc/87/67/97/569876797.db2.gz BQVADZQFIXXKJJ-DHRITJCHSA-N 0 0 490.987 7.027 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000214625990 569876805 /nfs/dbraw/zinc/87/68/05/569876805.db2.gz RAKZSVMAQYGKGN-ZVHZXABRSA-N 0 0 479.985 6.473 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O)Nc1ccccc1 ZINC000214630671 569876810 /nfs/dbraw/zinc/87/68/10/569876810.db2.gz 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5.554 40 0 JKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214834947 569876999 /nfs/dbraw/zinc/87/69/99/569876999.db2.gz JPAKERIADLVYNP-LPYMAVHISA-N 0 0 470.377 6.809 40 0 JKABRN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000214884822 569877010 /nfs/dbraw/zinc/87/70/10/569877010.db2.gz XJFRIRCSKKQXOG-RQZCQDPDSA-N 0 0 487.202 6.391 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1cccc2ccccc21 ZINC000214868202 569877019 /nfs/dbraw/zinc/87/70/19/569877019.db2.gz LGEVPTCNMFLRNM-WGOQTCKBSA-N 0 0 485.992 7.309 40 0 JKABRN O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214893198 569877035 /nfs/dbraw/zinc/87/70/35/569877035.db2.gz SSEOJVWTIMZYKH-OVCLIPMQSA-N 0 0 471.145 5.587 40 0 JKABRN COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000214819645 569877038 /nfs/dbraw/zinc/87/70/38/569877038.db2.gz IMPFVCYPOKMXSZ-LZYBPNLTSA-N 0 0 473.175 6.001 40 0 JKABRN O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1cccc2ccccc21 ZINC000214948716 569877070 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CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222491081 569884788 /nfs/dbraw/zinc/88/47/88/569884788.db2.gz YPLMCHSBZUETGH-DVECYGJZSA-N 0 0 491.097 5.943 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222490983 569884792 /nfs/dbraw/zinc/88/47/92/569884792.db2.gz ZAZMIFDMDARDDP-HSZRJFAPSA-N 0 0 489.830 5.575 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1Cl ZINC000222493001 569884822 /nfs/dbraw/zinc/88/48/22/569884822.db2.gz VVWPAGKYKZWDIF-FQEVSTJZSA-N 0 0 495.845 5.122 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222496289 569884873 /nfs/dbraw/zinc/88/48/73/569884873.db2.gz FMMMHMULLBLXAU-AOMKIAJQSA-N 0 0 465.421 5.267 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000222500748 569884875 /nfs/dbraw/zinc/88/48/75/569884875.db2.gz GPZRDNLXOWAAED-HTAPYJJXSA-N 0 0 463.043 5.163 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCSc1ccc(Cl)cc1 ZINC000222495305 569884883 /nfs/dbraw/zinc/88/48/83/569884883.db2.gz IFIJICBTBKCGRJ-XMMPIXPASA-N 0 0 485.024 5.347 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222496666 569884913 /nfs/dbraw/zinc/88/49/13/569884913.db2.gz IINIACAKBGULMB-KSFYIVLOSA-N 0 0 465.421 5.267 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222501735 569884926 /nfs/dbraw/zinc/88/49/26/569884926.db2.gz OMLZRXLIIVOTEG-PXDATVDWSA-N 0 0 470.679 5.267 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000222502452 569884937 /nfs/dbraw/zinc/88/49/37/569884937.db2.gz SWXWPHRETCZUDC-MBSDFSHPSA-N 0 0 477.070 5.304 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222502661 569884941 /nfs/dbraw/zinc/88/49/41/569884941.db2.gz UAOTXNAIZZFRBP-JPYJTQIMSA-N 0 0 477.070 5.304 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222502730 569884945 /nfs/dbraw/zinc/88/49/45/569884945.db2.gz UAOTXNAIZZFRBP-MBSDFSHPSA-N 0 0 477.070 5.304 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222507629 569885048 /nfs/dbraw/zinc/88/50/48/569885048.db2.gz GXCKMHBJFIWUBF-HSZRJFAPSA-N 0 0 461.071 5.522 40 0 JKABRN CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000222517669 569885092 /nfs/dbraw/zinc/88/50/92/569885092.db2.gz YZXPBAIZFSHRDB-QHCPKHFHSA-N 0 0 461.433 5.792 40 0 JKABRN CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000222517806 569885094 /nfs/dbraw/zinc/88/50/94/569885094.db2.gz RAUZSPJQLXVRQS-DEOSSOPVSA-N 0 0 475.460 6.182 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222523210 569885117 /nfs/dbraw/zinc/88/51/17/569885117.db2.gz MYYKGDSKIYRASP-MHZLTWQESA-N 0 0 474.620 5.442 40 0 JKABRN COc1cccc(CN(C(=O)CCc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000222523579 569885118 /nfs/dbraw/zinc/88/51/18/569885118.db2.gz WUXZGHHNKWYWJP-SSEXGKCCSA-N 0 0 498.667 5.717 40 0 JKABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222532208 569885195 /nfs/dbraw/zinc/88/51/95/569885195.db2.gz KFDUZPGHLUIBAG-CYBMUJFWSA-N 0 0 459.826 5.043 40 0 JKABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222532260 569885215 /nfs/dbraw/zinc/88/52/15/569885215.db2.gz KFDUZPGHLUIBAG-ZDUSSCGKSA-N 0 0 459.826 5.043 40 0 JKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000222535724 569885232 /nfs/dbraw/zinc/88/52/32/569885232.db2.gz VPOCUFFCPGRNRQ-KRWDZBQOSA-N 0 0 451.950 6.426 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222532669 569885237 /nfs/dbraw/zinc/88/52/37/569885237.db2.gz GZCXOUPXZVZJNM-MHZLTWQESA-N 0 0 460.593 5.268 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222534202 569885245 /nfs/dbraw/zinc/88/52/45/569885245.db2.gz WYRZRVQTTHSDJA-HHHXNRCGSA-N 0 0 477.048 5.603 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222535071 569885261 /nfs/dbraw/zinc/88/52/61/569885261.db2.gz XELBNKDAWMPFDD-CYFREDJKSA-N 0 0 475.029 5.230 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc21 ZINC000222536702 569885298 /nfs/dbraw/zinc/88/52/98/569885298.db2.gz TZKSIOLTTAUKTJ-MUUNZHRXSA-N 0 0 468.572 5.298 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222537762 569885309 /nfs/dbraw/zinc/88/53/09/569885309.db2.gz HKOQIYZGVCGEMD-QFIPXVFZSA-N 0 0 465.421 5.484 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)c(C)c1 ZINC000222539570 569885340 /nfs/dbraw/zinc/88/53/40/569885340.db2.gz NBJAJNBNNOHVHZ-OAQYLSRUSA-N 0 0 495.845 5.122 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222539838 569885365 /nfs/dbraw/zinc/88/53/65/569885365.db2.gz FWNYGYCTJJVFCV-WMZHIEFXSA-N 0 0 475.029 5.066 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222541206 569885380 /nfs/dbraw/zinc/88/53/80/569885380.db2.gz KBHIVCDXIDEHFI-QHCPKHFHSA-N 0 0 459.030 5.348 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222541811 569885417 /nfs/dbraw/zinc/88/54/17/569885417.db2.gz GMWKZRYFSGOIAL-LJAQVGFWSA-N 0 0 470.657 5.567 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222542586 569885429 /nfs/dbraw/zinc/88/54/29/569885429.db2.gz HFIRLBSDXPQKEO-PMERELPUSA-N 0 0 484.684 5.902 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CCSCc1ccccc1 ZINC000222542056 569885462 /nfs/dbraw/zinc/88/54/62/569885462.db2.gz MWMJOUXUUYHNKM-GBXCKJPGSA-N 0 0 456.652 5.041 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222542753 569885475 /nfs/dbraw/zinc/88/54/75/569885475.db2.gz VECSNSRGSJSCLC-MHZLTWQESA-N 0 0 477.048 6.194 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000222544534 569885492 /nfs/dbraw/zinc/88/54/92/569885492.db2.gz PMRXHEMFTNKGGT-NRFANRHFSA-N 0 0 451.007 5.044 40 0 JKABRN Cc1cccc(CN(C(=O)COc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222546752 569885538 /nfs/dbraw/zinc/88/55/38/569885538.db2.gz KQAVFGLDEGRAJK-MUUNZHRXSA-N 0 0 472.629 5.095 40 0 JKABRN Cc1cccc(CN(C(=O)COc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222546986 569885564 /nfs/dbraw/zinc/88/55/64/569885564.db2.gz FKSWCRRKGAASRE-MHZLTWQESA-N 0 0 493.047 5.440 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222547389 569885569 /nfs/dbraw/zinc/88/55/69/569885569.db2.gz XZUSWVLLPPEKOZ-QFQXNSOFSA-N 0 0 452.639 5.473 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1F ZINC000222550552 569885588 /nfs/dbraw/zinc/88/55/88/569885588.db2.gz KPSJPDQUUNAFMU-OAQYLSRUSA-N 0 0 451.007 5.044 40 0 JKABRN Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222548718 569885591 /nfs/dbraw/zinc/88/55/91/569885591.db2.gz FPSXFDNMEZBWEL-HHHXNRCGSA-N 0 0 477.048 5.603 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222550378 569885628 /nfs/dbraw/zinc/88/56/28/569885628.db2.gz BZHMKSSTRXOFLN-MHZLTWQESA-N 0 0 493.047 5.440 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000222551850 569885680 /nfs/dbraw/zinc/88/56/80/569885680.db2.gz NKUKBYFZWQOKOE-QFIPXVFZSA-N 0 0 459.030 5.348 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000222553695 569885696 /nfs/dbraw/zinc/88/56/96/569885696.db2.gz RJGZGXGKKCBTQY-FQEVSTJZSA-N 0 0 455.813 5.521 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222552911 569885716 /nfs/dbraw/zinc/88/57/16/569885716.db2.gz HGHDBHGKJSLSBQ-CYFREDJKSA-N 0 0 491.097 5.943 40 0 JKABRN COc1cccc(CN(C(=O)Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000222555947 569885737 /nfs/dbraw/zinc/88/57/37/569885737.db2.gz JGKCCMYPJOPSQD-PMERELPUSA-N 0 0 498.667 5.635 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000222555944 569885744 /nfs/dbraw/zinc/88/57/44/569885744.db2.gz STFULQSRGTVPAJ-HXUWFJFHSA-N 0 0 453.435 5.418 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000222555687 569885751 /nfs/dbraw/zinc/88/57/51/569885751.db2.gz MKCKXEHHDTYKAV-GBXCKJPGSA-N 0 0 468.638 5.094 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222555004 569885767 /nfs/dbraw/zinc/88/57/67/569885767.db2.gz AUQACLPRQUGOOE-LJQANCHMSA-N 0 0 471.812 5.358 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222558686 569885798 /nfs/dbraw/zinc/88/57/98/569885798.db2.gz GJDSUJOMFAPQBB-ZHRRBRCNSA-N 0 0 465.421 5.267 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222558906 569885800 /nfs/dbraw/zinc/88/58/00/569885800.db2.gz NJBSSFBYKWVSOL-KSFYIVLOSA-N 0 0 465.421 5.267 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000222565422 569885903 /nfs/dbraw/zinc/88/59/03/569885903.db2.gz XURYSDUDGOFFPG-CVDCTZTESA-N 0 0 461.071 5.338 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222566812 569885904 /nfs/dbraw/zinc/88/59/04/569885904.db2.gz DQZKTVXBMFOWJY-XXBNENTESA-N 0 0 461.071 5.587 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1c(F)cccc1Cl ZINC000222568682 569885963 /nfs/dbraw/zinc/88/59/63/569885963.db2.gz YAISLYWUXXKMGT-WZONZLPQSA-N 0 0 479.061 5.477 40 0 JKABRN Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222571636 569886019 /nfs/dbraw/zinc/88/60/19/569886019.db2.gz XIWNEHMHCPFBQM-GDLZYMKVSA-N 0 0 470.657 5.648 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222574684 569886081 /nfs/dbraw/zinc/88/60/81/569886081.db2.gz HMGJCHCQUGIXSU-SANMLTNESA-N 0 0 493.047 5.440 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222576789 569886127 /nfs/dbraw/zinc/88/61/27/569886127.db2.gz BSOUTRMFLAHHIL-GDLZYMKVSA-N 0 0 486.656 5.349 40 0 JKABRN Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222579068 569886209 /nfs/dbraw/zinc/88/62/09/569886209.db2.gz WFYSBJQSLYEGSS-MUUNZHRXSA-N 0 0 456.630 5.258 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222579223 569886242 /nfs/dbraw/zinc/88/62/42/569886242.db2.gz CLODBFDPZVXKLJ-GDLZYMKVSA-N 0 0 470.657 5.567 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222583418 569886278 /nfs/dbraw/zinc/88/62/78/569886278.db2.gz MPPPMFKVFDLLQE-MHZLTWQESA-N 0 0 460.593 5.268 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222587864 569886372 /nfs/dbraw/zinc/88/63/72/569886372.db2.gz JIEUXAVLLCCORK-QFIPXVFZSA-N 0 0 465.421 5.484 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222587213 569886395 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/nfs/dbraw/zinc/92/33/61/569923361.db2.gz XLNOQJNNFWODIX-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000223789839 569923379 /nfs/dbraw/zinc/92/33/79/569923379.db2.gz FDBBCLNZRJHARO-UIOOFZCWSA-N 0 0 472.614 5.717 40 0 JKABRN Cc1ccccc1CN(C(=O)COc1ccccc1C(C)(C)C)[C@H](C)C(=O)NC1CCCC1 ZINC000223789416 569923391 /nfs/dbraw/zinc/92/33/91/569923391.db2.gz JXIQQPMWLZPBTN-OAQYLSRUSA-N 0 0 450.623 5.147 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000223789935 569923433 /nfs/dbraw/zinc/92/34/33/569923433.db2.gz FDBBCLNZRJHARO-IZZNHLLZSA-N 0 0 472.614 5.717 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223791110 569923434 /nfs/dbraw/zinc/92/34/34/569923434.db2.gz ZGNZGYXXNNWZSH-QHCPKHFHSA-N 0 0 495.516 6.589 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000223790942 569923435 /nfs/dbraw/zinc/92/34/35/569923435.db2.gz LILFPLUGWKVMRF-IZZNHLLZSA-N 0 0 454.599 5.757 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000223790904 569923466 /nfs/dbraw/zinc/92/34/66/569923466.db2.gz LILFPLUGWKVMRF-FTJBHMTQSA-N 0 0 454.599 5.757 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000223791808 569923489 /nfs/dbraw/zinc/92/34/89/569923489.db2.gz DCKZRLKTVJZLHI-JWQCQUIFSA-N 0 0 455.587 5.152 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(C)cc3)o2)cc1 ZINC000223793050 569923493 /nfs/dbraw/zinc/92/34/93/569923493.db2.gz DDEGQHCUROXYKM-UIOOFZCWSA-N 0 0 487.650 6.710 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000223791756 569923520 /nfs/dbraw/zinc/92/35/20/569923520.db2.gz DCKZRLKTVJZLHI-LOSJGSFVSA-N 0 0 455.587 5.152 40 0 JKABRN Cc1cccc(CN(C(=O)CSCc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223793683 569923526 /nfs/dbraw/zinc/92/35/26/569923526.db2.gz XRQKDSVIYDJPQS-LJQANCHMSA-N 0 0 459.055 5.358 40 0 JKABRN Cc1cccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223793626 569923554 /nfs/dbraw/zinc/92/35/54/569923554.db2.gz XRQKDSVIYDJPQS-IBGZPJMESA-N 0 0 459.055 5.358 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 ZINC000223793836 569923561 /nfs/dbraw/zinc/92/35/61/569923561.db2.gz HCKODKXEIAVOGF-UIOOFZCWSA-N 0 0 460.647 6.191 40 0 JKABRN Cc1cccc(CN(C(=O)CSCc2c(F)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223795402 569923620 /nfs/dbraw/zinc/92/36/20/569923620.db2.gz LEOCQUPNBZSOAO-GOSISDBHSA-N 0 0 477.045 5.497 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223796140 569923633 /nfs/dbraw/zinc/92/36/33/569923633.db2.gz LICYRCXTSNZQOA-HSZRJFAPSA-N 0 0 461.071 5.605 40 0 JKABRN CCOc1ccccc1CCCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000223797654 569923694 /nfs/dbraw/zinc/92/36/94/569923694.db2.gz ZNGFIBVKBMVCFV-UHFFFAOYSA-N 0 0 494.657 5.031 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223797931 569923709 /nfs/dbraw/zinc/92/37/09/569923709.db2.gz GWKMPULYWDQKTP-JOCHJYFZSA-N 0 0 499.479 6.089 40 0 JKABRN Cc1cccc(CN(C(=O)CSCc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223806875 569923885 /nfs/dbraw/zinc/92/38/85/569923885.db2.gz FJQROQLTPNPFOW-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000223806892 569923890 /nfs/dbraw/zinc/92/38/90/569923890.db2.gz YXELTKMVNKZOCS-FQEVSTJZSA-N 0 0 451.394 5.096 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223806537 569923912 /nfs/dbraw/zinc/92/39/12/569923912.db2.gz JSQKTSKJRIBYRJ-XMMPIXPASA-N 0 0 459.030 5.531 40 0 JKABRN Cc1cccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805644 569923913 /nfs/dbraw/zinc/92/39/13/569923913.db2.gz ZETXFMKJOIHIPU-NRFANRHFSA-N 0 0 450.623 5.147 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223806817 569923916 /nfs/dbraw/zinc/92/39/16/569923916.db2.gz AFOLVNZMYVCRMC-NRFANRHFSA-N 0 0 495.845 5.205 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223805402 569923929 /nfs/dbraw/zinc/92/39/29/569923929.db2.gz SRTOVKBTNRVBNE-QHCPKHFHSA-N 0 0 492.019 5.177 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223806553 569923931 /nfs/dbraw/zinc/92/39/31/569923931.db2.gz NEDJNGMKOCDNII-HSZRJFAPSA-N 0 0 479.448 5.876 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223807670 569923936 /nfs/dbraw/zinc/92/39/36/569923936.db2.gz SDNXIYSYZWUXIW-JOCHJYFZSA-N 0 0 465.034 5.436 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223807244 569923948 /nfs/dbraw/zinc/92/39/48/569923948.db2.gz HCQJGOKQBMYEQT-DEOSSOPVSA-N 0 0 459.030 5.566 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223807903 569923963 /nfs/dbraw/zinc/92/39/63/569923963.db2.gz GSCMCXRWXMVZBY-VWLOTQADSA-N 0 0 457.058 6.120 40 0 JKABRN Cc1ccc(CN(C(=O)CSCc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808139 569923967 /nfs/dbraw/zinc/92/39/67/569923967.db2.gz WKEMFIQAOXGCQJ-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223807364 569923975 /nfs/dbraw/zinc/92/39/75/569923975.db2.gz QXPKIAFEMRPLCL-MUUNZHRXSA-N 0 0 491.075 6.586 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223807888 569923980 /nfs/dbraw/zinc/92/39/80/569923980.db2.gz GSCMCXRWXMVZBY-RUZDIDTESA-N 0 0 457.058 6.120 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223809571 569923983 /nfs/dbraw/zinc/92/39/83/569923983.db2.gz UHYNCYCIJJHTBI-JOCHJYFZSA-N 0 0 465.034 5.436 40 0 JKABRN Cc1ccc(CN(C(=O)CSCc2c(F)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808239 569924005 /nfs/dbraw/zinc/92/40/05/569924005.db2.gz XWKLTGNPPWFSGQ-GOSISDBHSA-N 0 0 477.045 5.497 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223809418 569924012 /nfs/dbraw/zinc/92/40/12/569924012.db2.gz GLQRQQRSNICITP-OAQYLSRUSA-N 0 0 451.007 5.295 40 0 JKABRN CCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223814397 569924097 /nfs/dbraw/zinc/92/40/97/569924097.db2.gz KGPNTTVIJTUHEC-AVRDEDQJSA-N 0 0 459.428 5.104 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223812261 569924131 /nfs/dbraw/zinc/92/41/31/569924131.db2.gz HMMMIALQNHVJFM-OAQYLSRUSA-N 0 0 450.623 5.147 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(Cl)c1 ZINC000223814842 569924177 /nfs/dbraw/zinc/92/41/77/569924177.db2.gz BNWYMJFKRAXUAZ-KRWDZBQOSA-N 0 0 479.473 5.703 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc21 ZINC000223815602 569924185 /nfs/dbraw/zinc/92/41/85/569924185.db2.gz WRHKZGHMEWKYES-DEOSSOPVSA-N 0 0 450.554 5.081 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223815310 569924188 /nfs/dbraw/zinc/92/41/88/569924188.db2.gz NIGHNWURMPNNMR-FNZWTVRRSA-N 0 0 497.466 6.091 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1C ZINC000223818563 569924212 /nfs/dbraw/zinc/92/42/12/569924212.db2.gz DSQZNQGYIUAIQH-QHCPKHFHSA-N 0 0 495.516 6.259 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223817336 569924235 /nfs/dbraw/zinc/92/42/35/569924235.db2.gz KGPMZENUERSNEC-HSZRJFAPSA-N 0 0 479.061 6.075 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)ccc1Cl ZINC000223820592 569924242 /nfs/dbraw/zinc/92/42/42/569924242.db2.gz WDCLAQNLVMPJGW-QGZVFWFLSA-N 0 0 463.405 5.157 40 0 JKABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223820785 569924275 /nfs/dbraw/zinc/92/42/75/569924275.db2.gz WPDDURMQBIWXTJ-HXUWFJFHSA-N 0 0 457.014 5.120 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 ZINC000223820811 569924286 /nfs/dbraw/zinc/92/42/86/569924286.db2.gz YYFNSPHLIFQOTN-IBGZPJMESA-N 0 0 459.055 5.439 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc(C)c1Cl ZINC000223820525 569924287 /nfs/dbraw/zinc/92/42/87/569924287.db2.gz OBEJUNQVQOXXJR-SFHVURJKSA-N 0 0 477.432 5.465 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223826117 569924405 /nfs/dbraw/zinc/92/44/05/569924405.db2.gz SDJKRGYBCYYUCT-GOSISDBHSA-N 0 0 493.500 6.342 40 0 JKABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1)S(C)(=O)=O ZINC000223825031 569924428 /nfs/dbraw/zinc/92/44/28/569924428.db2.gz KJSRCBHTCCUQKT-UHFFFAOYSA-N 0 0 494.657 5.202 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223828900 569924502 /nfs/dbraw/zinc/92/45/02/569924502.db2.gz FZXMHXXZOIAYOM-LOSJGSFVSA-N 0 0 456.571 5.154 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223828739 569924509 /nfs/dbraw/zinc/92/45/09/569924509.db2.gz OFBHYFXOJAOZEN-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN 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Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(Cl)cc3)o2)cc1 ZINC000223871981 569925792 /nfs/dbraw/zinc/92/57/92/569925792.db2.gz JOAIBLZSKGHDHS-DHIUTWEWSA-N 0 0 480.014 6.362 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000223871605 569925794 /nfs/dbraw/zinc/92/57/94/569925794.db2.gz GWTGVKVWIPVVKQ-UHFFFAOYSA-N 0 0 498.819 5.037 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000223872746 569925800 /nfs/dbraw/zinc/92/58/00/569925800.db2.gz DKTXSUISUOHTKP-GOTSBHOMSA-N 0 0 492.398 5.987 40 0 JKABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223873257 569925808 /nfs/dbraw/zinc/92/58/08/569925808.db2.gz UGBPAYNFIQNUME-RPBOFIJWSA-N 0 0 457.555 5.623 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000223872838 569925836 /nfs/dbraw/zinc/92/58/36/569925836.db2.gz DKTXSUISUOHTKP-XZOQPEGZSA-N 0 0 492.398 5.987 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223875330 569925871 /nfs/dbraw/zinc/92/58/71/569925871.db2.gz RAPCHCVNMYYXJN-KRWDZBQOSA-N 0 0 493.417 5.034 40 0 JKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000223874560 569925881 /nfs/dbraw/zinc/92/58/81/569925881.db2.gz RGSPTAMBFVYUOO-DHIUTWEWSA-N 0 0 482.392 6.531 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000223874759 569925882 /nfs/dbraw/zinc/92/58/82/569925882.db2.gz GDQZIKCVPCTZPP-INIZCTEOSA-N 0 0 453.435 5.088 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223875595 569925896 /nfs/dbraw/zinc/92/58/96/569925896.db2.gz ZOFPGIJURFAQEW-MRXNPFEDSA-N 0 0 451.394 5.049 40 0 JKABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223876386 569925928 /nfs/dbraw/zinc/92/59/28/569925928.db2.gz BRUWBVMDPQIURT-RPWUZVMVSA-N 0 0 461.974 6.186 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223876788 569925941 /nfs/dbraw/zinc/92/59/41/569925941.db2.gz VRJREYNPXDIZNO-LBPRGKRZSA-N 0 0 462.204 5.396 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000223876981 569925965 /nfs/dbraw/zinc/92/59/65/569925965.db2.gz BYEXROSANVJXMR-GFCCVEGCSA-N 0 0 462.204 5.396 40 0 JKABRN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1Cl ZINC000223876974 569925969 /nfs/dbraw/zinc/92/59/69/569925969.db2.gz JSXCIAZBUCYXGP-ZEQRLZLVSA-N 0 0 461.974 6.186 40 0 JKABRN CC(C)(C)CC(C)(C)NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O ZINC000223879108 569925980 /nfs/dbraw/zinc/92/59/80/569925980.db2.gz LFTUZTDPRDHYNG-UHFFFAOYSA-N 0 0 474.711 5.251 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1NC(=O)C(C)C ZINC000223878329 569925993 /nfs/dbraw/zinc/92/59/93/569925993.db2.gz PMOIVSXADIHBGY-UHFFFAOYSA-N 0 0 477.833 5.220 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1Cl ZINC000223879427 569926056 /nfs/dbraw/zinc/92/60/56/569926056.db2.gz XVKFXJWFXKELDA-CQSZACIVSA-N 0 0 473.853 5.433 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223880387 569926110 /nfs/dbraw/zinc/92/61/10/569926110.db2.gz OAQOWZXBNJZCST-INIZCTEOSA-N 0 0 453.435 5.337 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2ccc(Cl)cc2)cc1 ZINC000223882767 569926132 /nfs/dbraw/zinc/92/61/32/569926132.db2.gz IEDFHRBQZJTZJN-UHFFFAOYSA-N 0 0 499.017 5.001 40 0 JKABRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 ZINC000223881677 569926157 /nfs/dbraw/zinc/92/61/57/569926157.db2.gz AFIADQOJBVFHRY-BJKOFHAPSA-N 0 0 471.538 5.011 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000223883425 569926214 /nfs/dbraw/zinc/92/62/14/569926214.db2.gz ANAVLNSDZPPXHU-QHCPKHFHSA-N 0 0 463.449 5.958 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccnc1 ZINC000223887968 569926301 /nfs/dbraw/zinc/92/63/01/569926301.db2.gz KGQZFFROTKQQIJ-FTJBHMTQSA-N 0 0 468.630 5.127 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223887603 569926337 /nfs/dbraw/zinc/92/63/37/569926337.db2.gz LMEJHSQPWARFPV-FQEVSTJZSA-N 0 0 452.614 5.532 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1Cc1ccco1 ZINC000223888750 569926344 /nfs/dbraw/zinc/92/63/44/569926344.db2.gz HSFRVHXBNCEXPO-IZZNHLLZSA-N 0 0 471.630 5.384 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)ccc1C ZINC000223888572 569926348 /nfs/dbraw/zinc/92/63/48/569926348.db2.gz QNMLDQCGBUPKGQ-JOCHJYFZSA-N 0 0 479.448 5.713 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1 ZINC000223889047 569926376 /nfs/dbraw/zinc/92/63/76/569926376.db2.gz URBLDRUPCLSSAO-JWQCQUIFSA-N 0 0 492.023 5.908 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)ccc1C ZINC000223888622 569926378 /nfs/dbraw/zinc/92/63/78/569926378.db2.gz QNMLDQCGBUPKGQ-QFIPXVFZSA-N 0 0 479.448 5.713 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223890891 569926397 /nfs/dbraw/zinc/92/63/97/569926397.db2.gz QWKRJAUEJNQKBS-GOSISDBHSA-N 0 0 477.468 5.183 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CCCC1 ZINC000223892701 569926469 /nfs/dbraw/zinc/92/64/69/569926469.db2.gz HQEMSHAXFIJSID-IZZNHLLZSA-N 0 0 459.663 5.858 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223893139 569926474 /nfs/dbraw/zinc/92/64/74/569926474.db2.gz NSNWUGYAFSWEME-JOCHJYFZSA-N 0 0 472.604 5.824 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(C)c1C ZINC000223897829 569926600 /nfs/dbraw/zinc/92/66/00/569926600.db2.gz LYHRIWNNIVEYEH-QFIPXVFZSA-N 0 0 479.448 5.713 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000223900069 569926619 /nfs/dbraw/zinc/92/66/19/569926619.db2.gz SZYBQEUYIBCXIZ-NRFANRHFSA-N 0 0 485.839 5.749 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000223898492 569926647 /nfs/dbraw/zinc/92/66/47/569926647.db2.gz NDJPWXJYEXYKAT-NRFANRHFSA-N 0 0 469.840 5.913 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C ZINC000223899893 569926651 /nfs/dbraw/zinc/92/66/51/569926651.db2.gz NWAJNCDXIKJESB-OAQYLSRUSA-N 0 0 465.421 5.404 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223901293 569926658 /nfs/dbraw/zinc/92/66/58/569926658.db2.gz FKIYNTWOKAFSOI-HSZRJFAPSA-N 0 0 495.516 6.259 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000223900334 569926661 /nfs/dbraw/zinc/92/66/61/569926661.db2.gz RXAYWIHMCRUCDA-QFIPXVFZSA-N 0 0 481.420 5.105 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC ZINC000223900481 569926663 /nfs/dbraw/zinc/92/66/63/569926663.db2.gz SWTNZZNCFJJOJL-FQEVSTJZSA-N 0 0 481.420 5.105 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223901653 569926708 /nfs/dbraw/zinc/92/67/08/569926708.db2.gz BONIXNXLFAJVLT-OAHLLOKOSA-N 0 0 451.369 5.151 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223901342 569926742 /nfs/dbraw/zinc/92/67/42/569926742.db2.gz HAIGPNIIJNMXFQ-HNNXBMFYSA-N 0 0 451.369 5.151 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 ZINC000223904737 569926761 /nfs/dbraw/zinc/92/67/61/569926761.db2.gz SQXNTKUZPNVQIA-KRWDZBQOSA-N 0 0 479.473 5.952 40 0 JKABRN COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 ZINC000223907158 569926864 /nfs/dbraw/zinc/92/68/64/569926864.db2.gz COHUJBKLCPDUFD-UIOOFZCWSA-N 0 0 469.614 5.124 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223906434 569926887 /nfs/dbraw/zinc/92/68/87/569926887.db2.gz LFQGHQWZKWDQIN-JWQCQUIFSA-N 0 0 457.578 5.255 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)cc1 ZINC000223909446 569926907 /nfs/dbraw/zinc/92/69/07/569926907.db2.gz NCIVRLVIGQGBTA-VMPREFPWSA-N 0 0 489.648 6.269 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000223909302 569926939 /nfs/dbraw/zinc/92/69/39/569926939.db2.gz FRUUMHPTEQCJAH-RPWUZVMVSA-N 0 0 475.021 5.164 40 0 JKABRN Cc1nc(NC(=S)NCc2ccc(-c3ccccc3)o2)c(Br)cc1Br ZINC000223908913 569926945 /nfs/dbraw/zinc/92/69/45/569926945.db2.gz ILQUPDANVGWKDO-UHFFFAOYSA-N 0 0 481.213 5.662 40 0 JKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1C ZINC000223908797 569926946 /nfs/dbraw/zinc/92/69/46/569926946.db2.gz DITYEZSJHLGJRX-KAYWLYCHSA-N 0 0 467.642 5.732 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)S(=O)(=O)c2ccccc2)cc1 ZINC000223911626 569927048 /nfs/dbraw/zinc/92/70/48/569927048.db2.gz OFZJKPLNMKUUIA-UHFFFAOYSA-N 0 0 499.017 5.001 40 0 JKABRN Cc1nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Br ZINC000223913564 569927067 /nfs/dbraw/zinc/92/70/67/569927067.db2.gz YEGIDLCERRYPDC-UHFFFAOYSA-N 0 0 471.207 6.206 40 0 JKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223914486 569927071 /nfs/dbraw/zinc/92/70/71/569927071.db2.gz ZYUCODCGUFOHEW-IZZNHLLZSA-N 0 0 489.044 6.547 40 0 JKABRN Cc1nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)c(Br)cc1Cl ZINC000223913483 569927090 /nfs/dbraw/zinc/92/70/90/569927090.db2.gz NGPGHMJBLVPZPZ-UHFFFAOYSA-N 0 0 471.207 6.206 40 0 JKABRN CCCC[C@H](CC)CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223914634 569927101 /nfs/dbraw/zinc/92/71/01/569927101.db2.gz WCTHYJKTRFFXMN-IBGZPJMESA-N 0 0 451.032 5.176 40 0 JKABRN C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)C1 ZINC000223916522 569927114 /nfs/dbraw/zinc/92/71/14/569927114.db2.gz DOACLFAYVSTDHO-IRXDYDNUSA-N 0 0 455.027 5.964 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223916062 569927133 /nfs/dbraw/zinc/92/71/33/569927133.db2.gz YDMBJZXUHQRWCA-LJQANCHMSA-N 0 0 487.482 5.623 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc21 ZINC000223917232 569927181 /nfs/dbraw/zinc/92/71/81/569927181.db2.gz RPYRUAGVTIABPV-QGZVFWFLSA-N 0 0 457.401 5.633 40 0 JKABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000223916878 569927210 /nfs/dbraw/zinc/92/72/10/569927210.db2.gz WUKLBIUUZQRWCK-UHFFFAOYSA-N 0 0 475.017 6.566 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223917734 569927213 /nfs/dbraw/zinc/92/72/13/569927213.db2.gz IDJGSCQGAYCLOP-QGZVFWFLSA-N 0 0 495.845 5.205 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223917788 569927219 /nfs/dbraw/zinc/92/72/19/569927219.db2.gz IDJGSCQGAYCLOP-KRWDZBQOSA-N 0 0 495.845 5.205 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223917415 569927221 /nfs/dbraw/zinc/92/72/21/569927221.db2.gz CSYJNGHPXLXNHG-HNNXBMFYSA-N 0 0 487.880 6.073 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223920625 569927315 /nfs/dbraw/zinc/92/73/15/569927315.db2.gz AZTSUQPPTIBMJM-KRWDZBQOSA-N 0 0 495.845 5.042 40 0 JKABRN COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)c1 ZINC000223918937 569927272 /nfs/dbraw/zinc/92/72/72/569927272.db2.gz OZJLZDZUIRDVSD-UIOOFZCWSA-N 0 0 498.608 5.371 40 0 JKABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223919080 569927278 /nfs/dbraw/zinc/92/72/78/569927278.db2.gz VTRXKMMCZMVTFQ-IZZNHLLZSA-N 0 0 498.608 5.371 40 0 JKABRN COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)c1 ZINC000223918858 569927286 /nfs/dbraw/zinc/92/72/86/569927286.db2.gz OZJLZDZUIRDVSD-FTJBHMTQSA-N 0 0 498.608 5.371 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C(C)C ZINC000223918783 569927301 /nfs/dbraw/zinc/92/73/01/569927301.db2.gz GZLQRUSVLLWOEB-MRXNPFEDSA-N 0 0 451.394 5.049 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C(C)C ZINC000223918835 569927303 /nfs/dbraw/zinc/92/73/03/569927303.db2.gz GZLQRUSVLLWOEB-INIZCTEOSA-N 0 0 451.394 5.049 40 0 JKABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(CSc4ccccc4)cc3)ccc21 ZINC000223920034 569927310 /nfs/dbraw/zinc/92/73/10/569927310.db2.gz AFLNMTSIWAQMFT-UHFFFAOYSA-N 0 0 452.601 5.079 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCSCc1ccccc1 ZINC000223921656 569927412 /nfs/dbraw/zinc/92/74/12/569927412.db2.gz ITMKYXBHOAMGSZ-GOSISDBHSA-N 0 0 477.468 5.016 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223924211 569927453 /nfs/dbraw/zinc/92/74/53/569927453.db2.gz OBFLEKHWRTUGQB-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223924856 569927516 /nfs/dbraw/zinc/92/75/16/569927516.db2.gz WSVOUQIZFXLTDI-IBGZPJMESA-N 0 0 473.455 5.449 40 0 JKABRN COC(=O)CSc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 ZINC000223925330 569927531 /nfs/dbraw/zinc/92/75/31/569927531.db2.gz ORBCDWKFBILVBE-UHFFFAOYSA-N 0 0 466.009 5.001 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1c1ccc(N2CCOCC2)cc1 ZINC000223928299 569927542 /nfs/dbraw/zinc/92/75/42/569927542.db2.gz DIJXYWJWEWRUJM-UIOOFZCWSA-N 0 0 473.646 5.012 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1Cl ZINC000223928190 569927543 /nfs/dbraw/zinc/92/75/43/569927543.db2.gz UASDWTBIUOJCAA-OAHLLOKOSA-N 0 0 483.823 5.502 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223928239 569927581 /nfs/dbraw/zinc/92/75/81/569927581.db2.gz LBAUTXPFKFBUKC-OAQYLSRUSA-N 0 0 469.840 5.913 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223929882 569927598 /nfs/dbraw/zinc/92/75/98/569927598.db2.gz PGWVVLKWLSZLEY-HSZRJFAPSA-N 0 0 479.448 5.876 40 0 JKABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223930175 569927600 /nfs/dbraw/zinc/92/76/00/569927600.db2.gz JUQBVSBTLUOMQV-IBGZPJMESA-N 0 0 491.459 5.774 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1cccc2ccccc21 ZINC000223928768 569927621 /nfs/dbraw/zinc/92/76/21/569927621.db2.gz ALPQIKWYNFQWOM-IBGZPJMESA-N 0 0 481.434 5.478 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223931436 569927644 /nfs/dbraw/zinc/92/76/44/569927644.db2.gz GJSAXNZBBNBEBV-AWEZNQCLSA-N 0 0 486.237 5.242 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223933008 569927705 /nfs/dbraw/zinc/92/77/05/569927705.db2.gz XNEUFYRQYBIMFI-GOSISDBHSA-N 0 0 475.460 5.965 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(CC)cc1 ZINC000223933682 569927709 /nfs/dbraw/zinc/92/77/09/569927709.db2.gz OOMZFJDGYNXXOC-HSZRJFAPSA-N 0 0 479.448 5.658 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223934158 569927728 /nfs/dbraw/zinc/92/77/28/569927728.db2.gz QQKJOSHZWZHKBM-LJQANCHMSA-N 0 0 491.495 5.243 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)ccc1C ZINC000223933603 569927729 /nfs/dbraw/zinc/92/77/29/569927729.db2.gz CYUVHAHPKAZFEA-QFIPXVFZSA-N 0 0 479.448 5.713 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223934403 569927733 /nfs/dbraw/zinc/92/77/33/569927733.db2.gz NMAROPDYXPVJGH-MRXNPFEDSA-N 0 0 497.886 5.279 40 0 JKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223932337 569927737 /nfs/dbraw/zinc/92/77/37/569927737.db2.gz VBWAPBVTEYFXLI-GOSISDBHSA-N 0 0 461.433 5.629 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSCc1ccccc1 ZINC000223934093 569927742 /nfs/dbraw/zinc/92/77/42/569927742.db2.gz XXDHUHDMPDFQRY-HSZRJFAPSA-N 0 0 495.516 6.340 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223934594 569927784 /nfs/dbraw/zinc/92/77/84/569927784.db2.gz CUJLYMMRBSDRTJ-INIZCTEOSA-N 0 0 497.886 5.279 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223936146 569927785 /nfs/dbraw/zinc/92/77/85/569927785.db2.gz QOTKHABLRIZHRP-INIZCTEOSA-N 0 0 491.415 5.131 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223935234 569927795 /nfs/dbraw/zinc/92/77/95/569927795.db2.gz BBMBPCXVUATDTR-SFHVURJKSA-N 0 0 477.468 5.183 40 0 JKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223939827 569927803 /nfs/dbraw/zinc/92/78/03/569927803.db2.gz PCFYMRALHBJJDO-GOSISDBHSA-N 0 0 461.433 5.629 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223938880 569927827 /nfs/dbraw/zinc/92/78/27/569927827.db2.gz IQMGGTZUGYKFGO-QFIPXVFZSA-N 0 0 483.867 6.303 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl ZINC000223938797 569927836 /nfs/dbraw/zinc/92/78/36/569927836.db2.gz PEFWBENYHMBJEV-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl ZINC000223938740 569927838 /nfs/dbraw/zinc/92/78/38/569927838.db2.gz PEFWBENYHMBJEV-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000223938212 569927848 /nfs/dbraw/zinc/92/78/48/569927848.db2.gz MHVPZEPYLGHVIL-SFHVURJKSA-N 0 0 477.432 5.465 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccccc1 ZINC000223941017 569927876 /nfs/dbraw/zinc/92/78/76/569927876.db2.gz FIUPXKZUYIXWEB-INIZCTEOSA-N 0 0 465.446 5.562 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223941247 569927888 /nfs/dbraw/zinc/92/78/88/569927888.db2.gz FTHLETNKWQCNII-AREMUKBSSA-N 0 0 499.482 6.803 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223942937 569927933 /nfs/dbraw/zinc/92/79/33/569927933.db2.gz NGOPNHIQWUUGOK-GOSISDBHSA-N 0 0 493.500 6.260 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)cc1 ZINC000223942241 569927936 /nfs/dbraw/zinc/92/79/36/569927936.db2.gz SMODGJFVSDUCQB-JOCHJYFZSA-N 0 0 465.421 5.404 40 0 JKABRN Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223942661 569927947 /nfs/dbraw/zinc/92/79/47/569927947.db2.gz VSMDXSJXOKMHSD-IZLXSDGUSA-N 0 0 495.652 5.194 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)cc1C ZINC000223943227 569927963 /nfs/dbraw/zinc/92/79/63/569927963.db2.gz MWGZPRZHTJHXBV-QFIPXVFZSA-N 0 0 479.448 5.713 40 0 JKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223942908 569927966 /nfs/dbraw/zinc/92/79/66/569927966.db2.gz XJTLASDCJPYJNA-IZLXSDGUSA-N 0 0 495.652 5.194 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F ZINC000223945058 569928017 /nfs/dbraw/zinc/92/80/17/569928017.db2.gz HHMVRVJQWYUHDA-NRFANRHFSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223943663 569928018 /nfs/dbraw/zinc/92/80/18/569928018.db2.gz PVLJDSRTNSUXPR-NRFANRHFSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223943603 569928027 /nfs/dbraw/zinc/92/80/27/569928027.db2.gz PVLJDSRTNSUXPR-OAQYLSRUSA-N 0 0 453.385 5.399 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223944372 569928032 /nfs/dbraw/zinc/92/80/32/569928032.db2.gz LMWVKRANILGJLA-NRFANRHFSA-N 0 0 487.830 6.052 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3C)ccc21 ZINC000223945596 569928101 /nfs/dbraw/zinc/92/81/01/569928101.db2.gz FVVCCSBQEVUHPK-BWAHOGKJSA-N 0 0 463.537 6.125 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223947774 569928142 /nfs/dbraw/zinc/92/81/42/569928142.db2.gz LVBRMYLCGRNJFN-QHCPKHFHSA-N 0 0 477.070 5.555 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223948046 569928144 /nfs/dbraw/zinc/92/81/44/569928144.db2.gz RXJMPXRKZOKOIQ-DEOSSOPVSA-N 0 0 456.652 5.210 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000223948637 569928145 /nfs/dbraw/zinc/92/81/45/569928145.db2.gz QSXPNDXDJYDFDP-HSZRJFAPSA-N 0 0 495.060 5.445 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954485 569928297 /nfs/dbraw/zinc/92/82/97/569928297.db2.gz JMCYPOFVCJIYDM-KAYWLYCHSA-N 0 0 487.673 5.402 40 0 JKABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223956640 569928391 /nfs/dbraw/zinc/92/83/91/569928391.db2.gz WOZPANHLUVHIPS-LJQANCHMSA-N 0 0 471.022 5.284 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223957083 569928422 /nfs/dbraw/zinc/92/84/22/569928422.db2.gz IWVDTFLEVSEPPA-QGZVFWFLSA-N 0 0 495.447 5.277 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223957139 569928442 /nfs/dbraw/zinc/92/84/42/569928442.db2.gz IWVDTFLEVSEPPA-KRWDZBQOSA-N 0 0 495.447 5.277 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 ZINC000223960257 569928472 /nfs/dbraw/zinc/92/84/72/569928472.db2.gz RHWHCVOVQDZUPW-RBUKOAKNSA-N 0 0 473.421 5.041 40 0 JKABRN CSc1ccc(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1NC(=O)C(C)C ZINC000223959763 569928478 /nfs/dbraw/zinc/92/84/78/569928478.db2.gz SURUDFPQCVAUKV-OAQYLSRUSA-N 0 0 488.675 5.508 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 ZINC000223959993 569928505 /nfs/dbraw/zinc/92/85/05/569928505.db2.gz YDTSYMAUOMEAGA-RBUKOAKNSA-N 0 0 473.421 5.041 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000223964599 569928719 /nfs/dbraw/zinc/92/87/19/569928719.db2.gz BIQOVRSFKVPTNB-LBPRGKRZSA-N 0 0 462.204 5.396 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCSCc1ccccc1 ZINC000223966497 569928749 /nfs/dbraw/zinc/92/87/49/569928749.db2.gz SZMVRLJLAHOWSB-GOSISDBHSA-N 0 0 477.468 5.016 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000223965472 569928760 /nfs/dbraw/zinc/92/87/60/569928760.db2.gz ABICVUBXCASSTJ-CLJLJLNGSA-N 0 0 485.613 5.277 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000223965376 569928787 /nfs/dbraw/zinc/92/87/87/569928787.db2.gz ABICVUBXCASSTJ-FTJBHMTQSA-N 0 0 485.613 5.277 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)ccc1Cl ZINC000223966541 569928789 /nfs/dbraw/zinc/92/87/89/569928789.db2.gz PQXNFKMIVSWPQV-INIZCTEOSA-N 0 0 497.850 5.810 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000223966683 569928825 /nfs/dbraw/zinc/92/88/25/569928825.db2.gz AQPCVBYQYOMTGF-CLJLJLNGSA-N 0 0 467.598 5.316 40 0 JKABRN CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c2ccccc2O1 ZINC000223967488 569928834 /nfs/dbraw/zinc/92/88/34/569928834.db2.gz DECDDLXNHXUJCY-HSZRJFAPSA-N 0 0 485.466 5.860 40 0 JKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223969539 569928911 /nfs/dbraw/zinc/92/89/11/569928911.db2.gz WUPIAOSQNHFHFE-GOSISDBHSA-N 0 0 461.433 5.629 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 ZINC000223970831 569928929 /nfs/dbraw/zinc/92/89/29/569928929.db2.gz PLJIEZQHPIJFAG-CLJLJLNGSA-N 0 0 473.646 5.751 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccccc3)c2C)cc1 ZINC000223971616 569928963 /nfs/dbraw/zinc/92/89/63/569928963.db2.gz FMPSZYYGSPDRIW-NSOVKSMOSA-N 0 0 495.652 5.684 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223970223 569928973 /nfs/dbraw/zinc/92/89/73/569928973.db2.gz KZJGKBAUZRXURD-GOSISDBHSA-N 0 0 475.460 5.965 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc21 ZINC000223973479 569928997 /nfs/dbraw/zinc/92/89/97/569928997.db2.gz LFYNXQKUSLXIAW-IBGZPJMESA-N 0 0 497.466 6.555 40 0 JKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2cccc3ccccc32)c1 ZINC000223971945 569929050 /nfs/dbraw/zinc/92/90/50/569929050.db2.gz AINIPSUBZWNCTR-XHPQRKPJSA-N 0 0 454.595 5.730 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223974242 569929059 /nfs/dbraw/zinc/92/90/59/569929059.db2.gz VFGAPSVAKRGXRR-KRWDZBQOSA-N 0 0 463.405 5.157 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000223974567 569929067 /nfs/dbraw/zinc/92/90/67/569929067.db2.gz UJKHSKXDWGARRV-OAHLLOKOSA-N 0 0 483.823 5.502 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223976028 569929149 /nfs/dbraw/zinc/92/91/49/569929149.db2.gz SECWFHZAKYLFCN-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000223975295 569929151 /nfs/dbraw/zinc/92/91/51/569929151.db2.gz MZUNMMSTQCLKNO-SFHVURJKSA-N 0 0 477.432 5.465 40 0 JKABRN Cc1nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)c(Br)cc1Cl ZINC000223976014 569929160 /nfs/dbraw/zinc/92/91/60/569929160.db2.gz FJPSETOWGORWMP-UHFFFAOYSA-N 0 0 473.267 6.258 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223976364 569929168 /nfs/dbraw/zinc/92/91/68/569929168.db2.gz KWYSJNKRTKCUDP-AWEZNQCLSA-N 0 0 486.237 5.242 40 0 JKABRN Cc1c(Cl)cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)c1Br ZINC000223976825 569929179 /nfs/dbraw/zinc/92/91/79/569929179.db2.gz YXEKJWYPUZPNCP-UHFFFAOYSA-N 0 0 473.267 6.258 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223976324 569929192 /nfs/dbraw/zinc/92/91/92/569929192.db2.gz KWYSJNKRTKCUDP-CQSZACIVSA-N 0 0 486.237 5.242 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000223979119 569929225 /nfs/dbraw/zinc/92/92/25/569929225.db2.gz SCJSGUZNYHDCCM-SANMLTNESA-N 0 0 495.088 5.740 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000223979068 569929231 /nfs/dbraw/zinc/92/92/31/569929231.db2.gz SCJSGUZNYHDCCM-AREMUKBSSA-N 0 0 495.088 5.740 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223979104 569929251 /nfs/dbraw/zinc/92/92/51/569929251.db2.gz WBUHLXYBTCYJSI-LJAQVGFWSA-N 0 0 486.656 5.941 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 ZINC000223979521 569929301 /nfs/dbraw/zinc/92/93/01/569929301.db2.gz XKDQBLNXHJKXQO-KRWDZBQOSA-N 0 0 479.473 5.952 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223981732 569929344 /nfs/dbraw/zinc/92/93/44/569929344.db2.gz KPTHAWTXGUJEPE-AREMUKBSSA-N 0 0 452.639 5.475 40 0 JKABRN Fc1ccc(C2(CNC(=S)Nc3ncc(Br)cc3Br)CCCC2)cc1 ZINC000223980516 569929367 /nfs/dbraw/zinc/92/93/67/569929367.db2.gz SFOPVRCKTBYBIJ-UHFFFAOYSA-N 0 0 487.236 5.544 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000223983087 569929379 /nfs/dbraw/zinc/92/93/79/569929379.db2.gz CFZWLASYNBBXQS-RPBOFIJWSA-N 0 0 453.571 5.008 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223984798 569929477 /nfs/dbraw/zinc/92/94/77/569929477.db2.gz QKHSZEKFEKDSTL-LOSJGSFVSA-N 0 0 471.561 5.147 40 0 JKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)cc1 ZINC000223986105 569929480 /nfs/dbraw/zinc/92/94/80/569929480.db2.gz TVELUXWRBOCSAW-KAYWLYCHSA-N 0 0 497.624 5.407 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc21 ZINC000223985529 569929487 /nfs/dbraw/zinc/92/94/87/569929487.db2.gz LHNVULNTHDYTPG-HHHXNRCGSA-N 0 0 460.618 5.505 40 0 JKABRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)cc1 ZINC000223985633 569929492 /nfs/dbraw/zinc/92/94/92/569929492.db2.gz IAXLZLYBRHYBEY-CLJLJLNGSA-N 0 0 483.597 5.016 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)ccc2C)c2ccc(C(C)C)cc2)cc1 ZINC000223986867 569929537 /nfs/dbraw/zinc/92/95/37/569929537.db2.gz NTHXRYPDUQDHIQ-UHFFFAOYSA-N 0 0 494.657 5.126 40 0 JKABRN C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCCC3)cn2)C1 ZINC000223988877 569929592 /nfs/dbraw/zinc/92/95/92/569929592.db2.gz SPTFFGRXSFAFAS-OALUTQOASA-N 0 0 457.087 6.016 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223988982 569929599 /nfs/dbraw/zinc/92/95/99/569929599.db2.gz JDOWKUTXXOQLDT-RPBOFIJWSA-N 0 0 454.555 5.477 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223988120 569929603 /nfs/dbraw/zinc/92/96/03/569929603.db2.gz NRLUPFBSVBUZAC-JOCHJYFZSA-N 0 0 465.421 5.268 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223988534 569929608 /nfs/dbraw/zinc/92/96/08/569929608.db2.gz UUSSHWRBLAEWTP-JOCHJYFZSA-N 0 0 465.421 5.268 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223989331 569929639 /nfs/dbraw/zinc/92/96/39/569929639.db2.gz VEUUDDRNQOCDFV-JWQCQUIFSA-N 0 0 472.545 5.616 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000223989571 569929654 /nfs/dbraw/zinc/92/96/54/569929654.db2.gz JZYWBHWIGHEOAG-JWQCQUIFSA-N 0 0 489.000 6.131 40 0 JKABRN S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 ZINC000223990014 569929668 /nfs/dbraw/zinc/92/96/68/569929668.db2.gz LSPPHYLZAWGVNP-UHFFFAOYSA-N 0 0 487.072 7.430 40 0 JKABRN S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223989494 569929669 /nfs/dbraw/zinc/92/96/69/569929669.db2.gz OVKSWRIPHOQSBE-UHFFFAOYSA-N 0 0 488.509 7.338 40 0 JKABRN S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc(N2CCc3ccccc3C2)nc1 ZINC000223989121 569929675 /nfs/dbraw/zinc/92/96/75/569929675.db2.gz HAUSMQKZQKQSHW-UHFFFAOYSA-N 0 0 477.077 6.096 40 0 JKABRN Cc1cccc(Nc2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCCC3)cn2)c1 ZINC000223989871 569929678 /nfs/dbraw/zinc/92/96/78/569929678.db2.gz YMMLIPDXXXHUQT-UHFFFAOYSA-N 0 0 451.039 6.585 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223990911 569929704 /nfs/dbraw/zinc/92/97/04/569929704.db2.gz OZFJKHSCZQXWCW-RUZDIDTESA-N 0 0 470.679 5.269 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223991362 569929722 /nfs/dbraw/zinc/92/97/22/569929722.db2.gz NMKSOCINIZJZGJ-QHCPKHFHSA-N 0 0 477.070 5.306 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223995228 569929733 /nfs/dbraw/zinc/92/97/33/569929733.db2.gz PUPDVHGTVBWEEN-DQEYMECFSA-N 0 0 453.571 5.008 40 0 JKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ncc(Br)cc1Cl ZINC000223995012 569929737 /nfs/dbraw/zinc/92/97/37/569929737.db2.gz BCBNADJCSDYUOE-UHFFFAOYSA-N 0 0 473.267 6.339 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223992780 569929761 /nfs/dbraw/zinc/92/97/61/569929761.db2.gz HTYIAYPSAVEJPF-ZBLYBZFDSA-N 0 0 493.047 5.446 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 ZINC000223993081 569929764 /nfs/dbraw/zinc/92/97/64/569929764.db2.gz QPLDGKANDXKGGW-OUTSHDOLSA-N 0 0 486.656 5.491 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223992727 569929783 /nfs/dbraw/zinc/92/97/83/569929783.db2.gz HTYIAYPSAVEJPF-KDYSTLNUSA-N 0 0 493.047 5.446 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223995323 569929833 /nfs/dbraw/zinc/92/98/33/569929833.db2.gz PUPDVHGTVBWEEN-LOSJGSFVSA-N 0 0 453.571 5.008 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223996626 569929855 /nfs/dbraw/zinc/92/98/55/569929855.db2.gz ZRJNCMHMLSIQJF-FUFSCUOVSA-N 0 0 486.656 5.409 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223996686 569929879 /nfs/dbraw/zinc/92/98/79/569929879.db2.gz ZRJNCMHMLSIQJF-PWUYWRBVSA-N 0 0 486.656 5.409 40 0 JKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)cn1 ZINC000223998581 569929916 /nfs/dbraw/zinc/92/99/16/569929916.db2.gz PYNKESSXILWIGX-LJQANCHMSA-N 0 0 457.087 6.302 40 0 JKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ccc(N2CCCCCC2)nc1 ZINC000223999245 569929954 /nfs/dbraw/zinc/92/99/54/569929954.db2.gz QCCFTQMGOQIGNU-UHFFFAOYSA-N 0 0 457.087 6.304 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1C ZINC000224000144 569929957 /nfs/dbraw/zinc/92/99/57/569929957.db2.gz RXJURFWMYUGCQF-GOSISDBHSA-N 0 0 477.432 5.465 40 0 JKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ccc(Oc2ccccc2)nc1 ZINC000223999548 569929969 /nfs/dbraw/zinc/92/99/69/569929969.db2.gz WGAOMQRKEWEGKX-UHFFFAOYSA-N 0 0 452.023 6.716 40 0 JKABRN Cc1ccc(OCCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224000434 569929972 /nfs/dbraw/zinc/92/99/72/569929972.db2.gz ZSNZDYQQIFAUIH-LJQANCHMSA-N 0 0 491.459 5.937 40 0 JKABRN Cc1nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)c(Cl)cc1Br ZINC000224000878 569930008 /nfs/dbraw/zinc/93/00/08/569930008.db2.gz CHMWMBMBCKWARD-UHFFFAOYSA-N 0 0 487.294 6.648 40 0 JKABRN Cc1nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)c(Br)cc1Cl ZINC000224000797 569930035 /nfs/dbraw/zinc/93/00/35/569930035.db2.gz PFWOHRFRTAFZHJ-UHFFFAOYSA-N 0 0 487.294 6.648 40 0 JKABRN C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCCCC3)cn2)C1 ZINC000224003355 569930056 /nfs/dbraw/zinc/93/00/56/569930056.db2.gz GWUUIJHKHYVQDP-IBGZPJMESA-N 0 0 457.087 6.160 40 0 JKABRN C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCCCC3)cn2)C1 ZINC000224003589 569930081 /nfs/dbraw/zinc/93/00/81/569930081.db2.gz DGBHJBXVYSYXQU-WOJBJXKFSA-N 0 0 471.114 6.406 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C ZINC000224004448 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/nfs/dbraw/zinc/15/94/03/570159403.db2.gz GQZYKTXJZDSBBY-SFTDATJTSA-N 0 0 492.641 5.390 40 0 JKABRN COc1ccccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000409181828 570159466 /nfs/dbraw/zinc/15/94/66/570159466.db2.gz FWPYVVJJWCNLMB-VWLOTQADSA-N 0 0 451.906 5.235 40 0 JKABRN CC[C@H](OC(=O)c1ccc(C)c(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1)C(=O)c1ccccc1 ZINC000409181835 570159467 /nfs/dbraw/zinc/15/94/67/570159467.db2.gz FPYCCXSHZXTBQB-QFIPXVFZSA-N 0 0 496.346 5.921 40 0 JKABRN C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(C(C)(C)c3ccccc3)cc1)[C@@]2(O)C(F)(F)F ZINC000409181644 570159472 /nfs/dbraw/zinc/15/94/72/570159472.db2.gz FGPBTHAYZWSYAP-ZIYZLLSTSA-N 0 0 474.523 5.277 40 0 JKABRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000409181855 570159535 /nfs/dbraw/zinc/15/95/35/570159535.db2.gz FZRMCNBVXMKGOE-SANMLTNESA-N 0 0 495.918 5.922 40 0 JKABRN COc1cc(CNc2ccccc2Cl)cc(I)c1OCc1ccccc1 ZINC000409182088 570159599 /nfs/dbraw/zinc/15/95/99/570159599.db2.gz IAFFPLSCLROMSM-UHFFFAOYSA-N 0 0 479.745 6.144 40 0 JKABRN CCc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)cc1 ZINC000409182076 570159624 /nfs/dbraw/zinc/15/96/24/570159624.db2.gz HYGDOHUSRVSYJF-UHFFFAOYSA-N 0 0 482.319 5.396 40 0 JKABRN C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000260833356 570159621 /nfs/dbraw/zinc/15/96/21/570159621.db2.gz VJZYDLTUTSYFEE-HOCLYGCPSA-N 0 0 482.249 5.946 40 0 JKABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000260833361 570159657 /nfs/dbraw/zinc/15/96/57/570159657.db2.gz VJZYDLTUTSYFEE-ZBFHGGJFSA-N 0 0 482.249 5.946 40 0 JKABRN Clc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000409181974 570159654 /nfs/dbraw/zinc/15/96/54/570159654.db2.gz HECNNYYCZRAUNZ-UHFFFAOYSA-N 0 0 471.609 7.600 40 0 JKABRN Cc1cc(Br)cc(C)c1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl ZINC000409182081 570159662 /nfs/dbraw/zinc/15/96/62/570159662.db2.gz INGVGEAFMGKOSJ-UHFFFAOYSA-N 0 0 490.737 5.587 40 0 JKABRN COc1ccccc1OCc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000409182171 570159697 /nfs/dbraw/zinc/15/96/97/570159697.db2.gz ITQLXMMIRSIBRN-NDEPHWFRSA-N 0 0 486.951 6.709 40 0 JKABRN CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O ZINC000409182214 570159770 /nfs/dbraw/zinc/15/97/70/570159770.db2.gz JKFGFEBPEMXPFY-UCQKPKSFSA-N 0 0 495.000 6.265 40 0 JKABRN O=C(COC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1)c1ccccc1Cl ZINC000409182252 570159786 /nfs/dbraw/zinc/15/97/86/570159786.db2.gz JZNNBZUYTHXIEO-UHFFFAOYSA-N 0 0 488.710 5.487 40 0 JKABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1 ZINC000409182547 570159864 /nfs/dbraw/zinc/15/98/64/570159864.db2.gz MKVFUDONMRIIHI-BUVRLJJBSA-N 0 0 490.556 5.642 40 0 JKABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409182667 570159916 /nfs/dbraw/zinc/15/99/16/570159916.db2.gz MWRYDLJQDAZVNI-JAIQZWGSSA-N 0 0 474.966 5.121 40 0 JKABRN O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1ccc(Br)c2cccnc12 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481.615 7.056 40 0 JKABRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000409182860 570160110 /nfs/dbraw/zinc/16/01/10/570160110.db2.gz PFSGBGROOGHADC-XMMPIXPASA-N 0 0 456.325 5.880 40 0 JKABRN CCc1cccc(C)c1N(Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1)S(C)(=O)=O ZINC000260842674 570160193 /nfs/dbraw/zinc/16/01/93/570160193.db2.gz PROZFNQTIIJXMO-NRFANRHFSA-N 0 0 464.631 5.057 40 0 JKABRN CCCCc1ccc(N(Cc2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000260842734 570160248 /nfs/dbraw/zinc/16/02/48/570160248.db2.gz VSIMTPKAPUAUOS-QFIPXVFZSA-N 0 0 478.658 5.529 40 0 JKABRN CC(C)c1ccccc1N(Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1)S(C)(=O)=O ZINC000260842759 570160293 /nfs/dbraw/zinc/16/02/93/570160293.db2.gz ZDXDABPODODYPV-NRFANRHFSA-N 0 0 464.631 5.310 40 0 JKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409184407 570160349 /nfs/dbraw/zinc/16/03/49/570160349.db2.gz XVNCXTZTIDCTPA-ZGFXFUDXSA-N 0 0 488.993 5.509 40 0 JKABRN Cc1ccc(C(=O)COC(=O)c2ccc(C)c(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)cc1 ZINC000409184088 570160351 /nfs/dbraw/zinc/16/03/51/570160351.db2.gz WRAUIYSIMFOQMR-UHFFFAOYSA-N 0 0 482.319 5.451 40 0 JKABRN CCOC(=O)c1ccc(COC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 ZINC000409184140 570160370 /nfs/dbraw/zinc/16/03/70/570160370.db2.gz XCGGQUCLNUKTPW-UHFFFAOYSA-N 0 0 469.331 5.562 40 0 JKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409184403 570160382 /nfs/dbraw/zinc/16/03/82/570160382.db2.gz XVNCXTZTIDCTPA-SYZMQFJCSA-N 0 0 488.993 5.509 40 0 JKABRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)C(C)(C)C ZINC000409184111 570160390 /nfs/dbraw/zinc/16/03/90/570160390.db2.gz WVHGPCGMBDTHSB-UHFFFAOYSA-N 0 0 498.746 5.228 40 0 JKABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000260846136 570160444 /nfs/dbraw/zinc/16/04/44/570160444.db2.gz IPEPOKKHUQEEGN-CQSZACIVSA-N 0 0 472.950 5.041 40 0 JKABRN CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409184698 570160495 /nfs/dbraw/zinc/16/04/95/570160495.db2.gz ZFNHLUSJPRKCLW-UHFFFAOYSA-N 0 0 481.217 7.346 40 0 JKABRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl ZINC000409184696 570160516 /nfs/dbraw/zinc/16/05/16/570160516.db2.gz ZDQCSRIPWDGAOQ-DEOSSOPVSA-N 0 0 490.770 6.533 40 0 JKABRN CCC(=O)Nc1cc(OC)c(C(=O)O[C@H](C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1Cl ZINC000409184646 570160524 /nfs/dbraw/zinc/16/05/24/570160524.db2.gz YLYIVYHFXCEKOM-DEOSSOPVSA-N 0 0 486.351 6.132 40 0 JKABRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409184685 570160525 /nfs/dbraw/zinc/16/05/25/570160525.db2.gz ZNNDJXMGRLLCDA-XMMPIXPASA-N 0 0 490.770 6.533 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@H]2CCCO2)N1c1ccc(OC2CCCC2)cc1 ZINC000260851101 570160777 /nfs/dbraw/zinc/16/07/77/570160777.db2.gz FAQOTMGDRNVOLV-MVNQZMKCSA-N 0 0 488.657 5.561 40 0 JKABRN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)S1 ZINC000409187855 570160955 /nfs/dbraw/zinc/16/09/55/570160955.db2.gz VDFLIHHRUIVPJK-VIZOYTHASA-N 0 0 469.154 5.115 40 0 JKABRN Cc1c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409188308 570161057 /nfs/dbraw/zinc/16/10/57/570161057.db2.gz GEZGYYBUVFDWJZ-ZVHZXABRSA-N 0 0 476.960 7.031 40 0 JKABRN O=C1S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409188303 570161065 /nfs/dbraw/zinc/16/10/65/570161065.db2.gz GBUAIWBLZMCKCS-WOJGMQOQSA-N 0 0 460.736 6.603 40 0 JKABRN O=C1S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000409188450 570161100 /nfs/dbraw/zinc/16/11/00/570161100.db2.gz HPKXBZRJWOYGFY-YDZHTSKRSA-N 0 0 462.933 6.723 40 0 JKABRN COc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)C(=O)O2)c1 ZINC000409189641 570161454 /nfs/dbraw/zinc/16/14/54/570161454.db2.gz MCUQXXZYVRPLEX-JMIUGGIZSA-N 0 0 498.318 5.574 40 0 JKABRN COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)O2)c1 ZINC000409190154 570161608 /nfs/dbraw/zinc/16/16/08/570161608.db2.gz LOYIMOVPYCSTLW-ZHZULCJRSA-N 0 0 478.298 5.021 40 0 JKABRN O=C(Cn1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000409190873 570161818 /nfs/dbraw/zinc/16/18/18/570161818.db2.gz AEFBLTNRYPFKKI-OEAKJJBVSA-N 0 0 487.968 6.174 40 0 JKABRN CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000409190709 570161885 /nfs/dbraw/zinc/16/18/85/570161885.db2.gz VMWUSSAOYZQVDB-MHWRWJLKSA-N 0 0 485.730 5.584 40 0 JKABRN COc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409190765 570161898 /nfs/dbraw/zinc/16/18/98/570161898.db2.gz QQDMHOHMSJSNHA-RIYZIHGNSA-N 0 0 459.148 6.005 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N[C@H](C)C(C)C)cc1 ZINC000260892641 570162112 /nfs/dbraw/zinc/16/21/12/570162112.db2.gz BKSKTDLHKMBUEY-HXUWFJFHSA-N 0 0 485.049 5.818 40 0 JKABRN O=C1S/C(=C/c2ccccc2OCc2cccc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000409191484 570162146 /nfs/dbraw/zinc/16/21/46/570162146.db2.gz XAQSAYHJRLMKAW-PCLIKHOPSA-N 0 0 471.965 7.313 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 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CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328979219 570180356 /nfs/dbraw/zinc/18/03/56/570180356.db2.gz GFDBQEJZBJBCTB-LBPRGKRZSA-N 0 0 454.855 5.633 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328980394 570180456 /nfs/dbraw/zinc/18/04/56/570180456.db2.gz GMIWFGSBBRYURZ-UHFFFAOYSA-N 0 0 454.855 6.789 40 0 JKABRN Cc1cccc(COc2ccc(Br)cc2/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1 ZINC000409237689 570180482 /nfs/dbraw/zinc/18/04/82/570180482.db2.gz KXFSBFWEWGFLIK-OEAKJJBVSA-N 0 0 491.385 5.738 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)C1=O ZINC000409237734 570180495 /nfs/dbraw/zinc/18/04/95/570180495.db2.gz LHGKTHNEIFKYMK-WOJGMQOQSA-N 0 0 496.810 6.136 40 0 JKABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1F ZINC000328982384 570180516 /nfs/dbraw/zinc/18/05/16/570180516.db2.gz GZPOSAHDWIWJSM-UHFFFAOYSA-N 0 0 462.447 5.132 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccc4c(c3)OCO4)nc(NC3CCCCC3)n2)c1 ZINC000328983187 570180544 /nfs/dbraw/zinc/18/05/44/570180544.db2.gz HERRYHNFLAYKLY-UHFFFAOYSA-N 0 0 472.467 5.103 40 0 JKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)ccc1Cl ZINC000328984504 570180551 /nfs/dbraw/zinc/18/05/51/570180551.db2.gz HNQUBPMAXDWSIP-UHFFFAOYSA-N 0 0 476.930 7.492 40 0 JKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)ccc1C(C)C ZINC000328987031 570180606 /nfs/dbraw/zinc/18/06/06/570180606.db2.gz IACUBYXISDQOJO-UHFFFAOYSA-N 0 0 484.566 7.962 40 0 JKABRN FC(F)(F)c1cc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)ccc1Br ZINC000328986933 570180615 /nfs/dbraw/zinc/18/06/15/570180615.db2.gz HZHQJAZKWXSSLP-UHFFFAOYSA-N 0 0 455.322 5.467 40 0 JKABRN O=C1N/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000409238256 570180735 /nfs/dbraw/zinc/18/07/35/570180735.db2.gz MFWYELCCBPESOS-PCLIKHOPSA-N 0 0 468.940 6.165 40 0 JKABRN CCCCCC1CCC(c2ccc(C(=O)OC3CCC([C@H]4CC[C@H](CCC)CC4)CC3)cc2)CC1 ZINC000328989669 570180836 /nfs/dbraw/zinc/18/08/36/570180836.db2.gz ILENYPWJXPDJDM-OCYAECPRSA-N 0 0 480.777 9.863 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cccc(Br)c3)nc(NC3CCCC3)n2)c1 ZINC000328989179 570180847 /nfs/dbraw/zinc/18/08/47/570180847.db2.gz IJTRTNDBBFUFPD-UHFFFAOYSA-N 0 0 493.327 5.747 40 0 JKABRN CCNc1nc(Nc2ccc(C)cc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328989665 570180848 /nfs/dbraw/zinc/18/08/48/570180848.db2.gz ILCUHASWVXCNNI-UHFFFAOYSA-N 0 0 467.289 5.132 40 0 JKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000328993732 570180951 /nfs/dbraw/zinc/18/09/51/570180951.db2.gz JAOOLNAPXMPQHV-UHFFFAOYSA-N 0 0 484.400 6.567 40 0 JKABRN O=C1NC(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000409239049 570181032 /nfs/dbraw/zinc/18/10/32/570181032.db2.gz FVBCTYZTLSHSMT-SSDVNMTOSA-N 0 0 496.781 6.747 40 0 JKABRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000409239332 570181130 /nfs/dbraw/zinc/18/11/30/570181130.db2.gz PLCLNLJMDIVZFG-HMAPJEAMSA-N 0 0 452.000 7.036 40 0 JKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)ccc1F ZINC000329005829 570181188 /nfs/dbraw/zinc/18/11/88/570181188.db2.gz KZIVWLMQZVCAOK-UHFFFAOYSA-N 0 0 460.475 6.978 40 0 JKABRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2)cc1 ZINC000409239713 570181448 /nfs/dbraw/zinc/18/14/48/570181448.db2.gz DIALMLXRFLNFSE-JCMHNJIXSA-N 0 0 460.580 5.821 40 0 JKABRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 ZINC000409240113 570181486 /nfs/dbraw/zinc/18/14/86/570181486.db2.gz FPGIYKOFEHFRJF-RGVLZGJSSA-N 0 0 487.364 6.237 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](CO)C(C)C)n2)cc1F ZINC000329012595 570181646 /nfs/dbraw/zinc/18/16/46/570181646.db2.gz MKVFCKFNCMYQRA-HXUWFJFHSA-N 0 0 464.463 5.662 40 0 JKABRN Cc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](CO)C(C)C)n1 ZINC000329014794 570181660 /nfs/dbraw/zinc/18/16/60/570181660.db2.gz MYHYQIQUUKBDNN-HXUWFJFHSA-N 0 0 460.500 5.831 40 0 JKABRN O=C1N/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccccc1 ZINC000409240423 570181690 /nfs/dbraw/zinc/18/16/90/570181690.db2.gz KQWFNTJYSUNSCC-FYJGNVAPSA-N 0 0 453.325 5.665 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cc(Cl)cc(Cl)c3)nc(NC3CCCC3)n2)c1 ZINC000329013492 570181702 /nfs/dbraw/zinc/18/17/02/570181702.db2.gz MPWPAFVWRHXUHS-UHFFFAOYSA-N 0 0 483.321 6.291 40 0 JKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C1=O ZINC000409240354 570181698 /nfs/dbraw/zinc/18/16/98/570181698.db2.gz GTNPZXMWWKQMQZ-HYARGMPZSA-N 0 0 482.399 6.628 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1F ZINC000329017377 570181757 /nfs/dbraw/zinc/18/17/57/570181757.db2.gz NLHYTBABTSQZNO-UHFFFAOYSA-N 0 0 460.475 5.822 40 0 JKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c(Br)c1 ZINC000329016413 570181799 /nfs/dbraw/zinc/18/17/99/570181799.db2.gz NFYBJEKMMVLTCK-UHFFFAOYSA-N 0 0 491.355 6.257 40 0 JKABRN FC(F)(F)c1ccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)c(Br)c1 ZINC000329017412 570181830 /nfs/dbraw/zinc/18/18/30/570181830.db2.gz NLRWHVAREHNTLU-UHFFFAOYSA-N 0 0 455.322 5.467 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)c(Cl)c1 ZINC000329018325 570181944 /nfs/dbraw/zinc/18/19/44/570181944.db2.gz NPGQJCMIBBJDMT-UHFFFAOYSA-N 0 0 450.892 6.958 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000409241229 570181990 /nfs/dbraw/zinc/18/19/90/570181990.db2.gz SEAAKCYCAFGEGW-RQZCQDPDSA-N 0 0 474.171 6.182 40 0 JKABRN CC(C)(C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329022103 570182037 /nfs/dbraw/zinc/18/20/37/570182037.db2.gz OKEUSABXSVMOEU-UHFFFAOYSA-N 0 0 450.892 6.518 40 0 JKABRN FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(C3CC3)nc(Nc3cccc(Cl)c3)n1)C2 ZINC000329023516 570182060 /nfs/dbraw/zinc/18/20/60/570182060.db2.gz OULWBVICCTYCEB-UHFFFAOYSA-N 0 0 460.887 6.212 40 0 JKABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)C)n1 ZINC000329023403 570182066 /nfs/dbraw/zinc/18/20/66/570182066.db2.gz OSSTXYAQLLGOFT-UHFFFAOYSA-N 0 0 450.892 5.720 40 0 JKABRN Cc1ccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)cc2)cc1 ZINC000409241596 570182090 /nfs/dbraw/zinc/18/20/90/570182090.db2.gz KCKGCUOHUHAZPG-OEAKJJBVSA-N 0 0 492.984 5.902 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409241461 570182119 /nfs/dbraw/zinc/18/21/19/570182119.db2.gz XQSHYAQJWUWJQI-WSDLNYQXSA-N 0 0 480.923 5.468 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409241386 570182137 /nfs/dbraw/zinc/18/21/37/570182137.db2.gz SGNIMAMTEDNEDR-YDZHTSKRSA-N 0 0 476.960 5.637 40 0 JKABRN CCNc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329025762 570182246 /nfs/dbraw/zinc/18/22/46/570182246.db2.gz PIPYHTCJXFIAOG-UHFFFAOYSA-N 0 0 456.390 5.389 40 0 JKABRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1 ZINC000409241681 570182274 /nfs/dbraw/zinc/18/22/74/570182274.db2.gz LNSCAGQXEAJRCA-LPYMAVHISA-N 0 0 467.352 5.974 40 0 JKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)ccc1Cl ZINC000329030738 570182295 /nfs/dbraw/zinc/18/22/95/570182295.db2.gz QFMMNKQCMBNJMG-UHFFFAOYSA-N 0 0 462.903 7.102 40 0 JKABRN Cc1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329026699 570182319 /nfs/dbraw/zinc/18/23/19/570182319.db2.gz PORKQNHNGPNKJM-UHFFFAOYSA-N 0 0 460.475 6.978 40 0 JKABRN Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000409242015 570182392 /nfs/dbraw/zinc/18/23/92/570182392.db2.gz PQNJDYXMXQJXKY-YDZHTSKRSA-N 0 0 476.529 5.388 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cccc(Cl)c3Cl)nc(NC3CCCC3)n2)c1 ZINC000329034824 570182459 /nfs/dbraw/zinc/18/24/59/570182459.db2.gz RAKYTUOZFDPUSF-UHFFFAOYSA-N 0 0 483.321 6.291 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2c(F)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329033214 570182476 /nfs/dbraw/zinc/18/24/76/570182476.db2.gz QRLQWXAEWNXAJE-GFCCVEGCSA-N 0 0 454.855 5.633 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cc1C(F)(F)F ZINC000329033220 570182489 /nfs/dbraw/zinc/18/24/89/570182489.db2.gz QRMHXPYJHZWTMR-UHFFFAOYSA-N 0 0 468.401 5.531 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000409242410 570182525 /nfs/dbraw/zinc/18/25/25/570182525.db2.gz USAKISPFTMSAAK-DDLUMYACSA-N 0 0 487.394 5.426 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409242655 570182582 /nfs/dbraw/zinc/18/25/82/570182582.db2.gz SBEUDGDNBXBXEJ-SFHVURJKSA-N 0 0 456.995 5.259 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccc(C(F)(F)F)cc3)nc(NC3CCCCC3)n2)c1 ZINC000329038684 570182645 /nfs/dbraw/zinc/18/26/45/570182645.db2.gz RUQOBCJZXUGFSH-UHFFFAOYSA-N 0 0 496.455 7.549 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccccc3Br)nc(NC3CCCC3)n2)c1 ZINC000329035445 570182646 /nfs/dbraw/zinc/18/26/46/570182646.db2.gz REWRARQBYGPMAO-UHFFFAOYSA-N 0 0 493.327 5.747 40 0 JKABRN Fc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1 ZINC000329038685 570182667 /nfs/dbraw/zinc/18/26/67/570182667.db2.gz RUSYQZNCUJVADM-UHFFFAOYSA-N 0 0 460.475 5.382 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329038160 570182675 /nfs/dbraw/zinc/18/26/75/570182675.db2.gz RROYVHKVEVWUCD-LBPRGKRZSA-N 0 0 455.406 5.374 40 0 JKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329037186 570182680 /nfs/dbraw/zinc/18/26/80/570182680.db2.gz RNBZHMDODDHISV-UHFFFAOYSA-N 0 0 476.930 6.254 40 0 JKABRN CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000409242749 570182685 /nfs/dbraw/zinc/18/26/85/570182685.db2.gz YCYOWZJBZYUZPO-FYJGNVAPSA-N 0 0 466.946 5.567 40 0 JKABRN CC[C@@H](C)n1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c2ccccc21 ZINC000409242727 570182688 /nfs/dbraw/zinc/18/26/88/570182688.db2.gz XYSNNWDEXXXORV-UGVMZYNRSA-N 0 0 451.523 5.426 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O)Nc1cccc(F)c1 ZINC000409242774 570182727 /nfs/dbraw/zinc/18/27/27/570182727.db2.gz SZBQORGRUQLJGB-VXLYETTFSA-N 0 0 491.327 6.068 40 0 JKABRN Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1Cl ZINC000409242801 570182761 /nfs/dbraw/zinc/18/27/61/570182761.db2.gz VVBREICPWJUOCZ-GOSISDBHSA-N 0 0 456.995 5.259 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329041259 570182769 /nfs/dbraw/zinc/18/27/69/570182769.db2.gz SHJFRTUQLVWKQJ-UHFFFAOYSA-N 0 0 487.526 5.833 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1C(F)(F)F ZINC000329042529 570182785 /nfs/dbraw/zinc/18/27/85/570182785.db2.gz SNCZUPWEYBRACL-UHFFFAOYSA-N 0 0 496.455 6.311 40 0 JKABRN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000409243102 570182866 /nfs/dbraw/zinc/18/28/66/570182866.db2.gz VNOHKKJLZJWMMH-FQEVSTJZSA-N 0 0 466.603 5.086 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329050074 570182988 /nfs/dbraw/zinc/18/29/88/570182988.db2.gz USRJWLSGJMLBAI-CYBMUJFWSA-N 0 0 470.417 5.859 40 0 JKABRN CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329047850 570183039 /nfs/dbraw/zinc/18/30/39/570183039.db2.gz UHUMHDKQUDSPHV-FQEVSTJZSA-N 0 0 480.918 5.737 40 0 JKABRN 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ZINC000408548188 570194145 /nfs/dbraw/zinc/19/41/45/570194145.db2.gz QICSIOTWNVKALY-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN Cc1ccc(SCc2ccc(C(=O)NCCSCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408548451 570194232 /nfs/dbraw/zinc/19/42/32/570194232.db2.gz RVROBEQBLIIDQA-UHFFFAOYSA-N 0 0 476.494 7.257 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408550022 570194835 /nfs/dbraw/zinc/19/48/35/570194835.db2.gz ARJBZTZLMWBZSK-UHFFFAOYSA-N 0 0 485.776 5.709 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1NC(=O)c1cccc(Cl)c1 ZINC000408550724 570194978 /nfs/dbraw/zinc/19/49/78/570194978.db2.gz GXFBSRBTGZQGBB-UHFFFAOYSA-N 0 0 495.782 5.164 40 0 JKABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1NC(=O)c1ccccc1 ZINC000408550684 570194993 /nfs/dbraw/zinc/19/49/93/570194993.db2.gz GHBMUCUGWGDJBN-UHFFFAOYSA-N 0 0 486.593 5.339 40 0 JKABRN COc1cc(C(=O)Nc2ccc(F)cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000408551122 570195094 /nfs/dbraw/zinc/19/50/94/570195094.db2.gz BPLDGPDQSUUEKU-UHFFFAOYSA-N 0 0 491.300 5.579 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000408551058 570195108 /nfs/dbraw/zinc/19/51/08/570195108.db2.gz JGGUZIOTWVVXAG-UHFFFAOYSA-N 0 0 485.776 5.709 40 0 JKABRN Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408551254 570195120 /nfs/dbraw/zinc/19/51/20/570195120.db2.gz GYNTZOVUJWVYQH-UHFFFAOYSA-N 0 0 478.492 5.141 40 0 JKABRN COc1cc(C(=O)Nc2cccc(I)c2)ccc1OCc1ccc(C)cc1 ZINC000408551358 570195215 /nfs/dbraw/zinc/19/52/15/570195215.db2.gz CHJLMQPVZSVYKJ-UHFFFAOYSA-N 0 0 473.310 5.440 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000408551378 570195227 /nfs/dbraw/zinc/19/52/27/570195227.db2.gz HMWDPCSHEORXLH-UHFFFAOYSA-N 0 0 463.386 5.186 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408551376 570195240 /nfs/dbraw/zinc/19/52/40/570195240.db2.gz HMEZTHARMJMUJI-NSHDSACASA-N 0 0 457.766 5.106 40 0 JKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 ZINC000408551653 570195264 /nfs/dbraw/zinc/19/52/64/570195264.db2.gz LTARQPARDVPYKB-UHFFFAOYSA-N 0 0 456.539 5.012 40 0 JKABRN CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552220 570195380 /nfs/dbraw/zinc/19/53/80/570195380.db2.gz IDDHRLSRXQBEBU-UHFFFAOYSA-N 0 0 464.776 7.185 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)cc1C ZINC000408551918 570195388 /nfs/dbraw/zinc/19/53/88/570195388.db2.gz JRLAZQZWASHAIK-UHFFFAOYSA-N 0 0 466.603 5.554 40 0 JKABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 ZINC000408552744 570195656 /nfs/dbraw/zinc/19/56/56/570195656.db2.gz NLNZBFRVXPPOHE-OAHLLOKOSA-N 0 0 479.385 5.050 40 0 JKABRN COc1cc(C(=O)Nc2cccc3ccccc32)cc(Br)c1OCc1ccc(C)cc1 ZINC000408553272 570195773 /nfs/dbraw/zinc/19/57/73/570195773.db2.gz NJOMFZUORRVOEL-UHFFFAOYSA-N 0 0 476.370 6.751 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O)N1CCCC1 ZINC000408553108 570195786 /nfs/dbraw/zinc/19/57/86/570195786.db2.gz 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ZINC000408553560 570195909 /nfs/dbraw/zinc/19/59/09/570195909.db2.gz AHJQGQUMAUGMPO-XMMPIXPASA-N 0 0 457.954 6.235 40 0 JKABRN CCOc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408553615 570195911 /nfs/dbraw/zinc/19/59/11/570195911.db2.gz OPJFROVRJNRMPJ-UHFFFAOYSA-N 0 0 473.352 6.319 40 0 JKABRN O=C(COc1ccc(Cl)cc1/C=C1\C(=O)Nc2ccccc21)Nc1ccc(Cl)c(Cl)c1 ZINC000408553769 570195978 /nfs/dbraw/zinc/19/59/78/570195978.db2.gz PLMOFDHAUNPJLY-YVLHZVERSA-N 0 0 473.743 6.157 40 0 JKABRN Fc1ccc(COc2ccc3ccccc3c2CNc2ccc(Br)c(Cl)c2)cc1 ZINC000408553787 570195987 /nfs/dbraw/zinc/19/59/87/570195987.db2.gz BWMFYTBEBCUCII-UHFFFAOYSA-N 0 0 470.769 7.586 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(SC)c1)c1ccc(Cl)cc1 ZINC000408553783 570196002 /nfs/dbraw/zinc/19/60/02/570196002.db2.gz BECZKZQMLVAGLE-UHFFFAOYSA-N 0 0 491.034 5.213 40 0 JKABRN O=C1CS[C@H](c2cccc(OCc3ccc(Br)cc3)c2)N1c1ccc(Cl)cc1 ZINC000408553761 570196015 /nfs/dbraw/zinc/19/60/15/570196015.db2.gz BQFUNDLCZJTJNH-JOCHJYFZSA-N 0 0 474.807 6.460 40 0 JKABRN O=C1CS[C@H](c2c(OCc3ccc(F)cc3)ccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000408554196 570196072 /nfs/dbraw/zinc/19/60/72/570196072.db2.gz CGSZXCVOSMUNDL-AREMUKBSSA-N 0 0 463.961 6.990 40 0 JKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000408553987 570196079 /nfs/dbraw/zinc/19/60/79/570196079.db2.gz XXMWUKDSYNLDKA-UHFFFAOYSA-N 0 0 472.994 5.527 40 0 JKABRN COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccccc1F ZINC000408554183 570196097 /nfs/dbraw/zinc/19/60/97/570196097.db2.gz BUGNXYYAXPALMN-UHFFFAOYSA-N 0 0 450.735 6.441 40 0 JKABRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1OC ZINC000408554168 570196126 /nfs/dbraw/zinc/19/61/26/570196126.db2.gz CBFIQYNUTLMFTK-UHFFFAOYSA-N 0 0 496.570 5.727 40 0 JKABRN O=C1CS[C@@H](c2c(OCc3ccc(F)cc3)ccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000408554200 570196129 /nfs/dbraw/zinc/19/61/29/570196129.db2.gz CGSZXCVOSMUNDL-SANMLTNESA-N 0 0 463.961 6.990 40 0 JKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1Cl ZINC000408554406 570196221 /nfs/dbraw/zinc/19/62/21/570196221.db2.gz DUCKJAGHLVCTSB-UHFFFAOYSA-N 0 0 484.210 7.238 40 0 JKABRN O=C1CS[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1c1ccc(Cl)cc1 ZINC000408554465 570196296 /nfs/dbraw/zinc/19/62/96/570196296.db2.gz CVWBHVXZSBOXKB-JOCHJYFZSA-N 0 0 464.801 7.004 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1NC(=O)c1ccccc1F ZINC000408554555 570196329 /nfs/dbraw/zinc/19/63/29/570196329.db2.gz BYTQIQDDPDOKCT-UHFFFAOYSA-N 0 0 462.930 5.239 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccccc1 ZINC000408554579 570196348 /nfs/dbraw/zinc/19/63/48/570196348.db2.gz CJSGRBDWZMUDGW-UHFFFAOYSA-N 0 0 465.358 5.445 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccc(C)cc1 ZINC000408554554 570196366 /nfs/dbraw/zinc/19/63/66/570196366.db2.gz BYQNNIOOQUXPMO-UHFFFAOYSA-N 0 0 465.358 5.364 40 0 JKABRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1OCc1ccccc1F ZINC000408554766 570196422 /nfs/dbraw/zinc/19/64/22/570196422.db2.gz DEWJNFXSZZFVAT-UHFFFAOYSA-N 0 0 499.207 7.485 40 0 JKABRN CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1F ZINC000408554953 570196552 /nfs/dbraw/zinc/19/65/52/570196552.db2.gz GMKTZTUQRZLAPP-UHFFFAOYSA-N 0 0 486.543 6.646 40 0 JKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Br)c2)cc1 ZINC000408554997 570196564 /nfs/dbraw/zinc/19/65/64/570196564.db2.gz GQSLJQPTKUZBCV-UHFFFAOYSA-N 0 0 469.379 5.650 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1Cl ZINC000408554882 570196566 /nfs/dbraw/zinc/19/65/66/570196566.db2.gz VESDOKZZJWMDBZ-UHFFFAOYSA-N 0 0 488.993 5.092 40 0 JKABRN O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Br)Nc1ccccc1F ZINC000408555060 570196591 /nfs/dbraw/zinc/19/65/91/570196591.db2.gz GYSAHTBBNJKRGR-UHFFFAOYSA-N 0 0 463.734 5.871 40 0 JKABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000408554902 570196636 /nfs/dbraw/zinc/19/66/36/570196636.db2.gz DXGBIZIOQHKZTE-UHFFFAOYSA-N 0 0 488.993 5.228 40 0 JKABRN Cc1ccc(Cl)cc1NCc1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1 ZINC000408555078 570196759 /nfs/dbraw/zinc/19/67/59/570196759.db2.gz GZYUNABVQUFENB-UHFFFAOYSA-N 0 0 477.761 6.180 40 0 JKABRN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000408555635 570196933 /nfs/dbraw/zinc/19/69/33/570196933.db2.gz GRDSPAGRTGMWDN-UHFFFAOYSA-N 0 0 487.767 5.620 40 0 JKABRN CCOc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000408555730 570196979 /nfs/dbraw/zinc/19/69/79/570196979.db2.gz ICYFLOVRDMANDU-UHFFFAOYSA-N 0 0 473.956 7.362 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1NC(=O)c1ccccc1C ZINC000408555779 570197048 /nfs/dbraw/zinc/19/70/48/570197048.db2.gz GGQBNVQJYMLWJZ-UHFFFAOYSA-N 0 0 499.803 6.017 40 0 JKABRN Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408555944 570197063 /nfs/dbraw/zinc/19/70/63/570197063.db2.gz XYDRHZFKHNWMSL-UHFFFAOYSA-N 0 0 478.492 5.141 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408555880 570197076 /nfs/dbraw/zinc/19/70/76/570197076.db2.gz ZICNGPNJHYJYTC-UHFFFAOYSA-N 0 0 474.782 6.641 40 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570206834 /nfs/dbraw/zinc/20/68/34/570206834.db2.gz USTCTPRGCYERJM-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)Cc2ccccc2)cc1Cl ZINC000408581969 570206850 /nfs/dbraw/zinc/20/68/50/570206850.db2.gz BFUKZISHPPSZMV-UHFFFAOYSA-N 0 0 487.021 5.103 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccc(Cl)cc2C)cc1 ZINC000408581897 570206859 /nfs/dbraw/zinc/20/68/59/570206859.db2.gz VBROPHVAQMDSOQ-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN CCCCc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3)cc3cc(Cl)ccc32)cc1 ZINC000408582199 570206896 /nfs/dbraw/zinc/20/68/96/570206896.db2.gz VWCXPVFQBDZLPG-UHFFFAOYSA-N 0 0 488.975 5.598 40 0 JKABRN COc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000408582300 570206946 /nfs/dbraw/zinc/20/69/46/570206946.db2.gz MUGIIXHURLGQPU-UHFFFAOYSA-N 0 0 498.324 5.664 40 0 JKABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)n1 ZINC000408582428 570206958 /nfs/dbraw/zinc/20/69/58/570206958.db2.gz OCLDRSRFZKCOBL-UHFFFAOYSA-N 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OJTLPFPXHYHXIW-UHFFFAOYSA-N 0 0 486.593 5.080 40 0 JKABRN CCSc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 ZINC000408584493 570207560 /nfs/dbraw/zinc/20/75/60/570207560.db2.gz QNMWOROLQRBSBG-UHFFFAOYSA-N 0 0 451.187 5.843 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(Cl)c2)cc1 ZINC000408584524 570207616 /nfs/dbraw/zinc/20/76/16/570207616.db2.gz QUUOYIDALYSEIX-UHFFFAOYSA-N 0 0 499.803 5.774 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)Cc2ccccc2)cc1Cl ZINC000408584941 570207789 /nfs/dbraw/zinc/20/77/89/570207789.db2.gz WXNMZNRPIVRYFN-UHFFFAOYSA-N 0 0 487.021 5.302 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408584970 570207859 /nfs/dbraw/zinc/20/78/59/570207859.db2.gz XGIPBNNXDIYSGA-UHFFFAOYSA-N 0 0 465.358 5.120 40 0 JKABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000408585284 570207914 /nfs/dbraw/zinc/20/79/14/570207914.db2.gz YMBUDZTWYZLWFK-LJAQVGFWSA-N 0 0 498.648 5.114 40 0 JKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408585484 570207979 /nfs/dbraw/zinc/20/79/79/570207979.db2.gz FSUHKQMWTDFDLW-UHFFFAOYSA-N 0 0 451.147 6.587 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)Cc2ccccc2)cc1 ZINC000408585800 570208023 /nfs/dbraw/zinc/20/80/23/570208023.db2.gz IVOCAEAQUKVDID-UHFFFAOYSA-N 0 0 450.604 5.256 40 0 JKABRN COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccccc1F ZINC000408585681 570208031 /nfs/dbraw/zinc/20/80/31/570208031.db2.gz IBBOZXQLALYRTP-UHFFFAOYSA-N 0 0 490.556 5.155 40 0 JKABRN CCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC(=O)c1cccc(Cl)c1 ZINC000408585951 570208050 /nfs/dbraw/zinc/20/80/50/570208050.db2.gz LPBGUTCPLOVQOH-UHFFFAOYSA-N 0 0 470.978 5.133 40 0 JKABRN CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000408586189 570208059 /nfs/dbraw/zinc/20/80/59/570208059.db2.gz APZFFNMPPITTKD-UHFFFAOYSA-N 0 0 458.967 5.029 40 0 JKABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1ccc(F)cc1 ZINC000408586149 570208082 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CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(CC)nn2c1CSc1ccc(Cl)cc1 ZINC000020797742 195226378 /nfs/dbraw/zinc/22/63/78/195226378.db2.gz RADKUFNMTAGKIJ-UHFFFAOYSA-N 0 0 487.412 6.130 40 0 JKABRN CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(CC)nn2c1CSc1ccc(Cl)cc1 ZINC000020797745 195226414 /nfs/dbraw/zinc/22/64/14/195226414.db2.gz DNVYBHBIRLCWJC-UHFFFAOYSA-N 0 0 470.957 5.615 40 0 JKABRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(Br)c2)cc1 ZINC000020970277 195257595 /nfs/dbraw/zinc/25/75/95/195257595.db2.gz DRHQLRSGTLERSC-HSZRJFAPSA-N 0 0 489.373 5.735 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000020970202 195257725 /nfs/dbraw/zinc/25/77/25/195257725.db2.gz QCVVSLYMAIUJFU-RUZDIDTESA-N 0 0 468.557 5.544 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020970168 195257759 /nfs/dbraw/zinc/25/77/59/195257759.db2.gz ABBIMNHIOFQIGZ-DEOSSOPVSA-N 0 0 477.395 6.833 40 0 JKABRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(Br)c2)cc1 ZINC000020970281 195257771 /nfs/dbraw/zinc/25/77/71/195257771.db2.gz DRHQLRSGTLERSC-QHCPKHFHSA-N 0 0 489.373 5.735 40 0 JKABRN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000020970337 195257821 /nfs/dbraw/zinc/25/78/21/195257821.db2.gz QNGMXYOAQCSDIG-DEOSSOPVSA-N 0 0 458.949 6.016 40 0 JKABRN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2OC)cc1 ZINC000020970381 195257833 /nfs/dbraw/zinc/25/78/33/195257833.db2.gz SJUNOWFSXYGMLS-RUZDIDTESA-N 0 0 454.530 5.371 40 0 JKABRN CCN1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)CC1 ZINC000020970646 195258019 /nfs/dbraw/zinc/25/80/19/195258019.db2.gz PTRRHNRAVAJFFK-ZRDIBKRKSA-N 0 0 484.427 6.356 40 0 JKABRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970469 195258051 /nfs/dbraw/zinc/25/80/51/195258051.db2.gz XQXGMQKEZZODNB-RUZDIDTESA-N 0 0 454.530 5.371 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(C(C)C)cc2)n2c3ccccc3nc2N1 ZINC000021005503 195265805 /nfs/dbraw/zinc/26/58/05/195265805.db2.gz 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/nfs/dbraw/zinc/29/36/93/195293693.db2.gz QLPASXCUCHIEPS-OAHLLOKOSA-N 0 0 479.385 5.509 40 0 JKABRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1c(F)cc(Br)cc1Br ZINC000021303475 195293793 /nfs/dbraw/zinc/29/37/93/195293793.db2.gz BOANAQBFGDOGHH-JTQLQIEISA-N 0 0 457.137 5.245 40 0 JKABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000021306129 195293812 /nfs/dbraw/zinc/29/38/12/195293812.db2.gz BPWSYPWDUBVMIU-MRXNPFEDSA-N 0 0 493.412 5.817 40 0 JKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000021306236 195293995 /nfs/dbraw/zinc/29/39/95/195293995.db2.gz ZAGMSPVHCRBVOR-JOCHJYFZSA-N 0 0 493.412 5.899 40 0 JKABRN CC(=O)c1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)C(=O)CCC1 ZINC000057447965 195342376 /nfs/dbraw/zinc/34/23/76/195342376.db2.gz CDCFFVBZBHGLND-UHFFFAOYSA-N 0 0 450.582 6.065 40 0 JKABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584901 195350936 /nfs/dbraw/zinc/35/09/36/195350936.db2.gz VCZHEPUSQZWFJA-AREMUKBSSA-N 0 0 470.621 5.248 40 0 JKABRN Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1C ZINC000057589919 195351766 /nfs/dbraw/zinc/35/17/66/195351766.db2.gz DCFAURWJGVJPFI-MHZLTWQESA-N 0 0 498.606 5.264 40 0 JKABRN Cc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1C ZINC000057589920 195351862 /nfs/dbraw/zinc/35/18/62/195351862.db2.gz DCFAURWJGVJPFI-HHHXNRCGSA-N 0 0 498.606 5.264 40 0 JKABRN Fc1ccc(C2=CCN([C@@H](c3nnnn3Cc3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000057613860 195353545 /nfs/dbraw/zinc/35/35/45/195353545.db2.gz QCQGISQRRBMJJS-RUZDIDTESA-N 0 0 459.956 5.393 40 0 aggregator JKABRN Fc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000057613858 195353602 /nfs/dbraw/zinc/35/36/02/195353602.db2.gz JNHCHGLCARFEEX-RUZDIDTESA-N 0 0 461.491 5.017 40 0 JKABRN Fc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000057613859 195353628 /nfs/dbraw/zinc/35/36/28/195353628.db2.gz JNHCHGLCARFEEX-VWLOTQADSA-N 0 0 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40 0 JKABRN COc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000059186517 195394053 /nfs/dbraw/zinc/39/40/53/195394053.db2.gz GOMMXGVUBKRKAZ-MTJSOVHGSA-N 0 0 483.376 5.351 40 0 JKABRN CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000059195139 195394298 /nfs/dbraw/zinc/39/42/98/195394298.db2.gz OFSZMNJDPBJJLE-NDENLUEZSA-N 0 0 482.319 5.956 40 0 JKABRN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000059195364 195394494 /nfs/dbraw/zinc/39/44/94/195394494.db2.gz OQIZPGSRTQVUMT-UNOMPAQXSA-N 0 0 468.292 5.566 40 0 JKABRN O=C(Oc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000059195202 195394631 /nfs/dbraw/zinc/39/46/31/195394631.db2.gz AJBSEDLPELTGEY-JMIUGGIZSA-N 0 0 456.256 5.696 40 0 JKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000059201219 195395161 /nfs/dbraw/zinc/39/51/61/195395161.db2.gz JTBDYRSHSZVOOZ-LBXNZEFCSA-N 0 0 470.782 8.940 40 0 JKABRN COC(=O)C1C(c2ccc(Cl)cc2)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 ZINC000059227901 195395317 /nfs/dbraw/zinc/39/53/17/195395317.db2.gz UIEFRKJKPRABRR-RUZDIDTESA-N 0 0 486.959 5.418 40 0 JKABRN CCOc1cc([C@@H]2NC(=S)N=C(c3ccccc3)C2C(=O)OC)ccc1OCc1cccc(C)c1 ZINC000059227838 195395361 /nfs/dbraw/zinc/39/53/61/195395361.db2.gz GABLEWJWWDQOTG-SANMLTNESA-N 0 0 488.609 5.076 40 0 JKABRN COC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000059227813 195395420 /nfs/dbraw/zinc/39/54/20/195395420.db2.gz DGUSCWOBCHGNMP-XMMPIXPASA-N 0 0 495.000 5.031 40 0 JKABRN Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1Br ZINC000059267626 195396626 /nfs/dbraw/zinc/39/66/26/195396626.db2.gz YPRIOQMBLJBTCE-UHFFFAOYSA-N 0 0 473.179 5.845 40 0 JKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000059294029 195396753 /nfs/dbraw/zinc/39/67/53/195396753.db2.gz JMKLJHYZOFEZBP-FYWRMAATSA-N 0 0 479.565 5.515 40 0 JKABRN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc2nsnc2c1 ZINC000059294046 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SPRMOUDIWWQNRN-UHFFFAOYSA-N 0 0 478.342 6.019 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3)nc2c1 ZINC000059294417 195397017 /nfs/dbraw/zinc/39/70/17/195397017.db2.gz MIKWUBQLTZSEJB-HXUWFJFHSA-N 0 0 484.640 8.102 40 0 JKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000059345956 195397759 /nfs/dbraw/zinc/39/77/59/195397759.db2.gz ZKQRWXPORTYWFI-UHFFFAOYSA-N 0 0 451.419 5.928 40 0 JKABRN O=C(c1ccccc1O)N1[C@H](c2ccccc2)Oc2c(ccc3cccnc32)[C@@H]1c1ccccc1 ZINC000059382530 195398333 /nfs/dbraw/zinc/39/83/33/195398333.db2.gz VUMPVVNIYMXIOY-FIBWVYCGSA-N 0 0 458.517 6.263 40 0 JKABRN Clc1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 ZINC000059409087 195399062 /nfs/dbraw/zinc/39/90/62/195399062.db2.gz GVCHQLRPISIHOG-NRFANRHFSA-N 0 0 459.796 6.378 40 0 JKABRN S=C1SC(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccccc21 ZINC000059416332 195399285 /nfs/dbraw/zinc/39/92/85/195399285.db2.gz XCOHUCDYIFRNQZ-UHFFFAOYSA-N 0 0 476.258 6.926 40 0 JKABRN 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Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1C ZINC000022540007 524329220 /nfs/dbraw/zinc/32/92/20/524329220.db2.gz HXVLXONZCQXRNW-QZTJIDSGSA-N 0 0 483.461 5.197 40 0 JKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1C ZINC000022606119 524329315 /nfs/dbraw/zinc/32/93/15/524329315.db2.gz LVFAWGJSTIVSGR-LEWJYISDSA-N 0 0 462.615 5.243 40 0 JKABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000022539543 524329572 /nfs/dbraw/zinc/32/95/72/524329572.db2.gz HYSNCGRRMPSIFO-NLFFAJNJSA-N 0 0 485.049 5.032 40 0 JKABRN Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1C ZINC000022537646 524329618 /nfs/dbraw/zinc/32/96/18/524329618.db2.gz STTFUJUCAOHUBL-DHIUTWEWSA-N 0 0 478.658 5.461 40 0 JKABRN Cc1cc(C)c([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000022535522 524331406 /nfs/dbraw/zinc/33/14/06/524331406.db2.gz LTKHAZRWJWKCMQ-NRFANRHFSA-N 0 0 485.049 5.334 40 0 JKABRN Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1C ZINC000022540054 524333127 /nfs/dbraw/zinc/33/31/27/524333127.db2.gz JBAJBMRYGLBCNR-URXFXBBRSA-N 0 0 464.631 5.043 40 0 JKABRN Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1C ZINC000022540016 524333705 /nfs/dbraw/zinc/33/37/05/524333705.db2.gz HXVLXONZCQXRNW-ROUUACIJSA-N 0 0 483.461 5.197 40 0 JKABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000044885999 524363526 /nfs/dbraw/zinc/36/35/26/524363526.db2.gz BJOAOFFUVFIYNY-UHFFFAOYSA-N 0 0 471.022 5.119 40 0 JKABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431828 524364699 /nfs/dbraw/zinc/36/46/99/524364699.db2.gz LYAIMSHPNOOPJP-UHFFFAOYSA-N 0 0 471.022 5.119 40 0 JKABRN Cc1ccc(CN(C)C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000044902790 524381817 /nfs/dbraw/zinc/38/18/17/524381817.db2.gz AGMXRUYQBANVTR-AREMUKBSSA-N 0 0 465.018 5.695 40 0 JKABRN Cc1ccc(CN(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022535784 524402596 /nfs/dbraw/zinc/40/25/96/524402596.db2.gz KFFQBFBBOLWZRN-QFIPXVFZSA-N 0 0 499.076 5.642 40 0 JKABRN COc1ccccc1CN(C)C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000030849991 524434874 /nfs/dbraw/zinc/43/48/74/524434874.db2.gz HKZQOSCVFYHFGW-SANMLTNESA-N 0 0 481.017 5.395 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536929 524438324 /nfs/dbraw/zinc/43/83/24/524438324.db2.gz OYBPWFKTQJGJSS-QFIPXVFZSA-N 0 0 480.630 5.286 40 0 JKABRN Cc1cccc(N(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)c1 ZINC000035291621 524509247 /nfs/dbraw/zinc/50/92/47/524509247.db2.gz GQXCLXJKIGOJNT-MHZLTWQESA-N 0 0 483.637 6.442 40 0 JKABRN Cc1cccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)c1C ZINC000022529087 524522909 /nfs/dbraw/zinc/52/29/09/524522909.db2.gz DCSIHOKLGWDENI-UHFFFAOYSA-N 0 0 492.641 5.237 40 0 JKABRN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCCCOc3ccccc3)CC2=O)c1 ZINC000027789065 524566997 /nfs/dbraw/zinc/56/69/97/524566997.db2.gz BYOWXPHNLBLVGR-HSZRJFAPSA-N 0 0 453.586 6.115 40 0 JKABRN COc1ccccc1NC(=O)c1c(-c2ccc(C)c(C)c2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000027299822 524624151 /nfs/dbraw/zinc/62/41/51/524624151.db2.gz WKFDMMZVPFPZFG-UHFFFAOYSA-N 0 0 489.619 7.289 40 0 JKABRN C[C@@H]1CC[C@@]23CC[C@]4(C)[C@@](C=C[C@H]5[C@@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]54C)(OC2=O)[C@@H]3[C@H]1C ZINC000067902771 524626406 /nfs/dbraw/zinc/62/64/06/524626406.db2.gz UVBLDLGZDSGCSN-RUOWOPRNSA-N 0 0 454.695 6.540 40 0 biogenic,in-vitro JKABRN COc1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4cc(C)ccc4OC)ccc3s2)cc1 ZINC000020448305 524629951 /nfs/dbraw/zinc/62/99/51/524629951.db2.gz WCHRKSUAURKNRZ-UHFFFAOYSA-N 0 0 496.610 5.304 40 0 JKABRN COc1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)c(OC)c1 ZINC000039852312 524630740 /nfs/dbraw/zinc/63/07/40/524630740.db2.gz IFLWDYFBTYGXAF-UHFFFAOYSA-N 0 0 473.476 5.889 40 0 JKABRN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1Cl ZINC000020454672 524637279 /nfs/dbraw/zinc/63/72/79/524637279.db2.gz XSJFXVJRAKZZSS-UHFFFAOYSA-N 0 0 451.331 5.055 40 0 JKABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000020448620 524638766 /nfs/dbraw/zinc/63/87/66/524638766.db2.gz MJVPWFZVAKYQFL-AWEZNQCLSA-N 0 0 491.396 5.394 40 0 JKABRN COc1ccc(NCc2nn(CC(=O)Nc3ccc(Cl)cc3)c(=S)n2-c2ccccc2)cc1 ZINC000016769734 524682149 /nfs/dbraw/zinc/68/21/49/524682149.db2.gz WHWIQJDBCYOKDR-UHFFFAOYSA-N 0 0 479.993 5.316 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)c1 ZINC000020459345 524692217 /nfs/dbraw/zinc/69/22/17/524692217.db2.gz CMRYTNDNFVPILJ-IBGZPJMESA-N 0 0 452.576 5.325 40 0 JKABRN COc1ccccc1Oc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 ZINC000044803126 524696688 /nfs/dbraw/zinc/69/66/88/524696688.db2.gz XXODFYURFRYAGO-UHFFFAOYSA-N 0 0 490.556 5.395 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449535 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HMTYDNBMLRCONI-RUZDIDTESA-N 0 0 485.049 5.747 40 0 JKABRN Cc1ccc(N(Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)S(C)(=O)=O)cc1C ZINC000044904136 524900047 /nfs/dbraw/zinc/90/00/47/524900047.db2.gz FVQKEHYPDSPCIE-SANMLTNESA-N 0 0 462.615 5.077 40 0 JKABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@@H]3C2=O)c(C)c1 ZINC000013776940 524929147 /nfs/dbraw/zinc/92/91/47/524929147.db2.gz HBQJJBSTVTVRNC-VABKMULXSA-N 0 0 477.358 5.117 40 0 JKABRN C[C@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000020460192 524946653 /nfs/dbraw/zinc/94/66/53/524946653.db2.gz FRVZAMZCOPAEQZ-HNNXBMFYSA-N 0 0 481.376 5.205 40 0 JKABRN COc1ccc(OCCCOc2ccc(/C=C3/N=C(c4cccc(C)c4)OC3=O)cc2OC)cc1 ZINC000041108846 524949641 /nfs/dbraw/zinc/94/96/41/524949641.db2.gz NKNGQUQTMKYAMM-JJIBRWJFSA-N 0 0 473.525 5.205 40 0 JKABRN C[C@H]1Cc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449549 524979571 /nfs/dbraw/zinc/97/95/71/524979571.db2.gz QTQWMESLJCOZLF-ZDUSSCGKSA-N 0 0 479.360 5.525 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4ccc(C)c(C)c4)cc3c2)cc1C ZINC000020448001 525005661 /nfs/dbraw/zinc/00/56/61/525005661.db2.gz JSGQWFIXPJAMQB-UHFFFAOYSA-N 0 0 494.638 5.913 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCCC(C)C)cc3c2)cc1Cl ZINC000020448194 525006352 /nfs/dbraw/zinc/00/63/52/525006352.db2.gz AVQNDUAUAYICPL-UHFFFAOYSA-N 0 0 481.039 5.164 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4cc(C)cc(C)c4)cc3c2)cc1C ZINC000020448003 525006769 /nfs/dbraw/zinc/00/67/69/525006769.db2.gz GHJBCYXWVZOYCK-UHFFFAOYSA-N 0 0 494.638 5.913 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc2)cc1 ZINC000044840142 525006857 /nfs/dbraw/zinc/00/68/57/525006857.db2.gz YLFOAGAMWDHCJP-RUZDIDTESA-N 0 0 466.603 5.038 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCCC4=CCCCC4)cc3c2)cc1C ZINC000020447962 525006924 /nfs/dbraw/zinc/00/69/24/525006924.db2.gz ZQDQGEUHYSFUBF-UHFFFAOYSA-N 0 0 498.670 5.664 40 0 JKABRN Cc1ccccc1-c1nc(S(=O)(=O)Cc2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2)n1 ZINC000095116152 525010538 /nfs/dbraw/zinc/01/05/38/525010538.db2.gz VCBVNJMIQYFXCR-UHFFFAOYSA-N 0 0 472.397 5.583 40 0 JKABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000022524761 525069378 /nfs/dbraw/zinc/06/93/78/525069378.db2.gz OVECZMBUGJPTQS-GOSISDBHSA-N 0 0 477.070 5.057 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1N1CCCC1=O ZINC000044844757 525079377 /nfs/dbraw/zinc/07/93/77/525079377.db2.gz NXBATRXPPJBZPK-UHFFFAOYSA-N 0 0 482.627 5.224 40 0 JKABRN C[C@@H](NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535934 525099290 /nfs/dbraw/zinc/09/92/90/525099290.db2.gz CXFDAUNUHHYJAN-MRXNPFEDSA-N 0 0 495.403 5.201 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000022429925 525099555 /nfs/dbraw/zinc/09/95/55/525099555.db2.gz OHKHWSIMDLZGKT-OAHLLOKOSA-N 0 0 481.376 5.205 40 0 JKABRN COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1OC ZINC000020450201 525106913 /nfs/dbraw/zinc/10/69/13/525106913.db2.gz 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40 0 JKABRN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000000779403 553778866 /nfs/dbraw/zinc/77/88/66/553778866.db2.gz WROAFTIBGWJSHJ-UHFFFAOYSA-N 0 0 470.381 5.482 40 0 JKABRN O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000000786801 553781528 /nfs/dbraw/zinc/78/15/28/553781528.db2.gz SGFMJGFHGVUWTI-UHFFFAOYSA-N 0 0 467.957 5.403 40 0 JKABRN O=C(Nc1cccc(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000000793192 553782158 /nfs/dbraw/zinc/78/21/58/553782158.db2.gz GPYFQPDYAOYXCE-KSSFIOAISA-N 0 0 464.831 5.178 40 0 JKABRN COc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1Cl ZINC000000800067 553783650 /nfs/dbraw/zinc/78/36/50/553783650.db2.gz BYXHBHNXAHWWKT-SFHVURJKSA-N 0 0 474.932 5.496 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1cccs1)N(CCc1ccc(Cl)cc1)C(=O)C(F)(F)F ZINC000000800194 553783877 /nfs/dbraw/zinc/78/38/77/553783877.db2.gz JIQVIZYFTHARRA-SFHVURJKSA-N 0 0 458.933 5.135 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1 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ZINC000001331774 553945659 /nfs/dbraw/zinc/94/56/59/553945659.db2.gz KHGBVDUGXLDZPQ-RUZDIDTESA-N 0 0 460.624 5.439 40 0 JKABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000001331827 553945806 /nfs/dbraw/zinc/94/58/06/553945806.db2.gz VCXLFWFRTHANNW-MHZLTWQESA-N 0 0 498.604 5.168 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000001331807 553945811 /nfs/dbraw/zinc/94/58/11/553945811.db2.gz NKBAHTWYQSEOAL-MUUNZHRXSA-N 0 0 468.622 5.686 40 0 JKABRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1 ZINC000001331803 553945842 /nfs/dbraw/zinc/94/58/42/553945842.db2.gz WRTOCDCUIMAQMS-MHZLTWQESA-N 0 0 472.585 5.516 40 0 JKABRN O=C(Nc1ccc(F)cc1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1cnccn1 ZINC000001331994 553946217 /nfs/dbraw/zinc/94/62/17/553946217.db2.gz BMNNVNUCMCLLLT-XMMPIXPASA-N 0 0 492.913 5.431 40 0 JKABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000001331877 553946238 /nfs/dbraw/zinc/94/62/38/553946238.db2.gz YJWZBGPERSIANE-MHZLTWQESA-N 0 0 454.595 5.690 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1cnccn1)c1ccc(F)cc1 ZINC000001331950 553946250 /nfs/dbraw/zinc/94/62/50/553946250.db2.gz SGVIWFITYCUJGI-RUZDIDTESA-N 0 0 488.494 5.180 40 0 JKABRN Cc1ccccc1[C@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 ZINC000001332112 553946667 /nfs/dbraw/zinc/94/66/67/553946667.db2.gz KNKKPRIZIYHANY-RUZDIDTESA-N 0 0 472.495 5.086 40 0 JKABRN CC(=O)c1cccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)c1 ZINC000001332140 553946901 /nfs/dbraw/zinc/94/69/01/553946901.db2.gz ZPGDEMRWWPVUMX-SANMLTNESA-N 0 0 482.515 5.154 40 0 JKABRN Cc1cc(C)cc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)c1 ZINC000001332166 553946906 /nfs/dbraw/zinc/94/69/06/553946906.db2.gz AISUDQOHFPFYPH-SANMLTNESA-N 0 0 468.532 5.568 40 0 JKABRN Cc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2F)cc1C ZINC000001332208 553946917 /nfs/dbraw/zinc/94/69/17/553946917.db2.gz ACGNHIMGBBUMKX-RUZDIDTESA-N 0 0 472.495 5.398 40 0 JKABRN Cc1cccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2F)c1 ZINC000001332211 553946930 /nfs/dbraw/zinc/94/69/30/553946930.db2.gz XAHAATUFMRSYQX-XMMPIXPASA-N 0 0 458.468 5.090 40 0 JKABRN CCc1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1 ZINC000001332159 553946958 /nfs/dbraw/zinc/94/69/58/553946958.db2.gz MWSUELJTZUPFOS-SANMLTNESA-N 0 0 468.532 5.513 40 0 JKABRN Cc1ccc(CN(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2F)cc1 ZINC000001332191 553946961 /nfs/dbraw/zinc/94/69/61/553946961.db2.gz FIPBAOIDHDLRCF-RUZDIDTESA-N 0 0 472.495 5.086 40 0 JKABRN COc1cccc([C@@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccc(Cl)cc2)c1 ZINC000001332231 553946965 /nfs/dbraw/zinc/94/69/65/553946965.db2.gz GFNIEMPLHYLAQO-DEOSSOPVSA-N 0 0 490.922 5.305 40 0 JKABRN CC(=O)c1cccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)c1 ZINC000001332141 553946972 /nfs/dbraw/zinc/94/69/72/553946972.db2.gz ZPGDEMRWWPVUMX-AREMUKBSSA-N 0 0 482.515 5.154 40 0 JKABRN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001332879 553947206 /nfs/dbraw/zinc/94/72/06/553947206.db2.gz ANIXIFSLNCJGOJ-UHFFFAOYSA-N 0 0 490.997 6.793 40 0 JKABRN O=C(CSc1nc(C2CC2)nc2ccccc21)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001332636 553947255 /nfs/dbraw/zinc/94/72/55/553947255.db2.gz UCFLVSBDFNINMD-UHFFFAOYSA-N 0 0 452.992 6.015 40 0 JKABRN CCC(=O)Nc1ccc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c32)CCCC4)cc1C ZINC000001332810 553947321 /nfs/dbraw/zinc/94/73/21/553947321.db2.gz OVBHHXDMNXGRJC-UHFFFAOYSA-N 0 0 480.659 5.835 40 0 JKABRN COc1ccc(-c2nc3sc4c(c3c(N3CCN(C(=O)C5CCCCC5)CC3)n2)CCCC4)cc1 ZINC000001332463 553947327 /nfs/dbraw/zinc/94/73/27/553947327.db2.gz CLJWLZOKIOKORQ-UHFFFAOYSA-N 0 0 490.673 5.475 40 0 JKABRN COc1ccc(-c2ccc(SCC(=O)N3c4ccccc4CCc4ccccc43)nn2)cc1OC ZINC000001332370 553947331 /nfs/dbraw/zinc/94/73/31/553947331.db2.gz ZKJFOKYNSVIHGH-UHFFFAOYSA-N 0 0 483.593 5.716 40 0 JKABRN CCc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2cccc(OC)c2)cc1 ZINC000001333037 553947601 /nfs/dbraw/zinc/94/76/01/553947601.db2.gz VICIIUFLYOZRTD-AREMUKBSSA-N 0 0 484.531 5.214 40 0 JKABRN CCc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C(=O)c2cnccn2)cc1 ZINC000001333069 553947617 /nfs/dbraw/zinc/94/76/17/553947617.db2.gz WEZYHVQNYZSJAA-AREMUKBSSA-N 0 0 468.532 5.201 40 0 JKABRN CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)c4ccc(C)cc4)o3)cs2)cc1 ZINC000001332939 553947627 /nfs/dbraw/zinc/94/76/27/553947627.db2.gz RAOADMXNHJHFIO-UHFFFAOYSA-N 0 0 466.588 5.543 40 0 JKABRN CCc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(Cc2cccc(OC)c2)C(=O)c2cnccn2)cc1 ZINC000001333063 553947628 /nfs/dbraw/zinc/94/76/28/553947628.db2.gz VUEQDQJNKZOGNE-HHHXNRCGSA-N 0 0 498.558 5.209 40 0 JKABRN COc1cccc([C@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2cc(C)cc(C)c2)c1 ZINC000001333044 553947637 /nfs/dbraw/zinc/94/76/37/553947637.db2.gz KJKPVHVAKWJYFV-AREMUKBSSA-N 0 0 484.531 5.268 40 0 JKABRN Cc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccc(C)cc2)cc1 ZINC000001333136 553947886 /nfs/dbraw/zinc/94/78/86/553947886.db2.gz YHCKOTWPKHUDGD-RUZDIDTESA-N 0 0 454.505 5.259 40 0 JKABRN CCOc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccc(C)cc2)cc1 ZINC000001333131 553947892 /nfs/dbraw/zinc/94/78/92/553947892.db2.gz VHJBZWFTGFDZOO-AREMUKBSSA-N 0 0 484.531 5.350 40 0 JKABRN CCOc1ccc([C@@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccc(C)cc2)C(=O)c2cnccn2)cc1 ZINC000001333162 553947906 /nfs/dbraw/zinc/94/79/06/553947906.db2.gz UVTQQYRKQCIHJV-MHZLTWQESA-N 0 0 498.558 5.345 40 0 JKABRN Cc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccc(F)cc2)cc1 ZINC000001333118 553947920 /nfs/dbraw/zinc/94/79/20/553947920.db2.gz HTSFBBMVGOXLCW-XMMPIXPASA-N 0 0 458.468 5.090 40 0 JKABRN Cc1ccc([C@@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)c2cnccn2)cc1 ZINC000001333097 553947922 /nfs/dbraw/zinc/94/79/22/553947922.db2.gz QTZCENQALRINNY-VWLOTQADSA-N 0 0 488.950 5.600 40 0 JKABRN CCOc1cccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccc(C)cc2)c1 ZINC000001333132 553947927 /nfs/dbraw/zinc/94/79/27/553947927.db2.gz HOHIHWQRNBFCOL-SANMLTNESA-N 0 0 484.531 5.350 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2cccs2)cc1 ZINC000001333484 553948208 /nfs/dbraw/zinc/94/82/08/553948208.db2.gz GAOFESGOOKWEGQ-HSZRJFAPSA-N 0 0 452.576 5.182 40 0 JKABRN Cc1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1C ZINC000001333221 553948248 /nfs/dbraw/zinc/94/82/48/553948248.db2.gz JMDOOLJUUGJKLF-VWLOTQADSA-N 0 0 454.505 5.259 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000001333519 553948392 /nfs/dbraw/zinc/94/83/92/553948392.db2.gz RTKIGGFPMHPNCV-XMMPIXPASA-N 0 0 462.571 5.314 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000001333522 553948464 /nfs/dbraw/zinc/94/84/64/553948464.db2.gz LQCLSJSQRUAUJH-RUZDIDTESA-N 0 0 476.598 5.356 40 0 JKABRN COc1ccccc1CN(C(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000001333540 553948847 /nfs/dbraw/zinc/94/88/47/553948847.db2.gz BRRYYOLSSBLJBY-HSZRJFAPSA-N 0 0 452.576 5.182 40 0 JKABRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000001333598 553948850 /nfs/dbraw/zinc/94/88/50/553948850.db2.gz PRGYECLIGVWUPQ-AREMUKBSSA-N 0 0 499.571 5.041 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000001333564 553948857 /nfs/dbraw/zinc/94/88/57/553948857.db2.gz KQFLROMOVOZZHP-VWLOTQADSA-N 0 0 462.615 5.589 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 ZINC000001333556 553948864 /nfs/dbraw/zinc/94/88/64/553948864.db2.gz ADSIWHXEBZHYIV-RUZDIDTESA-N 0 0 480.605 5.728 40 0 JKABRN COc1cccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000001333562 553948870 /nfs/dbraw/zinc/94/88/70/553948870.db2.gz AWSDTCMRFXUJCX-VWLOTQADSA-N 0 0 462.615 5.589 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(Cl)c2)o1 ZINC000001333610 553948871 /nfs/dbraw/zinc/94/88/71/553948871.db2.gz FYIGNSXMGOLMEX-HSZRJFAPSA-N 0 0 456.995 5.679 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc3c(c2)CCC3)o1 ZINC000001333628 553948879 /nfs/dbraw/zinc/94/88/79/553948879.db2.gz AYHUKVSIJRYHDO-AREMUKBSSA-N 0 0 462.615 5.514 40 0 JKABRN COc1ccccc1CN(C(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000001333560 553948881 /nfs/dbraw/zinc/94/88/81/553948881.db2.gz WZEIWXGTFXKKNW-VWLOTQADSA-N 0 0 462.615 5.589 40 0 JKABRN O=C(Cc1cccs1)N(CCC1=CCCCC1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001333692 553949103 /nfs/dbraw/zinc/94/91/03/553949103.db2.gz VZKRTONYALJAPQ-DEOSSOPVSA-N 0 0 456.677 5.871 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1F ZINC000001333712 553949145 /nfs/dbraw/zinc/94/91/45/553949145.db2.gz ACSFGUYCEMBAKS-QHCPKHFHSA-N 0 0 456.608 5.633 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)c(C)c2)o1 ZINC000001333644 553949147 /nfs/dbraw/zinc/94/91/47/553949147.db2.gz GYBXALQFPOKXLG-RUZDIDTESA-N 0 0 450.604 5.642 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(Cl)c1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001333707 553949155 /nfs/dbraw/zinc/94/91/55/553949155.db2.gz QQXKCWQWRGJJSC-JOCHJYFZSA-N 0 0 459.036 5.839 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2C)o1 ZINC000001333657 553949170 /nfs/dbraw/zinc/94/91/70/553949170.db2.gz WUNGCBCWJLWJPG-RUZDIDTESA-N 0 0 450.604 5.642 40 0 JKABRN Cc1cc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1 ZINC000001333739 553949175 /nfs/dbraw/zinc/94/91/75/553949175.db2.gz IUALTSUXMQZUFW-VWLOTQADSA-N 0 0 466.672 6.111 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccc2c(c1)OCO2 ZINC000001333816 553949578 /nfs/dbraw/zinc/94/95/78/553949578.db2.gz HWTALXAEMPOSIA-AREMUKBSSA-N 0 0 476.598 5.161 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc3c(c2)OCO3)cc1 ZINC000001333818 553949595 /nfs/dbraw/zinc/94/95/95/553949595.db2.gz QUUSBUUEKPVTGP-MHZLTWQESA-N 0 0 490.625 5.415 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000001333758 553949616 /nfs/dbraw/zinc/94/96/16/553949616.db2.gz 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456.930 5.193 40 0 JKABRN Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1sc2cc(Cl)ccc2c1Cl ZINC000001452060 553974183 /nfs/dbraw/zinc/97/41/83/553974183.db2.gz XTPGNEZXPDBJMY-UHFFFAOYSA-N 0 0 452.363 6.118 40 0 JKABRN Cc1ccc(NC(=O)c2ccccc2S[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001454448 553974470 /nfs/dbraw/zinc/97/44/70/553974470.db2.gz DKXOEZQMHCOHHV-OAQYLSRUSA-N 0 0 495.398 5.434 40 0 JKABRN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc(Br)cc1 ZINC000001469869 553976861 /nfs/dbraw/zinc/97/68/61/553976861.db2.gz XWSPRGPUGIYMBC-UHFFFAOYSA-N 0 0 494.370 5.401 40 0 JKABRN CCOC(=O)c1cc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)n2n1 ZINC000001557602 553977963 /nfs/dbraw/zinc/97/79/63/553977963.db2.gz WZOYEIWNFHZIAA-UHFFFAOYSA-N 0 0 494.594 8.179 40 0 JKABRN COc1cc(OC)c(NC(=O)Oc2cc(C)c(I)cc2C)cc1Cl ZINC000001560684 553978410 /nfs/dbraw/zinc/97/84/10/553978410.db2.gz WSEMKPLALRGERY-UHFFFAOYSA-N 0 0 461.683 5.190 40 0 JKABRN Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](COc3ccc(-c4ccccc4)cc3)O2)c(Cl)c1 ZINC000001567316 553978420 /nfs/dbraw/zinc/97/84/20/553978420.db2.gz GNZHVEIGGFMLSP-ZEQKJWHPSA-N 0 0 481.379 6.204 40 0 in-man JKABRN Cc1cc(-c2ccc(NC(=O)Nc3cccc(F)c3)c(C)c2)ccc1NC(=O)Nc1cccc(F)c1 ZINC000001579333 553979088 /nfs/dbraw/zinc/97/90/88/553979088.db2.gz CHIMAQQNWSHZNV-UHFFFAOYSA-N 0 0 486.522 7.537 40 0 JKABRN Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c(-c2ccccc2)n1-c1ccccc1 ZINC000001582305 553979497 /nfs/dbraw/zinc/97/94/97/553979497.db2.gz OGSLJEMRQUYVAH-UHFFFAOYSA-N 0 0 463.578 5.722 40 0 JKABRN CCCC[C@@]1(O)c2cccc(-c3ccccc3)c2[C@@](O)(CCCC)c2ccc3ccccc3c21 ZINC000001593421 553979856 /nfs/dbraw/zinc/97/98/56/553979856.db2.gz CVQRSCZMVLPWRW-ROJLCIKYSA-N 0 0 450.622 7.672 40 0 JKABRN O=C1OC(c2ccccc2)(c2ccccc2)CC12CC(c1ccccc1)(c1ccccc1)OC2=O ZINC000001591092 553979910 /nfs/dbraw/zinc/97/99/10/553979910.db2.gz IWTGYAYNIIINEW-UHFFFAOYSA-N 0 0 460.529 5.754 40 0 JKABRN Cc1c(C(=O)C[C@H]2OC(=O)C(Cl)=C2Cl)c2ccccc2n1C(=O)Nc1ccc(Cl)cc1 ZINC000001592556 553979919 /nfs/dbraw/zinc/97/99/19/553979919.db2.gz UPQOPMICYJKLDT-QGZVFWFLSA-N 0 0 477.731 5.871 40 0 JKABRN CCCC[C@@]1(O)c2cccc(-c3ccccc3)c2[C@](O)(CCCC)c2ccc3ccccc3c21 ZINC000001593423 553979928 /nfs/dbraw/zinc/97/99/28/553979928.db2.gz CVQRSCZMVLPWRW-ZWXJPIIXSA-N 0 0 450.622 7.672 40 0 JKABRN O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)Oc1c(Cl)cc(Cl)c(Cl)c1Cl ZINC000001597744 553980189 /nfs/dbraw/zinc/98/01/89/553980189.db2.gz RSMTZZPXOMQDBE-UHFFFAOYSA-N 0 0 489.780 8.492 40 0 JKABRN CCc1cc(CC)c(C(=O)c2ccc(C(=O)c3c(CC)cc(CC)cc3CC)cc2)c(CC)c1 ZINC000001609956 553980464 /nfs/dbraw/zinc/98/04/64/553980464.db2.gz LRTSFRBCTBPXDE-UHFFFAOYSA-N 0 0 454.654 7.523 40 0 JKABRN Cc1ccc(S(=O)(=O)Oc2c(Br)cc(-c3ccccc3)cc2Br)cc1 ZINC000001621487 553980735 /nfs/dbraw/zinc/98/07/35/553980735.db2.gz XZMRMZCBIXOTRO-UHFFFAOYSA-N 0 0 482.193 5.955 40 0 JKABRN COc1ccc(C=C(c2ccc(OCc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000001629223 553981123 /nfs/dbraw/zinc/98/11/23/553981123.db2.gz WEPZIGQWIXTQSH-UHFFFAOYSA-N 0 0 498.622 8.442 40 0 JKABRN CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1c-2cc(Br)c(N)c1Br ZINC000001638378 553981150 /nfs/dbraw/zinc/98/11/50/553981150.db2.gz UZWZFGFFFRCIIK-UHFFFAOYSA-N 0 0 464.972 5.630 40 0 JKABRN CCOC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1NCc1ccccc1 ZINC000001635172 553981171 /nfs/dbraw/zinc/98/11/71/553981171.db2.gz URPGXRRFSWCLHF-UHFFFAOYSA-N 0 0 457.555 5.146 40 0 JKABRN CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000001644256 553981555 /nfs/dbraw/zinc/98/15/55/553981555.db2.gz CATFQSLDJQMAHG-UHFFFAOYSA-N 0 0 488.546 5.587 40 0 JKABRN O=C(c1ccccc1)N1[C@@H](c2ccccc2)[C@]1(c1ccccc1)C1(c2ccccc2)SCCCS1 ZINC000001664240 553982228 /nfs/dbraw/zinc/98/22/28/553982228.db2.gz OWEWDXOMHOASRU-LCOHPWJPSA-N 0 0 493.697 7.502 40 0 JKABRN Clc1ccc(CSc2ccnc(SCc3ccc(Cl)cc3Cl)n2)c(Cl)c1 ZINC000001675976 553982416 /nfs/dbraw/zinc/98/24/16/553982416.db2.gz FZYRMCJTRZWGLV-UHFFFAOYSA-N 0 0 462.254 7.675 40 0 JKABRN O=C(Nc1ccc(C2=NCCS2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCS3)cc2)cc1 ZINC000001689505 553982990 /nfs/dbraw/zinc/98/29/90/553982990.db2.gz KDTIDXFEDBTMMY-UHFFFAOYSA-N 0 0 486.622 5.178 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)OC(c1ccccc1)c1ccccc1 ZINC000001703560 553984055 /nfs/dbraw/zinc/98/40/55/553984055.db2.gz LLXMJHSDRLPXJB-UHFFFAOYSA-N 0 0 464.587 5.636 40 0 JKABRN CC(C)OP(=O)(OC(C)C)[C@@H]1[C@@H](P(=O)(OC(C)C)OC(C)C)C(F)(F)C1(F)F ZINC000001713099 553984271 /nfs/dbraw/zinc/98/42/71/553984271.db2.gz DCVQYHOSTJVUGT-ZIAGYGMSSA-N 0 0 456.350 6.094 40 0 JKABRN COc1cc2c(c(OC)c1OC)-c1ccc(SCc3ccccc3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000001731700 553984969 /nfs/dbraw/zinc/98/49/69/553984969.db2.gz GBYSTLGOMHZCPZ-JOCHJYFZSA-N 0 0 491.609 5.155 40 0 JKABRN COc1ccc([C@@H]2C=C(c3ccc4c(c3)OCO4)Oc3c4ccccc4oc(=O)c32)cc1OC ZINC000001748903 553985775 /nfs/dbraw/zinc/98/57/75/553985775.db2.gz AXGMPAAIRJSHFS-SFHVURJKSA-N 0 0 456.450 5.104 40 0 JKABRN Oc1ccc2ccccc2c1-c1c(OC(c2ccccc2)c2ccccc2)ccc2ccccc21 ZINC000001765601 553986113 /nfs/dbraw/zinc/98/61/13/553986113.db2.gz SFJHDWMUAQPOLG-UHFFFAOYSA-N 0 0 452.553 8.534 40 0 JKABRN CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000001761835 553986174 /nfs/dbraw/zinc/98/61/74/553986174.db2.gz YZVKDPFWEMCJRQ-UHFFFAOYSA-N 0 0 496.673 6.241 40 0 JKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001773658 553987150 /nfs/dbraw/zinc/98/71/50/553987150.db2.gz TUCGNYXUKOXRHS-UHFFFAOYSA-N 0 0 451.773 6.024 40 0 JKABRN CCOC(=O)c1c(NC(=S)NC(=O)COc2cc(C)ccc2C)sc(C)c1-c1ccccc1 ZINC000001783115 553988510 /nfs/dbraw/zinc/98/85/10/553988510.db2.gz RYIBTPGTYXQWOP-UHFFFAOYSA-N 0 0 482.627 5.409 40 0 JKABRN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000001783224 553988575 /nfs/dbraw/zinc/98/85/75/553988575.db2.gz UGMYTKRASRHMLK-AWEZNQCLSA-N 0 0 474.376 5.760 40 0 JKABRN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000001783192 553988718 /nfs/dbraw/zinc/98/87/18/553988718.db2.gz QEFBPTIUCAQWPP-CYBMUJFWSA-N 0 0 460.349 5.370 40 0 JKABRN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Br)c2)sc2c1CC[C@H](C)C2 ZINC000001783216 553988748 /nfs/dbraw/zinc/98/87/48/553988748.db2.gz DITZFTSAYDNNBX-STQMWFEESA-N 0 0 466.397 5.218 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000001838854 553993817 /nfs/dbraw/zinc/99/38/17/553993817.db2.gz XJADETUHKVQTIX-XNWCZRBMSA-N 0 0 457.292 5.527 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)c(Cl)c4)c3)nc2c1 ZINC000001837956 553993829 /nfs/dbraw/zinc/99/38/29/553993829.db2.gz CLJHHIVDJWVMKY-CQSZACIVSA-N 0 0 469.368 7.576 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccccc4C)c3)nc2c1 ZINC000001838317 553993848 /nfs/dbraw/zinc/99/38/48/553993848.db2.gz QFTHQYSCAYKEGW-OAHLLOKOSA-N 0 0 478.017 7.097 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nc2c1 ZINC000001838379 553993859 /nfs/dbraw/zinc/99/38/59/553993859.db2.gz GGXOOAGHSLLUPE-XNWJVHIKSA-N 0 0 465.380 7.967 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4OC)cc3)nc2c1 ZINC000001839417 553994190 /nfs/dbraw/zinc/99/41/90/553994190.db2.gz IXYBXYLDDWFWFS-RCLKMUNOSA-N 0 0 495.406 7.976 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000001839013 553994218 /nfs/dbraw/zinc/99/42/18/553994218.db2.gz DQQDSUBGBZGSNX-CSKARUKUSA-N 0 0 469.393 7.239 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(I)cc2CC)c1 ZINC000001839843 553994432 /nfs/dbraw/zinc/99/44/32/553994432.db2.gz GWROEROUNATOSE-UHFFFAOYSA-N 0 0 482.387 5.159 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 ZINC000001840342 553994859 /nfs/dbraw/zinc/99/48/59/553994859.db2.gz PQSSOWCXVPLBTA-JXMROGBWSA-N 0 0 480.347 6.736 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)c(C)c1 ZINC000001846148 553995108 /nfs/dbraw/zinc/99/51/08/553995108.db2.gz TXRCWAWQHGCSMW-UHFFFAOYSA-N 0 0 471.354 7.280 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001846656 553995362 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LJWNLANCXRZSNO-UHFFFAOYSA-N 0 0 498.377 5.938 40 0 JKABRN CC(=O)O[C@@H]1C[C@H]2[C@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C[C@]12O ZINC000013407571 555396677 /nfs/dbraw/zinc/39/66/77/555396677.db2.gz PXFRNYUNPMSUHK-OGNOPKQFSA-N 0 0 460.699 6.333 40 0 JKABRN CCOC(=O)C(C)(C)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000013408863 555396869 /nfs/dbraw/zinc/39/68/69/555396869.db2.gz IBVFQPADUBNBIW-DJFCSCDMSA-N 0 0 478.717 7.740 40 0 JKABRN Cc1ccc(NCc2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3)n2C)cc1Cl ZINC000013423959 555397911 /nfs/dbraw/zinc/39/79/11/555397911.db2.gz CKLWPSKLDCNMBN-CYBMUJFWSA-N 0 0 450.395 5.162 40 0 JKABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013424287 555398492 /nfs/dbraw/zinc/39/84/92/555398492.db2.gz ATVMVKJIWKQJTO-UHFFFAOYSA-N 0 0 487.021 5.904 40 0 JKABRN Fc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000013424532 555398640 /nfs/dbraw/zinc/39/86/40/555398640.db2.gz TZDWGBRAZASFGM-OAQYLSRUSA-N 0 0 464.165 7.251 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cc(Cl)ccc1Cl ZINC000013425244 555399220 /nfs/dbraw/zinc/39/92/20/555399220.db2.gz DDJSMZSSCKGSIB-UHFFFAOYSA-N 0 0 458.292 6.200 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494419 555404205 /nfs/dbraw/zinc/40/42/05/555404205.db2.gz OVTFYJDXFFRILM-QHCPKHFHSA-N 0 0 458.610 5.040 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494459 555404635 /nfs/dbraw/zinc/40/46/35/555404635.db2.gz HEDWBCYFDFWZTH-XMMPIXPASA-N 0 0 488.636 5.049 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)C)N(CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494561 555405059 /nfs/dbraw/zinc/40/50/59/555405059.db2.gz DVCIZVVAOTYIFS-RUZDIDTESA-N 0 0 472.637 5.082 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494641 555405384 /nfs/dbraw/zinc/40/53/84/555405384.db2.gz CAMFPXJTPISHOR-HHHXNRCGSA-N 0 0 496.590 5.164 40 0 JKABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494656 555405539 /nfs/dbraw/zinc/40/55/39/555405539.db2.gz YUKRICCZYUEHCE-HHHXNRCGSA-N 0 0 492.627 5.219 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494668 555405977 /nfs/dbraw/zinc/40/59/77/555405977.db2.gz KSDOFOVFDHIYSM-RUZDIDTESA-N 0 0 470.621 5.482 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494755 555406528 /nfs/dbraw/zinc/40/65/28/555406528.db2.gz DDXCWZYLZALSPX-HHHXNRCGSA-N 0 0 492.627 5.333 40 0 JKABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494757 555406538 /nfs/dbraw/zinc/40/65/38/555406538.db2.gz DDXCWZYLZALSPX-MHZLTWQESA-N 0 0 492.627 5.333 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495100 555407116 /nfs/dbraw/zinc/40/71/16/555407116.db2.gz SOJVYRAEYRFOAF-XMMPIXPASA-N 0 0 488.636 5.130 40 0 JKABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495134 555407193 /nfs/dbraw/zinc/40/71/93/555407193.db2.gz JAVXMZIAHKRAPY-AREMUKBSSA-N 0 0 486.620 5.100 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495783 555409214 /nfs/dbraw/zinc/40/92/14/555409214.db2.gz BJHSYOMRTSHQSO-XMMPIXPASA-N 0 0 492.649 5.243 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495770 555409238 /nfs/dbraw/zinc/40/92/38/555409238.db2.gz RHYMEEWKWHUJCN-JOCHJYFZSA-N 0 0 478.666 5.492 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccccc1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495806 555409544 /nfs/dbraw/zinc/40/95/44/555409544.db2.gz OIZJWBAWLRORLH-HHHXNRCGSA-N 0 0 492.627 5.067 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495873 555409878 /nfs/dbraw/zinc/40/98/78/555409878.db2.gz SAGGMFBNAFXQRQ-SANMLTNESA-N 0 0 484.648 5.443 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495870 555410075 /nfs/dbraw/zinc/41/00/75/555410075.db2.gz HUNNHHXZPQRUQV-RUZDIDTESA-N 0 0 486.664 5.473 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495921 555410114 /nfs/dbraw/zinc/41/01/14/555410114.db2.gz QVINCDDXZIOUJN-VWLOTQADSA-N 0 0 486.664 5.473 40 0 JKABRN CCc1ccccc1N(C(=O)c1ccc2c(c1)OCCO2)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000013496069 555410877 /nfs/dbraw/zinc/41/08/77/555410877.db2.gz KSVKHVGNVWPIQR-AREMUKBSSA-N 0 0 490.575 5.462 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2cccs2)cc1 ZINC000013496056 555410893 /nfs/dbraw/zinc/41/08/93/555410893.db2.gz JYFUWAMLYUVBQO-AREMUKBSSA-N 0 0 460.643 5.850 40 0 JKABRN CCOc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000013496584 555411966 /nfs/dbraw/zinc/41/19/66/555411966.db2.gz FKVLOKMKKCECTG-HHHXNRCGSA-N 0 0 488.609 5.369 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000013496626 555412018 /nfs/dbraw/zinc/41/20/18/555412018.db2.gz CBZJWGJFQYJENE-NDEPHWFRSA-N 0 0 482.605 5.584 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)c1 ZINC000013496558 555412033 /nfs/dbraw/zinc/41/20/33/555412033.db2.gz BJAOYAQQUZTBRJ-GDLZYMKVSA-N 0 0 498.648 5.694 40 0 JKABRN COc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013496660 555412272 /nfs/dbraw/zinc/41/22/72/555412272.db2.gz PNGYNHWASJFNTF-SSEXGKCCSA-N 0 0 495.623 5.861 40 0 JKABRN Cc1cc(C)cc(N(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000013496732 555412307 /nfs/dbraw/zinc/41/23/07/555412307.db2.gz GBOHVDUGQBACAE-VWLOTQADSA-N 0 0 472.495 5.398 40 0 JKABRN CCOCCCN(C(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1Cl ZINC000013497167 555412811 /nfs/dbraw/zinc/41/28/11/555412811.db2.gz CREIRRFYFSQKHY-JOCHJYFZSA-N 0 0 463.043 5.461 40 0 JKABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2cccs2)c1 ZINC000013497273 555413145 /nfs/dbraw/zinc/41/31/45/555413145.db2.gz SVFIOSXGGGCEKK-DEOSSOPVSA-N 0 0 498.670 5.659 40 0 JKABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2cccs2)c1 ZINC000013497275 555413147 /nfs/dbraw/zinc/41/31/47/555413147.db2.gz WXBJMVAAXPGUTK-XMMPIXPASA-N 0 0 482.602 5.191 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2cccs2)c(OC)c1 ZINC000013497281 555413149 /nfs/dbraw/zinc/41/31/49/555413149.db2.gz ZNNQAXQBHZJDCE-DEOSSOPVSA-N 0 0 482.602 5.191 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2cccs2)c1 ZINC000013497268 555413166 /nfs/dbraw/zinc/41/31/66/555413166.db2.gz AKQYRBODVNYUMY-HSZRJFAPSA-N 0 0 468.644 5.651 40 0 JKABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2cccs2)c1 ZINC000013497271 555413180 /nfs/dbraw/zinc/41/31/80/555413180.db2.gz SVFIOSXGGGCEKK-XMMPIXPASA-N 0 0 498.670 5.659 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2cccs2)c(OC)c1 ZINC000013497280 555413189 /nfs/dbraw/zinc/41/31/89/555413189.db2.gz ZNNQAXQBHZJDCE-XMMPIXPASA-N 0 0 482.602 5.191 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2cccs2)c1 ZINC000013497410 555413412 /nfs/dbraw/zinc/41/34/12/555413412.db2.gz QLEBGBOMJBNDDH-VWLOTQADSA-N 0 0 480.605 5.728 40 0 JKABRN COc1ccc(CN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 ZINC000013497348 555413435 /nfs/dbraw/zinc/41/34/35/555413435.db2.gz LKUWYRHSHRLYEW-XMMPIXPASA-N 0 0 466.603 5.491 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2cccs2)o1 ZINC000013497346 555413489 /nfs/dbraw/zinc/41/34/89/555413489.db2.gz FQLCETCRFBQSBR-DEOSSOPVSA-N 0 0 480.586 5.211 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2cccs2)cc1 ZINC000013497388 555413503 /nfs/dbraw/zinc/41/35/03/555413503.db2.gz UVMSKZZEQZYBPA-RUZDIDTESA-N 0 0 480.605 5.728 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)c1cccs1 ZINC000013497424 555413692 /nfs/dbraw/zinc/41/36/92/555413692.db2.gz KDIZKHQFHLDRKY-XMMPIXPASA-N 0 0 468.569 5.859 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(Cc1ccc2c(c1)OCO2)C(=O)c1cccs1 ZINC000013497419 555413700 /nfs/dbraw/zinc/41/37/00/555413700.db2.gz XWOPDCGNKVEIMY-RUZDIDTESA-N 0 0 494.588 5.449 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cccs1 ZINC000013497438 555413727 /nfs/dbraw/zinc/41/37/27/555413727.db2.gz BWMBMDHRNXCNMT-AREMUKBSSA-N 0 0 490.625 5.618 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 ZINC000013497583 555414040 /nfs/dbraw/zinc/41/40/40/555414040.db2.gz BBUIZQSWPKKWMH-RUZDIDTESA-N 0 0 464.587 5.228 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)Cc2cccs2)o1 ZINC000013497534 555414067 /nfs/dbraw/zinc/41/40/67/555414067.db2.gz HWSRLHQBOZGYLC-XMMPIXPASA-N 0 0 471.022 5.674 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(C)o1 ZINC000013497593 555414096 /nfs/dbraw/zinc/41/40/96/555414096.db2.gz POFLLWAHQRLYRJ-VWLOTQADSA-N 0 0 464.587 5.228 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013497705 555414593 /nfs/dbraw/zinc/41/45/93/555414593.db2.gz LRZJOAUHXPHWQK-AREMUKBSSA-N 0 0 497.060 5.782 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000013497703 555414664 /nfs/dbraw/zinc/41/46/64/555414664.db2.gz CPBRBKYBBNQVTO-AREMUKBSSA-N 0 0 497.060 5.782 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013497706 555414667 /nfs/dbraw/zinc/41/46/67/555414667.db2.gz LRZJOAUHXPHWQK-SANMLTNESA-N 0 0 497.060 5.782 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013497682 555414679 /nfs/dbraw/zinc/41/46/79/555414679.db2.gz YGVVFUQNBUUNRH-QHCPKHFHSA-N 0 0 454.617 5.194 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013497687 555414687 /nfs/dbraw/zinc/41/46/87/555414687.db2.gz JFQKWQAXJQFVCI-XMMPIXPASA-N 0 0 484.643 5.203 40 0 JKABRN COc1ccc(Cl)cc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497684 555414688 /nfs/dbraw/zinc/41/46/88/555414688.db2.gz QXDJEZXPLPPOMO-QHCPKHFHSA-N 0 0 489.062 5.847 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497698 555414696 /nfs/dbraw/zinc/41/46/96/555414696.db2.gz GNFFXYIOENPXEC-QHCPKHFHSA-N 0 0 456.995 5.366 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013497681 555414699 /nfs/dbraw/zinc/41/46/99/555414699.db2.gz YGVVFUQNBUUNRH-HSZRJFAPSA-N 0 0 454.617 5.194 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497721 555414904 /nfs/dbraw/zinc/41/49/04/555414904.db2.gz YRVFFVXFQHBKCG-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013497772 555415074 /nfs/dbraw/zinc/41/50/74/555415074.db2.gz UNTUJQAPWGVSEL-MHZLTWQESA-N 0 0 469.610 5.672 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(Cl)c1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013497762 555415159 /nfs/dbraw/zinc/41/51/59/555415159.db2.gz KRUFQMITVYVUDH-QHCPKHFHSA-N 0 0 453.995 5.172 40 0 JKABRN Cc1cc(C)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c(C)c1 ZINC000013497803 555415342 /nfs/dbraw/zinc/41/53/42/555415342.db2.gz VWPYEUJOQMHXKS-AREMUKBSSA-N 0 0 461.631 5.444 40 0 JKABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)c1 ZINC000013497819 555415347 /nfs/dbraw/zinc/41/53/47/555415347.db2.gz YXFKZYXQXPCCGQ-RUZDIDTESA-N 0 0 498.670 5.198 40 0 JKABRN Cc1cc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c(C)c1 ZINC000013497804 555415416 /nfs/dbraw/zinc/41/54/16/555415416.db2.gz VWPYEUJOQMHXKS-SANMLTNESA-N 0 0 461.631 5.444 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)c(OC)c1 ZINC000013497853 555415632 /nfs/dbraw/zinc/41/56/32/555415632.db2.gz WEIRMJZPKKWQCH-HHHXNRCGSA-N 0 0 492.641 5.137 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)c(OC)c1 ZINC000013497858 555415664 /nfs/dbraw/zinc/41/56/64/555415664.db2.gz BKYZFZVJFPSZHJ-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)c1OC ZINC000013497840 555415667 /nfs/dbraw/zinc/41/56/67/555415667.db2.gz IJQUXOUGATYVCX-SANMLTNESA-N 0 0 492.641 5.450 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1cccs1 ZINC000013497865 555415720 /nfs/dbraw/zinc/41/57/20/555415720.db2.gz SAJCUJJGGWFBJB-MUUNZHRXSA-N 0 0 490.669 5.561 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1OC ZINC000013497902 555416256 /nfs/dbraw/zinc/41/62/56/555416256.db2.gz FXMVLFJBZMDYMX-MHZLTWQESA-N 0 0 492.641 5.137 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)cc1 ZINC000013497924 555416261 /nfs/dbraw/zinc/41/62/61/555416261.db2.gz RNSPUCALPJVQIY-MHZLTWQESA-N 0 0 494.632 5.657 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)c1 ZINC000013497934 555416265 /nfs/dbraw/zinc/41/62/65/555416265.db2.gz PMJQTOMJQSAKTN-DEOSSOPVSA-N 0 0 468.644 5.190 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)c1 ZINC000013497933 555416267 /nfs/dbraw/zinc/41/62/67/555416267.db2.gz PMJQTOMJQSAKTN-XMMPIXPASA-N 0 0 468.644 5.190 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)cc1OC ZINC000013497908 555416273 /nfs/dbraw/zinc/41/62/73/555416273.db2.gz YSSPPDPCSXAKEZ-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)cc1 ZINC000013497930 555416283 /nfs/dbraw/zinc/41/62/83/555416283.db2.gz MGLKTEOKHVQPHR-SANMLTNESA-N 0 0 462.615 5.523 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)cc1 ZINC000013497929 555416291 /nfs/dbraw/zinc/41/62/91/555416291.db2.gz MGLKTEOKHVQPHR-AREMUKBSSA-N 0 0 462.615 5.523 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1OC ZINC000013497904 555416293 /nfs/dbraw/zinc/41/62/93/555416293.db2.gz BQXOUVORELFJQI-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)c1 ZINC000013497945 555416591 /nfs/dbraw/zinc/41/65/91/555416591.db2.gz ZUMANRLKOXTDPL-HHHXNRCGSA-N 0 0 492.641 5.137 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)c1 ZINC000013497952 555416597 /nfs/dbraw/zinc/41/65/97/555416597.db2.gz FEAOONMFIGPOCB-SANMLTNESA-N 0 0 462.615 5.128 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(Cl)cc2)c1 ZINC000013497963 555416599 /nfs/dbraw/zinc/41/65/99/555416599.db2.gz ZOBBFRKXTCZFCE-RUZDIDTESA-N 0 0 483.033 5.786 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)Cc2cccs2)c1 ZINC000013497942 555416638 /nfs/dbraw/zinc/41/66/38/555416638.db2.gz OWGVTLSWOOIPNW-SANMLTNESA-N 0 0 497.060 5.782 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)c1 ZINC000013497939 555416650 /nfs/dbraw/zinc/41/66/50/555416650.db2.gz LBJYFAFUSZJXKV-AREMUKBSSA-N 0 0 480.605 5.267 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)c1 ZINC000013497946 555416666 /nfs/dbraw/zinc/41/66/66/555416666.db2.gz ZUMANRLKOXTDPL-MHZLTWQESA-N 0 0 492.641 5.137 40 0 JKABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1cccc(OC)c1 ZINC000013497985 555416912 /nfs/dbraw/zinc/41/69/12/555416912.db2.gz CHWBYLUTYVDXFG-HHHXNRCGSA-N 0 0 492.641 5.531 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2)c1 ZINC000013497990 555416921 /nfs/dbraw/zinc/41/69/21/555416921.db2.gz NWWXPDISRIGJSG-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)c1 ZINC000013497972 555416955 /nfs/dbraw/zinc/41/69/55/555416955.db2.gz BOMQAFYODOJHOH-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2c(C)cccc2C)c1 ZINC000013497994 555416968 /nfs/dbraw/zinc/41/69/68/555416968.db2.gz LDSISIIGZOMSSU-MHZLTWQESA-N 0 0 476.642 5.749 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)c1 ZINC000013498002 555417192 /nfs/dbraw/zinc/41/71/92/555417192.db2.gz VHUBCCWZZOTKAU-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN CCc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1cccc(OC)c1 ZINC000013498003 555417198 /nfs/dbraw/zinc/41/71/98/555417198.db2.gz OOYJXPZPMWLYKV-HHHXNRCGSA-N 0 0 476.642 5.695 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2C)c1 ZINC000013497999 555417201 /nfs/dbraw/zinc/41/72/01/555417201.db2.gz LMOQYCXQTGUYST-HHHXNRCGSA-N 0 0 476.642 5.749 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2)cc1 ZINC000013498057 555417497 /nfs/dbraw/zinc/41/74/97/555417497.db2.gz FLESDJAVGNWJFC-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2OC)cc1 ZINC000013498053 555417523 /nfs/dbraw/zinc/41/75/23/555417523.db2.gz VSJDHZVDCQUYTL-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(Cl)c2)cc1 ZINC000013498030 555417537 /nfs/dbraw/zinc/41/75/37/555417537.db2.gz OVJQMSOHGWRMQE-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cc(C)ccc2OC)cc1 ZINC000013498052 555417545 /nfs/dbraw/zinc/41/75/45/555417545.db2.gz JHZCSGDLPBOZDQ-MHZLTWQESA-N 0 0 492.641 5.450 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000013498037 555417548 /nfs/dbraw/zinc/41/75/48/555417548.db2.gz SDOUPIPLNLFFTL-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498071 555417793 /nfs/dbraw/zinc/41/77/93/555417793.db2.gz COAHMIJRCUJRPB-RUZDIDTESA-N 0 0 468.569 5.398 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2c(C)cc(C)cc2C)cc1 ZINC000013498060 555417800 /nfs/dbraw/zinc/41/78/00/555417800.db2.gz BVJXHOJUGBYTFJ-NDEPHWFRSA-N 0 0 490.669 6.058 40 0 JKABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498085 555417805 /nfs/dbraw/zinc/41/78/05/555417805.db2.gz GLAMVUJRYWVBGG-RUZDIDTESA-N 0 0 494.588 5.050 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2)cc1 ZINC000013498058 555417838 /nfs/dbraw/zinc/41/78/38/555417838.db2.gz FLESDJAVGNWJFC-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498114 555418134 /nfs/dbraw/zinc/41/81/34/555418134.db2.gz OLNCJXCEQHXAIV-VWLOTQADSA-N 0 0 466.578 5.272 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC ZINC000013498111 555418149 /nfs/dbraw/zinc/41/81/49/555418149.db2.gz MPIXKPHMEGTHLQ-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c(OC)c1 ZINC000013498122 555418158 /nfs/dbraw/zinc/41/81/58/555418158.db2.gz NYJKOPYCATTXLL-SANMLTNESA-N 0 0 496.604 5.280 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498099 555418167 /nfs/dbraw/zinc/41/81/67/555418167.db2.gz MJSJTFOLHFKHBE-XMMPIXPASA-N 0 0 470.997 5.916 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498101 555418180 /nfs/dbraw/zinc/41/81/80/555418180.db2.gz LFTLXVBPUVDKSQ-XMMPIXPASA-N 0 0 454.542 5.402 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498108 555418192 /nfs/dbraw/zinc/41/81/92/555418192.db2.gz GTNREWACZYPMAN-SANMLTNESA-N 0 0 480.605 5.662 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498155 555418331 /nfs/dbraw/zinc/41/83/31/555418331.db2.gz ZSCPBRDRRGFGLP-AREMUKBSSA-N 0 0 480.605 5.267 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498123 555418391 /nfs/dbraw/zinc/41/83/91/555418391.db2.gz CQOKDNZQRRNDJA-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN CCc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498139 555418405 /nfs/dbraw/zinc/41/84/05/555418405.db2.gz NRQXJEZZSOORKP-AREMUKBSSA-N 0 0 464.606 5.825 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498162 555418639 /nfs/dbraw/zinc/41/86/39/555418639.db2.gz XDSJLSMJMVDHDW-VWLOTQADSA-N 0 0 450.579 5.259 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498165 555418668 /nfs/dbraw/zinc/41/86/68/555418668.db2.gz YXYWPISHCRUWNM-AREMUKBSSA-N 0 0 478.589 5.466 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498159 555418674 /nfs/dbraw/zinc/41/86/74/555418674.db2.gz MOGYYYQQYSGKQR-AREMUKBSSA-N 0 0 464.606 5.567 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498181 555418679 /nfs/dbraw/zinc/41/86/79/555418679.db2.gz OBLQOUNGBJGTPM-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1OC ZINC000013498179 555418684 /nfs/dbraw/zinc/41/86/84/555418684.db2.gz GDBJXLRPGMTQDV-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1cccs1 ZINC000013498212 555418891 /nfs/dbraw/zinc/41/88/91/555418891.db2.gz KMMUROXIMOALMR-MHZLTWQESA-N 0 0 460.643 5.470 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013498196 555418910 /nfs/dbraw/zinc/41/89/10/555418910.db2.gz YVHBDIQQNPSHNT-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1 ZINC000013498203 555418915 /nfs/dbraw/zinc/41/89/15/555418915.db2.gz RDMFPVSCXWKIPD-AREMUKBSSA-N 0 0 464.606 5.880 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498191 555418987 /nfs/dbraw/zinc/41/89/87/555418987.db2.gz OSJFPHORJBBVKU-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013498232 555419221 /nfs/dbraw/zinc/41/92/21/555419221.db2.gz YDNZCICMISXBNK-SANMLTNESA-N 0 0 490.625 5.219 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498292 555419556 /nfs/dbraw/zinc/41/95/56/555419556.db2.gz FCWZDAFVVDADGN-MHZLTWQESA-N 0 0 476.642 5.437 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013498261 555419573 /nfs/dbraw/zinc/41/95/73/555419573.db2.gz GJQPMMYQLQAWMP-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498307 555419766 /nfs/dbraw/zinc/41/97/66/555419766.db2.gz WTWINQOLHWHNLE-HHHXNRCGSA-N 0 0 474.626 5.635 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498323 555419784 /nfs/dbraw/zinc/41/97/84/555419784.db2.gz VHLBOSBAJGSFLC-AREMUKBSSA-N 0 0 462.615 5.441 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498348 555420095 /nfs/dbraw/zinc/42/00/95/555420095.db2.gz IIBJAFNIRRBILI-SANMLTNESA-N 0 0 462.615 5.128 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498361 555420158 /nfs/dbraw/zinc/42/01/58/555420158.db2.gz MRFPQCRQOKVHGQ-AREMUKBSSA-N 0 0 460.599 5.327 40 0 JKABRN 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Cc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000013499218 555429253 /nfs/dbraw/zinc/42/92/53/555429253.db2.gz FTCPCDRWZGWQKS-UHFFFAOYSA-N 0 0 481.017 5.498 40 0 JKABRN Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499194 555429258 /nfs/dbraw/zinc/42/92/58/555429258.db2.gz XZENPKRNNCSWKF-MUUNZHRXSA-N 0 0 498.675 5.954 40 0 JKABRN Cc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013499223 555429280 /nfs/dbraw/zinc/42/92/80/555429280.db2.gz OTNCOTYLWZPYFL-UHFFFAOYSA-N 0 0 481.017 5.498 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2c1 ZINC000013499209 555429305 /nfs/dbraw/zinc/42/93/05/555429305.db2.gz DSOLKGOHEQYZHR-UHFFFAOYSA-N 0 0 460.599 5.098 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499246 555429718 /nfs/dbraw/zinc/42/97/18/555429718.db2.gz RIDVFOKYGQQVAU-NDEPHWFRSA-N 0 0 498.675 6.126 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499235 555429727 /nfs/dbraw/zinc/42/97/27/555429727.db2.gz BNYZJYFYPHBTCU-HHHXNRCGSA-N 0 0 484.648 5.736 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499291 555430009 /nfs/dbraw/zinc/43/00/09/555430009.db2.gz BFXIZWXIIAFEMK-HHHXNRCGSA-N 0 0 484.648 5.524 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499431 555431203 /nfs/dbraw/zinc/43/12/03/555431203.db2.gz ZDJRBDRKNFWPQY-RUZDIDTESA-N 0 0 490.627 5.569 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499447 555431253 /nfs/dbraw/zinc/43/12/53/555431253.db2.gz BAYDCBWJEBBFAD-AREMUKBSSA-N 0 0 486.664 5.820 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499452 555431657 /nfs/dbraw/zinc/43/16/57/555431657.db2.gz AXTXJXQXZOSWOA-DEOSSOPVSA-N 0 0 476.625 5.413 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499471 555431836 /nfs/dbraw/zinc/43/18/36/555431836.db2.gz CVKWCOZUNIQKSY-MUUNZHRXSA-N 0 0 498.675 6.180 40 0 JKABRN CCC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499656 555433874 /nfs/dbraw/zinc/43/38/74/555433874.db2.gz KUYDXFWCLKKPPI-SANMLTNESA-N 0 0 496.615 5.316 40 0 JKABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4C(F)(F)F)n21)CC[C@@H](C)C3 ZINC000013499685 555434371 /nfs/dbraw/zinc/43/43/71/555434371.db2.gz FKPSIACIYLSXJP-LLVKDONJSA-N 0 0 491.564 5.522 40 0 JKABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nc(C(C)(C)C)cs4)n21)CC[C@@H](C)C3 ZINC000013499739 555434400 /nfs/dbraw/zinc/43/44/00/555434400.db2.gz XFOWVWZMJKKMIX-LLVKDONJSA-N 0 0 486.692 5.257 40 0 JKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4Cl)n21)CC[C@H](C)C3 ZINC000013499759 555434778 /nfs/dbraw/zinc/43/47/78/555434778.db2.gz JOUVXJROKLOWRE-LBPRGKRZSA-N 0 0 472.039 5.410 40 0 JKABRN 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ZINC000013500224 555438102 /nfs/dbraw/zinc/43/81/02/555438102.db2.gz UCKUNEJNJUMNIU-DEOSSOPVSA-N 0 0 493.055 5.631 40 0 JKABRN Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500220 555438156 /nfs/dbraw/zinc/43/81/56/555438156.db2.gz PMESSKJOZNKVDB-SANMLTNESA-N 0 0 486.664 5.594 40 0 JKABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500228 555438171 /nfs/dbraw/zinc/43/81/71/555438171.db2.gz FKAOUJCHCNUKTL-DEOSSOPVSA-N 0 0 476.600 5.117 40 0 JKABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500227 555438181 /nfs/dbraw/zinc/43/81/81/555438181.db2.gz FKAOUJCHCNUKTL-XMMPIXPASA-N 0 0 476.600 5.117 40 0 JKABRN Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500276 555438463 /nfs/dbraw/zinc/43/84/63/555438463.db2.gz VCRCWDGLUAXMRC-VWLOTQADSA-N 0 0 472.637 5.020 40 0 JKABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500268 555438473 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CCN(Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000013561789 555495172 /nfs/dbraw/zinc/49/51/72/555495172.db2.gz BWRIJHIOZBJMGU-QHCPKHFHSA-N 0 0 469.486 5.491 40 0 JKABRN CCOc1ccc2nc(Cl)c(CN(C(=O)c3cc(OC)cc(OC)c3)C3CCC(C)CC3)cc2c1 ZINC000013562033 555495883 /nfs/dbraw/zinc/49/58/83/555495883.db2.gz BXTSKJGMVMTKAI-UHFFFAOYSA-N 0 0 497.035 6.525 40 0 JKABRN CCc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3ccc(C(C)(C)C)cc3)cc2c1 ZINC000013562057 555495952 /nfs/dbraw/zinc/49/59/52/555495952.db2.gz VSCAJLNRZMSOEV-UHFFFAOYSA-N 0 0 485.071 7.899 40 0 JKABRN CCc1ccc2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)c3ccccc3OC)cc2c1 ZINC000013562023 555495959 /nfs/dbraw/zinc/49/59/59/555495959.db2.gz FBFSIUCSFWLBRJ-UHFFFAOYSA-N 0 0 493.434 6.998 40 0 JKABRN C[C@@H]1CCc2cc(F)ccc2N1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1 ZINC000013562261 555496528 /nfs/dbraw/zinc/49/65/28/555496528.db2.gz DWKFOFJDUVXMCF-QGZVFWFLSA-N 0 0 484.040 6.918 40 0 JKABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1 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5.646 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cc2c(C)n[nH]c2C)cc1 ZINC000014269546 555759482 /nfs/dbraw/zinc/75/94/82/555759482.db2.gz XYBNNGIXFDVFBC-UHFFFAOYSA-N 0 0 463.390 5.060 40 0 JKABRN CCCCc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000014269760 555760082 /nfs/dbraw/zinc/76/00/82/555760082.db2.gz ZKVTYKDFRCCVSX-SDNWHVSQSA-N 0 0 473.425 7.122 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000014269732 555760132 /nfs/dbraw/zinc/76/01/32/555760132.db2.gz SKKZBLMLYJOPOV-UHFFFAOYSA-N 0 0 473.554 5.437 40 0 JKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000011115731 555760211 /nfs/dbraw/zinc/76/02/11/555760211.db2.gz YVORBCGXMSSXJB-SFTDATJTSA-N 0 0 472.408 5.274 40 0 JKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(Br)cc2C)cc1 ZINC000011116772 555760216 /nfs/dbraw/zinc/76/02/16/555760216.db2.gz HNJLLJYHJQTTCE-RTWAWAEBSA-N 0 0 472.408 5.274 40 0 JKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000011115049 555760217 /nfs/dbraw/zinc/76/02/17/555760217.db2.gz SVDXQQFSEAOXSG-VQTJNVASSA-N 0 0 481.927 5.875 40 0 JKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1 ZINC000014269856 555760334 /nfs/dbraw/zinc/76/03/34/555760334.db2.gz QUNCUAGMBSKPFZ-UHFFFAOYSA-N 0 0 451.551 6.337 40 0 JKABRN Cc1c(NC(=S)NC(=O)c2cccs2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 ZINC000014269805 555760336 /nfs/dbraw/zinc/76/03/36/555760336.db2.gz XRDHIOJNRLXJNV-UHFFFAOYSA-N 0 0 462.383 6.298 40 0 JKABRN CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 ZINC000014269849 555760342 /nfs/dbraw/zinc/76/03/42/555760342.db2.gz DSKRKCQDXULKCG-UHFFFAOYSA-N 0 0 452.761 5.380 40 0 JKABRN Cc1cc(C)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 ZINC000014269790 555760344 /nfs/dbraw/zinc/76/03/44/555760344.db2.gz OZXAWOBLMQLRGY-RMKNXTFCSA-N 0 0 459.398 6.705 40 0 JKABRN Cc1c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cccc1-c1nc2ccccc2o1 ZINC000014269813 555760350 /nfs/dbraw/zinc/76/03/50/555760350.db2.gz HMZJFRFTGVBRMO-UHFFFAOYSA-N 0 0 471.969 6.737 40 0 JKABRN O=C(NC(=S)Nc1ccccc1I)c1cccc2c(Cl)cccc12 ZINC000014269825 555760351 /nfs/dbraw/zinc/76/03/51/555760351.db2.gz WTHFNUZWKIQPQM-UHFFFAOYSA-N 0 0 466.731 5.225 40 0 JKABRN Cc1c(Cl)cccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014269780 555760359 /nfs/dbraw/zinc/76/03/59/555760359.db2.gz AFJOBUSTFWLCIP-JXMROGBWSA-N 0 0 465.789 6.742 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)n2)cc1 ZINC000014269845 555760375 /nfs/dbraw/zinc/76/03/75/555760375.db2.gz KQRGGLNCTVODFM-UHFFFAOYSA-N 0 0 453.976 5.752 40 0 JKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000011117219 555760442 /nfs/dbraw/zinc/76/04/42/555760442.db2.gz TVIRKXLMMAIDLM-NHCUHLMSSA-N 0 0 472.408 5.274 40 0 JKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000014269888 555760673 /nfs/dbraw/zinc/76/06/73/555760673.db2.gz MRTPUYUARXLNDB-UHFFFAOYSA-N 0 0 470.381 6.491 40 0 JKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4cccc5ccccc54)nc3c2)cc1 ZINC000014269874 555760693 /nfs/dbraw/zinc/76/06/93/555760693.db2.gz SGSWZACKGRXATG-UHFFFAOYSA-N 0 0 451.555 5.263 40 0 JKABRN COc1c(C(=O)NC(=S)Nc2cc(C)cc(C)c2O)cc2ccccc2c1Br ZINC000014269998 555760858 /nfs/dbraw/zinc/76/08/58/555760858.db2.gz WOKFTOUKQAJMCL-UHFFFAOYSA-N 0 0 459.365 5.060 40 0 JKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)c(F)c1F ZINC000014270059 555760942 /nfs/dbraw/zinc/76/09/42/555760942.db2.gz INGVRQFQDJXYBO-UHFFFAOYSA-N 0 0 461.651 5.339 40 0 JKABRN CCOc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000014270088 555761244 /nfs/dbraw/zinc/76/12/44/555761244.db2.gz ASXNCWSRQOVTOY-CSKARUKUSA-N 0 0 461.370 6.179 40 0 JKABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3O)oc2c(C)c1 ZINC000014270169 555761419 /nfs/dbraw/zinc/76/14/19/555761419.db2.gz KRXDBDGAFBFADC-UHFFFAOYSA-N 0 0 465.962 5.906 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 ZINC000014270192 555761474 /nfs/dbraw/zinc/76/14/74/555761474.db2.gz ZAEGOXNRTVPLNY-UHFFFAOYSA-N 0 0 461.543 5.261 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)cc3O)oc2c1 ZINC000014270138 555761483 /nfs/dbraw/zinc/76/14/83/555761483.db2.gz DMTLOYYTVXLOPM-UHFFFAOYSA-N 0 0 472.353 5.942 40 0 JKABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3O)oc2c(C)c1 ZINC000014270176 555761507 /nfs/dbraw/zinc/76/15/07/555761507.db2.gz VCQHSOXCMLYNNN-UHFFFAOYSA-N 0 0 459.571 6.067 40 0 JKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5ccccc5c4)cc3O)nc2c1 ZINC000014270210 555761543 /nfs/dbraw/zinc/76/15/43/555761543.db2.gz JHBBOJQPICCAQP-UHFFFAOYSA-N 0 0 467.550 6.043 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)c1 ZINC000014270148 555761588 /nfs/dbraw/zinc/76/15/88/555761588.db2.gz RZQMITOFYFJKNA-UHFFFAOYSA-N 0 0 461.543 5.424 40 0 JKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc5ccccc5c4)ccc3O)oc2c(C)c1 ZINC000014270290 555762183 /nfs/dbraw/zinc/76/21/83/555762183.db2.gz BPAQLAKREGMJOC-UHFFFAOYSA-N 0 0 467.550 6.097 40 0 JKABRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)C=Cc1ccc(C(C)C)cc1 ZINC000014270535 555762854 /nfs/dbraw/zinc/76/28/54/555762854.db2.gz REFCAQSPPVXDTO-RVDMUPIBSA-N 0 0 454.599 6.188 40 0 JKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000014270579 555763068 /nfs/dbraw/zinc/76/30/68/555763068.db2.gz ZQNLAXREBYILRL-UHFFFAOYSA-N 0 0 457.342 5.632 40 0 JKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc2ccccc2c1 ZINC000014270563 555763074 /nfs/dbraw/zinc/76/30/74/555763074.db2.gz MNBOCZXQNFMHFK-UHFFFAOYSA-N 0 0 456.958 6.163 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000014270549 555763088 /nfs/dbraw/zinc/76/30/88/555763088.db2.gz XITVMZWKOUTXDB-UHFFFAOYSA-N 0 0 464.978 5.799 40 0 JKABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000014270560 555763094 /nfs/dbraw/zinc/76/30/94/555763094.db2.gz YQRURVKRUUFMQM-UHFFFAOYSA-N 0 0 463.006 6.308 40 0 JKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)oc2c1 ZINC000014270600 555763097 /nfs/dbraw/zinc/76/30/97/555763097.db2.gz ZVPUYCAAHSUOQB-UHFFFAOYSA-N 0 0 470.381 6.545 40 0 JKABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(C)cc1Cl ZINC000014270667 555763332 /nfs/dbraw/zinc/76/33/32/555763332.db2.gz ZCQIMGJMQXHDRU-UHFFFAOYSA-N 0 0 451.935 5.592 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 ZINC000014270691 555763338 /nfs/dbraw/zinc/76/33/38/555763338.db2.gz KGNIHSOGTSQRCL-UHFFFAOYSA-N 0 0 473.598 6.417 40 0 JKABRN CC(C)c1ccc(C=CC(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000014270657 555763350 /nfs/dbraw/zinc/76/33/50/555763350.db2.gz ODOSUAXPABFEKX-LFIBNONCSA-N 0 0 455.583 5.822 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 ZINC000014270693 555763384 /nfs/dbraw/zinc/76/33/84/555763384.db2.gz WYBKUBUAWIMKEK-UHFFFAOYSA-N 0 0 459.571 6.027 40 0 JKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc4c(Br)cccc34)nc21 ZINC000014270813 555763865 /nfs/dbraw/zinc/76/38/65/555763865.db2.gz AXFCUWNYGZMYMT-UHFFFAOYSA-N 0 0 470.417 5.956 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)c(C)c1 ZINC000014270888 555764147 /nfs/dbraw/zinc/76/41/47/555764147.db2.gz XQALHFVOYAVEHX-UHFFFAOYSA-N 0 0 473.598 6.273 40 0 JKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000014270939 555764357 /nfs/dbraw/zinc/76/43/57/555764357.db2.gz RUPSXQYSYFWREO-UHFFFAOYSA-N 0 0 463.994 5.633 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000014270973 555764430 /nfs/dbraw/zinc/76/44/30/555764430.db2.gz XBEQSLQFKDXXKY-UHFFFAOYSA-N 0 0 461.566 5.292 40 0 JKABRN O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000014271093 555764965 /nfs/dbraw/zinc/76/49/65/555764965.db2.gz HJUQXTLYMDJORC-UHFFFAOYSA-N 0 0 457.285 5.982 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)ccc1NC(=O)c1cccs1 ZINC000014271164 555765172 /nfs/dbraw/zinc/76/51/72/555765172.db2.gz VSDNLESCNXNPRR-UHFFFAOYSA-N 0 0 459.980 5.098 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1Br ZINC000014271131 555765194 /nfs/dbraw/zinc/76/51/94/555765194.db2.gz WSVCZDNIWKQURE-UHFFFAOYSA-N 0 0 467.694 5.257 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000014271234 555765482 /nfs/dbraw/zinc/76/54/82/555765482.db2.gz QCSRLYXUYKJESX-UHFFFAOYSA-N 0 0 461.587 5.174 40 0 JKABRN COc1cc(NC(=S)NC(=O)C=Cc2ccccc2)ccc1NC(=O)c1ccccc1Cl ZINC000014271198 555765484 /nfs/dbraw/zinc/76/54/84/555765484.db2.gz KRCDDFVNZHFRIZ-SDNWHVSQSA-N 0 0 465.962 5.127 40 0 JKABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000014271258 555765501 /nfs/dbraw/zinc/76/55/01/555765501.db2.gz RNTAXNULELMANM-UHFFFAOYSA-N 0 0 473.554 5.599 40 0 JKABRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000014271294 555765773 /nfs/dbraw/zinc/76/57/73/555765773.db2.gz OAODGYHNTWELJZ-UHFFFAOYSA-N 0 0 466.415 5.929 40 0 JKABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000014271301 555765781 /nfs/dbraw/zinc/76/57/81/555765781.db2.gz MYQLDROCIOACHA-UHFFFAOYSA-N 0 0 467.978 5.394 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3CC)nnc2-c2ccccc2)cc1 ZINC000011197338 555765957 /nfs/dbraw/zinc/76/59/57/555765957.db2.gz AJUPHZCEQHXXMC-UHFFFAOYSA-N 0 0 458.587 5.626 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000014271392 555766027 /nfs/dbraw/zinc/76/60/27/555766027.db2.gz JVZBDBQOPVREMX-UHFFFAOYSA-N 0 0 453.567 5.378 40 0 JKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 ZINC000014271390 555766032 /nfs/dbraw/zinc/76/60/32/555766032.db2.gz DGFNFCVZWWHNKE-UHFFFAOYSA-N 0 0 458.539 5.212 40 0 JKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000014271879 555767952 /nfs/dbraw/zinc/76/79/52/555767952.db2.gz SNITXBBORBMMEZ-UHFFFAOYSA-N 0 0 464.034 6.370 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000014271910 555768213 /nfs/dbraw/zinc/76/82/13/555768213.db2.gz DHHHYQGHDXCCRF-ZDUSSCGKSA-N 0 0 452.407 5.508 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C ZINC000014271961 555768283 /nfs/dbraw/zinc/76/82/83/555768283.db2.gz CTCKVERHGVQMAH-JXMROGBWSA-N 0 0 464.319 5.621 40 0 JKABRN Cc1ccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1C ZINC000014272045 555768491 /nfs/dbraw/zinc/76/84/91/555768491.db2.gz WFQKUSMWQIYVGC-UHFFFAOYSA-N 0 0 457.382 6.904 40 0 JKABRN CCCOc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000014272017 555768497 /nfs/dbraw/zinc/76/84/97/555768497.db2.gz CVPSCZINGGGDDY-UHFFFAOYSA-N 0 0 457.382 7.311 40 0 JKABRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(Br)cc1 ZINC000014272127 555768752 /nfs/dbraw/zinc/76/87/52/555768752.db2.gz PLIKKFLHJFQEAK-UHFFFAOYSA-N 0 0 462.130 6.816 40 0 JKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1I ZINC000014272069 555768756 /nfs/dbraw/zinc/76/87/56/555768756.db2.gz SOBGTAQBBNUNPH-UHFFFAOYSA-N 0 0 470.335 6.129 40 0 JKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000014272075 555768818 /nfs/dbraw/zinc/76/88/18/555768818.db2.gz CKYRITWMWLKSOJ-UHFFFAOYSA-N 0 0 457.382 7.066 40 0 JKABRN CCCC(=O)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 ZINC000014272060 555768820 /nfs/dbraw/zinc/76/88/20/555768820.db2.gz CSFNVTQFHFRLJB-UHFFFAOYSA-N 0 0 454.187 6.227 40 0 JKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 ZINC000014272174 555769043 /nfs/dbraw/zinc/76/90/43/555769043.db2.gz SLSYHDSAVRVHKT-UHFFFAOYSA-N 0 0 471.738 6.480 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000014272150 555769063 /nfs/dbraw/zinc/76/90/63/555769063.db2.gz WRWUZUPFLQKXPA-UHFFFAOYSA-N 0 0 461.732 6.781 40 0 JKABRN Cc1ccc2oc(-c3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3Cl)nc2c1 ZINC000014272167 555769086 /nfs/dbraw/zinc/76/90/86/555769086.db2.gz QVBWWXLGUWZMAE-UHFFFAOYSA-N 0 0 455.341 6.906 40 0 JKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)C(c4ccccc4)c4ccccc4)c3)oc2c1 ZINC000014272199 555769088 /nfs/dbraw/zinc/76/90/88/555769088.db2.gz YFICADMJQLWPCQ-UHFFFAOYSA-N 0 0 452.941 7.227 40 0 JKABRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1I ZINC000014272268 555769390 /nfs/dbraw/zinc/76/93/90/555769390.db2.gz GUDZAPBNLDXVES-UHFFFAOYSA-N 0 0 454.267 5.029 40 0 JKABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1I ZINC000014272306 555769402 /nfs/dbraw/zinc/76/94/02/555769402.db2.gz UNUBMZOEQPVNKZ-UHFFFAOYSA-N 0 0 470.266 5.360 40 0 JKABRN CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)c4ccccc4)c2)C3=O)cc1 ZINC000020310878 555769551 /nfs/dbraw/zinc/76/95/51/555769551.db2.gz GEWLACLIYGFBTP-UHFFFAOYSA-N 0 0 488.499 5.173 40 0 JKABRN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(C5CCCCC5)cc4)c3C)oc2c(C)c1 ZINC000014272376 555769632 /nfs/dbraw/zinc/76/96/32/555769632.db2.gz BCVULJXNGDMNJA-UHFFFAOYSA-N 0 0 468.597 7.485 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000014272326 555769674 /nfs/dbraw/zinc/76/96/74/555769674.db2.gz QMKYBGHUJFSFCT-UHFFFAOYSA-N 0 0 464.949 6.606 40 0 JKABRN Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccc(C5CCCCC5)cc4)c3)oc2c(C)c1 ZINC000014272380 555769710 /nfs/dbraw/zinc/76/97/10/555769710.db2.gz NPGHHOMQLBSQJP-UHFFFAOYSA-N 0 0 468.597 7.485 40 0 JKABRN COc1ccc(-c2csc(NC(=O)COc3ccc(C4CCCCC4)cc3)n2)cc1OC ZINC000014272488 555770000 /nfs/dbraw/zinc/77/00/00/555770000.db2.gz NUBBFFROKYUEKO-UHFFFAOYSA-N 0 0 452.576 5.893 40 0 JKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000014272462 555770003 /nfs/dbraw/zinc/77/00/03/555770003.db2.gz IVQZVCOPOUEOPT-UHFFFAOYSA-N 0 0 451.773 6.022 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4)cc3)nc2c1 ZINC000020314202 555770084 /nfs/dbraw/zinc/77/00/84/555770084.db2.gz HVEQHUGIQDKDGX-KRWDZBQOSA-N 0 0 459.571 5.900 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(OC)c4)cc3)nc2c1 ZINC000020314134 555770102 /nfs/dbraw/zinc/77/01/02/555770102.db2.gz XTYAKGCNAFXLFX-MRXNPFEDSA-N 0 0 459.571 6.144 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000020317491 555770108 /nfs/dbraw/zinc/77/01/08/555770108.db2.gz IOKJUTZEKFZPCR-LNKIKWGQSA-N 0 0 491.396 5.845 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000014272642 555770469 /nfs/dbraw/zinc/77/04/69/555770469.db2.gz LWODRDSQCIELBF-UHFFFAOYSA-N 0 0 465.695 6.855 40 0 JKABRN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000014272615 555770517 /nfs/dbraw/zinc/77/05/17/555770517.db2.gz PFMWBUWBSSWXFM-UHFFFAOYSA-N 0 0 457.711 5.928 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 ZINC000014272738 555770714 /nfs/dbraw/zinc/77/07/14/555770714.db2.gz MWFZRDAAURJGQH-UHFFFAOYSA-N 0 0 450.926 5.187 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3n2)cc1 ZINC000014272719 555770745 /nfs/dbraw/zinc/77/07/45/555770745.db2.gz XFEGGYNAPPHVIZ-UHFFFAOYSA-N 0 0 455.345 5.859 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 ZINC000014272749 555770985 /nfs/dbraw/zinc/77/09/85/555770985.db2.gz HMWXYJFYEZZQPS-UHFFFAOYSA-N 0 0 456.590 6.302 40 0 JKABRN COc1cc2ccccc2cc1C(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000014272753 555771042 /nfs/dbraw/zinc/77/10/42/555771042.db2.gz DJFYMRNFJGOZRM-UHFFFAOYSA-N 0 0 450.542 6.266 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)c(C)c1 ZINC000014272810 555771111 /nfs/dbraw/zinc/77/11/11/555771111.db2.gz ZEVJMEGPFSFQRP-UHFFFAOYSA-N 0 0 461.997 6.098 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000014272877 555771417 /nfs/dbraw/zinc/77/14/17/555771417.db2.gz NQVBLHCYEJEABJ-UHFFFAOYSA-N 0 0 453.945 5.779 40 0 JKABRN CC[C@H](C)c1ccc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)cc1 ZINC000014272859 555771389 /nfs/dbraw/zinc/77/13/89/555771389.db2.gz OAZYYQHNUJKHNE-RSPDNQDQSA-N 0 0 467.201 6.386 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000014272926 555771544 /nfs/dbraw/zinc/77/15/44/555771544.db2.gz MUKWRQHFASVBLO-PKNBQFBNSA-N 0 0 458.341 6.862 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000014272967 555771594 /nfs/dbraw/zinc/77/15/94/555771594.db2.gz UZANOTKRRWEFTJ-ZZXKWVIFSA-N 0 0 460.666 7.578 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000014272962 555771598 /nfs/dbraw/zinc/77/15/98/555771598.db2.gz VERONLWWEOKYLK-XBXARRHUSA-N 0 0 460.666 7.578 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC ZINC000014273050 555771913 /nfs/dbraw/zinc/77/19/13/555771913.db2.gz DKAWFUQBCTVQRX-UHFFFAOYSA-N 0 0 461.345 6.643 40 0 JKABRN COc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)ccc1NC(=O)c1cccs1 ZINC000014272998 555771957 /nfs/dbraw/zinc/77/19/57/555771957.db2.gz OPZDQUVGTXQAPL-UHFFFAOYSA-N 0 0 452.919 6.175 40 0 JKABRN CCCCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c1 ZINC000014273098 555772131 /nfs/dbraw/zinc/77/21/31/555772131.db2.gz LXGTZLAGYMRVMS-UHFFFAOYSA-N 0 0 455.352 5.992 40 0 JKABRN CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000014273096 555772137 /nfs/dbraw/zinc/77/21/37/555772137.db2.gz DXLQIOXIZNFPQZ-JLHYYAGUSA-N 0 0 457.357 7.034 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(Cl)c1N1CCCC1 ZINC000014273144 555772152 /nfs/dbraw/zinc/77/21/52/555772152.db2.gz PTYMWROSVDQAFJ-VQHVLOKHSA-N 0 0 461.776 7.159 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1Cl ZINC000014273086 555772177 /nfs/dbraw/zinc/77/21/77/555772177.db2.gz PKMICLJZXARJHM-UHFFFAOYSA-N 0 0 467.736 6.126 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000014273182 555772436 /nfs/dbraw/zinc/77/24/36/555772436.db2.gz QOEDTZSZUSRFQD-UHFFFAOYSA-N 0 0 453.538 6.525 40 0 JKABRN COc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000014273200 555772442 /nfs/dbraw/zinc/77/24/42/555772442.db2.gz HALXXDXAALKKKI-UHFFFAOYSA-N 0 0 463.917 5.918 40 0 JKABRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)c3)nn12 ZINC000014273225 555772458 /nfs/dbraw/zinc/77/24/58/555772458.db2.gz RLXXAZFZHQYQRR-UHFFFAOYSA-N 0 0 463.950 5.889 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1Cl ZINC000014273155 555772498 /nfs/dbraw/zinc/77/24/98/555772498.db2.gz FGDWJHBBWHFYJT-UHFFFAOYSA-N 0 0 462.204 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CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3cccc(Cl)c3)cc2)cc1 ZINC000020328212 555774257 /nfs/dbraw/zinc/77/42/57/555774257.db2.gz LHKYPPLBMMIRKE-QHCPKHFHSA-N 0 0 488.993 5.336 40 0 JKABRN O=C(Nc1cccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1)c1cc2ccccc2o1 ZINC000014273803 555774541 /nfs/dbraw/zinc/77/45/41/555774541.db2.gz RYLOVJBXLAFHNU-UHFFFAOYSA-N 0 0 484.364 6.119 40 0 JKABRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1Cl ZINC000014273864 555774823 /nfs/dbraw/zinc/77/48/23/555774823.db2.gz FTZIOZFJJAOJCX-UHFFFAOYSA-N 0 0 494.016 6.085 40 0 JKABRN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1)c1cc2ccccc2o1 ZINC000014273817 555774832 /nfs/dbraw/zinc/77/48/32/555774832.db2.gz LJNOXJYVFRQCOA-UHFFFAOYSA-N 0 0 484.364 6.119 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1Cl ZINC000014273870 555774845 /nfs/dbraw/zinc/77/48/45/555774845.db2.gz PCCSJCHHVNKWAN-UHFFFAOYSA-N 0 0 479.945 5.474 40 0 JKABRN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(Br)cc2)c1)c1cc2ccccc2o1 ZINC000014273842 555774847 /nfs/dbraw/zinc/77/48/47/555774847.db2.gz IPIBKWMSTKGXIR-UHFFFAOYSA-N 0 0 494.370 5.574 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1 ZINC000014273899 555775068 /nfs/dbraw/zinc/77/50/68/555775068.db2.gz NFGMSICGTWAWAQ-UHFFFAOYSA-N 0 0 486.593 6.074 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nn4c(CC)nnc4s3)cc2C)c1 ZINC000014273911 555775144 /nfs/dbraw/zinc/77/51/44/555775144.db2.gz SOYKJUPWVMHLCN-UHFFFAOYSA-N 0 0 494.646 5.029 40 0 JKABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000014273994 555775357 /nfs/dbraw/zinc/77/53/57/555775357.db2.gz YIUFEOWCILODPB-UHFFFAOYSA-N 0 0 490.584 6.562 40 0 JKABRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nn12 ZINC000014274021 555775359 /nfs/dbraw/zinc/77/53/59/555775359.db2.gz VMATVEWHFYPHBL-UHFFFAOYSA-N 0 0 494.989 5.201 40 0 JKABRN CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3)nc2c1 ZINC000014274015 555775367 /nfs/dbraw/zinc/77/53/67/555775367.db2.gz PQNKQPUTBPNESC-UHFFFAOYSA-N 0 0 478.017 6.005 40 0 JKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3cccc(C)c3C)cc2)cc1 ZINC000020329955 555775557 /nfs/dbraw/zinc/77/55/57/555775557.db2.gz OZNQBLRGEJTAHO-XMMPIXPASA-N 0 0 482.602 5.299 40 0 JKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000014274065 555775602 /nfs/dbraw/zinc/77/56/02/555775602.db2.gz QXFOHXIMQBGXPS-UHFFFAOYSA-N 0 0 481.986 5.515 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(OC)cc1Cl ZINC000014274048 555775641 /nfs/dbraw/zinc/77/56/41/555775641.db2.gz KERVBNFWBFCJIO-UHFFFAOYSA-N 0 0 479.783 5.400 40 0 JKABRN Cc1c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000014274067 555775652 /nfs/dbraw/zinc/77/56/52/555775652.db2.gz RWQKDZFFSVQBKW-UHFFFAOYSA-N 0 0 479.945 5.355 40 0 JKABRN C[C@H](NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000014274133 555775933 /nfs/dbraw/zinc/77/59/33/555775933.db2.gz SVVISQXJMJUXNO-ZBNOLQPOSA-N 0 0 477.457 6.463 40 0 JKABRN 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CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000014274949 555778588 /nfs/dbraw/zinc/77/85/88/555778588.db2.gz VSQJYLYJWUTGBT-MRZGDXHCSA-N 0 0 489.424 6.999 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(N2CCCC2)cc1 ZINC000014274958 555778604 /nfs/dbraw/zinc/77/86/04/555778604.db2.gz HCSXMVOMMMGTRR-CSKARUKUSA-N 0 0 486.424 6.380 40 0 JKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c(F)c1F ZINC000014274917 555778702 /nfs/dbraw/zinc/77/87/02/555778702.db2.gz BAJJPGNPJVRSFF-UHFFFAOYSA-N 0 0 489.450 5.495 40 0 JKABRN COc1ccc(Cl)cc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000014274972 555778974 /nfs/dbraw/zinc/77/89/74/555778974.db2.gz FOXJLEMLWJYZGR-QPJJXVBHSA-N 0 0 481.788 6.442 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1Cl ZINC000014275015 555779008 /nfs/dbraw/zinc/77/90/08/555779008.db2.gz OWKCFVAEOSEFEK-UHFFFAOYSA-N 0 0 481.961 5.688 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)cc3O)oc2c1 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O=C(NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(OCc2ccccc2)cc1 ZINC000014275762 555781772 /nfs/dbraw/zinc/78/17/72/555781772.db2.gz KTVJTFBSNJBOKQ-UHFFFAOYSA-N 0 0 497.555 5.265 40 0 JKABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 ZINC000014275769 555781797 /nfs/dbraw/zinc/78/17/97/555781797.db2.gz DXDVJCVBGQEXHJ-UHFFFAOYSA-N 0 0 479.993 5.080 40 0 JKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 ZINC000014275828 555782020 /nfs/dbraw/zinc/78/20/20/555782020.db2.gz YQTSSUHYYMOCIQ-AWNIVKPZSA-N 0 0 490.032 6.032 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)cc3n2)c(C)c1 ZINC000014275854 555782071 /nfs/dbraw/zinc/78/20/71/555782071.db2.gz DZPZRHQYRHFMPR-UHFFFAOYSA-N 0 0 490.608 5.149 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000014275874 555782079 /nfs/dbraw/zinc/78/20/79/555782079.db2.gz DPJYJGFZRDTNQJ-UHFFFAOYSA-N 0 0 477.565 5.030 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1OC(F)F 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O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014276271 555783447 /nfs/dbraw/zinc/78/34/47/555783447.db2.gz LMPMLKDMBHWHCU-UHFFFAOYSA-N 0 0 476.385 5.217 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)o2)cc1Cl ZINC000014276569 555784017 /nfs/dbraw/zinc/78/40/17/555784017.db2.gz WKSHZYKPKRBRNW-NSHDSACASA-N 0 0 488.034 5.320 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1 ZINC000014276528 555784036 /nfs/dbraw/zinc/78/40/36/555784036.db2.gz PILQWQVUNNOPOU-MRXNPFEDSA-N 0 0 487.691 5.304 40 0 JKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000014277142 555785121 /nfs/dbraw/zinc/78/51/21/555785121.db2.gz IKAGSYLKIBZLHB-UHFFFAOYSA-N 0 0 490.648 5.398 40 0 JKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000014277327 555785645 /nfs/dbraw/zinc/78/56/45/555785645.db2.gz JXNWPILSNSCCOH-HNNXBMFYSA-N 0 0 488.440 6.759 40 0 JKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000014277341 555785686 /nfs/dbraw/zinc/78/56/86/555785686.db2.gz SFZBCOJZOXRGOM-QRURKXGXSA-N 0 0 480.033 6.505 40 0 JKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000014277332 555785711 /nfs/dbraw/zinc/78/57/11/555785711.db2.gz BRTXLJYKNVBOIF-HNNXBMFYSA-N 0 0 488.440 6.759 40 0 JKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000014277324 555785739 /nfs/dbraw/zinc/78/57/39/555785739.db2.gz JXNWPILSNSCCOH-OAHLLOKOSA-N 0 0 488.440 6.759 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000014277508 555786019 /nfs/dbraw/zinc/78/60/19/555786019.db2.gz OSQRKUUXJKSZTB-YRNVUSSQSA-N 0 0 499.817 7.040 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1Cl ZINC000014277431 555786028 /nfs/dbraw/zinc/78/60/28/555786028.db2.gz KEMWEBQOFNQJHY-UHFFFAOYSA-N 0 0 476.747 6.484 40 0 JKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1Cl ZINC000014277628 555786248 /nfs/dbraw/zinc/78/62/48/555786248.db2.gz PTUKROMKAHXNJJ-UHFFFAOYSA-N 0 0 491.827 7.558 40 0 JKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000014277725 555786623 /nfs/dbraw/zinc/78/66/23/555786623.db2.gz LZHFEVJGTIHGRN-UHFFFAOYSA-N 0 0 490.774 6.793 40 0 JKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000014277662 555786631 /nfs/dbraw/zinc/78/66/31/555786631.db2.gz IEFMGKBVTCRGTE-UHFFFAOYSA-N 0 0 499.806 8.436 40 0 JKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014277647 555786663 /nfs/dbraw/zinc/78/66/63/555786663.db2.gz MOYIPMRIGALLDL-UHFFFAOYSA-N 0 0 479.388 8.091 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000014277685 555786678 /nfs/dbraw/zinc/78/66/78/555786678.db2.gz CBSIOCYESRVDGW-ZRDIBKRKSA-N 0 0 474.347 7.449 40 0 JKABRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014277752 555786866 /nfs/dbraw/zinc/78/68/66/555786866.db2.gz SYJHMXYVKLURLU-UHFFFAOYSA-N 0 0 483.738 7.967 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)ccc3Cl)oc2c1 ZINC000014277817 555786894 /nfs/dbraw/zinc/78/68/94/555786894.db2.gz HWUIVWDZKSVLBS-UHFFFAOYSA-N 0 0 497.765 8.276 40 0 JKABRN COc1c(F)c(F)c(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)c(F)c1F ZINC000014277843 555787215 /nfs/dbraw/zinc/78/72/15/555787215.db2.gz JRXJAACISOYLTM-UHFFFAOYSA-N 0 0 478.829 6.582 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014278026 555787345 /nfs/dbraw/zinc/78/73/45/555787345.db2.gz IHUVGEYSOZTQMP-UHFFFAOYSA-N 0 0 486.955 7.793 40 0 JKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)c3)nc2c1 ZINC000014278061 555787350 /nfs/dbraw/zinc/78/73/50/555787350.db2.gz NTVFJHUGRLPAJC-UHFFFAOYSA-N 0 0 477.347 7.931 40 0 JKABRN Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5cc(Cl)cc(Cl)c5)o4)c3)nc2c1 ZINC000014277987 555787384 /nfs/dbraw/zinc/78/73/84/555787384.db2.gz XGKXCPVAHNOBTI-JXMROGBWSA-N 0 0 489.358 8.022 40 0 JKABRN COc1cc2sc(NC(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)nc2cc1Cl ZINC000014278128 555787750 /nfs/dbraw/zinc/78/77/50/555787750.db2.gz KOYPWCVBBOPPGO-UHFFFAOYSA-N 0 0 480.200 6.553 40 0 JKABRN COc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)c3)nc2c1 ZINC000014278101 555787757 /nfs/dbraw/zinc/78/77/57/555787757.db2.gz YJZOFFUHVVDHRA-UHFFFAOYSA-N 0 0 479.319 7.323 40 0 JKABRN Cc1ccc(C(=O)/N=c2\scc(-c3ccc(C)cc3)n2-c2ccc(Br)cc2)cc1 ZINC000011565623 555787813 /nfs/dbraw/zinc/78/78/13/555787813.db2.gz FUVBEXOILMDZSC-LCUIJRPUSA-N 0 0 463.400 6.326 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cc6ccccc6oc5=O)cc4)ccc3o2)cc1 ZINC000014278226 555787964 /nfs/dbraw/zinc/78/79/64/555787964.db2.gz QMASKTRXQQFRAJ-UHFFFAOYSA-N 0 0 488.499 6.529 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4cc(Br)ccc4OC)ccc3o2)cc1 ZINC000014278223 555787974 /nfs/dbraw/zinc/78/79/74/555787974.db2.gz HOODUKVDIVENFZ-LFYBBSHMSA-N 0 0 479.330 5.926 40 0 JKABRN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)COc4ccc(C5CCCCC5)cc4)ccc3o2)cc1 ZINC000014278195 555787989 /nfs/dbraw/zinc/78/79/89/555787989.db2.gz XAXFGBIEZCRJEQ-UHFFFAOYSA-N 0 0 482.624 7.858 40 0 JKABRN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)O[C@@H]2C(=O)N1c1ccccc1 ZINC000011582386 555788153 /nfs/dbraw/zinc/78/81/53/555788153.db2.gz LFKSTPLPVXVNTB-HKBOAZHASA-N 0 0 473.743 5.698 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000014278332 555788202 /nfs/dbraw/zinc/78/82/02/555788202.db2.gz GCGWVBOWBXYLOS-JXMROGBWSA-N 0 0 493.321 7.853 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000014278354 555788286 /nfs/dbraw/zinc/78/82/86/555788286.db2.gz LCHLBCCAYQOJMO-UHFFFAOYSA-N 0 0 482.150 7.369 40 0 JKABRN COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(F)c1F ZINC000014278339 555788294 /nfs/dbraw/zinc/78/82/94/555788294.db2.gz WAHCENHPQOMENU-UHFFFAOYSA-N 0 0 495.226 6.075 40 0 JKABRN COc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000020411224 555788411 /nfs/dbraw/zinc/78/84/11/555788411.db2.gz HGTMCTGUBSGPTO-UHFFFAOYSA-N 0 0 465.347 6.642 40 0 JKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4cc(Br)ccc4Cl)ccc3o2)cc1 ZINC000020411194 555788432 /nfs/dbraw/zinc/78/84/32/555788432.db2.gz QEUUJLBCWQFCHL-UHFFFAOYSA-N 0 0 469.766 7.286 40 0 JKABRN CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cc(Br)ccc4OC)cc3n2)cc1 ZINC000014278406 555788540 /nfs/dbraw/zinc/78/85/40/555788540.db2.gz ADJWWUONKSGVRF-AWNIVKPZSA-N 0 0 477.362 5.406 40 0 JKABRN COc1c(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc2ccccc2c1Br ZINC000014278405 555788550 /nfs/dbraw/zinc/78/85/50/555788550.db2.gz MDSIKOOPMIXBSE-UHFFFAOYSA-N 0 0 487.357 5.906 40 0 JKABRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2=O ZINC000011582544 555788587 /nfs/dbraw/zinc/78/85/87/555788587.db2.gz KHZYQDIAJQXNLP-WEVXLUSXSA-N 0 0 473.400 5.274 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020411378 555788735 /nfs/dbraw/zinc/78/87/35/555788735.db2.gz UOCIBZSISBJWEP-UHFFFAOYSA-N 0 0 473.598 6.534 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl ZINC000020411369 555788738 /nfs/dbraw/zinc/78/87/38/555788738.db2.gz WFQUFNBVCUTRTE-UHFFFAOYSA-N 0 0 494.016 6.797 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)c(C)c1 ZINC000014278572 555788841 /nfs/dbraw/zinc/78/88/41/555788841.db2.gz IJAXRBBJDCXFEQ-UHFFFAOYSA-N 0 0 492.023 5.863 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)c(C)c1 ZINC000014278551 555788866 /nfs/dbraw/zinc/78/88/66/555788866.db2.gz LIWAUQWMIGUQSK-UHFFFAOYSA-N 0 0 482.415 6.443 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)cc3n2)c(C)c1 ZINC000014278564 555788884 /nfs/dbraw/zinc/78/88/84/555788884.db2.gz CNXFIWBZOFDQRJ-UHFFFAOYSA-N 0 0 477.996 5.554 40 0 JKABRN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)cc1Cl ZINC000014278582 555788928 /nfs/dbraw/zinc/78/89/28/555788928.db2.gz VXIBWQCKJYEZOM-UHFFFAOYSA-N 0 0 492.023 6.188 40 0 JKABRN CCCCOC(=O)c1ccc2nc(NC(=O)COc3c(C)cc(Cl)cc3Cl)sc2c1 ZINC000020411553 555789008 /nfs/dbraw/zinc/78/90/08/555789008.db2.gz QKRHPYPCIROBQF-UHFFFAOYSA-N 0 0 467.374 5.886 40 0 JKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 ZINC000020411505 555789016 /nfs/dbraw/zinc/78/90/16/555789016.db2.gz AKNTVPIIHPDOOO-UHFFFAOYSA-N 0 0 454.935 6.419 40 0 JKABRN CCCCOC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc(OCCC)c3)sc2c1 ZINC000020411580 555789027 /nfs/dbraw/zinc/78/90/27/555789027.db2.gz VMXWSTBRAGSGMC-UHFFFAOYSA-N 0 0 471.604 5.169 40 0 JKABRN CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 ZINC000020411504 555789048 /nfs/dbraw/zinc/78/90/48/555789048.db2.gz VOMZNIZCYKPAMO-FMIVXFBMSA-N 0 0 495.000 7.127 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccccc1I ZINC000014278647 555789112 /nfs/dbraw/zinc/78/91/12/555789112.db2.gz FLYZRHBZRFDKMD-UHFFFAOYSA-N 0 0 482.115 5.468 40 0 JKABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cc(Cl)ccc1Cl ZINC000014278653 555789124 /nfs/dbraw/zinc/78/91/24/555789124.db2.gz YMLPFRBCRPCZNK-GORDUTHDSA-N 0 0 479.983 6.179 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1 ZINC000014278673 555789136 /nfs/dbraw/zinc/78/91/36/555789136.db2.gz JLMIHIROGCQOAV-UHFFFAOYSA-N 0 0 485.172 5.429 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)c1 ZINC000014278593 555789142 /nfs/dbraw/zinc/78/91/42/555789142.db2.gz FFTKCSYFRXCTCG-UHFFFAOYSA-N 0 0 485.632 6.315 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(I)cc1 ZINC000014278648 555789150 /nfs/dbraw/zinc/78/91/50/555789150.db2.gz RLBOPJOTOUUNON-SOFGYWHQSA-N 0 0 484.120 6.510 40 0 JKABRN Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)cc1I ZINC000014278707 555789363 /nfs/dbraw/zinc/78/93/63/555789363.db2.gz RSXAAFOXIHEKBI-UHFFFAOYSA-N 0 0 486.136 6.727 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Br)cc1Cl ZINC000014278726 555789374 /nfs/dbraw/zinc/78/93/74/555789374.db2.gz ZPMPLOFWRSXLDR-UHFFFAOYSA-N 0 0 498.396 5.888 40 0 JKABRN COc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1NC(=O)c1cccs1 ZINC000014278742 555789391 /nfs/dbraw/zinc/78/93/91/555789391.db2.gz VFCKUGYRPJYQCD-UHFFFAOYSA-N 0 0 497.370 6.284 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000014278700 555789407 /nfs/dbraw/zinc/78/94/07/555789407.db2.gz CMGHGZXOQXCQQU-UKTHLTGXSA-N 0 0 496.777 7.790 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(NC(=O)c2cccs2)c(OC)c1 ZINC000014278749 555789430 /nfs/dbraw/zinc/78/94/30/555789430.db2.gz LDUNOYVFSYSMPR-BJMVGYQFSA-N 0 0 487.375 5.432 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1OC ZINC000020411948 555789575 /nfs/dbraw/zinc/78/95/75/555789575.db2.gz YJFYSQZUPSXQPL-UHFFFAOYSA-N 0 0 480.520 6.343 40 0 JKABRN CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)sc2c1 ZINC000020411872 555789623 /nfs/dbraw/zinc/78/96/23/555789623.db2.gz JILFGPSQAVWBBW-UHFFFAOYSA-N 0 0 468.387 5.295 40 0 JKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)cc(Br)c2OC)c1 ZINC000014278882 555789684 /nfs/dbraw/zinc/78/96/84/555789684.db2.gz GHDPYJXEGUTBGC-UHFFFAOYSA-N 0 0 490.579 5.474 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=O)COc4ccc(Br)cc4)ccc3o2)cc1OC ZINC000020412031 555789784 /nfs/dbraw/zinc/78/97/84/555789784.db2.gz MGTGEZQGJXHGDP-UHFFFAOYSA-N 0 0 483.318 5.292 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1OC ZINC000020412007 555789802 /nfs/dbraw/zinc/78/98/02/555789802.db2.gz AJWPEESNKQWHDI-UHFFFAOYSA-N 0 0 474.900 6.678 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 ZINC000020412075 555789835 /nfs/dbraw/zinc/78/98/35/555789835.db2.gz PKAOTBUTPKMLLY-UHFFFAOYSA-N 0 0 491.569 5.428 40 0 JKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000020412143 555789892 /nfs/dbraw/zinc/78/98/92/555789892.db2.gz QCDREQAQVHELOU-UHFFFAOYSA-N 0 0 482.374 6.353 40 0 JKABRN O=C(Cn1c(=O)sc2c1S[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H]2c1ccc(Cl)cc1)Nc1ccccc1 ZINC000011612358 555789913 /nfs/dbraw/zinc/78/99/13/555789913.db2.gz BGPYFUTVJQCLFC-CTDHHTNQSA-N 0 0 483.058 5.854 40 0 JKABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000014278929 555789986 /nfs/dbraw/zinc/78/99/86/555789986.db2.gz PRHWYYPBUCMDAL-UHFFFAOYSA-N 0 0 494.469 5.568 40 0 JKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 ZINC000014278974 555790012 /nfs/dbraw/zinc/79/00/12/555790012.db2.gz JCOMBAJXILDGEU-KPKJPENVSA-N 0 0 490.353 6.191 40 0 JKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020412180 555790126 /nfs/dbraw/zinc/79/01/26/555790126.db2.gz AISCSJCUXPXIJE-UHFFFAOYSA-N 0 0 468.347 6.451 40 0 JKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)c3)nn12 ZINC000014279034 555790209 /nfs/dbraw/zinc/79/02/09/555790209.db2.gz RQTBPZGXBFPNLC-UHFFFAOYSA-N 0 0 484.368 6.289 40 0 JKABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000020412558 555790386 /nfs/dbraw/zinc/79/03/86/555790386.db2.gz LZJGNBHPHJDBDQ-UHFFFAOYSA-N 0 0 476.020 5.415 40 0 JKABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000020412600 555790430 /nfs/dbraw/zinc/79/04/30/555790430.db2.gz SZTKFEOBLGVDCD-OAHLLOKOSA-N 0 0 498.838 5.357 40 0 JKABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000020412514 555790494 /nfs/dbraw/zinc/79/04/94/555790494.db2.gz WMVZDENLDJCEFG-UHFFFAOYSA-N 0 0 499.236 5.313 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000014279202 555790496 /nfs/dbraw/zinc/79/04/96/555790496.db2.gz MICKSFASCJFMTM-UHFFFAOYSA-N 0 0 486.399 5.810 40 0 JKABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1sc2ccccc2c1Cl ZINC000014279128 555790513 /nfs/dbraw/zinc/79/05/13/555790513.db2.gz JDGKKBLFTDWKEO-UHFFFAOYSA-N 0 0 476.001 5.769 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000014279176 555790542 /nfs/dbraw/zinc/79/05/42/555790542.db2.gz RFOKOCOJVZHBCQ-CXUHLZMHSA-N 0 0 488.031 6.078 40 0 JKABRN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000014279105 555790554 /nfs/dbraw/zinc/79/05/54/555790554.db2.gz ZHTQYOOETRGEPG-CYBMUJFWSA-N 0 0 479.440 5.412 40 0 JKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000020412608 555790712 /nfs/dbraw/zinc/79/07/12/555790712.db2.gz NYKYLFLYBQTEJO-UHFFFAOYSA-N 0 0 472.029 5.094 40 0 JKABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2)CC1 ZINC000014279303 555790726 /nfs/dbraw/zinc/79/07/26/555790726.db2.gz DZWRYBUOGSAWPZ-UHFFFAOYSA-N 0 0 496.405 5.410 40 0 JKABRN O=C(COc1cccc2ccccc21)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000014279405 555791082 /nfs/dbraw/zinc/79/10/82/555791082.db2.gz CGRYFCLPBKYRKN-UHFFFAOYSA-N 0 0 499.998 5.473 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000014279388 555791112 /nfs/dbraw/zinc/79/11/12/555791112.db2.gz IPXUGVYFCFZCCB-MDWZMJQESA-N 0 0 480.395 5.608 40 0 JKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cc1 ZINC000014279461 555791289 /nfs/dbraw/zinc/79/12/89/555791289.db2.gz TXWFIKNRJDSQGD-KPKJPENVSA-N 0 0 494.060 6.139 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 ZINC000014279455 555791375 /nfs/dbraw/zinc/79/13/75/555791375.db2.gz QAMDPNCEIFNMPU-BJMVGYQFSA-N 0 0 486.424 5.669 40 0 JKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cc1 ZINC000014279473 555791386 /nfs/dbraw/zinc/79/13/86/555791386.db2.gz ZBHZTLIMWQHOQD-UHFFFAOYSA-N 0 0 498.048 5.505 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020461240 555791422 /nfs/dbraw/zinc/79/14/22/555791422.db2.gz ZNKXZVVUALMYHK-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1Cl ZINC000014291019 555791840 /nfs/dbraw/zinc/79/18/40/555791840.db2.gz SDJSHHLGJYGLJK-UHFFFAOYSA-N 0 0 488.371 5.200 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c1 ZINC000014291053 555791928 /nfs/dbraw/zinc/79/19/28/555791928.db2.gz LWMQDNSHNMRVFS-UHFFFAOYSA-N 0 0 478.036 6.093 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000014291103 555792200 /nfs/dbraw/zinc/79/22/00/555792200.db2.gz SZJJBFXXLRLBIF-UHFFFAOYSA-N 0 0 461.993 5.564 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1 ZINC000014291134 555792220 /nfs/dbraw/zinc/79/22/20/555792220.db2.gz YSSGWNBBIWNZBB-UHFFFAOYSA-N 0 0 484.811 5.212 40 0 JKABRN CC1CCN(c2ccc(NC(=O)c3cc(I)ccc3Cl)cc2Cl)CC1 ZINC000014291077 555792240 /nfs/dbraw/zinc/79/22/40/555792240.db2.gz UERTXOXWCUBOCO-UHFFFAOYSA-N 0 0 489.184 6.087 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000014291145 555792259 /nfs/dbraw/zinc/79/22/59/555792259.db2.gz LZJMSDWCOGITRS-UHFFFAOYSA-N 0 0 499.236 5.313 40 0 JKABRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1Cl ZINC000020528462 555792287 /nfs/dbraw/zinc/79/22/87/555792287.db2.gz SKMOGFYWQDXVKJ-UHFFFAOYSA-N 0 0 478.420 5.339 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000020528398 555792349 /nfs/dbraw/zinc/79/23/49/555792349.db2.gz XPBDKQOZTAJWMO-UHFFFAOYSA-N 0 0 468.812 5.594 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1 ZINC000020528464 555792368 /nfs/dbraw/zinc/79/23/68/555792368.db2.gz SGULWDNDANGRDI-UHFFFAOYSA-N 0 0 472.029 5.466 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)CC2)cc1 ZINC000020528458 555792394 /nfs/dbraw/zinc/79/23/94/555792394.db2.gz XAFSIGNUIIUXER-UHFFFAOYSA-N 0 0 471.601 5.251 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000014291195 555792524 /nfs/dbraw/zinc/79/25/24/555792524.db2.gz RBYPFBIKNGTJBQ-UHFFFAOYSA-N 0 0 473.960 5.609 40 0 JKABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000014291166 555792533 /nfs/dbraw/zinc/79/25/33/555792533.db2.gz WOHOZLKBJMWOGP-UHFFFAOYSA-N 0 0 486.399 5.810 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(Br)c4)cc3)CC2)cc1 ZINC000020528540 555792713 /nfs/dbraw/zinc/79/27/13/555792713.db2.gz HQASKYXPAABYEW-UHFFFAOYSA-N 0 0 492.417 5.226 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000014291229 555792831 /nfs/dbraw/zinc/79/28/31/555792831.db2.gz FTFAZDUJVSVBRM-UHFFFAOYSA-N 0 0 476.020 5.987 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 ZINC000020528639 555792945 /nfs/dbraw/zinc/79/29/45/555792945.db2.gz GGPQURXXYRFQOW-UHFFFAOYSA-N 0 0 468.812 5.594 40 0 JKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 ZINC000020528689 555792954 /nfs/dbraw/zinc/79/29/54/555792954.db2.gz MHUOUKACMQQGTE-XUUSCSPLSA-N 0 0 483.612 5.478 40 0 JKABRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000020528718 555792960 /nfs/dbraw/zinc/79/29/60/555792960.db2.gz FSNFJRBQOAVNBP-AWNIVKPZSA-N 0 0 480.395 5.608 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3cc(C)cc(C)c3)CC2)cc1 ZINC000014291272 555793143 /nfs/dbraw/zinc/79/31/43/555793143.db2.gz FNJLXHATCPEYOK-UHFFFAOYSA-N 0 0 492.019 5.245 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)CC2)cc1 ZINC000020528817 555793219 /nfs/dbraw/zinc/79/32/19/555793219.db2.gz FKXPVXZFOKSJJI-UHFFFAOYSA-N 0 0 477.992 5.126 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)c1 ZINC000020528893 555793554 /nfs/dbraw/zinc/79/35/54/555793554.db2.gz SIVGCCKEADINFB-UHFFFAOYSA-N 0 0 472.029 5.466 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3)CC2)cc1 ZINC000020528941 555793559 /nfs/dbraw/zinc/79/35/59/555793559.db2.gz JNJUJOGBJHDLQS-GIJQJNRQSA-N 0 0 481.640 5.987 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2Cl)CC1 ZINC000020528930 555793599 /nfs/dbraw/zinc/79/35/99/555793599.db2.gz NYZDTRVLVPGKSK-JLHYYAGUSA-N 0 0 492.019 5.947 40 0 JKABRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000020528997 555793715 /nfs/dbraw/zinc/79/37/15/555793715.db2.gz HPYHBOBYLTXXJM-IZZDOVSWSA-N 0 0 483.656 5.594 40 0 JKABRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000020529077 555794055 /nfs/dbraw/zinc/79/40/55/555794055.db2.gz ZBXSKGGZCXXMNV-LICLKQGHSA-N 0 0 461.565 5.454 40 0 JKABRN COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)cc1 ZINC000011649987 555794043 /nfs/dbraw/zinc/79/40/43/555794043.db2.gz BAGNABXIKVYXMS-UHFFFAOYSA-N 0 0 458.754 5.360 40 0 JKABRN COc1ccc(Cc2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1 ZINC000011649913 555794080 /nfs/dbraw/zinc/79/40/80/555794080.db2.gz WZYDRCAGJOUNLK-UHFFFAOYSA-N 0 0 458.754 5.360 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)CC2)cc1 ZINC000020529144 555794105 /nfs/dbraw/zinc/79/41/05/555794105.db2.gz ZYMSSTMNEOHPEH-UHFFFAOYSA-N 0 0 461.993 5.426 40 0 JKABRN O=C(CSc1cc(C(F)(F)F)cc(-c2ccccc2)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020530316 555797207 /nfs/dbraw/zinc/79/72/07/555797207.db2.gz CRZZOLJGWFRXPJ-UHFFFAOYSA-N 0 0 490.856 7.170 40 0 JKABRN COc1ccc([C@@H](O)P(=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000011667425 555797736 /nfs/dbraw/zinc/79/77/36/555797736.db2.gz ZOBOYBARNZZRMT-BMVAYXFESA-N 0 0 494.653 7.834 40 0 JKABRN COc1ccc([C@@H](O)[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000011667429 555798049 /nfs/dbraw/zinc/79/80/49/555798049.db2.gz ZOBOYBARNZZRMT-ZAYXSURXSA-N 0 0 494.653 7.834 40 0 JKABRN COc1ccc([C@H](O)P(=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000011667427 555798058 /nfs/dbraw/zinc/79/80/58/555798058.db2.gz ZOBOYBARNZZRMT-SIWAMGHLSA-N 0 0 494.653 7.834 40 0 JKABRN C[C@@H](OC(=O)C12C[C@H]3C[C@H](CC(O)(C3)C1)C2)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000014359215 555798457 /nfs/dbraw/zinc/79/84/57/555798457.db2.gz KLIQTAKNHLYQGM-KEFYMUALSA-N 0 0 495.428 5.318 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)cc1Cl ZINC000014396182 555801941 /nfs/dbraw/zinc/80/19/41/555801941.db2.gz ZJCNNYADSBOROX-UHFFFAOYSA-N 0 0 458.967 5.247 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c1 ZINC000014396587 555802157 /nfs/dbraw/zinc/80/21/57/555802157.db2.gz UMHSKFVMPLRKQP-KRWDZBQOSA-N 0 0 458.967 5.164 40 0 JKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000014396440 555802203 /nfs/dbraw/zinc/80/22/03/555802203.db2.gz VCIUMALJFXUVII-QGZVFWFLSA-N 0 0 487.021 5.844 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000014396642 555802545 /nfs/dbraw/zinc/80/25/45/555802545.db2.gz PEQNGGYNDLEOSM-KRWDZBQOSA-N 0 0 480.973 5.700 40 0 JKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc(C)c1Cl ZINC000014396627 555802623 /nfs/dbraw/zinc/80/26/23/555802623.db2.gz OXTKQGHGLUUSMY-RTBURBONSA-N 0 0 450.966 5.854 40 0 JKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc(C)c1Cl ZINC000014396971 555802859 /nfs/dbraw/zinc/80/28/59/555802859.db2.gz VSFNFGWIRKKTCG-INIZCTEOSA-N 0 0 493.412 5.817 40 0 JKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014398143 555803816 /nfs/dbraw/zinc/80/38/16/555803816.db2.gz BGTXPNJGFFEKNW-HSZRJFAPSA-N 0 0 456.630 5.685 40 0 JKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014398145 555803897 /nfs/dbraw/zinc/80/38/97/555803897.db2.gz BGTXPNJGFFEKNW-QHCPKHFHSA-N 0 0 456.630 5.685 40 0 JKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c1 ZINC000014398053 555803904 /nfs/dbraw/zinc/80/39/04/555803904.db2.gz YBSZRYBLEMPXDO-UHFFFAOYSA-N 0 0 479.385 5.429 40 0 JKABRN CS(=O)(=O)N(CCCC(=O)Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000014398138 555803912 /nfs/dbraw/zinc/80/39/12/555803912.db2.gz MUXAQMRIGDUHLD-UHFFFAOYSA-N 0 0 469.312 5.197 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000014398354 555804165 /nfs/dbraw/zinc/80/41/65/555804165.db2.gz JZDDVQSZOVNNSZ-CYBMUJFWSA-N 0 0 499.803 5.854 40 0 JKABRN CS(=O)(=O)N(CCCC(=O)NCCSc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000014398536 555804303 /nfs/dbraw/zinc/80/43/03/555804303.db2.gz QOCZFRRPLZJQQW-UHFFFAOYSA-N 0 0 495.881 5.102 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)c(C)c1 ZINC000014399426 555804818 /nfs/dbraw/zinc/80/48/18/555804818.db2.gz WFVXLRARCYLXLY-IBGZPJMESA-N 0 0 487.021 5.780 40 0 JKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1 ZINC000014399500 555804846 /nfs/dbraw/zinc/80/48/46/555804846.db2.gz YNZVEBNISAQCMT-UHFFFAOYSA-N 0 0 458.967 5.084 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000014399525 555804869 /nfs/dbraw/zinc/80/48/69/555804869.db2.gz VZQLBOGLBLTUCY-GOSISDBHSA-N 0 0 482.602 5.200 40 0 JKABRN Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000014400002 555805618 /nfs/dbraw/zinc/80/56/18/555805618.db2.gz MGPXBOIDNWQJKL-UHFFFAOYSA-N 0 0 493.412 5.900 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000014400621 555806161 /nfs/dbraw/zinc/80/61/61/555806161.db2.gz JVXSFZZMIGXDRD-UHFFFAOYSA-N 0 0 484.021 5.692 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000014401219 555806484 /nfs/dbraw/zinc/80/64/84/555806484.db2.gz YYKXWPDCWMJBLY-UHFFFAOYSA-N 0 0 480.586 5.160 40 0 JKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000014401291 555806497 /nfs/dbraw/zinc/80/64/97/555806497.db2.gz UBJCKWKXZYQLQC-UHFFFAOYSA-N 0 0 460.555 5.275 40 0 JKABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000014400874 555806506 /nfs/dbraw/zinc/80/65/06/555806506.db2.gz SNFQQLZHYSRUOU-ZDUSSCGKSA-N 0 0 483.348 5.339 40 0 JKABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000014400872 555806603 /nfs/dbraw/zinc/80/66/03/555806603.db2.gz SNFQQLZHYSRUOU-CYBMUJFWSA-N 0 0 483.348 5.339 40 0 JKABRN Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)c1 ZINC000014404637 555807119 /nfs/dbraw/zinc/80/71/19/555807119.db2.gz NPQRXHUREVRTLX-FOCLMDBBSA-N 0 0 480.524 5.150 40 0 JKABRN Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1 ZINC000014404500 555807173 /nfs/dbraw/zinc/80/71/73/555807173.db2.gz AFBLMCGUZUPBPD-SAPNQHFASA-N 0 0 480.524 5.150 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000014404849 555807367 /nfs/dbraw/zinc/80/73/67/555807367.db2.gz NFCKPFVYNNUYQE-UHFFFAOYSA-N 0 0 450.498 5.740 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000014405187 555807616 /nfs/dbraw/zinc/80/76/16/555807616.db2.gz FVKHFZDGAWOUQQ-SAPNQHFASA-N 0 0 470.960 6.047 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000014405056 555807672 /nfs/dbraw/zinc/80/76/72/555807672.db2.gz XASCBLLUHROASV-UHFFFAOYSA-N 0 0 451.741 5.050 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)c1C ZINC000014405306 555807963 /nfs/dbraw/zinc/80/79/63/555807963.db2.gz FJPNNMILXGABJQ-UHFFFAOYSA-N 0 0 495.048 6.981 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)c1C ZINC000014405385 555808005 /nfs/dbraw/zinc/80/80/05/555808005.db2.gz RQBKPNRNDXGJSK-UHFFFAOYSA-N 0 0 454.958 5.467 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000014410891 555810034 /nfs/dbraw/zinc/81/00/34/555810034.db2.gz GMXZBWUHWUSZEN-UHFFFAOYSA-N 0 0 485.339 5.414 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1C ZINC000014411327 555810358 /nfs/dbraw/zinc/81/03/58/555810358.db2.gz PGUGVELPCNXSAZ-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN COc1ccc(C)cc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000014411538 555810621 /nfs/dbraw/zinc/81/06/21/555810621.db2.gz XDPVMMPIVICYKZ-UHFFFAOYSA-N 0 0 493.412 5.453 40 0 JKABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1 ZINC000014411962 555810890 /nfs/dbraw/zinc/81/08/90/555810890.db2.gz JGSFPMCXYNXUBD-SFHVURJKSA-N 0 0 470.616 5.030 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2ccc(F)cc2)cc1 ZINC000014412304 555811410 /nfs/dbraw/zinc/81/14/10/555811410.db2.gz RZYLRTKGRCMYCR-UHFFFAOYSA-N 0 0 467.349 5.275 40 0 JKABRN Cc1ccc(C)c(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000014412232 555811462 /nfs/dbraw/zinc/81/14/62/555811462.db2.gz PEDMCYYRVFKEMY-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014412630 555811742 /nfs/dbraw/zinc/81/17/42/555811742.db2.gz ZVYXEISUNUOXQW-UHFFFAOYSA-N 0 0 450.604 5.480 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000014413157 555812311 /nfs/dbraw/zinc/81/23/11/555812311.db2.gz QNHLMXNZJKGKEW-YYADALCUSA-N 0 0 460.599 5.431 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000014413074 555812357 /nfs/dbraw/zinc/81/23/57/555812357.db2.gz STFDGEAIXRCLEC-UHFFFAOYSA-N 0 0 471.022 5.914 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2cccc(C)c2C)cc1 ZINC000014413253 555812611 /nfs/dbraw/zinc/81/26/11/555812611.db2.gz PWSREBUTZPSRTD-UHFFFAOYSA-N 0 0 477.413 5.753 40 0 JKABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000014413528 555812617 /nfs/dbraw/zinc/81/26/17/555812617.db2.gz UDISAAXLKZHMOG-UHFFFAOYSA-N 0 0 498.910 5.201 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014413494 555812626 /nfs/dbraw/zinc/81/26/26/555812626.db2.gz JVGXCXXCOVSGIV-UHFFFAOYSA-N 0 0 450.604 5.480 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014413586 555812966 /nfs/dbraw/zinc/81/29/66/555812966.db2.gz NOZHQSBENXONHA-UHFFFAOYSA-N 0 0 454.567 5.311 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCC(C)C)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000014414927 555813915 /nfs/dbraw/zinc/81/39/15/555813915.db2.gz QAXAIWKUBAOLRQ-UHFFFAOYSA-N 0 0 485.477 5.272 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(O[C@H]1C[C@H](C)CC[C@H]1C(C)C)[C@@H](O)c1cccnc1 ZINC000011852557 555835656 /nfs/dbraw/zinc/83/56/56/555835656.db2.gz QZJIDEFRERTWOZ-IECYMLKTSA-N 0 0 465.615 7.220 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@@H](O)c1cccnc1 ZINC000011852560 555835724 /nfs/dbraw/zinc/83/57/24/555835724.db2.gz QZJIDEFRERTWOZ-BKYBNREYSA-N 0 0 465.615 7.220 40 0 JKABRN C[C@@H]1C[C@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000014607248 555835921 /nfs/dbraw/zinc/83/59/21/555835921.db2.gz BHBDWYPJWSZZNQ-DFHRPNOPSA-N 0 0 482.605 6.062 40 0 JKABRN C[C@@H]1C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000014607246 555835928 /nfs/dbraw/zinc/83/59/28/555835928.db2.gz BHBDWYPJWSZZNQ-SKCUWOTOSA-N 0 0 482.605 6.062 40 0 JKABRN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(=O)c3ccccc3)c3ccccc32)cc1 ZINC000014607250 555835965 /nfs/dbraw/zinc/83/59/65/555835965.db2.gz XFRUMYKXBIMBEG-RNWIMVQKSA-N 0 0 496.632 6.371 40 0 JKABRN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccccc32)cc1 ZINC000014607255 555835998 /nfs/dbraw/zinc/83/59/98/555835998.db2.gz HLOJMIJUOUAVTF-HFZDXXHNSA-N 0 0 486.593 5.964 40 0 JKABRN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(=O)C3CC3)c3ccccc32)cc1 ZINC000014607274 555836182 /nfs/dbraw/zinc/83/61/82/555836182.db2.gz IDJSSKPYYMULNR-FQRUVTKNSA-N 0 0 460.599 5.467 40 0 JKABRN Cc1ccc(-c2csc(NC(=O)CSc3nn(-c4ccccc4)c(=S)s3)n2)cc1 ZINC000014608264 555836804 /nfs/dbraw/zinc/83/68/04/555836804.db2.gz YLJSNMJJHMYGHZ-UHFFFAOYSA-N 0 0 456.643 5.826 40 0 JKABRN COc1ccc(OC)c(-n2c(-c3ccc4ccccc4c3)cnc2Nc2nc(C)cc(C)n2)c1 ZINC000014608333 555836824 /nfs/dbraw/zinc/83/68/24/555836824.db2.gz LBJOODCRPRWHSK-UHFFFAOYSA-N 0 0 451.530 5.860 40 0 JKABRN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@]31SCC(=O)N1c1ccc(F)cc1 ZINC000014671836 555837481 /nfs/dbraw/zinc/83/74/81/555837481.db2.gz RNHLIPJSNDVXNT-VSGBNLITSA-N 0 0 472.585 5.593 40 0 JKABRN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@@]31SCC(=O)N1c1ccc(F)cc1 ZINC000014671834 555837499 /nfs/dbraw/zinc/83/74/99/555837499.db2.gz RNHLIPJSNDVXNT-IZLXSDGUSA-N 0 0 472.585 5.593 40 0 JKABRN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@@]31SCC(=O)N1c1ccccc1 ZINC000014671862 555837840 /nfs/dbraw/zinc/83/78/40/555837840.db2.gz ZTGXDGPTYCSGSZ-IZLXSDGUSA-N 0 0 454.595 5.454 40 0 JKABRN COc1ccc(N2C(=O)CS[C@]23c2cccc4c2N(C3=O)C(C)(C)C[C@]4(C)c2ccccc2)cc1 ZINC000014671849 555837843 /nfs/dbraw/zinc/83/78/43/555837843.db2.gz ACPYHQQOHWOFOU-WDYNHAJCSA-N 0 0 484.621 5.463 40 0 JKABRN CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1 ZINC000014768210 555839715 /nfs/dbraw/zinc/83/97/15/555839715.db2.gz IEWRDXNKACUIQT-GDLZYMKVSA-N 0 0 467.565 6.608 40 0 JKABRN Cc1cc(Br)cc(Br)c1OCC(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000014831763 555840483 /nfs/dbraw/zinc/84/04/83/555840483.db2.gz PRGARHPZJYDGCN-UHFFFAOYSA-N 0 0 484.188 5.132 40 0 JKABRN CCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCc4cc(OCc5ccccc5F)ccc4[C@@H]3CC[C@]12C ZINC000011865799 555841077 /nfs/dbraw/zinc/84/10/77/555841077.db2.gz RWTHRPPTMAZWBT-ZCVKNDTNSA-N 0 0 464.621 7.363 40 0 JKABRN CCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCc4cc(OCc5ccc(F)cc5)ccc4[C@@H]3CC[C@]12C ZINC000011865803 555841147 /nfs/dbraw/zinc/84/11/47/555841147.db2.gz IYDDXZIYBLCCFG-VGVLNSCGSA-N 0 0 464.621 7.363 40 0 JKABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)c(C)c1 ZINC000021577697 555851643 /nfs/dbraw/zinc/85/16/43/555851643.db2.gz HFTPZNMUPFVIBA-UHFFFAOYSA-N 0 0 483.568 5.030 40 0 JKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1cccc(Cl)c1Cl ZINC000021578938 555851653 /nfs/dbraw/zinc/85/16/53/555851653.db2.gz NLVWKNWXEXMFJT-UHFFFAOYSA-N 0 0 484.408 6.854 40 0 JKABRN COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)c1 ZINC000021579311 555851849 /nfs/dbraw/zinc/85/18/49/555851849.db2.gz GYUSJWBSROQSRG-SDNWHVSQSA-N 0 0 470.912 7.069 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc(OCC)c1OCC ZINC000021579115 555851851 /nfs/dbraw/zinc/85/18/51/555851851.db2.gz FLVIENFHYJXQLC-UHFFFAOYSA-N 0 0 476.529 5.952 40 0 JKABRN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1Br ZINC000021580339 555852270 /nfs/dbraw/zinc/85/22/70/555852270.db2.gz HEVMDMYCYIUNLG-UHFFFAOYSA-N 0 0 452.308 5.262 40 0 JKABRN CCOc1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc(OCC)c1OCC ZINC000021580371 555852347 /nfs/dbraw/zinc/85/23/47/555852347.db2.gz PXXBUGYPUXJFOV-UHFFFAOYSA-N 0 0 475.545 5.687 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000021580636 555852468 /nfs/dbraw/zinc/85/24/68/555852468.db2.gz CEMSRONMQRYEHS-NTCAYCPXSA-N 0 0 453.473 6.290 40 0 JKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1c(C)cc(C)cc1Br ZINC000021580834 555853009 /nfs/dbraw/zinc/85/30/09/555853009.db2.gz PGYAKGNTLOKTTR-UHFFFAOYSA-N 0 0 480.362 5.635 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000021595603 555853236 /nfs/dbraw/zinc/85/32/36/555853236.db2.gz PWNBRSWSBORJIF-UHFFFAOYSA-N 0 0 452.308 5.448 40 0 JKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000021595618 555853265 /nfs/dbraw/zinc/85/32/65/555853265.db2.gz NLFZOTRNFNBAKG-UHFFFAOYSA-N 0 0 498.671 7.165 40 0 JKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000021595404 555853273 /nfs/dbraw/zinc/85/32/73/555853273.db2.gz OJMGMLLXRXRWCG-UHFFFAOYSA-N 0 0 481.415 6.830 40 0 JKABRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3)nc2c1 ZINC000021595414 555853302 /nfs/dbraw/zinc/85/33/02/555853302.db2.gz OTPCKQIAZUCYEO-DTQAZKPQSA-N 0 0 479.561 6.590 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc21 ZINC000021595681 555853613 /nfs/dbraw/zinc/85/36/13/555853613.db2.gz RVNYVPXFXMJVOS-UHFFFAOYSA-N 0 0 485.820 6.651 40 0 JKABRN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000021595723 555853630 /nfs/dbraw/zinc/85/36/30/555853630.db2.gz VALVLFYZIZNPSJ-JQIJEIRASA-N 0 0 479.561 6.590 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2C)c(OC)c1 ZINC000021595755 555853848 /nfs/dbraw/zinc/85/38/48/555853848.db2.gz LAOIDEXLFYVWJH-UHFFFAOYSA-N 0 0 489.597 6.071 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)ccc3O)oc2c1 ZINC000021595813 555853903 /nfs/dbraw/zinc/85/39/03/555853903.db2.gz POLUVJNWWBYJJV-GXDHUFHOSA-N 0 0 495.560 6.295 40 0 JKABRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc2nsnc2c1 ZINC000021595858 555853942 /nfs/dbraw/zinc/85/39/42/555853942.db2.gz NNBMWKGEKNAPLG-UHFFFAOYSA-N 0 0 487.610 6.058 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2)cc1 ZINC000021595823 555853966 /nfs/dbraw/zinc/85/39/66/555853966.db2.gz ZFYCRGVUMZEXES-HTXNQAPBSA-N 0 0 464.565 7.148 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000021595889 555854259 /nfs/dbraw/zinc/85/42/59/555854259.db2.gz FRJKZUNTWBGWDM-JQIJEIRASA-N 0 0 481.602 6.750 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=S)NC(=O)c2cc3ccccc3o2)c1Cl ZINC000021595946 555854283 /nfs/dbraw/zinc/85/42/83/555854283.db2.gz QQYYAWDJIWOGPE-UHFFFAOYSA-N 0 0 486.018 5.956 40 0 JKABRN CCOc1ccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc1Cl ZINC000021595951 555854298 /nfs/dbraw/zinc/85/42/98/555854298.db2.gz RRDOTDARMBDOTM-UHFFFAOYSA-N 0 0 465.402 6.387 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc1 ZINC000021596066 555854312 /nfs/dbraw/zinc/85/43/12/555854312.db2.gz UPYWHYJMNKNXLJ-OAHLLOKOSA-N 0 0 473.038 6.614 40 0 JKABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000021596088 555854316 /nfs/dbraw/zinc/85/43/16/555854316.db2.gz KMRXHLWSARPVHX-FYWRMAATSA-N 0 0 456.571 5.404 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c(OC)c1 ZINC000021596071 555854320 /nfs/dbraw/zinc/85/43/20/555854320.db2.gz RYRWNYSJLWBJDZ-UHFFFAOYSA-N 0 0 461.543 5.256 40 0 JKABRN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OCCCCC)Nc1ccccc1-2 ZINC000015015454 555855787 /nfs/dbraw/zinc/85/57/87/555855787.db2.gz AIGORYOZUCYZAT-VWLOTQADSA-N 0 0 478.662 7.283 40 0 JKABRN CSc1nnc2c(n1)O[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Nc1ccccc1-2 ZINC000015015437 555855812 /nfs/dbraw/zinc/85/58/12/555855812.db2.gz PLAVSVIHUPAQDM-NRFANRHFSA-N 0 0 450.608 6.064 40 0 JKABRN Oc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)c1Cl ZINC000015015746 555856173 /nfs/dbraw/zinc/85/61/73/555856173.db2.gz SAOMKGMGZJLNKX-OAQYLSRUSA-N 0 0 466.925 5.832 40 0 JKABRN CCCCSc1nnc2c(n1)O[C@H](c1cccc3ccccc31)Nc1ccc(Br)cc1-2 ZINC000015015775 555856191 /nfs/dbraw/zinc/85/61/91/555856191.db2.gz SXIXUMRCLPEYGF-JOCHJYFZSA-N 0 0 493.430 6.850 40 0 JKABRN CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)Nc1ccc(Br)cc1-2 ZINC000015015969 555856468 /nfs/dbraw/zinc/85/64/68/555856468.db2.gz MQMUMMRZCFQBAN-FQEVSTJZSA-N 0 0 487.423 6.095 40 0 JKABRN CCCCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 ZINC000015015928 555856483 /nfs/dbraw/zinc/85/64/83/555856483.db2.gz WGNCAYWMXARRQW-DEOSSOPVSA-N 0 0 458.587 6.486 40 0 JKABRN CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1F)Nc1ccc(Br)cc1-2 ZINC000015015886 555856502 /nfs/dbraw/zinc/85/65/02/555856502.db2.gz RUPYFXUZYYYHKW-IBGZPJMESA-N 0 0 475.387 6.226 40 0 JKABRN CCCCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 ZINC000015015927 555856516 /nfs/dbraw/zinc/85/65/16/555856516.db2.gz WGNCAYWMXARRQW-XMMPIXPASA-N 0 0 458.587 6.486 40 0 JKABRN CCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1Cl)OCO3)Nc1ccc(Br)cc1-2 ZINC000015015796 555856524 /nfs/dbraw/zinc/85/65/24/555856524.db2.gz AMTQYSHETMOUKG-KRWDZBQOSA-N 0 0 493.770 5.298 40 0 JKABRN CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1OC)Nc1ccc(Br)cc1-2 ZINC000015015970 555856575 /nfs/dbraw/zinc/85/65/75/555856575.db2.gz MQMUMMRZCFQBAN-HXUWFJFHSA-N 0 0 487.423 6.095 40 0 JKABRN COc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)c1 ZINC000015015999 555856858 /nfs/dbraw/zinc/85/68/58/555856858.db2.gz HYSYETRCEWBSLE-JOCHJYFZSA-N 0 0 462.962 5.996 40 0 JKABRN COc1ccc(OC)c([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)c1 ZINC000015016001 555856886 /nfs/dbraw/zinc/85/68/86/555856886.db2.gz ZFHYAEWWYSCDFQ-HSZRJFAPSA-N 0 0 492.988 6.005 40 0 JKABRN CCCSc1nnc2c(n1)O[C@@H](c1cc(Cl)cc(Br)c1OC)Nc1ccccc1-2 ZINC000015015977 555856911 /nfs/dbraw/zinc/85/69/11/555856911.db2.gz RWBKOZLYMWMCAI-SFHVURJKSA-N 0 0 493.814 5.968 40 0 JKABRN COc1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)c1 ZINC000015016000 555856923 /nfs/dbraw/zinc/85/69/23/555856923.db2.gz HYSYETRCEWBSLE-QFIPXVFZSA-N 0 0 462.962 5.996 40 0 JKABRN CCCCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1Cl)N(C(C)=O)c1ccccc1-2 ZINC000015016105 555857138 /nfs/dbraw/zinc/85/71/38/555857138.db2.gz SEPINEXNYZWMOB-OAQYLSRUSA-N 0 0 475.401 6.182 40 0 JKABRN COc1ccc(/C=C2\C(=O)Nc3c2cc(Br)cc3Br)cc1Br ZINC000015016370 555857813 /nfs/dbraw/zinc/85/78/13/555857813.db2.gz PHRYDBJLPLKQBV-WCIBSUBMSA-N 0 0 487.973 5.475 40 0 JKABRN CC(C)(O)c1ccccc1CC[C@@H](O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000022009425 555861243 /nfs/dbraw/zinc/86/12/43/555861243.db2.gz ZSHIDKYITZZTLA-MGUPHCMFSA-N 0 0 458.001 6.952 40 0 in-vitro JKABRN COC(=O)C(C(=O)OC)[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc(C)cc1)c1ccccc1 ZINC000015021871 555863667 /nfs/dbraw/zinc/86/36/67/555863667.db2.gz NYJLDPNUQYNQIW-PKTZIBPZSA-N 0 0 464.945 5.361 40 0 JKABRN COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(Br)c(C(C)C)cc3-c3[nH]c4ccccc4c3[C@@H]12 ZINC000015021833 555863716 /nfs/dbraw/zinc/86/37/16/555863716.db2.gz GEBHRPDLIGCDSK-ZRJLEYOISA-N 0 0 480.446 7.439 40 0 JKABRN S=C(NCc1ccccc1)c1c(-c2ccc(Cl)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000015022346 555864020 /nfs/dbraw/zinc/86/40/20/555864020.db2.gz VHUOXGRMJPAHEP-UHFFFAOYSA-N 0 0 496.079 7.530 40 0 JKABRN CC1(C)CC(=O)C2(Cc3c4ccccc4ccc3N(Cc3ccc(-c4ccccc4)cc3)C2)C(=O)C1 ZINC000015024478 555864637 /nfs/dbraw/zinc/86/46/37/555864637.db2.gz GWOUNTGPZYILQL-UHFFFAOYSA-N 0 0 473.616 7.014 40 0 JKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000022053555 555866913 /nfs/dbraw/zinc/86/69/13/555866913.db2.gz OTSYUPDJZCVZFR-UHFFFAOYSA-N 0 0 473.495 5.805 40 0 JKABRN CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccccc1/C=C/C(=O)OC(C)(C)C ZINC000022055534 555867000 /nfs/dbraw/zinc/86/70/00/555867000.db2.gz GYEICLHNCXDXIW-CCEZHUSRSA-N 0 0 453.535 5.074 40 0 in-vitro JKABRN CCOC(=O)/C=C(/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OP(=O)(OCC)OCC ZINC000022057222 555867197 /nfs/dbraw/zinc/86/71/97/555867197.db2.gz NUGFSECZJBXADK-PRAVLZDPSA-N 0 0 470.587 7.831 40 0 in-vitro JKABRN CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000022071996 555869884 /nfs/dbraw/zinc/86/98/84/555869884.db2.gz WKQRVARRUVZYGL-UHFFFAOYSA-N 0 0 473.495 5.614 40 0 JKABRN CCOc1ccc(CCNC(=O)c2cccnc2Nc2cccc(Br)c2)cc1OCC ZINC000022072028 555869936 /nfs/dbraw/zinc/86/99/36/555869936.db2.gz AQOCCLXTVVBJJY-UHFFFAOYSA-N 0 0 484.394 5.358 40 0 JKABRN O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000022072638 555869990 /nfs/dbraw/zinc/86/99/90/555869990.db2.gz BXKNJDGOTZXGMI-UHFFFAOYSA-N 0 0 452.230 5.739 40 0 JKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC ZINC000022072714 555870013 /nfs/dbraw/zinc/87/00/13/555870013.db2.gz OMJMCGYHYUKITF-UHFFFAOYSA-N 0 0 457.933 5.578 40 0 JKABRN CN1C(=S)S[C@H](c2ccc(Br)cc2)N(C)[C@H]1c1ccc(Br)cc1 ZINC000015081033 555872694 /nfs/dbraw/zinc/87/26/94/555872694.db2.gz RYLZKTYONBXSTH-HZPDHXFCSA-N 0 0 472.271 5.804 40 0 JKABRN Brc1ccc(C2=Nn3c(nnc3-c3cccc(OCc4ccccc4)c3)SC2)cc1 ZINC000015085467 555875239 /nfs/dbraw/zinc/87/52/39/555875239.db2.gz HLEPIYUFSIVRKD-UHFFFAOYSA-N 0 0 477.387 5.645 40 0 JKABRN CCCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000022109579 555876420 /nfs/dbraw/zinc/87/64/20/555876420.db2.gz GWPNDPYBBBSPIO-UHFFFAOYSA-N 0 0 450.370 5.370 40 0 JKABRN CCCCn1nnnc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000022109650 555876431 /nfs/dbraw/zinc/87/64/31/555876431.db2.gz NSXIDSWJWQRHGA-UHFFFAOYSA-N 0 0 450.370 5.370 40 0 JKABRN CCCc1n[nH]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022109791 555876455 /nfs/dbraw/zinc/87/64/55/555876455.db2.gz PSICSHZRWVKWDS-UHFFFAOYSA-N 0 0 467.820 5.632 40 0 JKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022109989 555876853 /nfs/dbraw/zinc/87/68/53/555876853.db2.gz VYRDJUHIUYEADL-UHFFFAOYSA-N 0 0 457.386 6.237 40 0 JKABRN CCCc1n[nH]c(=S)n1NCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000022109851 555876870 /nfs/dbraw/zinc/87/68/70/555876870.db2.gz ICNCLLXNPSKFIV-UHFFFAOYSA-N 0 0 481.391 5.126 40 0 JKABRN CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022109899 555876911 /nfs/dbraw/zinc/87/69/11/555876911.db2.gz GMJIJFXWQBICEE-UHFFFAOYSA-N 0 0 487.840 6.185 40 0 JKABRN CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022109891 555876923 /nfs/dbraw/zinc/87/69/23/555876923.db2.gz FSSRYAAECPSYEQ-UHFFFAOYSA-N 0 0 453.395 5.531 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000022110011 555876935 /nfs/dbraw/zinc/87/69/35/555876935.db2.gz PBFRHZYKBQXEKU-UHFFFAOYSA-N 0 0 497.418 5.701 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000022110300 555877195 /nfs/dbraw/zinc/87/71/95/555877195.db2.gz WRHYJYDRXGNROB-UHFFFAOYSA-N 0 0 487.412 6.246 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000022110310 555877307 /nfs/dbraw/zinc/87/73/07/555877307.db2.gz XENNLWOKFRZTEI-UHFFFAOYSA-N 0 0 470.957 5.731 40 0 JKABRN S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022110579 555877498 /nfs/dbraw/zinc/87/74/98/555877498.db2.gz MZKNYVJZGFBGRB-UHFFFAOYSA-N 0 0 458.374 5.632 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2OC)ccc1OCc1ccc(Cl)cc1 ZINC000022110757 555877867 /nfs/dbraw/zinc/87/78/67/555877867.db2.gz AMCMGTCXJBTXJL-UHFFFAOYSA-N 0 0 497.020 5.991 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022110802 555877881 /nfs/dbraw/zinc/87/78/81/555877881.db2.gz PLTXCWFPCAVOQS-UHFFFAOYSA-N 0 0 452.967 5.592 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1Cl ZINC000022110653 555877957 /nfs/dbraw/zinc/87/79/57/555877957.db2.gz ZNYXZLMDEMNCNU-UHFFFAOYSA-N 0 0 482.993 5.601 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2OC)ccc1OCc1ccccc1Cl ZINC000022110765 555877975 /nfs/dbraw/zinc/87/79/75/555877975.db2.gz AOHANJOIVMPKNU-UHFFFAOYSA-N 0 0 497.020 5.991 40 0 JKABRN COc1ccc(-c2cc(-c3nn4c(nnc4-c4ccc(Cl)cc4)s3)c3ccccc3n2)cc1 ZINC000015107705 555877968 /nfs/dbraw/zinc/87/79/68/555877968.db2.gz RJLSOBAWWXBALM-UHFFFAOYSA-N 0 0 469.957 6.397 40 0 JKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2OC)ccc1OCc1ccccc1 ZINC000022110749 555878002 /nfs/dbraw/zinc/87/80/02/555878002.db2.gz XLNPBBWKDSJFRX-UHFFFAOYSA-N 0 0 462.575 5.338 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022111107 555878166 /nfs/dbraw/zinc/87/81/66/555878166.db2.gz LPVVLJMBWHPXIR-UHFFFAOYSA-N 0 0 486.572 6.231 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000022111194 555878552 /nfs/dbraw/zinc/87/85/52/555878552.db2.gz AOTLUBHDQUZSJZ-UHFFFAOYSA-N 0 0 462.575 5.256 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000022111244 555878622 /nfs/dbraw/zinc/87/86/22/555878622.db2.gz YCMSEBISMIBGHL-UHFFFAOYSA-N 0 0 482.993 5.601 40 0 JKABRN COc1cc(CNn2c(-c3ccncc3)n[nH]c2=S)ccc1OCc1c(F)cccc1Cl ZINC000022111220 555878638 /nfs/dbraw/zinc/87/86/38/555878638.db2.gz PDMYSUINNAPDQP-UHFFFAOYSA-N 0 0 471.945 5.126 40 0 JKABRN CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022112347 555879165 /nfs/dbraw/zinc/87/91/65/555879165.db2.gz AHJOWDPRSITFJW-UHFFFAOYSA-N 0 0 483.819 5.386 40 0 JKABRN CC(C)O[C@H]1CCCC[C@H]1OC(=O)NCCCCCCNC(=O)O[C@H]1CCCC[C@@H]1OC(C)C ZINC000015133509 555879543 /nfs/dbraw/zinc/87/95/43/555879543.db2.gz ZTDMMRNZJKKLCG-NEWJYFPISA-N 0 0 484.678 5.472 40 0 JKABRN COCCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccc(Cl)cc1 ZINC000022144220 555881416 /nfs/dbraw/zinc/88/14/16/555881416.db2.gz GEZKRDJEVVJSIM-UHFFFAOYSA-N 0 0 495.830 5.047 40 0 JKABRN O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000015188425 555883217 /nfs/dbraw/zinc/88/32/17/555883217.db2.gz ARDUKWUXPGGMNO-DDOAZUFRSA-N 0 0 471.478 6.129 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Oc4ccccc4)cc3)sc2c1 ZINC000015222101 555885560 /nfs/dbraw/zinc/88/55/60/555885560.db2.gz RCLOSWBGFGDTDD-QFIPXVFZSA-N 0 0 457.555 5.874 40 0 JKABRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000015225621 555886652 /nfs/dbraw/zinc/88/66/52/555886652.db2.gz AXAVMYYSLGGTRN-UHFFFAOYSA-N 0 0 456.354 5.423 40 0 JKABRN CCOC(=O)CN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000015225510 555886680 /nfs/dbraw/zinc/88/66/80/555886680.db2.gz ZFCKXPCJDXRVOV-AWQFTUOYSA-N 0 0 489.380 5.596 40 0 JKABRN Nn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC000015229271 555888718 /nfs/dbraw/zinc/88/87/18/555888718.db2.gz VBNMCMSDCAYSLQ-UHFFFAOYSA-N 0 0 482.481 5.552 40 0 JKABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)S(C)(=O)=O)cc1 ZINC000022231605 555890218 /nfs/dbraw/zinc/89/02/18/555890218.db2.gz JETQQXBLORYAHB-UHFFFAOYSA-N 0 0 466.603 5.102 40 0 JKABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000022231608 555890260 /nfs/dbraw/zinc/89/02/60/555890260.db2.gz VCMWTCCHBGKDHE-UHFFFAOYSA-N 0 0 474.582 5.132 40 0 JKABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)S(C)(=O)=O)cc1 ZINC000022231658 555890556 /nfs/dbraw/zinc/89/05/56/555890556.db2.gz AEGSTTRZYBVJHK-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1 ZINC000022231649 555890583 /nfs/dbraw/zinc/89/05/83/555890583.db2.gz SRRWVVSCWPPYAG-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000022232181 555891465 /nfs/dbraw/zinc/89/14/65/555891465.db2.gz VZEDXNFBOSYPTA-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN Cc1cc(C)c(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000022232335 555891570 /nfs/dbraw/zinc/89/15/70/555891570.db2.gz VWKJCIQHCFNRHR-UHFFFAOYSA-N 0 0 487.021 5.249 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000022232612 555891943 /nfs/dbraw/zinc/89/19/43/555891943.db2.gz QYVPGSHZKAXIDP-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN COc1ccc(N2C[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3ccc(F)cc3)C2=S)cc1 ZINC000015276698 555892377 /nfs/dbraw/zinc/89/23/77/555892377.db2.gz FVFUEFASRBRSIH-QHCPKHFHSA-N 0 0 498.023 5.535 40 0 JKABRN O=S(=O)(Nc1ccc(Oc2ccc(C3CCCCC3)cc2)c(C(F)(F)F)c1)c1ccccc1 ZINC000015277140 555892592 /nfs/dbraw/zinc/89/25/92/555892592.db2.gz ILMQKTNAVAINOP-UHFFFAOYSA-N 0 0 475.532 7.346 40 0 JKABRN Cc1c(/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000015277394 555892802 /nfs/dbraw/zinc/89/28/02/555892802.db2.gz IZRNEQYYDWQKDN-OHYPFYFLSA-N 0 0 487.028 6.198 40 0 JKABRN CCOC(=O)c1c(C)c(C(=O)NCc2ccccc2)sc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000015277258 555892823 /nfs/dbraw/zinc/89/28/23/555892823.db2.gz GJUNFXMCKVKEHO-UHFFFAOYSA-N 0 0 470.978 5.377 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233088 555893051 /nfs/dbraw/zinc/89/30/51/555893051.db2.gz PYZRPSDPORSYAP-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233082 555893053 /nfs/dbraw/zinc/89/30/53/555893053.db2.gz YQLGGQXPBSTHCU-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233085 555893058 /nfs/dbraw/zinc/89/30/58/555893058.db2.gz RGNLVAMAEAUXRJ-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN CSc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000022233170 555893078 /nfs/dbraw/zinc/89/30/78/555893078.db2.gz RAAPEOYIVVAZSH-UHFFFAOYSA-N 0 0 491.034 5.046 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000022233566 555893575 /nfs/dbraw/zinc/89/35/75/555893575.db2.gz OHULUNNABDRHJO-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN CCC(=O)c1ccc(N[C@H](CC(=O)c2ccc(Br)cc2)c2ccc(O)cc2)cc1 ZINC000015303727 555893938 /nfs/dbraw/zinc/89/39/38/555893938.db2.gz CMRKYLCBDJYTMW-JOCHJYFZSA-N 0 0 452.348 6.174 40 0 JKABRN CCOc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3/N=C(c4ccccc4)OC3=O)cc2c1 ZINC000015303868 555894334 /nfs/dbraw/zinc/89/43/34/555894334.db2.gz YYPCGYXBAZNAJO-LFVJCYFKSA-N 0 0 486.980 6.783 40 0 JKABRN Clc1ccc(Cl)c(-c2ccc(-c3csc(Nc4ccc(Br)cc4)n3)o2)c1 ZINC000015304648 555894704 /nfs/dbraw/zinc/89/47/04/555894704.db2.gz CIZNIYWNGSWRMY-UHFFFAOYSA-N 0 0 466.187 7.883 40 0 JKABRN CCn1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237045 555894797 /nfs/dbraw/zinc/89/47/97/555894797.db2.gz XTEPJXOLSOXDFD-GFCCVEGCSA-N 0 0 467.285 5.294 40 0 JKABRN C/C=C\Cn1c(-c2ccc(OC(=O)c3ccccc3)cc2)cs/c1=N\S(=O)(=O)c1cccs1 ZINC000012042579 555895104 /nfs/dbraw/zinc/89/51/04/555895104.db2.gz NWGHOZHLPLAXDQ-MVEMDUPLSA-N 0 0 496.635 5.363 40 0 JKABRN O=C1OC(c2ccccc2)=N/C1=C\c1cccc(OCc2cccc(I)c2)c1 ZINC000015307035 555895372 /nfs/dbraw/zinc/89/53/72/555895372.db2.gz VXBBCDSUHRLIEH-STZFKDTASA-N 0 0 481.289 5.215 40 0 JKABRN COc1ccc(C=Cc2nc3ccccc3nc2OCC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000015321285 555898448 /nfs/dbraw/zinc/89/84/48/555898448.db2.gz BATDESGGSQUOGX-ATVHPVEESA-N 0 0 450.538 5.949 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c2ccccc2)cc1 ZINC000015322058 555898784 /nfs/dbraw/zinc/89/87/84/555898784.db2.gz LUBMVSBWFZLBQV-RUZDIDTESA-N 0 0 483.033 5.342 40 0 JKABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022248754 555898987 /nfs/dbraw/zinc/89/89/87/555898987.db2.gz FOXXYCXDAWCBPZ-UHFFFAOYSA-N 0 0 488.993 5.180 40 0 JKABRN COc1cc(C(=O)Nc2cccc3ccccc32)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253399 555901838 /nfs/dbraw/zinc/90/18/38/555901838.db2.gz LLLYGAWWOWEVJP-UHFFFAOYSA-N 0 0 490.581 5.076 40 0 JKABRN Cc1ccc(-c2noc(CNS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)cc1 ZINC000022255295 555903235 /nfs/dbraw/zinc/90/32/35/555903235.db2.gz TYWCIHHBXGCSSE-UHFFFAOYSA-N 0 0 455.624 5.894 40 0 JKABRN Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)cc1 ZINC000022255298 555903295 /nfs/dbraw/zinc/90/32/95/555903295.db2.gz BZTFMUICECSAFS-UHFFFAOYSA-N 0 0 469.651 6.236 40 0 JKABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)cc1 ZINC000022255311 555903298 /nfs/dbraw/zinc/90/32/98/555903298.db2.gz BEHRANKJTQSMCA-UHFFFAOYSA-N 0 0 485.650 5.936 40 0 JKABRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255465 555903570 /nfs/dbraw/zinc/90/35/70/555903570.db2.gz KPFSFCOSMFJUQS-UHFFFAOYSA-N 0 0 454.313 5.552 40 0 JKABRN Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)CC(C)C)C2)cc1 ZINC000022255926 555904133 /nfs/dbraw/zinc/90/41/33/555904133.db2.gz QQQWRDBSQMXXRK-NRFANRHFSA-N 0 0 467.013 5.600 40 0 JKABRN CC[C@@H](C)N(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256174 555904152 /nfs/dbraw/zinc/90/41/52/555904152.db2.gz FLUNPANPDZGRHI-IRLDBZIGSA-N 0 0 462.594 5.097 40 0 JKABRN Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C3CCCC3)C2)cc1 ZINC000022255961 555904157 /nfs/dbraw/zinc/90/41/57/555904157.db2.gz RCKVYJLGYOXBCB-OAQYLSRUSA-N 0 0 479.024 5.886 40 0 JKABRN CC[C@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022255948 555904163 /nfs/dbraw/zinc/90/41/63/555904163.db2.gz GGVCXRVQGSHMTB-FPOVZHCZSA-N 0 0 467.013 5.742 40 0 JKABRN COc1ccc(-c2noc(CN(C(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)C3CCCCC3)n2)cc1 ZINC000022256206 555904297 /nfs/dbraw/zinc/90/42/97/555904297.db2.gz RGYHTOTVQIXHIW-QHCPKHFHSA-N 0 0 488.632 5.632 40 0 JKABRN O=C(c1cccc(OCc2ccccc2Cl)c1)N(Cc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000022256452 555904334 /nfs/dbraw/zinc/90/43/34/555904334.db2.gz QUWONXVBDAPMEF-UHFFFAOYSA-N 0 0 487.987 6.554 40 0 JKABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)C ZINC000022256653 555904662 /nfs/dbraw/zinc/90/46/62/555904662.db2.gz UIUOGBQOOCBJAF-UHFFFAOYSA-N 0 0 470.378 5.041 40 0 JKABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000022256661 555904726 /nfs/dbraw/zinc/90/47/26/555904726.db2.gz BNOXDEBREUMZGR-UHFFFAOYSA-N 0 0 496.416 5.576 40 0 JKABRN CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCC2)cc1 ZINC000022257002 555904900 /nfs/dbraw/zinc/90/49/00/555904900.db2.gz ICWUITFZRXKTAL-UHFFFAOYSA-N 0 0 459.999 5.647 40 0 JKABRN Cc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 ZINC000022256960 555904947 /nfs/dbraw/zinc/90/49/47/555904947.db2.gz VDKXJTMMXQACAI-UHFFFAOYSA-N 0 0 453.608 5.692 40 0 JKABRN CCCCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000022268622 555907831 /nfs/dbraw/zinc/90/78/31/555907831.db2.gz DCGZSUPKWXQLRY-AREMUKBSSA-N 0 0 494.657 5.265 40 0 JKABRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccc(Br)cc1 ZINC000012105289 555908128 /nfs/dbraw/zinc/90/81/28/555908128.db2.gz KJCRKISTGGPSHA-UHFFFAOYSA-N 0 0 479.403 5.351 40 0 JKABRN Cc1cccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000022273863 555910387 /nfs/dbraw/zinc/91/03/87/555910387.db2.gz XVECWIKHDNETPO-UHFFFAOYSA-N 0 0 484.621 5.419 40 0 JKABRN Cc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000022274020 555910592 /nfs/dbraw/zinc/91/05/92/555910592.db2.gz ZXZMYPNLRNCYKI-UHFFFAOYSA-N 0 0 498.648 5.728 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022273921 555910603 /nfs/dbraw/zinc/91/06/03/555910603.db2.gz WEOSLVUACBMELX-UHFFFAOYSA-N 0 0 486.593 5.930 40 0 JKABRN CCOc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000022274153 555910642 /nfs/dbraw/zinc/91/06/42/555910642.db2.gz AOCYIZVMFRNBPF-UHFFFAOYSA-N 0 0 452.576 5.043 40 0 JKABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000022274195 555910955 /nfs/dbraw/zinc/91/09/55/555910955.db2.gz ZNCUFOHDVRYCPR-UHFFFAOYSA-N 0 0 468.884 5.193 40 0 JKABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000022274608 555911562 /nfs/dbraw/zinc/91/15/62/555911562.db2.gz NOAKKVFUCRCORF-UHFFFAOYSA-N 0 0 469.777 5.481 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022274793 555911835 /nfs/dbraw/zinc/91/18/35/555911835.db2.gz CNTNGUXHWLRTGJ-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000022274849 555911854 /nfs/dbraw/zinc/91/18/54/555911854.db2.gz GDHYJNSLIFJLTN-UHFFFAOYSA-N 0 0 456.995 5.606 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c2cccc(C)c2)cc1 ZINC000022275256 555912201 /nfs/dbraw/zinc/91/22/01/555912201.db2.gz BSIMUCKCGVYSQL-UHFFFAOYSA-N 0 0 486.593 5.930 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2ccc(C)cc2C)cc1 ZINC000022275434 555912397 /nfs/dbraw/zinc/91/23/97/555912397.db2.gz LAQQDIZHKWLJRO-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000022275741 555912792 /nfs/dbraw/zinc/91/27/92/555912792.db2.gz SVAMZKLSBDOLOR-UHFFFAOYSA-N 0 0 464.631 6.076 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(C(C)C)cc2)cc1 ZINC000022275724 555912807 /nfs/dbraw/zinc/91/28/07/555912807.db2.gz VFHPDSVNHOWEFJ-UHFFFAOYSA-N 0 0 450.604 5.569 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(C(C)C)cc2)cc1 ZINC000022275716 555912821 /nfs/dbraw/zinc/91/28/21/555912821.db2.gz MVBVCQZTBXEUCG-UHFFFAOYSA-N 0 0 450.604 5.569 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2cccc(Cl)c2)cc1 ZINC000022275961 555913072 /nfs/dbraw/zinc/91/30/72/555913072.db2.gz BHYACCDAVDJKNS-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C(C)C)cc2)cc1 ZINC000022275818 555913146 /nfs/dbraw/zinc/91/31/46/555913146.db2.gz VQHFMBFPAMMZNA-UHFFFAOYSA-N 0 0 491.440 6.259 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)cc1 ZINC000022276153 555913379 /nfs/dbraw/zinc/91/33/79/555913379.db2.gz ZIJUDXMIVZUPAF-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccc(Br)cc2)cc1 ZINC000022276398 555913765 /nfs/dbraw/zinc/91/37/65/555913765.db2.gz YIUAOOYIICHNBD-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN CCOc1ccccc1N(CC(=O)Nc1cccc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000022276578 555914044 /nfs/dbraw/zinc/91/40/44/555914044.db2.gz USSSJGPNNKSPLQ-UHFFFAOYSA-N 0 0 474.582 5.381 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276629 555914098 /nfs/dbraw/zinc/91/40/98/555914098.db2.gz WLTBEDKRUAUVQZ-UHFFFAOYSA-N 0 0 466.603 5.351 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276824 555914361 /nfs/dbraw/zinc/91/43/61/555914361.db2.gz SFUOOXLNGGJLCM-UHFFFAOYSA-N 0 0 476.520 5.465 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276806 555914362 /nfs/dbraw/zinc/91/43/62/555914362.db2.gz RQUUUACJXZBKDA-UHFFFAOYSA-N 0 0 462.493 5.156 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276839 555914364 /nfs/dbraw/zinc/91/43/64/555914364.db2.gz HEADQSTYMBSNHG-UHFFFAOYSA-N 0 0 490.547 5.971 40 0 JKABRN CCOc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276870 555914365 /nfs/dbraw/zinc/91/43/65/555914365.db2.gz CLXPXGITQMLLEI-UHFFFAOYSA-N 0 0 492.519 5.247 40 0 JKABRN COc1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022277076 555914626 /nfs/dbraw/zinc/91/46/26/555914626.db2.gz QGZNFLFZPNNYKS-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277060 555914640 /nfs/dbraw/zinc/91/46/40/555914640.db2.gz LLUUPUXKONJLDT-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN CCc1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277051 555914662 /nfs/dbraw/zinc/91/46/62/555914662.db2.gz QWBJDLZDLQETCU-UHFFFAOYSA-N 0 0 477.413 5.698 40 0 JKABRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277240 555914885 /nfs/dbraw/zinc/91/48/85/555914885.db2.gz TUAZPSHKKSTUFS-UHFFFAOYSA-N 0 0 472.994 5.108 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2cc(Cl)ccc2C)cc1 ZINC000022277621 555915114 /nfs/dbraw/zinc/91/51/14/555915114.db2.gz XOUAMSVOLHCTCY-UHFFFAOYSA-N 0 0 471.022 5.914 40 0 JKABRN COc1ccc(C)cc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277383 555915120 /nfs/dbraw/zinc/91/51/20/555915120.db2.gz DHOOGZRVUJLZJL-UHFFFAOYSA-N 0 0 492.519 5.165 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cc(Cl)ccc2C)cc1 ZINC000022277604 555915158 /nfs/dbraw/zinc/91/51/58/555915158.db2.gz YVAPRFKYJATXCO-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cc(Cl)ccc2C)cc1 ZINC000022277613 555915181 /nfs/dbraw/zinc/91/51/81/555915181.db2.gz WRUJGAVXARPQPF-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(Cl)cc2C)cc1 ZINC000022277466 555915188 /nfs/dbraw/zinc/91/51/88/555915188.db2.gz TXCFAFYMOPYZHM-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cc(Cl)ccc2C)cc1 ZINC000022277617 555915193 /nfs/dbraw/zinc/91/51/93/555915193.db2.gz IFPPXVPCVSRIPX-UHFFFAOYSA-N 0 0 456.995 5.408 40 0 JKABRN CCOc1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277518 555915206 /nfs/dbraw/zinc/91/52/06/555915206.db2.gz YWOQWXKPNYYZJT-UHFFFAOYSA-N 0 0 472.994 5.190 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2C)cc1 ZINC000022277673 555915450 /nfs/dbraw/zinc/91/54/50/555915450.db2.gz FYJLQKSRPHEBMJ-UHFFFAOYSA-N 0 0 496.938 5.810 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2cc(Cl)ccc2C)cc1 ZINC000022277680 555915466 /nfs/dbraw/zinc/91/54/66/555915466.db2.gz JRWCSUATMYSYCE-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2cccc(Cl)c2C)cc1 ZINC000022277859 555915694 /nfs/dbraw/zinc/91/56/94/555915694.db2.gz OUDZHHFYEYVBFX-UHFFFAOYSA-N 0 0 497.831 6.098 40 0 JKABRN COc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022278091 555916023 /nfs/dbraw/zinc/91/60/23/555916023.db2.gz RAJSKWXPIVTCBG-UHFFFAOYSA-N 0 0 472.994 5.108 40 0 JKABRN COc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022278110 555916072 /nfs/dbraw/zinc/91/60/72/555916072.db2.gz VUZGIDOWDBQIOT-UHFFFAOYSA-N 0 0 495.000 5.644 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000022278521 555916205 /nfs/dbraw/zinc/91/62/05/555916205.db2.gz YBKBUVVGLSCLMX-UHFFFAOYSA-N 0 0 496.629 5.278 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccc(C)cc2)cc1 ZINC000022278586 555916494 /nfs/dbraw/zinc/91/64/94/555916494.db2.gz YKLFLYNLWQIBGP-UHFFFAOYSA-N 0 0 466.603 5.351 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C)cc2)cc1 ZINC000022278606 555916511 /nfs/dbraw/zinc/91/65/11/555916511.db2.gz SDLGYHVNVKJJKF-UHFFFAOYSA-N 0 0 493.412 5.535 40 0 JKABRN Cc1cc(C)cc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000022278743 555916550 /nfs/dbraw/zinc/91/65/50/555916550.db2.gz BGQMKRWQQNTFLJ-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN CC(C)c1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022278687 555916557 /nfs/dbraw/zinc/91/65/57/555916557.db2.gz LCCIWFOSWJLBTE-UHFFFAOYSA-N 0 0 477.413 5.951 40 0 JKABRN Cc1cc(C)cc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000022278679 555916568 /nfs/dbraw/zinc/91/65/68/555916568.db2.gz SGIVMBHZRLIMFV-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 ZINC000022278712 555916570 /nfs/dbraw/zinc/91/65/70/555916570.db2.gz CNXHMTGVQKQQPU-UHFFFAOYSA-N 0 0 485.392 5.981 40 0 JKABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015587650 555917196 /nfs/dbraw/zinc/91/71/96/555917196.db2.gz QBBCJYWMEWCBGZ-UHFFFAOYSA-N 0 0 463.386 5.186 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000015587491 555917218 /nfs/dbraw/zinc/91/72/18/555917218.db2.gz LKZPXJMDNAJAHN-UHFFFAOYSA-N 0 0 455.370 5.972 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022307568 555919660 /nfs/dbraw/zinc/91/96/60/555919660.db2.gz FUQQFRPMYRFQAN-LJQANCHMSA-N 0 0 490.547 5.395 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022310309 555920017 /nfs/dbraw/zinc/92/00/17/555920017.db2.gz LNCLEJGICTUNRQ-HSZRJFAPSA-N 0 0 487.021 5.120 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022310313 555920085 /nfs/dbraw/zinc/92/00/85/555920085.db2.gz LNCLEJGICTUNRQ-QHCPKHFHSA-N 0 0 487.021 5.120 40 0 JKABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022311541 555920305 /nfs/dbraw/zinc/92/03/05/555920305.db2.gz SCSQKEXMYZISRT-HXUWFJFHSA-N 0 0 471.022 5.338 40 0 JKABRN CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022310912 555920408 /nfs/dbraw/zinc/92/04/08/555920408.db2.gz SZDFYVUKAKPKBK-HSZRJFAPSA-N 0 0 487.021 5.120 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2cc(C)cc(C)c2)cc1 ZINC000022318319 555920981 /nfs/dbraw/zinc/92/09/81/555920981.db2.gz CKJZTUBMZURGPI-AREMUKBSSA-N 0 0 462.615 5.001 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022318801 555921076 /nfs/dbraw/zinc/92/10/76/555921076.db2.gz UBILZJFFZVTOLZ-SANMLTNESA-N 0 0 480.630 5.083 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(C(C)C)cc2)cc1 ZINC000022319629 555921240 /nfs/dbraw/zinc/92/12/40/555921240.db2.gz SPIGQFYEAQBXMB-QHCPKHFHSA-N 0 0 478.658 5.808 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2cccc(Cl)c2)cc1 ZINC000022320473 555921279 /nfs/dbraw/zinc/92/12/79/555921279.db2.gz XSWGMVHSLRLPNI-XMMPIXPASA-N 0 0 469.006 5.038 40 0 JKABRN CC[C@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022320067 555921284 /nfs/dbraw/zinc/92/12/84/555921284.db2.gz XLEMUSMJNMZJOQ-QHCPKHFHSA-N 0 0 487.021 5.120 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccc(Cl)cc2)cc1 ZINC000022320914 555921317 /nfs/dbraw/zinc/92/13/17/555921317.db2.gz VCZQUWRSDCHNMD-HXUWFJFHSA-N 0 0 471.022 5.338 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022320062 555921324 /nfs/dbraw/zinc/92/13/24/555921324.db2.gz XLEMUSMJNMZJOQ-HSZRJFAPSA-N 0 0 487.021 5.120 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2ccc(Cl)cc2C)cc1 ZINC000022325152 555922015 /nfs/dbraw/zinc/92/20/15/555922015.db2.gz WZUQQJMRLUMLAE-DEOSSOPVSA-N 0 0 483.033 5.346 40 0 JKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000015657783 555922219 /nfs/dbraw/zinc/92/22/19/555922219.db2.gz PUUPGXQPWDWTPH-GTPODGLVSA-N 0 0 456.755 8.596 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(C)cc2)cc1 ZINC000022344978 555923537 /nfs/dbraw/zinc/92/35/37/555923537.db2.gz XWUQZUSIJLVAGD-QFIPXVFZSA-N 0 0 480.630 5.083 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000022363127 555926060 /nfs/dbraw/zinc/92/60/60/555926060.db2.gz PETXUSATVXOAJQ-NRFANRHFSA-N 0 0 485.049 5.646 40 0 JKABRN CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022367066 555926234 /nfs/dbraw/zinc/92/62/34/555926234.db2.gz FRGOQAJQXPQDCF-ZIDAKKETSA-N 0 0 492.685 5.114 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022373985 555927195 /nfs/dbraw/zinc/92/71/95/555927195.db2.gz NQBZWVYPCICWLN-SFHVURJKSA-N 0 0 474.985 5.169 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000022522985 555930888 /nfs/dbraw/zinc/93/08/88/555930888.db2.gz DYBLFRIEXILZMN-VWLOTQADSA-N 0 0 466.603 5.322 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1 ZINC000022530277 555931549 /nfs/dbraw/zinc/93/15/49/555931549.db2.gz OJQGTJQSPNHPPM-LJQANCHMSA-N 0 0 450.538 7.179 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2sc3ccccc3c2Cl)cc1 ZINC000022531076 555931870 /nfs/dbraw/zinc/93/18/70/555931870.db2.gz LLPWVVVSPRFRKJ-UHFFFAOYSA-N 0 0 450.947 5.973 40 0 JKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cccc2c(Br)cccc12 ZINC000022531531 555932075 /nfs/dbraw/zinc/93/20/75/555932075.db2.gz YPZXIOKKOFWLNS-UHFFFAOYSA-N 0 0 451.345 5.588 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000022531294 555932156 /nfs/dbraw/zinc/93/21/56/555932156.db2.gz DCJBXQMJDYBKKD-INIZCTEOSA-N 0 0 450.991 7.148 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c(Cl)c1 ZINC000022532718 555932409 /nfs/dbraw/zinc/93/24/09/555932409.db2.gz BLOZHFUVGDQZBY-UHFFFAOYSA-N 0 0 451.935 5.597 40 0 JKABRN Cc1ccc(C)c(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022532473 555932412 /nfs/dbraw/zinc/93/24/12/555932412.db2.gz NGTAPSOQGAXXNY-UHFFFAOYSA-N 0 0 451.586 5.686 40 0 JKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000022534801 555932951 /nfs/dbraw/zinc/93/29/51/555932951.db2.gz LDNRWOWMUBPZIV-GRNBYLDVSA-N 0 0 453.007 6.948 40 0 JKABRN CC[C@H](C)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000022534767 555932969 /nfs/dbraw/zinc/93/29/69/555932969.db2.gz ULVJNLFDGGNPNG-GRNBYLDVSA-N 0 0 453.007 6.948 40 0 JKABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022535892 555933278 /nfs/dbraw/zinc/93/32/78/555933278.db2.gz IRLUJYZYNYODIC-UHFFFAOYSA-N 0 0 453.976 5.752 40 0 JKABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022535881 555933345 /nfs/dbraw/zinc/93/33/45/555933345.db2.gz NMZGVESRVDJSRR-UHFFFAOYSA-N 0 0 453.976 5.752 40 0 JKABRN Cc1cc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c(C)cc1I ZINC000022537299 555933958 /nfs/dbraw/zinc/93/39/58/555933958.db2.gz GKWBFKRKRRIWNH-UHFFFAOYSA-N 0 0 455.339 5.853 40 0 JKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1sc2ccccc2c1Cl ZINC000022537368 555934235 /nfs/dbraw/zinc/93/42/35/555934235.db2.gz CFXBVPAORJPTNZ-UHFFFAOYSA-N 0 0 455.391 7.737 40 0 JKABRN FC(F)(F)c1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022537530 555934261 /nfs/dbraw/zinc/93/42/61/555934261.db2.gz VCPQOCQCXUDHIX-UHFFFAOYSA-N 0 0 455.549 5.809 40 0 JKABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000022562420 555934596 /nfs/dbraw/zinc/93/45/96/555934596.db2.gz UBYHYKYSKRUBQQ-UHFFFAOYSA-N 0 0 456.365 5.078 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Cl)c3N3CCOCC3)o2)cc1Cl ZINC000022563888 555934781 /nfs/dbraw/zinc/93/47/81/555934781.db2.gz XIHUZMLPUKZSDL-CSKARUKUSA-N 0 0 457.357 6.050 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000022563577 555934839 /nfs/dbraw/zinc/93/48/39/555934839.db2.gz XXNCHHMTGXVZBO-UHFFFAOYSA-N 0 0 456.929 7.179 40 0 JKABRN COc1ccc(OC)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000022563617 555934880 /nfs/dbraw/zinc/93/48/80/555934880.db2.gz JSNYZIJCQLZKPX-DHZHZOJOSA-N 0 0 456.951 5.452 40 0 JKABRN CCCCc1ccc(-n2nc3ccc(NC(=O)COc4ccc([C@H](C)CC)cc4)cc3n2)cc1 ZINC000022563308 555934894 /nfs/dbraw/zinc/93/48/94/555934894.db2.gz CHXBUGHMLLJBAB-HXUWFJFHSA-N 0 0 456.590 6.294 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 ZINC000022564501 555935253 /nfs/dbraw/zinc/93/52/53/555935253.db2.gz LWNLDZVNNCYIBX-UHFFFAOYSA-N 0 0 457.578 5.615 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)C=Cc1ccccc1 ZINC000022564378 555935349 /nfs/dbraw/zinc/93/53/49/555935349.db2.gz ULYPCBJTXSRFDY-FMIVXFBMSA-N 0 0 457.555 5.647 40 0 JKABRN CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1 ZINC000022564515 555935358 /nfs/dbraw/zinc/93/53/58/555935358.db2.gz BMTVREQECPMYQW-UHFFFAOYSA-N 0 0 457.578 5.616 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1 ZINC000022564212 555935367 /nfs/dbraw/zinc/93/53/67/555935367.db2.gz FHRNANKLRYZCPD-GOSISDBHSA-N 0 0 457.526 6.000 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(OC)cc2)cc1 ZINC000022564861 555935513 /nfs/dbraw/zinc/93/55/13/555935513.db2.gz GYBIPIWDBBOGPK-UHFFFAOYSA-N 0 0 458.341 6.026 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2OC)cc1 ZINC000022564828 555935519 /nfs/dbraw/zinc/93/55/19/555935519.db2.gz ARICFIIJZIZKNB-UHFFFAOYSA-N 0 0 458.341 6.026 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000022564917 555935534 /nfs/dbraw/zinc/93/55/34/555935534.db2.gz SSWSUJWRVQJAIF-UHFFFAOYSA-N 0 0 458.395 6.397 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccccc2)cc1 ZINC000022564833 555935598 /nfs/dbraw/zinc/93/55/98/555935598.db2.gz MUWQUSSLSRYEBQ-UHFFFAOYSA-N 0 0 458.341 5.782 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(OC)cc2)cc1 ZINC000022564842 555935611 /nfs/dbraw/zinc/93/56/11/555935611.db2.gz VFQZPIWZAIDBLE-UHFFFAOYSA-N 0 0 458.341 6.026 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000022565622 555935897 /nfs/dbraw/zinc/93/58/97/555935897.db2.gz DWQZZSMVZFKDJT-HXUWFJFHSA-N 0 0 458.602 6.767 40 0 JKABRN CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccc(SC)cc2)Nc2ccccc2S3)cc1 ZINC000022565654 555935924 /nfs/dbraw/zinc/93/59/24/555935924.db2.gz MBAKAZQPSVOZFN-HSZRJFAPSA-N 0 0 458.608 6.057 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2cc(C)cc(C)c2)ccc1-c1cc2ccccc2oc1=O ZINC000022565352 555935979 /nfs/dbraw/zinc/93/59/79/555935979.db2.gz RHIFSOHSTDRQNK-UHFFFAOYSA-N 0 0 458.539 5.212 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000022565627 555935985 /nfs/dbraw/zinc/93/59/85/555935985.db2.gz DWQZZSMVZFKDJT-FQEVSTJZSA-N 0 0 458.602 6.767 40 0 JKABRN CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccc(SC)cc2)Nc2ccccc2S3)cc1 ZINC000022565649 555935997 /nfs/dbraw/zinc/93/59/97/555935997.db2.gz MBAKAZQPSVOZFN-QHCPKHFHSA-N 0 0 458.608 6.057 40 0 JKABRN COc1cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)nc2cc1Cl ZINC000022566430 555936177 /nfs/dbraw/zinc/93/61/77/555936177.db2.gz MQASKOQLSYGVNK-SOFGYWHQSA-N 0 0 459.354 6.832 40 0 JKABRN CCOc1ccc(Nc2nc(Nc3ccc(OCC)cc3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000022570966 555937399 /nfs/dbraw/zinc/93/73/99/555937399.db2.gz GCXGTOYUJLQVKC-OALUTQOASA-N 0 0 462.598 5.639 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000022571653 555937670 /nfs/dbraw/zinc/93/76/70/555937670.db2.gz TWNIAMSJUJCRKI-QGZVFWFLSA-N 0 0 462.977 7.296 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)C(C)(c2ccccc2)c2ccccc2)cc1 ZINC000022573998 555938085 /nfs/dbraw/zinc/93/80/85/555938085.db2.gz QTSMLGBQEQOIQA-UHFFFAOYSA-N 0 0 464.565 5.798 40 0 JKABRN Cc1cc(NC(=O)c2cc(Br)ccc2Cl)c(C)cc1I ZINC000022573688 555938090 /nfs/dbraw/zinc/93/80/90/555938090.db2.gz PXYHGFKFWFYTQK-UHFFFAOYSA-N 0 0 464.528 5.576 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2)cc1 ZINC000022574850 555938346 /nfs/dbraw/zinc/93/83/46/555938346.db2.gz PLXRWNFSGHKROS-UHFFFAOYSA-N 0 0 464.993 6.686 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3C(F)(F)F)o2)cc1Cl ZINC000022574591 555938411 /nfs/dbraw/zinc/93/84/11/555938411.db2.gz SJNVCXNWYFZEES-PKNBQFBNSA-N 0 0 464.896 6.454 40 0 JKABRN Cc1nc(NC(=O)c2cccc3c(Br)cccc23)ccc1I ZINC000022578652 555939074 /nfs/dbraw/zinc/93/90/74/555939074.db2.gz LQPWADGJUSYNLQ-UHFFFAOYSA-N 0 0 467.104 5.163 40 0 JKABRN CCCCC(=O)NC(=S)N(Cc1ccc(Cl)cc1Cl)c1ccc(C(=O)OCC)cc1 ZINC000022578927 555939312 /nfs/dbraw/zinc/93/93/12/555939312.db2.gz LTPYIEYOZNIAGJ-UHFFFAOYSA-N 0 0 467.418 5.768 40 0 JKABRN CCCCC(=O)NC(=S)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)OCC)cc1 ZINC000022578922 555939350 /nfs/dbraw/zinc/93/93/50/555939350.db2.gz RTFQTVHLSSMTLG-UHFFFAOYSA-N 0 0 467.418 5.768 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=S)NC(=O)CC(C)C)cc1 ZINC000022578917 555939355 /nfs/dbraw/zinc/93/93/55/555939355.db2.gz VPGLIJZEQBPSTG-UHFFFAOYSA-N 0 0 467.418 5.624 40 0 JKABRN COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1N1C(=O)c2ccccc2C1=O ZINC000022578677 555939359 /nfs/dbraw/zinc/93/93/59/555939359.db2.gz LETUWAXVBGPARK-YRNVUSSQSA-N 0 0 467.308 5.455 40 0 JKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2ccc(Br)cc2)o1 ZINC000022578717 555939362 /nfs/dbraw/zinc/93/93/62/555939362.db2.gz IFMMPCTWCOOTTD-UHFFFAOYSA-N 0 0 467.344 5.695 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1Cl ZINC000022579939 555939652 /nfs/dbraw/zinc/93/96/52/555939652.db2.gz CBTBBLFBQANVKO-UHFFFAOYSA-N 0 0 468.003 6.066 40 0 JKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C)c(Cl)c1 ZINC000022579927 555939671 /nfs/dbraw/zinc/93/96/71/555939671.db2.gz ZZNDQLHUNKVGDT-UHFFFAOYSA-N 0 0 468.003 6.061 40 0 JKABRN Cc1cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc(-c2nc3ccccc3s2)c1O ZINC000022579968 555939699 /nfs/dbraw/zinc/93/96/99/555939699.db2.gz DQOQBIFWFXNLNP-UHFFFAOYSA-N 0 0 468.003 5.686 40 0 JKABRN CC(C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)(c1ccccc1)c1ccccc1 ZINC000022705193 555942839 /nfs/dbraw/zinc/94/28/39/555942839.db2.gz YCPIHEWMRZLRBI-UHFFFAOYSA-N 0 0 469.009 7.561 40 0 JKABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000022705143 555942841 /nfs/dbraw/zinc/94/28/41/555942841.db2.gz SRPLHZJVKZHKSS-RZXPCSSPSA-N 0 0 469.006 6.654 40 0 JKABRN CC[C@@H](C)C(=O)N1c2ccc(OC(=O)c3ccccc3)cc2-c2c(=S)ssc2C1(C)C ZINC000022705989 555943226 /nfs/dbraw/zinc/94/32/26/555943226.db2.gz OCECVFSKHFPTCX-CQSZACIVSA-N 0 0 469.653 7.053 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc([C@H](C)CC)ccc4o3)ccc2C)cc1 ZINC000022706846 555943724 /nfs/dbraw/zinc/94/37/24/555943724.db2.gz OCLWFEPABNTSCV-WOJBJXKFSA-N 0 0 470.613 7.848 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)nc2c1 ZINC000022707116 555943792 /nfs/dbraw/zinc/94/37/92/555943792.db2.gz JVLLYQLZQCJNHU-KRWDZBQOSA-N 0 0 470.956 8.174 40 0 JKABRN COc1c(Cl)cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl ZINC000022707425 555943935 /nfs/dbraw/zinc/94/39/35/555943935.db2.gz ZVHROFJDDBKWOH-UHFFFAOYSA-N 0 0 471.384 6.804 40 0 JKABRN CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)c1 ZINC000022707781 555944244 /nfs/dbraw/zinc/94/42/44/555944244.db2.gz NJTBYWVRNMTXGW-UHFFFAOYSA-N 0 0 471.605 6.006 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000022707810 555944300 /nfs/dbraw/zinc/94/43/00/555944300.db2.gz JLZYWQOBHRSDMR-SFHVURJKSA-N 0 0 471.626 7.060 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc(-c2nc3ccccc3o2)c1O ZINC000022707991 555944433 /nfs/dbraw/zinc/94/44/33/555944433.db2.gz BQZDOHXDQUEZBF-UHFFFAOYSA-N 0 0 472.353 5.942 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(OCC)c2)cc1 ZINC000022708022 555944456 /nfs/dbraw/zinc/94/44/56/555944456.db2.gz FNFNLUPJFWWTJD-UHFFFAOYSA-N 0 0 472.368 6.416 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000022708061 555944510 /nfs/dbraw/zinc/94/45/10/555944510.db2.gz MOMMQYOCURSIMJ-UHFFFAOYSA-N 0 0 472.397 5.989 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccc(C3CCCCC3)cc2)cc1 ZINC000022708416 555944789 /nfs/dbraw/zinc/94/47/89/555944789.db2.gz BICVNQPSFCPJHC-UHFFFAOYSA-N 0 0 472.585 5.918 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(-c5ccccc5F)nc4c3)o2)cc1Cl ZINC000022708693 555945139 /nfs/dbraw/zinc/94/51/39/555945139.db2.gz KVIVPGVECDNALM-JLHYYAGUSA-N 0 0 472.903 7.508 40 0 JKABRN O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022709871 555945321 /nfs/dbraw/zinc/94/53/21/555945321.db2.gz BCMRIFDYVVYQFU-UHFFFAOYSA-N 0 0 473.779 6.397 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cc(C)cc(C)c1 ZINC000022709644 555945419 /nfs/dbraw/zinc/94/54/19/555945419.db2.gz SCWHXUKOBHXVMC-UHFFFAOYSA-N 0 0 473.598 6.370 40 0 JKABRN CCOc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1Br ZINC000022710078 555945427 /nfs/dbraw/zinc/94/54/27/555945427.db2.gz FCQDMKFMIQPRCV-UHFFFAOYSA-N 0 0 474.136 5.322 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000022712345 555946299 /nfs/dbraw/zinc/94/62/99/555946299.db2.gz KCXJASVLHQMJDW-UHFFFAOYSA-N 0 0 476.401 6.575 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)o2)cc1Cl ZINC000022712297 555946320 /nfs/dbraw/zinc/94/63/20/555946320.db2.gz SQLYBDGNTZDTBD-SDNWHVSQSA-N 0 0 476.359 7.445 40 0 JKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022713361 555946541 /nfs/dbraw/zinc/94/65/41/555946541.db2.gz NWQPKZFFPBEHOU-UHFFFAOYSA-N 0 0 477.029 7.682 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc3ccccc32)cc1 ZINC000022714269 555947135 /nfs/dbraw/zinc/94/71/35/555947135.db2.gz QYULERDVXYYJJO-UHFFFAOYSA-N 0 0 478.375 7.170 40 0 JKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012249600 555947263 /nfs/dbraw/zinc/94/72/63/555947263.db2.gz DAQXRDNSQNUBIJ-UHFFFAOYSA-N 0 0 478.279 5.705 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 ZINC000022716277 555947760 /nfs/dbraw/zinc/94/77/60/555947760.db2.gz CGWCHRZQUAHCQC-UHFFFAOYSA-N 0 0 479.583 5.121 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl ZINC000022716756 555947773 /nfs/dbraw/zinc/94/77/73/555947773.db2.gz UUWDBMXWGIJAPT-UHFFFAOYSA-N 0 0 480.033 6.325 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc5ccccc54)cc3n2)cc1 ZINC000022716316 555947779 /nfs/dbraw/zinc/94/77/79/555947779.db2.gz PNMRLHVJQLYGBU-UHFFFAOYSA-N 0 0 479.584 5.746 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(N4CCCCC4)cc3)o2)cc1Cl ZINC000022716744 555947787 /nfs/dbraw/zinc/94/77/87/555947787.db2.gz SGCKOVQOROOLTC-WYMLVPIESA-N 0 0 480.033 6.425 40 0 JKABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000022716764 555947789 /nfs/dbraw/zinc/94/77/89/555947789.db2.gz AUZUBLOPSQTECK-UHFFFAOYSA-N 0 0 480.058 7.041 40 0 JKABRN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000022717915 555947977 /nfs/dbraw/zinc/94/79/77/555947977.db2.gz CJDCSMNYPUEUTL-UHFFFAOYSA-N 0 0 480.943 5.243 40 0 JKABRN CCCCCC(=O)NC(=S)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)OCC)cc1 ZINC000022718276 555947982 /nfs/dbraw/zinc/94/79/82/555947982.db2.gz VELBXRCMAFUVQA-UHFFFAOYSA-N 0 0 481.445 6.158 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(-c4ccc(C)c(Cl)c4)o3)nc2c(C)c1 ZINC000022739050 555948352 /nfs/dbraw/zinc/94/83/52/555948352.db2.gz PHPXHSXKUVOYOS-VQHVLOKHSA-N 0 0 482.030 6.661 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2cccc(Br)c2)cc(-c2nc3ccccc3o2)c1O ZINC000022739154 555948610 /nfs/dbraw/zinc/94/86/10/555948610.db2.gz AFAJGBDYBPDLMU-UHFFFAOYSA-N 0 0 482.359 5.398 40 0 JKABRN CCc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3)nc2c1 ZINC000022740246 555948913 /nfs/dbraw/zinc/94/89/13/555948913.db2.gz GRHPUXSUSSAHMK-NTCAYCPXSA-N 0 0 482.967 7.931 40 0 JKABRN CCc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)ccc3o2)cc1 ZINC000022740241 555948915 /nfs/dbraw/zinc/94/89/15/555948915.db2.gz VYXWSXGSMHGKEQ-NTCAYCPXSA-N 0 0 482.967 7.931 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(OCC)c(Br)c2)cc1 ZINC000022740529 555948939 /nfs/dbraw/zinc/94/89/39/555948939.db2.gz CGUSBHZYOFPSED-UHFFFAOYSA-N 0 0 483.362 5.267 40 0 JKABRN CCc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)c3)nc2c1 ZINC000022740250 555948956 /nfs/dbraw/zinc/94/89/56/555948956.db2.gz UNCYGDNZUPTAKN-SDNWHVSQSA-N 0 0 482.967 7.931 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)cc2s1 ZINC000022740729 555948973 /nfs/dbraw/zinc/94/89/73/555948973.db2.gz BZESZEUONIKKOB-UHFFFAOYSA-N 0 0 483.549 6.061 40 0 JKABRN CC1(C)c2ssc(=S)c2-c2cc(OC(=O)c3ccccc3)cc3c2N1C(=O)C31OCCO1 ZINC000022740889 555949156 /nfs/dbraw/zinc/94/91/56/555949156.db2.gz MIPZSWLJRJYYEV-UHFFFAOYSA-N 0 0 483.592 5.220 40 0 JKABRN COc1cc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000022740851 555949228 /nfs/dbraw/zinc/94/92/28/555949228.db2.gz UKSILFQVGUAXCQ-UHFFFAOYSA-N 0 0 483.584 5.086 40 0 JKABRN CCOc1ccc2nc(N3CN(c4nc5ccc(OCC)cc5s4)CN(C(C)C)C3)sc2c1 ZINC000022741218 555949238 /nfs/dbraw/zinc/94/92/38/555949238.db2.gz OSAWUXIMQTVLPO-UHFFFAOYSA-N 0 0 483.663 5.613 40 0 JKABRN COc1ccc(OC)c(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022740859 555949260 /nfs/dbraw/zinc/94/92/60/555949260.db2.gz WCPIACAZZUCOLP-UHFFFAOYSA-N 0 0 483.584 5.086 40 0 JKABRN CCCN1CN(c2nc3ccc(OCC)cc3s2)CN(c2nc3ccc(OCC)cc3s2)C1 ZINC000022741214 555949289 /nfs/dbraw/zinc/94/92/89/555949289.db2.gz WRIAILRDARUCBR-UHFFFAOYSA-N 0 0 483.663 5.615 40 0 JKABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000022741372 555949295 /nfs/dbraw/zinc/94/92/95/555949295.db2.gz QXGZCIOTVXIFEQ-UHFFFAOYSA-N 0 0 484.002 5.761 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2)cc1 ZINC000022742187 555949498 /nfs/dbraw/zinc/94/94/98/555949498.db2.gz IXLZRVAFXPBVNF-UHFFFAOYSA-N 0 0 484.640 7.302 40 0 JKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000022742171 555949617 /nfs/dbraw/zinc/94/96/17/555949617.db2.gz FFRXZCKCHXUZAO-UHFFFAOYSA-N 0 0 484.625 5.334 40 0 JKABRN CCCOc1cccc(C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(C(=O)OCC)cc2)c1 ZINC000022743709 555950157 /nfs/dbraw/zinc/95/01/57/555950157.db2.gz MSKCUCCRMBDCFT-UHFFFAOYSA-N 0 0 486.395 6.806 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(OC(C)C)c2)cc1 ZINC000022743653 555950213 /nfs/dbraw/zinc/95/02/13/555950213.db2.gz OANZVZSSZHLWBY-UHFFFAOYSA-N 0 0 486.395 6.804 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc(C)c(C)c4)cc3)nc2c1 ZINC000022745693 555950790 /nfs/dbraw/zinc/95/07/90/555950790.db2.gz JVCKCMHNGAJPEC-KRWDZBQOSA-N 0 0 487.625 6.517 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4cc(C)cc(C)c4)cc3)nc2c1 ZINC000022745678 555950795 /nfs/dbraw/zinc/95/07/95/555950795.db2.gz AXWAJGUSWZCMHQ-IBGZPJMESA-N 0 0 487.625 6.517 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2I)cc1 ZINC000022746060 555950819 /nfs/dbraw/zinc/95/08/19/555950819.db2.gz QGSFAWVHQOKEOO-GFCCVEGCSA-N 0 0 488.163 5.585 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cc4ccncc4)cc3)o2)cc1Cl ZINC000022745962 555950831 /nfs/dbraw/zinc/95/08/31/555950831.db2.gz ZOPNHPRAILJXGB-PKNBQFBNSA-N 0 0 488.012 6.421 40 0 JKABRN COc1ccc(Cl)cc1NC(=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022745918 555950834 /nfs/dbraw/zinc/95/08/34/555950834.db2.gz NHYXGYYGGXOOKB-UHFFFAOYSA-N 0 0 488.003 5.731 40 0 JKABRN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000022745879 555950899 /nfs/dbraw/zinc/95/08/99/555950899.db2.gz QANUOPQKIUIYQQ-PKNBQFBNSA-N 0 0 487.961 5.894 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc(-c2nc3ccccc3s2)c1O ZINC000022746172 555951014 /nfs/dbraw/zinc/95/10/14/555951014.db2.gz MHEXXGDAINBMQD-UHFFFAOYSA-N 0 0 488.421 6.411 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000022746132 555951057 /nfs/dbraw/zinc/95/10/57/555951057.db2.gz XBQYSAAHDIVILM-UHFFFAOYSA-N 0 0 488.396 5.287 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nc4c(cccc4Cl)s3)o2)cc1Cl ZINC000022746186 555951080 /nfs/dbraw/zinc/95/10/80/555951080.db2.gz MDDAQLUVNKXWGK-CSKARUKUSA-N 0 0 488.421 6.698 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4nc5ccccc5[nH]4)ccc3Cl)o2)cc1Cl ZINC000022746099 555951092 /nfs/dbraw/zinc/95/10/92/555951092.db2.gz URCLQYRPHSTISA-JLHYYAGUSA-N 0 0 488.374 7.757 40 0 JKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(OC)c(OC)c3)n2C)cc1 ZINC000012319524 555951113 /nfs/dbraw/zinc/95/11/13/555951113.db2.gz BDJLXPMXMDQKMT-RQZHXJHFSA-N 0 0 460.555 5.188 40 0 JKABRN CCc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3)nn12 ZINC000022748187 555951685 /nfs/dbraw/zinc/95/16/85/555951685.db2.gz HNCALUZXTIOIFJ-ACCUITESSA-N 0 0 489.988 6.289 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)cc1 ZINC000022748430 555952061 /nfs/dbraw/zinc/95/20/61/555952061.db2.gz QBKAXSPSAJZXMC-GFCCVEGCSA-N 0 0 490.428 6.721 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1 ZINC000022750171 555952308 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COc1ccc(CCN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1OC ZINC000012479654 555985489 /nfs/dbraw/zinc/98/54/89/555985489.db2.gz PDRDHIIICSLTMO-RUZDIDTESA-N 0 0 496.629 5.233 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccco2)cc1 ZINC000012479547 555985497 /nfs/dbraw/zinc/98/54/97/555985497.db2.gz ORNOCXARDRRTFJ-HHHXNRCGSA-N 0 0 474.601 5.553 40 0 JKABRN COc1ccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1OC ZINC000012479662 555985504 /nfs/dbraw/zinc/98/55/04/555985504.db2.gz PDRDHIIICSLTMO-VWLOTQADSA-N 0 0 496.629 5.233 40 0 JKABRN O=C(Cc1ccsc1)N(Cc1ccccc1Cl)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012483142 555986064 /nfs/dbraw/zinc/98/60/64/555986064.db2.gz UJLOAQBYSSFYPH-AREMUKBSSA-N 0 0 481.061 6.163 40 0 JKABRN O=C(Cc1ccsc1)N(c1ccc2c(c1)CCC2)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012483097 555986124 /nfs/dbraw/zinc/98/61/24/555986124.db2.gz PNHSFNOIYVVTSY-NDEPHWFRSA-N 0 0 472.654 6.003 40 0 JKABRN Cc1ccc(N(C(=O)Cc2ccsc2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1C ZINC000012482825 555986127 /nfs/dbraw/zinc/98/61/27/555986127.db2.gz VFVMWSVUZMNKFZ-MHZLTWQESA-N 0 0 478.633 6.270 40 0 JKABRN CCc1ccc(N(C(=O)Cc2ccsc2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000012482937 555986132 /nfs/dbraw/zinc/98/61/32/555986132.db2.gz VFUIWBPTQUQAPL-MHZLTWQESA-N 0 0 478.633 6.216 40 0 JKABRN Cc1cc(C)cc(N(C(=O)Cc2ccsc2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000012483344 555986375 /nfs/dbraw/zinc/98/63/75/555986375.db2.gz ZXYLBGBUIJOANK-MHZLTWQESA-N 0 0 460.643 6.131 40 0 JKABRN Cc1ccc(C)c(N(C(=O)Cc2ccsc2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000012483367 555986389 /nfs/dbraw/zinc/98/63/89/555986389.db2.gz BKUZEFLVACWPEN-HHHXNRCGSA-N 0 0 460.643 6.131 40 0 JKABRN Cc1ccc(C)c(N(C(=O)Cc2ccsc2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000012483372 555986390 /nfs/dbraw/zinc/98/63/90/555986390.db2.gz BKUZEFLVACWPEN-MHZLTWQESA-N 0 0 460.643 6.131 40 0 JKABRN O=C(Cc1ccsc1)N(c1cccc(Cl)c1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012483445 555986399 /nfs/dbraw/zinc/98/63/99/555986399.db2.gz QBEIZJOTVJYEFW-RUZDIDTESA-N 0 0 467.034 6.167 40 0 JKABRN O=C(Cc1ccsc1)N(c1ccc2c(c1)OCCO2)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012483576 555986607 /nfs/dbraw/zinc/98/66/07/555986607.db2.gz HKGFQHXUZGFQFL-HHHXNRCGSA-N 0 0 490.625 5.285 40 0 JKABRN CC(C)c1ccc(N(C(=O)Cc2ccsc2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000012483534 555986632 /nfs/dbraw/zinc/98/66/32/555986632.db2.gz HBGORMOXOCPQLB-MUUNZHRXSA-N 0 0 474.670 6.637 40 0 JKABRN CCCCOc1ccc(C2=NNC(c3sc4cc(C)ccc4c3Cl)=Nc3ccccc32)cc1 ZINC000012484254 555986653 /nfs/dbraw/zinc/98/66/53/555986653.db2.gz MFZGDKPAJPVYTK-UHFFFAOYSA-N 0 0 474.029 7.476 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2cc(C)ccc2C)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)s1 ZINC000012484494 555986694 /nfs/dbraw/zinc/98/66/94/555986694.db2.gz POECRGYWSPIDBT-ISKFKSNPSA-N 0 0 477.630 5.060 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2cc(C)ccc2C)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)s1 ZINC000012484484 555986741 /nfs/dbraw/zinc/98/67/41/555986741.db2.gz POECRGYWSPIDBT-LADGPHEKSA-N 0 0 477.630 5.060 40 0 JKABRN Cc1nc(C)c(C(=O)N(Cc2ccc(C)cc2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)s1 ZINC000012485010 555986889 /nfs/dbraw/zinc/98/68/89/555986889.db2.gz NLIXQCMZDCORDF-RUZDIDTESA-N 0 0 475.658 5.901 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(Br)cc1 ZINC000012484870 555986918 /nfs/dbraw/zinc/98/69/18/555986918.db2.gz HGDIYOYGSZFWFU-UHFFFAOYSA-N 0 0 477.406 6.145 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2ccc(C(C)C)cc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)s1 ZINC000012484655 555986934 /nfs/dbraw/zinc/98/69/34/555986934.db2.gz JHJSCMNXSAHMKE-LOSJGSFVSA-N 0 0 491.657 5.567 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2ccc(Cl)cc2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)s1 ZINC000012485069 555986957 /nfs/dbraw/zinc/98/69/57/555986957.db2.gz PAHOETAPNHVEEI-QHCPKHFHSA-N 0 0 482.049 6.250 40 0 JKABRN COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(Br)cc32)cc1 ZINC000012485296 555987317 /nfs/dbraw/zinc/98/73/17/555987317.db2.gz NSMOEASTLADRQV-UHFFFAOYSA-N 0 0 462.391 6.189 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2cc(C)cc(C)c2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)s1 ZINC000012485126 555987340 /nfs/dbraw/zinc/98/73/40/555987340.db2.gz ZFKCVWOFZLOJTC-VWLOTQADSA-N 0 0 475.658 6.214 40 0 JKABRN CCCCOc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1 ZINC000012485125 555987344 /nfs/dbraw/zinc/98/73/44/555987344.db2.gz WHFOJHHRFIDDAY-UHFFFAOYSA-N 0 0 482.809 6.715 40 0 JKABRN COc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1OC ZINC000012486190 555987556 /nfs/dbraw/zinc/98/75/56/555987556.db2.gz WMEHHULTGXNKAP-UHFFFAOYSA-N 0 0 470.754 5.554 40 0 JKABRN CCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(Cl)cc32)cc1OCC ZINC000012485927 555987582 /nfs/dbraw/zinc/98/75/82/555987582.db2.gz YXXRCVCHIYUGLW-UHFFFAOYSA-N 0 0 476.020 6.869 40 0 JKABRN CCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(C)cc32)cc1OCC ZINC000012485839 555987639 /nfs/dbraw/zinc/98/76/39/555987639.db2.gz VOSOVNKASNYHMD-UHFFFAOYSA-N 0 0 455.602 6.524 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000012486815 555988004 /nfs/dbraw/zinc/98/80/04/555988004.db2.gz AFRMJZOKTCUZTA-UHFFFAOYSA-N 0 0 498.007 7.473 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)Nc1cccc(Cl)c1Cl ZINC000012486840 555988011 /nfs/dbraw/zinc/98/80/11/555988011.db2.gz AWBKUYRGBNBNRA-UHFFFAOYSA-N 0 0 474.800 6.988 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc21)Nc1nc(-c2ccccc2)cs1 ZINC000012486771 555988032 /nfs/dbraw/zinc/98/80/32/555988032.db2.gz FKMOBTHAVZDKNP-UHFFFAOYSA-N 0 0 472.570 6.290 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1 ZINC000012488939 555988250 /nfs/dbraw/zinc/98/82/50/555988250.db2.gz NDEPUYHRQKOAOX-DEOSSOPVSA-N 0 0 495.620 5.005 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1cccc(F)c1 ZINC000012488928 555988255 /nfs/dbraw/zinc/98/82/55/555988255.db2.gz OHNWNQIGBJLWAF-DEOSSOPVSA-N 0 0 495.620 5.005 40 0 JKABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccc(C(C)C)cc2)cc1 ZINC000012488288 555988286 /nfs/dbraw/zinc/98/82/86/555988286.db2.gz ZTDRVHLDAHZGSG-AREMUKBSSA-N 0 0 489.616 5.130 40 0 JKABRN CCCCN(CCCC)C(=S)SC(SC(=S)N(CCCC)CCCC)c1ccccc1 ZINC000015770003 555988322 /nfs/dbraw/zinc/98/83/22/555988322.db2.gz NKTYKQJYQZJVTD-UHFFFAOYSA-N 0 0 498.893 8.526 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1 ZINC000012488945 555988342 /nfs/dbraw/zinc/98/83/42/555988342.db2.gz NDEPUYHRQKOAOX-XMMPIXPASA-N 0 0 495.620 5.005 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1cccc(C)c1 ZINC000012489113 555988546 /nfs/dbraw/zinc/98/85/46/555988546.db2.gz INOJOCGXJGURIW-RUZDIDTESA-N 0 0 491.657 5.174 40 0 JKABRN COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C)cc3Br)c2c1 ZINC000012489604 555988618 /nfs/dbraw/zinc/98/86/18/555988618.db2.gz IBNGVWFVFSOAMI-UHFFFAOYSA-N 0 0 494.414 6.107 40 0 JKABRN O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)Nc1ccc(Oc2ccccc2)cc1 ZINC000012490984 555988682 /nfs/dbraw/zinc/98/86/82/555988682.db2.gz DGOUVPUKJBIMKF-UHFFFAOYSA-N 0 0 487.610 5.741 40 0 JKABRN COc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)s2)cc1OC ZINC000012492110 555988898 /nfs/dbraw/zinc/98/88/98/555988898.db2.gz WGHLMGDJPFHWOL-HXUWFJFHSA-N 0 0 484.540 5.159 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1cccs1)N(CCc1ccc(Cl)cc1)C(=O)C(F)(F)F ZINC000012492005 555988913 /nfs/dbraw/zinc/98/89/13/555988913.db2.gz WBFYQZVWRHPGCO-IBGZPJMESA-N 0 0 472.960 5.525 40 0 JKABRN COc1ccc(OC)c(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2ccc(C)s2)c1 ZINC000012492141 555988924 /nfs/dbraw/zinc/98/89/24/555988924.db2.gz SDCIAMVYIKZPMH-FQEVSTJZSA-N 0 0 484.540 5.159 40 0 JKABRN COc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)s2)cc1 ZINC000012492100 555988938 /nfs/dbraw/zinc/98/89/38/555988938.db2.gz RKRFIXRMKUFVJQ-LJQANCHMSA-N 0 0 454.514 5.151 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)C(F)(F)F)s1 ZINC000012492292 555989325 /nfs/dbraw/zinc/98/93/25/555989325.db2.gz HNPNFVSHAASZAX-IBGZPJMESA-N 0 0 472.960 5.791 40 0 JKABRN CC(=O)c1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)s2)cc1 ZINC000012492239 555989331 /nfs/dbraw/zinc/98/93/31/555989331.db2.gz IYUXOPWZPJTULG-HXUWFJFHSA-N 0 0 466.525 5.345 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2cccc(C(F)(F)F)c2)s1 ZINC000012492207 555989357 /nfs/dbraw/zinc/98/93/57/555989357.db2.gz ISTZAJYLPDOEPZ-SFHVURJKSA-N 0 0 492.485 6.161 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)C(F)(F)F)s1 ZINC000012492296 555989372 /nfs/dbraw/zinc/98/93/72/555989372.db2.gz KWKRKLFPERENCI-HXUWFJFHSA-N 0 0 452.542 5.180 40 0 JKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000012492812 555989542 /nfs/dbraw/zinc/98/95/42/555989542.db2.gz RXSVDJWYEFOKBJ-UHFFFAOYSA-N 0 0 492.048 5.940 40 0 JKABRN Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccccc2)cc1Cl ZINC000012492757 555989594 /nfs/dbraw/zinc/98/95/94/555989594.db2.gz NPVWZSSHHKNZQO-UHFFFAOYSA-N 0 0 463.006 5.875 40 0 JKABRN O=C(c1cccc(Cl)c1)N(Cc1ccco1)Cc1cc2cc3c(cc2nc1Cl)OCO3 ZINC000012494001 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Cc1cccc(CCN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=O)Nc2ccccc2Cl)c1 ZINC000012704771 556103526 /nfs/dbraw/zinc/10/35/26/556103526.db2.gz OSBIERQBAHOPAC-UHFFFAOYSA-N 0 0 474.004 6.384 40 0 JKABRN COc1ccc(NC(=O)N(CCc2cccc(C)c2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000012705310 556103585 /nfs/dbraw/zinc/10/35/85/556103585.db2.gz QTNDXVANFAXIIC-UHFFFAOYSA-N 0 0 469.585 5.739 40 0 JKABRN Cc1cc2cc(CN(Cc3ccccc3Cl)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C ZINC000012704909 556103617 /nfs/dbraw/zinc/10/36/17/556103617.db2.gz VXTKCTCUXUCKQF-UHFFFAOYSA-N 0 0 480.395 6.686 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000012705367 556103621 /nfs/dbraw/zinc/10/36/21/556103621.db2.gz JDLWZUUXHSFLIN-NDEPHWFRSA-N 0 0 499.586 6.246 40 0 JKABRN COc1ccccc1NC(=O)N(CCc1cccc(C)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000012706342 556103775 /nfs/dbraw/zinc/10/37/75/556103775.db2.gz XVHOOUWSBZAPHI-UHFFFAOYSA-N 0 0 469.585 5.739 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000012706855 556103778 /nfs/dbraw/zinc/10/37/78/556103778.db2.gz HKLHINKHHPNIOP-UHFFFAOYSA-N 0 0 459.977 6.287 40 0 JKABRN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)N(C1CCCCC1)C1CCCCC1 ZINC000012707422 556103812 /nfs/dbraw/zinc/10/38/12/556103812.db2.gz YKJSHASWMLWFPZ-JOCHJYFZSA-N 0 0 483.678 5.162 40 0 JKABRN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N(C1CCCCC1)C1CCCCC1 ZINC000012707415 556103824 /nfs/dbraw/zinc/10/38/24/556103824.db2.gz YKJSHASWMLWFPZ-QFIPXVFZSA-N 0 0 483.678 5.162 40 0 JKABRN Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012706265 556103828 /nfs/dbraw/zinc/10/38/28/556103828.db2.gz CMSRENVKCWORIX-UHFFFAOYSA-N 0 0 459.977 6.341 40 0 JKABRN COc1ccc(CCNC(=O)CSc2nc(-c3ccccc3)nc3ccc(C)cc32)cc1OC ZINC000012708218 556104125 /nfs/dbraw/zinc/10/41/25/556104125.db2.gz SERWNQFAUUTCDA-UHFFFAOYSA-N 0 0 473.598 5.073 40 0 JKABRN CCOc1ccc2c(c1)C(c1ccc(OCc3ccccc3)c(OC)c1)=NNC(c1cccnc1)=N2 ZINC000012707520 556104127 /nfs/dbraw/zinc/10/41/27/556104127.db2.gz YELGMYLERLJMRJ-UHFFFAOYSA-N 0 0 478.552 5.502 40 0 JKABRN O=C(Nc1ccc(F)cc1)N(Cc1ccccc1Cl)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012711053 556104421 /nfs/dbraw/zinc/10/44/21/556104421.db2.gz QHMRIHILDLSYEV-UHFFFAOYSA-N 0 0 479.895 5.284 40 0 JKABRN COc1ccccc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(Cl)cc1 ZINC000012711036 556104434 /nfs/dbraw/zinc/10/44/34/556104434.db2.gz SXVJMGXROPDVJE-UHFFFAOYSA-N 0 0 491.931 5.153 40 0 JKABRN COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012710995 556104484 /nfs/dbraw/zinc/10/44/84/556104484.db2.gz IWFSOPIMYNQQFW-UHFFFAOYSA-N 0 0 491.931 5.153 40 0 JKABRN O=C(Nc1ccccc1Cl)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012710893 556104487 /nfs/dbraw/zinc/10/44/87/556104487.db2.gz RSZADCCCEWVQKR-UHFFFAOYSA-N 0 0 461.905 5.145 40 0 JKABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2c(C)cccc2C)cc1 ZINC000012712664 556104740 /nfs/dbraw/zinc/10/47/40/556104740.db2.gz GPFJHWBDTOZVJV-GDLZYMKVSA-N 0 0 497.643 5.293 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n(Cc4ccc(F)cc4)n3)cc2)cc1 ZINC000012712247 556104751 /nfs/dbraw/zinc/10/47/51/556104751.db2.gz WARLZABHYISFDV-UHFFFAOYSA-N 0 0 462.528 6.360 40 0 JKABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000012716538 556105121 /nfs/dbraw/zinc/10/51/21/556105121.db2.gz DAVRCMYMOLYAJC-AREMUKBSSA-N 0 0 462.615 5.528 40 0 JKABRN O=C(CSc1nnc(COc2cccc3ccccc32)n1Cc1ccccc1)C1CCCCC1 ZINC000012833679 556116117 /nfs/dbraw/zinc/11/61/17/556116117.db2.gz OKZKQGGUYZLVLY-UHFFFAOYSA-N 0 0 471.626 6.300 40 0 JKABRN O=C(CN1c2sc3c(c2C(c2cccs2)=NCC1=O)CCC3)N(c1ccccc1)c1ccccc1 ZINC000012833974 556116200 /nfs/dbraw/zinc/11/62/00/556116200.db2.gz KLYJZSMXYWRWSJ-UHFFFAOYSA-N 0 0 497.645 5.847 40 0 JKABRN O=C(Nc1ccc2nc(Cc3ccccc3)n(Cc3ccc(Cl)cc3)c(=O)c2c1)c1ccccc1 ZINC000012834065 556116218 /nfs/dbraw/zinc/11/62/18/556116218.db2.gz ALFQREQAIZRXAH-UHFFFAOYSA-N 0 0 479.967 5.941 40 0 JKABRN Cc1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000012834089 556116225 /nfs/dbraw/zinc/11/62/25/556116225.db2.gz RHMISDUTKASRQK-UHFFFAOYSA-N 0 0 494.982 6.718 40 0 JKABRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccccc1Br ZINC000012844769 556117562 /nfs/dbraw/zinc/11/75/62/556117562.db2.gz SMXKCEYXJBAAIX-LBPRGKRZSA-N 0 0 482.325 6.044 40 0 JKABRN Cc1c(C)c2ccc(O[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4[C@@H]3c3ccccc3)c(C)c2oc1=O ZINC000012864903 556120268 /nfs/dbraw/zinc/12/02/68/556120268.db2.gz ZPVWEGDUMYPORE-BWFOMEQASA-N 0 0 489.612 5.380 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 ZINC000012871246 556121190 /nfs/dbraw/zinc/12/11/90/556121190.db2.gz FXDFVSKVPWZUIA-AREMUKBSSA-N 0 0 497.624 5.437 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 ZINC000012871226 556121221 /nfs/dbraw/zinc/12/12/21/556121221.db2.gz FKJHWCZXHJSPBK-AREMUKBSSA-N 0 0 497.624 5.437 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 ZINC000012871209 556121251 /nfs/dbraw/zinc/12/12/51/556121251.db2.gz QLQJQZBHWRESFM-MHZLTWQESA-N 0 0 496.636 6.042 40 0 JKABRN CC1(C)Oc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2N(Cc2ccc(F)cc2)C1=O ZINC000012875714 556121913 /nfs/dbraw/zinc/12/19/13/556121913.db2.gz DLAVWVLKCYSHKZ-UHFFFAOYSA-N 0 0 456.876 5.575 40 0 JKABRN O=C(NC1CCCCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000012877071 556122097 /nfs/dbraw/zinc/12/20/97/556122097.db2.gz OXYPMCRXBULWPT-UHFFFAOYSA-N 0 0 497.686 5.317 40 0 JKABRN COc1ccc(CCNC(=S)N(CCc2nc3cc(C)c(C)cc3[nH]2)C2CCCC2)cc1OC ZINC000012879895 556123352 /nfs/dbraw/zinc/12/33/52/556123352.db2.gz HIKAUDHMBHFUTJ-UHFFFAOYSA-N 0 0 480.678 5.101 40 0 JKABRN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 ZINC000016043751 556123433 /nfs/dbraw/zinc/12/34/33/556123433.db2.gz SESGWDIGRQIZBS-UVMWJIOCSA-N 0 0 469.625 6.746 40 0 JKABRN Cc1ccccc1-c1ccc(Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)nn1 ZINC000012881745 556123741 /nfs/dbraw/zinc/12/37/41/556123741.db2.gz LGYFDQRQTCPEJJ-UHFFFAOYSA-N 0 0 455.587 5.220 40 0 JKABRN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000024173745 556125086 /nfs/dbraw/zinc/12/50/86/556125086.db2.gz SPARLPGTIATJBG-UHFFFAOYSA-N 0 0 492.215 5.739 40 0 JKABRN C=C/C(=C\C=C(/C)F)NC(=S)NCc1cccc(CNC(=S)Nc2ccc(F)cc2)c1 ZINC000016136507 556126914 /nfs/dbraw/zinc/12/69/14/556126914.db2.gz PWHKLJQCBHNOIJ-YVUGBWANSA-N 0 0 458.603 5.220 40 0 JKABRN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2OCc2ccccc2Cl)N1c1ccc(F)cc1 ZINC000016138881 556127176 /nfs/dbraw/zinc/12/71/76/556127176.db2.gz GJGCZXDKIQMRBB-LJAQVGFWSA-N 0 0 499.973 6.986 40 0 JKABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000016137638 556127205 /nfs/dbraw/zinc/12/72/05/556127205.db2.gz XVLOGMUOGIHPEJ-FBMKDOFISA-N 0 0 496.740 5.329 40 0 JKABRN CCOc1c(Br)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000016161832 556127484 /nfs/dbraw/zinc/12/74/84/556127484.db2.gz MMKHHNDOACVCDJ-CNEDASOKSA-N 0 0 463.397 5.018 40 0 JKABRN CCc1ccc(OCC(=O)NC(=S)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 ZINC000016161997 556127503 /nfs/dbraw/zinc/12/75/03/556127503.db2.gz VOZYGXOADKNNHW-GOSISDBHSA-N 0 0 487.625 6.463 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1c(F)cc(F)cc1Br ZINC000016194610 556128667 /nfs/dbraw/zinc/12/86/67/556128667.db2.gz RPRQMLYFDQRAEI-UHFFFAOYSA-N 0 0 470.122 5.170 40 0 JKABRN COc1ccc(OC)c(S[C@H](CC(=O)c2ccc(Br)cc2)c2ccccc2)c1 ZINC000016215593 556129612 /nfs/dbraw/zinc/12/96/12/556129612.db2.gz YXQGCECIOHBTOW-JOCHJYFZSA-N 0 0 457.389 6.573 40 0 JKABRN COc1ccc(C(=C2[C@@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)c2ccc(OC)cc2)cc1 ZINC000016216084 556129871 /nfs/dbraw/zinc/12/98/71/556129871.db2.gz HANHVJMVFCUNSI-WKWYISCVSA-N 0 0 481.523 5.266 40 0 JKABRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1Br ZINC000016226712 556130188 /nfs/dbraw/zinc/13/01/88/556130188.db2.gz FZBYFOMPYVRQGZ-UHFFFAOYSA-N 0 0 465.756 5.498 40 0 JKABRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NC2CCCCC2)cc1OC ZINC000016227321 556130429 /nfs/dbraw/zinc/13/04/29/556130429.db2.gz LRWOTBVXVBDTIK-QFIPXVFZSA-N 0 0 484.662 5.070 40 0 JKABRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NC2CCCCC2)cc1OC ZINC000016227323 556130539 /nfs/dbraw/zinc/13/05/39/556130539.db2.gz LRWOTBVXVBDTIK-JOCHJYFZSA-N 0 0 484.662 5.070 40 0 JKABRN Cc1[nH]c2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000016249738 556131050 /nfs/dbraw/zinc/13/10/50/556131050.db2.gz VABDFSUCFUZZFA-YNMQQHPQSA-N 0 0 473.601 5.108 40 0 JKABRN Cc1nc2ccccc2nc1COC(=O)c1cccc(OCc2nc3ccccc3nc2C)c1 ZINC000016265451 556131297 /nfs/dbraw/zinc/13/12/97/556131297.db2.gz BCSUTTYVCKROLG-UHFFFAOYSA-N 0 0 450.498 5.126 40 0 JKABRN COc1ccc(Nc2ccc3nc4c(c(C)nn4-c4ccccc4)c(-c4ccccc4)c3c2)cc1 ZINC000016266083 556131314 /nfs/dbraw/zinc/13/13/14/556131314.db2.gz AIDQOENUACGCNM-UHFFFAOYSA-N 0 0 456.549 7.301 40 0 JKABRN Cc1c(Cl)cccc1-c1ccc(/C=C/C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)o1 ZINC000016250044 556131440 /nfs/dbraw/zinc/13/14/40/556131440.db2.gz CGJLPCXWDHWJJY-ACCUITESSA-N 0 0 455.901 6.764 40 0 JKABRN Cc1c(NC(=O)Nc2cccc3ccccc32)cccc1NC(=O)Nc1cccc2ccccc21 ZINC000016250092 556131452 /nfs/dbraw/zinc/13/14/52/556131452.db2.gz NPPREHYQPRFAMZ-UHFFFAOYSA-N 0 0 460.537 7.589 40 0 JKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)CCC(C)(C)Cl)ccc3Cl)oc2c(C)c1 ZINC000016268722 556131573 /nfs/dbraw/zinc/13/15/73/556131573.db2.gz DQMCZPYRMGBBGT-UHFFFAOYSA-N 0 0 464.418 6.376 40 0 JKABRN Cc1cc(O)c(C(=O)CCCCCCCCCCC(=O)c2cc(Cl)c(C)cc2O)cc1Cl ZINC000016268058 556131621 /nfs/dbraw/zinc/13/16/21/556131621.db2.gz GNCVFERECBTMJU-UHFFFAOYSA-N 0 0 479.444 7.988 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc2)c(C)c1 ZINC000016267561 556131639 /nfs/dbraw/zinc/13/16/39/556131639.db2.gz HIXARTRORCUARC-UHFFFAOYSA-N 0 0 490.547 5.460 40 0 JKABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)cc3)oc2c(C)c1 ZINC000016268773 556131680 /nfs/dbraw/zinc/13/16/80/556131680.db2.gz YEHGJLCHMINTOF-UHFFFAOYSA-N 0 0 477.589 6.905 40 0 JKABRN Cc1cc(C)c(NC(=O)NC[C@H]2C[C@H](CNC(=O)Nc3c(C)cc(C)cc3C)C2(C)C)c(C)c1 ZINC000016267264 556131685 /nfs/dbraw/zinc/13/16/85/556131685.db2.gz XMYOLPMKSZORMT-DHIUTWEWSA-N 0 0 464.654 6.143 40 0 JKABRN Cc1cc(Br)cc(Br)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016269479 556131949 /nfs/dbraw/zinc/13/19/49/556131949.db2.gz FYPAGKCQYDJFSF-UHFFFAOYSA-N 0 0 452.068 6.183 40 0 JKABRN Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(-c2nc3ncccc3o2)c1O ZINC000016269595 556132000 /nfs/dbraw/zinc/13/20/00/556132000.db2.gz VXGCGPSSVSCPRF-UHFFFAOYSA-N 0 0 470.337 6.678 40 0 JKABRN Cc1cc(OC(=O)CCCCCCCCCCC(=O)Oc2ccc(Cl)c(C)c2)ccc1Cl ZINC000016282292 556132214 /nfs/dbraw/zinc/13/22/14/556132214.db2.gz WPFZONQJUHIEKR-UHFFFAOYSA-N 0 0 479.444 8.022 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1C ZINC000016282480 556132477 /nfs/dbraw/zinc/13/24/77/556132477.db2.gz VZQUSSJQSPFRHP-SOFGYWHQSA-N 0 0 454.313 6.166 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)NC[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000016282567 556132532 /nfs/dbraw/zinc/13/25/32/556132532.db2.gz WZPZSTGUSOJIMA-HDICACEKSA-N 0 0 477.436 6.360 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)nc2cc1Cl ZINC000016284235 556132670 /nfs/dbraw/zinc/13/26/70/556132670.db2.gz GRPFHHHSFUPGHH-HWKANZROSA-N 0 0 456.807 6.091 40 0 JKABRN Cc1cc2nc3s/c(=C\c4cc(Cl)cc(Cl)c4OCc4ccccc4F)c(=O)n3c2cc1C ZINC000016284153 556132689 /nfs/dbraw/zinc/13/26/89/556132689.db2.gz ZXRQQZBCHIFJPN-YVNNLAQVSA-N 0 0 499.394 6.099 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)nc2cc1Cl ZINC000016284239 556132773 /nfs/dbraw/zinc/13/27/73/556132773.db2.gz WNOBEDWVKNWETN-UHFFFAOYSA-N 0 0 452.004 5.903 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nc2cc1Cl ZINC000016284307 556132994 /nfs/dbraw/zinc/13/29/94/556132994.db2.gz ZMOHLGKJVBVLBZ-UHFFFAOYSA-N 0 0 462.383 6.298 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc2cc1Cl ZINC000016284305 556133019 /nfs/dbraw/zinc/13/30/19/556133019.db2.gz AGZGBJLNGSPBPX-UHFFFAOYSA-N 0 0 462.383 6.298 40 0 JKABRN COc1ccc(Br)cc1C(=O)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000016284402 556133058 /nfs/dbraw/zinc/13/30/58/556133058.db2.gz FSAXZARAXHTNED-UHFFFAOYSA-N 0 0 487.357 5.906 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000016284376 556133061 /nfs/dbraw/zinc/13/30/61/556133061.db2.gz VEXBRZVGTGOBIH-UHFFFAOYSA-N 0 0 458.974 6.266 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000016284359 556133066 /nfs/dbraw/zinc/13/30/66/556133066.db2.gz GDSAQNPCWJSVNH-UHFFFAOYSA-N 0 0 450.542 6.023 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000016284357 556133072 /nfs/dbraw/zinc/13/30/72/556133072.db2.gz FJSCEWSFDWLCIS-UHFFFAOYSA-N 0 0 464.569 6.197 40 0 JKABRN Cc1ccc(NC(=O)/C(=C/c2ccc(Cl)cc2)NC(=O)c2ccccc2)c(Br)c1 ZINC000016284641 556133237 /nfs/dbraw/zinc/13/32/37/556133237.db2.gz ONDZVDGRHCPXBY-STZFKDTASA-N 0 0 469.766 5.821 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000016284543 556133250 /nfs/dbraw/zinc/13/32/50/556133250.db2.gz UOIZTISILHJUEO-UHFFFAOYSA-N 0 0 487.588 6.162 40 0 JKABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000016284513 556133283 /nfs/dbraw/zinc/13/32/83/556133283.db2.gz ZXBKQCQLFQMSTR-UHFFFAOYSA-N 0 0 497.580 5.026 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccccc1Cl ZINC000016284566 556133323 /nfs/dbraw/zinc/13/33/23/556133323.db2.gz LMZWZRZSLPOWBI-UHFFFAOYSA-N 0 0 471.973 5.662 40 0 JKABRN Cc1ccc(C(=O)C[C@H](Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000016291834 556133555 /nfs/dbraw/zinc/13/35/55/556133555.db2.gz BVTJPGHQZNYVGF-QFIPXVFZSA-N 0 0 468.462 8.139 40 0 JKABRN O=C(OCc1ccccc1)c1ccc(COC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000024522716 556133625 /nfs/dbraw/zinc/13/36/25/556133625.db2.gz SABILVKAMIRYRR-UHFFFAOYSA-N 0 0 451.522 5.828 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc(Sc3ccc(NC(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000016292046 556133661 /nfs/dbraw/zinc/13/36/61/556133661.db2.gz GRTBJFQCFFEAQR-UHFFFAOYSA-N 0 0 452.579 6.959 40 0 JKABRN Cc1ccc(C(=O)N2CCN(c3nc4ccccc4c(N[C@@H](C)c4ccccc4)n3)CC2)cc1 ZINC000016291934 556133688 /nfs/dbraw/zinc/13/36/88/556133688.db2.gz NPCZSIXVAULXBJ-NRFANRHFSA-N 0 0 451.574 5.074 40 0 JKABRN Cc1ccc([C@@]2(Br)[C@@H](C(=O)c3ccccc3)SC(=N)N2c2ccccc2)cc1 ZINC000016292143 556133698 /nfs/dbraw/zinc/13/36/98/556133698.db2.gz ZZHXKYPAEIBZJN-GGAORHGYSA-N 0 0 451.389 5.982 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000016293425 556134330 /nfs/dbraw/zinc/13/43/30/556134330.db2.gz GFEBOGDRDVLRIY-UHFFFAOYSA-N 0 0 498.910 5.486 40 0 JKABRN Cc1ccc(S(=O)(=O)N2C(=S)NC(c3ccccc3Cl)=C[C@@H]2c2ccccc2)cc1 ZINC000016310078 556134351 /nfs/dbraw/zinc/13/43/51/556134351.db2.gz JRJGMPODZMETKC-JOCHJYFZSA-N 0 0 455.004 5.310 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)ccc3o2)cc1 ZINC000016311215 556134664 /nfs/dbraw/zinc/13/46/64/556134664.db2.gz NPXHHEPLDJHTSS-SDNWHVSQSA-N 0 0 468.940 7.677 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)o2)cc1Cl ZINC000016313071 556134842 /nfs/dbraw/zinc/13/48/42/556134842.db2.gz WJBKLCVMJZQULX-RMKNXTFCSA-N 0 0 457.357 6.050 40 0 JKABRN Cc1ccc(NC(=O)NC[C@@H]2CCC[C@H](CNC(=O)Nc3ccc(C)c(Cl)c3)C2)cc1Cl ZINC000016312988 556134864 /nfs/dbraw/zinc/13/48/64/556134864.db2.gz DKEXXOXITNUUNW-HDICACEKSA-N 0 0 477.436 6.360 40 0 JKABRN Cc1cc([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc2c1C(=O)N(c1ccc(C)c(C)c1)C2=O ZINC000016312302 556134892 /nfs/dbraw/zinc/13/48/92/556134892.db2.gz JCXNHLZCCHEAJY-QHCPKHFHSA-N 0 0 466.537 5.076 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)cc1 ZINC000016323150 556135410 /nfs/dbraw/zinc/13/54/10/556135410.db2.gz UQFUULLNMADYOK-UHFFFAOYSA-N 0 0 478.592 7.068 40 0 JKABRN CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)o2)cc1 ZINC000016323293 556135431 /nfs/dbraw/zinc/13/54/31/556135431.db2.gz YPCINKYBCTYLBW-UHFFFAOYSA-N 0 0 478.596 7.716 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(Br)c2)cc1 ZINC000016323120 556135462 /nfs/dbraw/zinc/13/54/62/556135462.db2.gz ANWQTSPCFKPYFV-UHFFFAOYSA-N 0 0 451.364 6.251 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)o2)cc1Cl ZINC000016346640 556135687 /nfs/dbraw/zinc/13/56/87/556135687.db2.gz LGDNWPTVHIHCSH-JQIJEIRASA-N 0 0 456.929 6.813 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)o2)cc1Cl ZINC000016346663 556135731 /nfs/dbraw/zinc/13/57/31/556135731.db2.gz YZBANAUSLLBTLS-FYWRMAATSA-N 0 0 454.913 7.369 40 0 JKABRN Cc1ccccc1-n1c2nnc(SCc3ccc(F)c4cccnc34)n2c2ccccc2c1=O ZINC000024569905 556135828 /nfs/dbraw/zinc/13/58/28/556135828.db2.gz FTCZGADLLUYRLL-UHFFFAOYSA-N 0 0 467.529 5.321 40 0 JKABRN Cc1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1NC(=O)OCc1ccc(Cl)cc1 ZINC000016347536 556135967 /nfs/dbraw/zinc/13/59/67/556135967.db2.gz MCMSQELKJKILGA-UHFFFAOYSA-N 0 0 459.329 6.799 40 0 JKABRN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3Cl)oc2c1 ZINC000016348507 556136047 /nfs/dbraw/zinc/13/60/47/556136047.db2.gz JDFSKNATBDSDLM-UHFFFAOYSA-N 0 0 463.320 7.622 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C ZINC000016347275 556136050 /nfs/dbraw/zinc/13/60/50/556136050.db2.gz SPYHMIVQYXFGEM-BQYQJAHWSA-N 0 0 454.313 6.166 40 0 JKABRN Cc1cccc(C2(c3cccc(C)c3)S[C@]3(ON=C(c4ccccc4)S3)c3ccccc32)c1 ZINC000016349160 556136327 /nfs/dbraw/zinc/13/63/27/556136327.db2.gz YRVJTGDNDUDDSP-LJAQVGFWSA-N 0 0 465.643 7.578 40 0 JKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(-c2nc3ccc(C)cc3s2)c1 ZINC000016348783 556136353 /nfs/dbraw/zinc/13/63/53/556136353.db2.gz OQUBGBKOCKMODY-UHFFFAOYSA-N 0 0 468.003 6.061 40 0 JKABRN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2OCc2ccccc2Cl)N1c1cccc(C)c1 ZINC000016349527 556136381 /nfs/dbraw/zinc/13/63/81/556136381.db2.gz JXBLMJCWKXQDBF-PMERELPUSA-N 0 0 496.010 7.155 40 0 JKABRN Cc1ccccc1C(=O)NC(=S)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000016362582 556136592 /nfs/dbraw/zinc/13/65/92/556136592.db2.gz PPBNRKIIZJAOPK-UHFFFAOYSA-N 0 0 451.555 5.317 40 0 JKABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(F)c(Cl)c2)C1)Nc1ccc(F)c(Cl)c1 ZINC000016385434 556136884 /nfs/dbraw/zinc/13/68/84/556136884.db2.gz XAXXUUXDMDWFBL-OKILXGFUSA-N 0 0 485.362 6.021 40 0 JKABRN NC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCC2 ZINC000016385228 556136888 /nfs/dbraw/zinc/13/68/88/556136888.db2.gz KXLNIZGYNMKNHJ-UHFFFAOYSA-N 0 0 480.398 5.029 40 0 JKABRN O=C(CSCCSCC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000016384896 556136893 /nfs/dbraw/zinc/13/68/93/556136893.db2.gz GOLNWCKFIVPNIG-UHFFFAOYSA-N 0 0 468.254 6.832 40 0 JKABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(Cl)c2)C1)Nc1ccc(F)c(Cl)c1 ZINC000016385428 556136905 /nfs/dbraw/zinc/13/69/05/556136905.db2.gz XAXXUUXDMDWFBL-ZIAGYGMSSA-N 0 0 485.362 6.021 40 0 JKABRN Clc1ccc(CSCCCCCCSCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000016385032 556136929 /nfs/dbraw/zinc/13/69/29/556136929.db2.gz NOINSBVEUGSLFY-UHFFFAOYSA-N 0 0 468.342 9.027 40 0 JKABRN O=C(CSCCCSCC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000016384890 556136966 /nfs/dbraw/zinc/13/69/66/556136966.db2.gz BIQHLGSYAWNLGR-UHFFFAOYSA-N 0 0 482.281 7.222 40 0 JKABRN O=C(c1cccc(Cl)c1)N1CCC(CCCC2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000016398787 556137214 /nfs/dbraw/zinc/13/72/14/556137214.db2.gz UODNQPVGCJWKNE-UHFFFAOYSA-N 0 0 487.471 6.568 40 0 JKABRN O=C(Nc1cccc(C(F)(F)F)c1)N1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000016399335 556137505 /nfs/dbraw/zinc/13/75/05/556137505.db2.gz GYUVMDLDARVZEL-UHFFFAOYSA-N 0 0 474.405 5.496 40 0 JKABRN O=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000016401681 556138315 /nfs/dbraw/zinc/13/83/15/556138315.db2.gz ZRULJBQNURQVET-UHFFFAOYSA-N 0 0 451.485 5.099 40 0 JKABRN O=C(NCc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000016401522 556138318 /nfs/dbraw/zinc/13/83/18/556138318.db2.gz CAMBYKQREFVUQT-UHFFFAOYSA-N 0 0 482.194 6.160 40 0 JKABRN Fc1ccc(CSc2ccc(Sc3ccc(SCc4ccc(F)cc4)cc3)cc2)cc1 ZINC000016401879 556138398 /nfs/dbraw/zinc/13/83/98/556138398.db2.gz NUNHHXYYMBGLKY-UHFFFAOYSA-N 0 0 466.643 8.701 40 0 JKABRN S=C(NCC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000016428566 556138826 /nfs/dbraw/zinc/13/88/26/556138826.db2.gz LXTXLLLRFBWSNH-UHFFFAOYSA-N 0 0 453.464 5.389 40 0 JKABRN O=c1oc(-c2ccc(-c3nc(O)c(C4CCCCC4)c(=O)o3)cc2)nc(O)c1C1CCCCC1 ZINC000016429671 556138898 /nfs/dbraw/zinc/13/88/98/556138898.db2.gz WEFBOPLTPBZZMX-UHFFFAOYSA-N 0 0 464.518 5.224 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000016430505 556138903 /nfs/dbraw/zinc/13/89/03/556138903.db2.gz AVNWBZVIWLWORT-ONNFQVAWSA-N 0 0 486.424 5.669 40 0 JKABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CCC3)C1)Nc1ccc2c(c1)CCC2 ZINC000016431288 556139237 /nfs/dbraw/zinc/13/92/37/556139237.db2.gz YAMZMWOVZCNNPV-WOJBJXKFSA-N 0 0 460.622 5.414 40 0 JKABRN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000016431638 556139269 /nfs/dbraw/zinc/13/92/69/556139269.db2.gz STKUQJIHHCHOLY-UHFFFAOYSA-N 0 0 450.281 6.709 40 0 JKABRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cc(Br)ccc1Cl ZINC000016450421 556139390 /nfs/dbraw/zinc/13/93/90/556139390.db2.gz ULLGCEQREWGIJG-UHFFFAOYSA-N 0 0 452.805 5.220 40 0 JKABRN O=C(NCc1ccccc1Cl)NC[C@@H]1CCC[C@@H](CNC(=O)NCc2ccccc2Cl)C1 ZINC000016449586 556139403 /nfs/dbraw/zinc/13/94/03/556139403.db2.gz RGVUGXYPCUPQHI-QZTJIDSGSA-N 0 0 477.436 5.098 40 0 JKABRN O=C(Nc1ccc(Cc2ccc(NC(=O)Nc3ccccc3F)cc2)cc1)Nc1ccccc1F ZINC000016450382 556139453 /nfs/dbraw/zinc/13/94/53/556139453.db2.gz QAUYMUDIKXKWHM-UHFFFAOYSA-N 0 0 472.495 6.844 40 0 JKABRN O=C(Nc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1)c1ccccc1Cl ZINC000016449346 556139474 /nfs/dbraw/zinc/13/94/74/556139474.db2.gz KKXGUEULVADOBB-UHFFFAOYSA-N 0 0 493.415 7.649 40 0 JKABRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1cccc2ccccc21 ZINC000016451263 556139780 /nfs/dbraw/zinc/13/97/80/556139780.db2.gz IFGMKOAYLPGNFG-NDEPHWFRSA-N 0 0 471.940 6.379 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000016450710 556139792 /nfs/dbraw/zinc/13/97/92/556139792.db2.gz VVOGGFFPTZKZJT-PTGBLXJZSA-N 0 0 466.990 5.304 40 0 JKABRN O=C(Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016476773 556139807 /nfs/dbraw/zinc/13/98/07/556139807.db2.gz AQKIFVSGUFMRNN-UHFFFAOYSA-N 0 0 464.312 5.694 40 0 JKABRN O=C(CSc1ccc(Sc2ccc(SCC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000016476588 556139808 /nfs/dbraw/zinc/13/98/08/556139808.db2.gz VPPRAPZPPQFBPB-UHFFFAOYSA-N 0 0 486.683 7.788 40 0 JKABRN O=C(O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1cccc(I)c1 ZINC000016477196 556140019 /nfs/dbraw/zinc/14/00/19/556140019.db2.gz MODHKATYPANTEL-HXUWFJFHSA-N 0 0 476.697 5.726 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000016477678 556140062 /nfs/dbraw/zinc/14/00/62/556140062.db2.gz OUHFZYOMZQQTIQ-UHFFFAOYSA-N 0 0 490.584 6.105 40 0 JKABRN O=C(C[C@H](Sc1cccc(Cl)c1Cl)c1ccccc1)c1ccc(Br)cc1 ZINC000016477278 556140065 /nfs/dbraw/zinc/14/00/65/556140065.db2.gz PSFJESAHAJEPBJ-FQEVSTJZSA-N 0 0 466.227 7.862 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000016480454 556140313 /nfs/dbraw/zinc/14/03/13/556140313.db2.gz BYXQNVLNFUOMMF-UHFFFAOYSA-N 0 0 488.565 5.084 40 0 JKABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000016479232 556140337 /nfs/dbraw/zinc/14/03/37/556140337.db2.gz YAUNOONJZLIAJX-UHFFFAOYSA-N 0 0 486.593 5.351 40 0 JKABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000016479622 556140343 /nfs/dbraw/zinc/14/03/43/556140343.db2.gz YMHJGTBLEXTADY-UHFFFAOYSA-N 0 0 476.642 5.239 40 0 JKABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000016479163 556140345 /nfs/dbraw/zinc/14/03/45/556140345.db2.gz ILFJAFXRYKGGMH-UHFFFAOYSA-N 0 0 497.831 5.519 40 0 JKABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016479561 556140353 /nfs/dbraw/zinc/14/03/53/556140353.db2.gz FITHKKPQDVFVDB-UHFFFAOYSA-N 0 0 482.911 5.188 40 0 JKABRN S=C(NCCCCCCCCCCCCNC(=S)Nc1ccccc1)Nc1ccccc1 ZINC000016489910 556140602 /nfs/dbraw/zinc/14/06/02/556140602.db2.gz DTWLDPPPXIXDLA-UHFFFAOYSA-N 0 0 470.752 6.861 40 0 JKABRN O=C(Nc1ccc(N(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000016487845 556140626 /nfs/dbraw/zinc/14/06/26/556140626.db2.gz SVUQRJDBQMBGEO-UHFFFAOYSA-N 0 0 461.348 7.224 40 0 JKABRN O=C(c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)s1)c1ccc(Br)cc1 ZINC000016487899 556140647 /nfs/dbraw/zinc/14/06/47/556140647.db2.gz XBTQIHKVOMVBJD-UHFFFAOYSA-N 0 0 484.418 8.365 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccccc1Sc1ccccc1 ZINC000016491696 556140865 /nfs/dbraw/zinc/14/08/65/556140865.db2.gz LWUVJHUVRGQMOP-UHFFFAOYSA-N 0 0 482.627 5.076 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000016490498 556140988 /nfs/dbraw/zinc/14/09/88/556140988.db2.gz DYCXDAPGFRNIHM-UHFFFAOYSA-N 0 0 474.538 5.297 40 0 JKABRN Clc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)c(Cl)c3)c2-c2ccccc2)cc1 ZINC000016491900 556141000 /nfs/dbraw/zinc/14/10/00/556141000.db2.gz NQYGEQFSUKURDA-UHFFFAOYSA-N 0 0 467.747 6.142 40 0 JKABRN c1ccc(-c2nc3ccccc3nc2-c2nnc(-c3nc4ccccc4nc3-c3ccccc3)s2)cc1 ZINC000016492102 556141175 /nfs/dbraw/zinc/14/11/75/556141175.db2.gz FWXJCRKXAXHQLL-UHFFFAOYSA-N 0 0 494.583 7.093 40 0 JKABRN O=S(=O)(c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[n+]([O-])c1-c1ccccc1 ZINC000016492418 556141227 /nfs/dbraw/zinc/14/12/27/556141227.db2.gz NGTCBVJJDKNEDK-UHFFFAOYSA-N 0 0 471.965 6.293 40 0 JKABRN Clc1ccc2nc(N3N=C(c4ccco4)C[C@H]3c3ccccc3Cl)nc(-c3ccccc3)c2c1 ZINC000016492468 556141240 /nfs/dbraw/zinc/14/12/40/556141240.db2.gz VBNMYBMGFCPAPB-DEOSSOPVSA-N 0 0 485.374 7.552 40 0 JKABRN Clc1ccc(Oc2sc(Nc3ccc(Br)cc3)nc2-c2ccccc2)cc1 ZINC000016492314 556141256 /nfs/dbraw/zinc/14/12/56/556141256.db2.gz RCFGKIDJCRKSHQ-UHFFFAOYSA-N 0 0 457.780 7.762 40 0 JKABRN O=Cc1cn(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)nc1-c1ccccc1 ZINC000016492741 556141473 /nfs/dbraw/zinc/14/14/73/556141473.db2.gz JDSVFAGDFHKNFQ-UHFFFAOYSA-N 0 0 454.327 6.330 40 0 JKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000016493187 556141516 /nfs/dbraw/zinc/14/15/16/556141516.db2.gz MHVTUVIKCFAGML-UHFFFAOYSA-N 0 0 490.672 8.299 40 0 JKABRN FC(F)(F)c1ccc(-c2c(-c3nnnn3-c3ccccc3)cnn2-c2cccc(Cl)c2)cc1 ZINC000016523950 556141786 /nfs/dbraw/zinc/14/17/86/556141786.db2.gz GSLHURJIHNZKNC-UHFFFAOYSA-N 0 0 466.854 5.854 40 0 JKABRN O=C1c2ccccc2C(=O)N1C1CCC(CC2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000016524335 556141796 /nfs/dbraw/zinc/14/17/96/556141796.db2.gz LCROBDIKILMEKL-UHFFFAOYSA-N 0 0 470.569 5.087 40 0 JKABRN Fc1ccc(-n2nc3c(c2-c2cccc(Br)c2)-c2ccccc2CC3)cc1Cl ZINC000016524029 556141822 /nfs/dbraw/zinc/14/18/22/556141822.db2.gz DACARAZPFVBMKE-UHFFFAOYSA-N 0 0 453.742 6.860 40 0 JKABRN O=C(CCC(=O)N1c2ccccc2CCc2ccccc21)N1c2ccccc2CCc2ccccc21 ZINC000016524857 556141876 /nfs/dbraw/zinc/14/18/76/556141876.db2.gz ZWOOKOFZYFEFOT-UHFFFAOYSA-N 0 0 472.588 6.694 40 0 JKABRN O=C(Sc1nc2ccccc2nc1SC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016545176 556142806 /nfs/dbraw/zinc/14/28/06/556142806.db2.gz LWGOCOJPXUNMNK-UHFFFAOYSA-N 0 0 471.390 6.802 40 0 JKABRN Clc1cccc(Cl)c1COc1cccc(CNc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000016545525 556143133 /nfs/dbraw/zinc/14/31/33/556143133.db2.gz MACODSIWDXMPOV-UHFFFAOYSA-N 0 0 491.443 8.461 40 0 JKABRN C[C@@H](CCCNC(=O)Nc1cccc2ccccc21)CNC(=O)Nc1cccc2ccccc21 ZINC000016576274 556145187 /nfs/dbraw/zinc/14/51/87/556145187.db2.gz IHCDMGZVWZSIFY-FQEVSTJZSA-N 0 0 454.574 6.353 40 0 JKABRN C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000016576359 556145192 /nfs/dbraw/zinc/14/51/92/556145192.db2.gz UBEFUEIXHPFUAS-SFHVURJKSA-N 0 0 462.018 6.180 40 0 JKABRN C[C@@H](CCCNC(=O)Nc1ccc(Cl)c(Cl)c1)CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016576265 556145226 /nfs/dbraw/zinc/14/52/26/556145226.db2.gz FMIVGKFTZURCBV-LBPRGKRZSA-N 0 0 492.234 6.660 40 0 JKABRN CC1(C)C[C@H](NC(=O)NC2CCCCCCC2)C[C@@](C)(CNC(=O)NC2CCCCCCC2)C1 ZINC000016577713 556145591 /nfs/dbraw/zinc/14/55/91/556145591.db2.gz VOCWPTWPKRAUBR-RBJSKKJNSA-N 0 0 476.750 6.396 40 0 JKABRN CC[C@H](C)c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc([C@@H](C)CC)cc3)C2)cc1 ZINC000016610509 556146070 /nfs/dbraw/zinc/14/60/70/556146070.db2.gz PSNUTZZEFQNGOL-CJRSTVEYSA-N 0 0 492.708 7.463 40 0 JKABRN C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000016609575 556146134 /nfs/dbraw/zinc/14/61/34/556146134.db2.gz ZIWHYEMETJUYBE-LLVKDONJSA-N 0 0 476.191 6.070 40 0 JKABRN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016609571 556146138 /nfs/dbraw/zinc/14/61/38/556146138.db2.gz QVGXCJXVKICBSR-LLVKDONJSA-N 0 0 476.191 6.070 40 0 JKABRN CC[C@H](C)c1ccc(NC(=O)NC[C@@H]2CCC[C@H](CNC(=O)Nc3ccc([C@@H](C)CC)cc3)C2)cc1 ZINC000016610514 556146200 /nfs/dbraw/zinc/14/62/00/556146200.db2.gz PSNUTZZEFQNGOL-NEWJYFPISA-N 0 0 492.708 7.463 40 0 JKABRN C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000016609578 556146203 /nfs/dbraw/zinc/14/62/03/556146203.db2.gz ZIWHYEMETJUYBE-NSHDSACASA-N 0 0 476.191 6.070 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3Cl)nc2c1 ZINC000016610590 556146343 /nfs/dbraw/zinc/14/63/43/556146343.db2.gz ANOITSKKPBAVQV-CYBMUJFWSA-N 0 0 473.787 8.221 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3Cl)nc2c1 ZINC000016610592 556146346 /nfs/dbraw/zinc/14/63/46/556146346.db2.gz ANOITSKKPBAVQV-ZDUSSCGKSA-N 0 0 473.787 8.221 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)c3)nc2c1 ZINC000016610688 556146391 /nfs/dbraw/zinc/14/63/91/556146391.db2.gz NNUYGOSWUZHLLV-INIZCTEOSA-N 0 0 462.977 7.296 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)c3)nc2c1 ZINC000016610872 556146921 /nfs/dbraw/zinc/14/69/21/556146921.db2.gz BFKLZWUOOWERMJ-KRWDZBQOSA-N 0 0 470.956 8.174 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 ZINC000016610972 556147002 /nfs/dbraw/zinc/14/70/02/556147002.db2.gz QZDVZNPFFHKAFX-KRWDZBQOSA-N 0 0 487.625 6.517 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 ZINC000016611071 556147247 /nfs/dbraw/zinc/14/72/47/556147247.db2.gz JNIWYEATGPGJSN-MRXNPFEDSA-N 0 0 457.599 6.752 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)c3)nc2c1 ZINC000016611140 556147446 /nfs/dbraw/zinc/14/74/46/556147446.db2.gz YJJBHWJGWNFRFP-GOSISDBHSA-N 0 0 487.625 6.922 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 ZINC000016611124 556147448 /nfs/dbraw/zinc/14/74/48/556147448.db2.gz RGGLQKBFJUMFCO-SFHVURJKSA-N 0 0 471.626 7.259 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)nc2c1 ZINC000016611129 556147484 /nfs/dbraw/zinc/14/74/84/556147484.db2.gz FDDYRGWJQHRFLV-HNNXBMFYSA-N 0 0 463.990 6.789 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4Cl)c3)nc2c1 ZINC000016611251 556147733 /nfs/dbraw/zinc/14/77/33/556147733.db2.gz QDGSKLYOHOCLAA-HNNXBMFYSA-N 0 0 463.990 6.789 40 0 JKABRN CC[C@@H](CCNC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016611313 556147925 /nfs/dbraw/zinc/14/79/25/556147925.db2.gz WSVRQBNGXRYSIO-NSHDSACASA-N 0 0 478.207 6.412 40 0 JKABRN CCCC[C@@](CC)(CCCNC(=O)Nc1ccc(Cl)cc1)CNC(=O)Nc1ccc(Cl)cc1 ZINC000016637592 556149056 /nfs/dbraw/zinc/14/90/56/556149056.db2.gz UOYHZXGKTHHPKE-VWLOTQADSA-N 0 0 493.479 7.303 40 0 JKABRN CCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 ZINC000016638293 556149291 /nfs/dbraw/zinc/14/92/91/556149291.db2.gz POGLRJXCOCSUJD-OAQYLSRUSA-N 0 0 470.613 8.220 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OCC)cc4)nc3c2)cc1 ZINC000016639202 556149470 /nfs/dbraw/zinc/14/94/70/556149470.db2.gz HWDDWBWEJLDVFZ-UHFFFAOYSA-N 0 0 489.597 6.199 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OCC)cc4)nc3c2)c1 ZINC000016678274 556150412 /nfs/dbraw/zinc/15/04/12/556150412.db2.gz BFCYCDKWSDTHQO-UHFFFAOYSA-N 0 0 475.570 5.809 40 0 JKABRN CCN1CCN(c2ccc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)cc2Cl)CC1 ZINC000016681543 556150913 /nfs/dbraw/zinc/15/09/13/556150913.db2.gz YBDVTSCJVKNATN-UHFFFAOYSA-N 0 0 487.987 5.508 40 0 JKABRN CCN1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2Cl)CC1 ZINC000016681529 556150979 /nfs/dbraw/zinc/15/09/79/556150979.db2.gz IQEVDQLZPZXAEX-UHFFFAOYSA-N 0 0 457.199 5.150 40 0 JKABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000016681591 556151060 /nfs/dbraw/zinc/15/10/60/556151060.db2.gz WPVFMLKCXGYNDF-UHFFFAOYSA-N 0 0 487.456 5.415 40 0 JKABRN CCOP(=O)(OCC)c1cc2c(nc1SCC(=O)c1ccc(Cl)cc1)CCCCC2 ZINC000016688037 556151751 /nfs/dbraw/zinc/15/17/51/556151751.db2.gz ZWCRKVPQUQXCKU-UHFFFAOYSA-N 0 0 467.955 5.870 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000016687829 556151777 /nfs/dbraw/zinc/15/17/77/556151777.db2.gz SYUYHAMXTFKDSF-UHFFFAOYSA-N 0 0 488.396 5.287 40 0 JKABRN CCOP(=O)(OCC)[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000016688024 556151832 /nfs/dbraw/zinc/15/18/32/556151832.db2.gz LBSROYCPBJJDAI-KRWDZBQOSA-N 0 0 464.808 6.445 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4s3)cc2)cc(OCC)c1OCC ZINC000016688395 556152068 /nfs/dbraw/zinc/15/20/68/556152068.db2.gz HXOSVJCHWKATNV-UHFFFAOYSA-N 0 0 476.598 6.720 40 0 JKABRN CCOc1cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc(Br)c1OC(C)=O ZINC000016688283 556152092 /nfs/dbraw/zinc/15/20/92/556152092.db2.gz YCCWWZAEWFMKPE-UDWIEESQSA-N 0 0 480.314 5.271 40 0 JKABRN CCOc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688588 556152140 /nfs/dbraw/zinc/15/21/40/556152140.db2.gz FEILSOMMRRLOAA-UHFFFAOYSA-N 0 0 451.781 6.309 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000016691929 556153043 /nfs/dbraw/zinc/15/30/43/556153043.db2.gz HYEMOEGPMULYTE-LHHJGKSTSA-N 0 0 477.973 6.073 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)C(Cl)(Cl)Cl)ccc3o2)cc1 ZINC000016691939 556153073 /nfs/dbraw/zinc/15/30/73/556153073.db2.gz FUBFPPYCAYXKPL-UHFFFAOYSA-N 0 0 458.754 5.077 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccc(C)cc4C)ccc3o2)cc1 ZINC000016691959 556153078 /nfs/dbraw/zinc/15/30/78/556153078.db2.gz NIJRZSNXFZICGO-UHFFFAOYSA-N 0 0 475.570 5.402 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000016691513 556153095 /nfs/dbraw/zinc/15/30/95/556153095.db2.gz FYRPOXFQFIKBKM-UHFFFAOYSA-N 0 0 481.581 5.408 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4Cl)ccc3o2)cc1 ZINC000016692027 556153439 /nfs/dbraw/zinc/15/34/39/556153439.db2.gz GEEDIQJZVDEMDA-UHFFFAOYSA-N 0 0 465.962 5.982 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000016692013 556153477 /nfs/dbraw/zinc/15/34/77/556153477.db2.gz HGRLPLANTQTFJI-UHFFFAOYSA-N 0 0 451.935 5.674 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 ZINC000016692009 556153483 /nfs/dbraw/zinc/15/34/83/556153483.db2.gz HPGSDOCMBXSTKW-UHFFFAOYSA-N 0 0 473.598 6.318 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Sc2ccccc2)cc1Cl ZINC000016692761 556153677 /nfs/dbraw/zinc/15/36/77/556153677.db2.gz KWARNTCZXVBJLY-UHFFFAOYSA-N 0 0 491.034 5.149 40 0 JKABRN CCOc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1Cl ZINC000016692388 556153709 /nfs/dbraw/zinc/15/37/09/556153709.db2.gz WDRZVENYMNJWAC-UHFFFAOYSA-N 0 0 456.933 6.187 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nnc2-c2ccncc2)cc1C ZINC000024775558 556154498 /nfs/dbraw/zinc/15/44/98/556154498.db2.gz MTMKQQYBDFWXLV-UHFFFAOYSA-N 0 0 483.519 5.696 40 0 JKABRN COc1ccc2cc(Br)ccc2c1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000016739522 556156203 /nfs/dbraw/zinc/15/62/03/556156203.db2.gz RIKOIKDNXQHDII-UHFFFAOYSA-N 0 0 452.392 5.635 40 0 JKABRN CCCCc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000016739512 556156207 /nfs/dbraw/zinc/15/62/07/556156207.db2.gz CPYYMXAVMOHIBD-UHFFFAOYSA-N 0 0 457.577 7.559 40 0 JKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2c(F)cccc2Cl)c1 ZINC000016757712 556157754 /nfs/dbraw/zinc/15/77/54/556157754.db2.gz NKMGPKZKLFIDOU-UHFFFAOYSA-N 0 0 459.977 7.481 40 0 JKABRN CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757785 556157830 /nfs/dbraw/zinc/15/78/30/556157830.db2.gz IBXMWAPKZZRVCD-HXUWFJFHSA-N 0 0 451.979 6.175 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2Cl)cc1Cl ZINC000016758024 556158066 /nfs/dbraw/zinc/15/80/66/556158066.db2.gz MDTDYVMPEABTHI-UHFFFAOYSA-N 0 0 476.432 7.995 40 0 JKABRN CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758005 556158103 /nfs/dbraw/zinc/15/81/03/556158103.db2.gz ZRSPGPZVNHDDTN-UHFFFAOYSA-N 0 0 468.376 5.505 40 0 JKABRN Fc1cccc(Cl)c1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757903 556158135 /nfs/dbraw/zinc/15/81/35/556158135.db2.gz MRYRNJWCNYAOFW-UHFFFAOYSA-N 0 0 480.395 7.826 40 0 JKABRN Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1 ZINC000016757960 556158168 /nfs/dbraw/zinc/15/81/68/556158168.db2.gz BDWAKRNNIZMCRH-UHFFFAOYSA-N 0 0 490.401 7.281 40 0 JKABRN COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757950 556158179 /nfs/dbraw/zinc/15/81/79/556158179.db2.gz FMTSVVRKUALFFY-AWEZNQCLSA-N 0 0 468.376 5.504 40 0 JKABRN CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757978 556158188 /nfs/dbraw/zinc/15/81/88/556158188.db2.gz SQVXZWNBMSUIQQ-FQEVSTJZSA-N 0 0 496.430 6.284 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2c(F)cccc2Cl)cc1Cl ZINC000016758082 556158439 /nfs/dbraw/zinc/15/84/39/556158439.db2.gz UXAUIWBBXJLNNW-UHFFFAOYSA-N 0 0 494.422 8.134 40 0 JKABRN OCCN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016768292 556158462 /nfs/dbraw/zinc/15/84/62/556158462.db2.gz BTWRTUSAKDDCOU-UHFFFAOYSA-N 0 0 454.961 5.740 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccc(F)cc2)cc1Cl ZINC000016758045 556158466 /nfs/dbraw/zinc/15/84/66/556158466.db2.gz RYUQNNVQEBVTAL-UHFFFAOYSA-N 0 0 459.977 7.481 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2cccc(F)c2)cc1Cl ZINC000016758090 556158474 /nfs/dbraw/zinc/15/84/74/556158474.db2.gz KBKPOEBRHMEANF-UHFFFAOYSA-N 0 0 459.977 7.481 40 0 JKABRN COc1ccc(CN(C(=O)Nc2ccc(Cl)c(Cl)c2)c2nnc3n2CCCCC3)c(OC)c1 ZINC000016769813 556158810 /nfs/dbraw/zinc/15/88/10/556158810.db2.gz UHRLMMNERVDQNE-UHFFFAOYSA-N 0 0 490.391 5.567 40 0 JKABRN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(Cc2ccccc2)C(C)C)cc1 ZINC000016768375 556158858 /nfs/dbraw/zinc/15/88/58/556158858.db2.gz PGEYFLKOKAHCPI-UHFFFAOYSA-N 0 0 462.597 6.901 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccc(F)cc1)cc2C ZINC000016779640 556159440 /nfs/dbraw/zinc/15/94/40/556159440.db2.gz SDHGNVLVNXYJAV-UHFFFAOYSA-N 0 0 480.561 5.672 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016788684 556159447 /nfs/dbraw/zinc/15/94/47/556159447.db2.gz KXYQXQSDEARWLI-UHFFFAOYSA-N 0 0 488.922 6.337 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000016779632 556159460 /nfs/dbraw/zinc/15/94/60/556159460.db2.gz UITWQECRPSMNCU-UHFFFAOYSA-N 0 0 497.016 6.187 40 0 JKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016788686 556159498 /nfs/dbraw/zinc/15/94/98/556159498.db2.gz HOPYKKOFCBOUNF-UHFFFAOYSA-N 0 0 488.922 6.337 40 0 JKABRN O=C(N1CCN(c2cccc(Cl)c2Cl)CC1)N1c2ccccc2Sc2ccccc21 ZINC000016780235 556159502 /nfs/dbraw/zinc/15/95/02/556159502.db2.gz HGZJPLBPBRMZJT-UHFFFAOYSA-N 0 0 456.398 6.538 40 0 JKABRN O=C(N1CCN(c2cc(Cl)ccc2Cl)CC1)N1c2ccccc2Sc2ccccc21 ZINC000016780229 556159575 /nfs/dbraw/zinc/15/95/75/556159575.db2.gz WYYUZZDTNKOCBT-UHFFFAOYSA-N 0 0 456.398 6.538 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc43)nnc2-c2ccccc2)cc1 ZINC000016788728 556159740 /nfs/dbraw/zinc/15/97/40/556159740.db2.gz XUDKIHYLSZNAQN-UHFFFAOYSA-N 0 0 466.566 5.827 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788871 556159978 /nfs/dbraw/zinc/15/99/78/556159978.db2.gz OENDRSCSKWDOMK-UHFFFAOYSA-N 0 0 499.423 6.371 40 0 JKABRN COc1cc2c(cc1NC(=O)CSc1nnc(-c3cccc(C)c3)n1C)oc1ccccc12 ZINC000016788927 556160033 /nfs/dbraw/zinc/16/00/33/556160033.db2.gz FAPACXVRUDKDCA-UHFFFAOYSA-N 0 0 458.543 5.429 40 0 JKABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(OC)cc2)cc1 ZINC000016788906 556160056 /nfs/dbraw/zinc/16/00/56/556160056.db2.gz CJORFCHXDVYNCH-UHFFFAOYSA-N 0 0 479.005 5.890 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc2-c2cccc(C)c2)cc1 ZINC000016788947 556160071 /nfs/dbraw/zinc/16/00/71/556160071.db2.gz JZEVACRBMXKMLH-UHFFFAOYSA-N 0 0 482.531 6.301 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000016788900 556160082 /nfs/dbraw/zinc/16/00/82/556160082.db2.gz PRCJMPSVUUPZES-UHFFFAOYSA-N 0 0 479.005 5.944 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nnc2-c2ccc(C)cc2)cc1 ZINC000016788840 556160086 /nfs/dbraw/zinc/16/00/86/556160086.db2.gz KLJSQQRGMNZZDK-UHFFFAOYSA-N 0 0 482.968 5.775 40 0 JKABRN COc1ccc(-n2c(SCC(=O)c3ccc(-c4ccccc4)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000016788987 556160212 /nfs/dbraw/zinc/16/02/12/556160212.db2.gz JTLGJKZUBVFKSF-UHFFFAOYSA-N 0 0 491.616 6.893 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccc(OC)cc2)cc1 ZINC000016789069 556160219 /nfs/dbraw/zinc/16/02/19/556160219.db2.gz BAMZPMYUTPPHIV-UHFFFAOYSA-N 0 0 495.004 5.726 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nnc2-c2ccc(OC)cc2)cc1 ZINC000016789065 556160257 /nfs/dbraw/zinc/16/02/57/556160257.db2.gz OLAIHMQIFAKMBV-UHFFFAOYSA-N 0 0 490.585 5.081 40 0 JKABRN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000016788974 556160265 /nfs/dbraw/zinc/16/02/65/556160265.db2.gz CPDVFJBBXYBQAG-UHFFFAOYSA-N 0 0 454.382 6.525 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccc(OC)cc2)cc1 ZINC000016789071 556160286 /nfs/dbraw/zinc/16/02/86/556160286.db2.gz DUUPMVMIGPLBFZ-UHFFFAOYSA-N 0 0 488.613 5.689 40 0 JKABRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2-c2ccc(C)cc2)cc1 ZINC000016789043 556160290 /nfs/dbraw/zinc/16/02/90/556160290.db2.gz PXOAXCSHPXGVAC-UHFFFAOYSA-N 0 0 466.513 5.260 40 0 JKABRN COc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2cccc(OC)c2)cc1 ZINC000016789140 556160526 /nfs/dbraw/zinc/16/05/26/556160526.db2.gz KLRMONRVPFOUDW-UHFFFAOYSA-N 0 0 453.567 6.397 40 0 JKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)c1ccccc1Br ZINC000016789207 556160544 /nfs/dbraw/zinc/16/05/44/556160544.db2.gz GIMFOUIAPXHVIE-UHFFFAOYSA-N 0 0 488.794 5.977 40 0 JKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)Nc1ccc2c[nH]nc2c1 ZINC000016789181 556160558 /nfs/dbraw/zinc/16/05/58/556160558.db2.gz BVMKAIJBFXODEJ-UHFFFAOYSA-N 0 0 460.950 5.195 40 0 JKABRN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000016789130 556160578 /nfs/dbraw/zinc/16/05/78/556160578.db2.gz GVLIFYQIRPVHRO-UHFFFAOYSA-N 0 0 493.032 6.451 40 0 JKABRN COc1ccccc1C(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000016789227 556160595 /nfs/dbraw/zinc/16/05/95/556160595.db2.gz ZQOPHXBRUAVELR-UHFFFAOYSA-N 0 0 470.381 6.225 40 0 JKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)Nc1ccc(F)cc1F ZINC000016789201 556160606 /nfs/dbraw/zinc/16/06/06/556160606.db2.gz AZZGVGVESQQXOR-UHFFFAOYSA-N 0 0 460.893 5.249 40 0 JKABRN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1 ZINC000016789156 556160620 /nfs/dbraw/zinc/16/06/20/556160620.db2.gz FYFZVBILJMWJOD-UHFFFAOYSA-N 0 0 498.395 5.071 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2-c2ccccc2)cc1 ZINC000016789320 556160799 /nfs/dbraw/zinc/16/07/99/556160799.db2.gz HPCRAOGRCDVZIZ-UHFFFAOYSA-N 0 0 466.513 5.164 40 0 JKABRN COc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCc2ccc(C(C)(C)C)cc2)cc1 ZINC000016789292 556160808 /nfs/dbraw/zinc/16/08/08/556160808.db2.gz HXIONUOFAFAWTL-UHFFFAOYSA-N 0 0 494.060 7.098 40 0 JKABRN CCc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000016789344 556160825 /nfs/dbraw/zinc/16/08/25/556160825.db2.gz DZTURSZYLJPISZ-UHFFFAOYSA-N 0 0 458.587 5.448 40 0 JKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000016789388 556160836 /nfs/dbraw/zinc/16/08/36/556160836.db2.gz ZSANXJMFAHOQRB-UHFFFAOYSA-N 0 0 486.641 6.065 40 0 JKABRN Cc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 ZINC000016789285 556160848 /nfs/dbraw/zinc/16/08/48/556160848.db2.gz LLDSYCVFBXRSRP-UHFFFAOYSA-N 0 0 468.966 5.191 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-c2ccccc2)cc1 ZINC000016789364 556160851 /nfs/dbraw/zinc/16/08/51/556160851.db2.gz WCFUFMCHRWPEJV-UHFFFAOYSA-N 0 0 458.587 5.502 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2-c2ccc(C)cc2)cc1 ZINC000016789390 556161028 /nfs/dbraw/zinc/16/10/28/556161028.db2.gz RETXXASYHBYROQ-UHFFFAOYSA-N 0 0 496.995 5.986 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nnc2-c2ccccn2)cc1 ZINC000016789547 556161036 /nfs/dbraw/zinc/16/10/36/556161036.db2.gz YBIIOYLZIOVTKY-UHFFFAOYSA-N 0 0 486.384 5.376 40 0 JKABRN COc1ccc(-n2c(SCC(=O)c3ccc(Cl)c(Cl)c3)nnc2-c2ccccn2)cc1 ZINC000016789543 556161045 /nfs/dbraw/zinc/16/10/45/556161045.db2.gz XNTXLAFFYPJFSP-UHFFFAOYSA-N 0 0 471.369 5.620 40 0 JKABRN O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl ZINC000016789511 556161055 /nfs/dbraw/zinc/16/10/55/556161055.db2.gz CWWKYGCHSZOWPU-UHFFFAOYSA-N 0 0 490.803 6.020 40 0 JKABRN Cc1ccc(OCc2nnc(SCc3c(F)cccc3F)n2-c2ccc(Cl)cc2)cc1 ZINC000016789403 556161093 /nfs/dbraw/zinc/16/10/93/556161093.db2.gz RVAUMAGAJRNPDZ-UHFFFAOYSA-N 0 0 457.933 6.379 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3Cl)nnc2-c2ccccn2)cc1 ZINC000016789545 556161099 /nfs/dbraw/zinc/16/10/99/556161099.db2.gz FPVTYERTOMCFAW-UHFFFAOYSA-N 0 0 486.384 5.376 40 0 JKABRN O=C(CSc1nnc(Cc2cccs2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016789614 556161343 /nfs/dbraw/zinc/16/13/43/556161343.db2.gz ZWQACHBRAWGZCK-UHFFFAOYSA-N 0 0 460.411 6.201 40 0 JKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(Cl)cc2)c1 ZINC000016789620 556161373 /nfs/dbraw/zinc/16/13/73/556161373.db2.gz QMDCURIMDJUEKZ-UHFFFAOYSA-N 0 0 469.035 5.921 40 0 JKABRN CCOC(=O)CC(=O)C[C@@H](O)C=Cc1c(C(C)C)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000012957891 556162252 /nfs/dbraw/zinc/16/22/52/556162252.db2.gz DAKSKMZHQSLQEF-FRFYRWIFSA-N 0 0 464.537 5.088 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc(NS(=O)(=O)c1ccc(F)cc1)cc2C ZINC000016807667 556162361 /nfs/dbraw/zinc/16/23/61/556162361.db2.gz BVWLPPNIAFITMS-UHFFFAOYSA-N 0 0 496.560 5.373 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(C)c(NS(=O)(=O)c3ccc(F)cc3)cc21 ZINC000016807669 556162451 /nfs/dbraw/zinc/16/24/51/556162451.db2.gz UBCPUQJYGIHESG-UHFFFAOYSA-N 0 0 496.560 5.373 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000016807630 556162477 /nfs/dbraw/zinc/16/24/77/556162477.db2.gz VIVVNZQGLTZJNF-UHFFFAOYSA-N 0 0 462.571 5.533 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc(NS(=O)(=O)c1ccccc1)cc2Cl ZINC000016807650 556162490 /nfs/dbraw/zinc/16/24/90/556162490.db2.gz VJYMSUZPHDJZPY-UHFFFAOYSA-N 0 0 498.988 5.578 40 0 JKABRN COc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000016807868 556162684 /nfs/dbraw/zinc/16/26/84/556162684.db2.gz YJSVDRXPBZUWLT-UHFFFAOYSA-N 0 0 485.396 5.981 40 0 JKABRN COc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000016902507 556173540 /nfs/dbraw/zinc/17/35/40/556173540.db2.gz MNNDQKLZBCMSAU-FQEVSTJZSA-N 0 0 471.557 5.043 40 0 JKABRN C(=C[C@H](Sc1ccccc1)c1ccccc1)NN=C1NN=C(c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000016957635 556188939 /nfs/dbraw/zinc/18/89/39/556188939.db2.gz HDKXFUMPAGMDHU-RRKDMDGFSA-N 0 0 489.648 6.233 40 0 JKABRN O=C(/C=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OCc1ccccc1 ZINC000017004292 556199339 /nfs/dbraw/zinc/19/93/39/556199339.db2.gz YIRBVYWXBGXDBH-ZPHPHTNESA-N 0 0 450.534 6.601 40 0 JKABRN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000013014775 556206209 /nfs/dbraw/zinc/20/62/09/556206209.db2.gz UXWDHXJPWLTRDR-XWRJXSCISA-N 0 0 458.558 5.556 40 0 JKABRN CC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013024953 556215191 /nfs/dbraw/zinc/21/51/91/556215191.db2.gz LWRZQLXDEDSXGT-XMMPIXPASA-N 0 0 464.949 5.583 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013024951 556215207 /nfs/dbraw/zinc/21/52/07/556215207.db2.gz FWCKQKGCKOVFHM-DEOSSOPVSA-N 0 0 479.964 5.338 40 0 JKABRN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc(Br)cc1 ZINC000017083457 556215359 /nfs/dbraw/zinc/21/53/59/556215359.db2.gz HSGFWULPVZCMRL-QHCPKHFHSA-N 0 0 470.750 5.110 40 0 JKABRN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccc(Cl)cc1 ZINC000017083412 556215386 /nfs/dbraw/zinc/21/53/86/556215386.db2.gz SYYDSBMEEJNWOI-HSZRJFAPSA-N 0 0 470.750 5.110 40 0 JKABRN O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(Cl)cc1 ZINC000017083423 556215399 /nfs/dbraw/zinc/21/53/99/556215399.db2.gz IYBKQRYDDCMBTI-DEOSSOPVSA-N 0 0 484.777 5.152 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000013025277 556215814 /nfs/dbraw/zinc/21/58/14/556215814.db2.gz BVTPOZXTHCSJJF-NRFANRHFSA-N 0 0 457.452 5.140 40 0 JKABRN O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000013025275 556215821 /nfs/dbraw/zinc/21/58/21/556215821.db2.gz BVTPOZXTHCSJJF-OAQYLSRUSA-N 0 0 457.452 5.140 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccccc4Cl)OC3=O)cc2)cc1 ZINC000017086206 556215963 /nfs/dbraw/zinc/21/59/63/556215963.db2.gz ACBKZECHSCIPBL-XQNSMLJCSA-N 0 0 459.929 6.201 40 0 JKABRN COc1ccc(C2=N/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)cc1 ZINC000017086187 556216047 /nfs/dbraw/zinc/21/60/47/556216047.db2.gz BWYBXSINFGRGRI-HYARGMPZSA-N 0 0 464.315 5.381 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)cc1 ZINC000013025500 556216058 /nfs/dbraw/zinc/21/60/58/556216058.db2.gz UAMLISVNFCNTJU-AREMUKBSSA-N 0 0 474.557 5.328 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 ZINC000013025483 556216126 /nfs/dbraw/zinc/21/61/26/556216126.db2.gz KTIWQWQPTKSJEJ-DEOSSOPVSA-N 0 0 450.510 5.264 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1 ZINC000013025522 556216178 /nfs/dbraw/zinc/21/61/78/556216178.db2.gz KXIQJFASZBEMED-AREMUKBSSA-N 0 0 492.572 5.142 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2OC)cc1 ZINC000013025537 556216408 /nfs/dbraw/zinc/21/64/08/556216408.db2.gz UJHDOKSRTPKRLB-RUZDIDTESA-N 0 0 462.546 5.134 40 0 JKABRN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000017086293 556216410 /nfs/dbraw/zinc/21/64/10/556216410.db2.gz HMKJMBQYZKVQBS-RUZDIDTESA-N 0 0 485.975 5.747 40 0 JKABRN CCn1c2ccccc2c2cc([C@@H](C(=O)NC3CCCC3)N(C(=O)c3ccco3)C3CCCC3)ccc21 ZINC000013025655 556216585 /nfs/dbraw/zinc/21/65/85/556216585.db2.gz BHYDXBCVIYOFNI-LJAQVGFWSA-N 0 0 497.639 6.592 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000013025718 556216617 /nfs/dbraw/zinc/21/66/17/556216617.db2.gz VGINYOIHMNKPJR-QFIPXVFZSA-N 0 0 474.454 5.884 40 0 JKABRN CCCCCc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(CCCCC)cc3)c2)cc1 ZINC000017087287 556216613 /nfs/dbraw/zinc/21/66/13/556216613.db2.gz UNGZGARCALMOFO-UHFFFAOYSA-N 0 0 458.598 7.590 40 0 JKABRN COc1ccc(Cl)cc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013025780 556216630 /nfs/dbraw/zinc/21/66/30/556216630.db2.gz GSEBYDIOPWUKNQ-HSZRJFAPSA-N 0 0 470.928 5.528 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)c2ccco2)c1 ZINC000013025802 556216983 /nfs/dbraw/zinc/21/69/83/556216983.db2.gz NWOLPMSEXYNKBT-RUZDIDTESA-N 0 0 450.579 5.421 40 0 JKABRN COc1ccc(Cl)cc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013025782 556216995 /nfs/dbraw/zinc/21/69/95/556216995.db2.gz GSEBYDIOPWUKNQ-QHCPKHFHSA-N 0 0 470.928 5.528 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)c(Cl)c2)c1 ZINC000013025850 556216999 /nfs/dbraw/zinc/21/69/99/556216999.db2.gz OLCDTTNVXVQSHD-QHCPKHFHSA-N 0 0 470.928 5.528 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)c2ccco2)c1 ZINC000013025818 556217021 /nfs/dbraw/zinc/21/70/21/556217021.db2.gz CDDDROKUWSEGCN-DEOSSOPVSA-N 0 0 466.965 5.384 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)c2ccco2)c1OC ZINC000013025939 556217210 /nfs/dbraw/zinc/21/72/10/556217210.db2.gz ZWZMSPHONYJCQZ-VWLOTQADSA-N 0 0 480.605 5.430 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)cc1 ZINC000013026019 556217494 /nfs/dbraw/zinc/21/74/94/556217494.db2.gz IVPOFYXNPMPLQQ-RUZDIDTESA-N 0 0 492.572 5.142 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(C)c2)c1OC ZINC000013026059 556217499 /nfs/dbraw/zinc/21/74/99/556217499.db2.gz ZNAGNCIPTCMOBU-VWLOTQADSA-N 0 0 476.573 5.361 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)c1OC ZINC000013025976 556217540 /nfs/dbraw/zinc/21/75/40/556217540.db2.gz ZMCODKRUOPJWAY-XMMPIXPASA-N 0 0 480.536 5.191 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)cc1 ZINC000013026020 556217552 /nfs/dbraw/zinc/21/75/52/556217552.db2.gz IVPOFYXNPMPLQQ-VWLOTQADSA-N 0 0 492.572 5.142 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2)c1OC ZINC000013026061 556217561 /nfs/dbraw/zinc/21/75/61/556217561.db2.gz QPHDQMGAKDKGTP-XMMPIXPASA-N 0 0 462.546 5.052 40 0 JKABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc(OC)c1OC ZINC000013026248 556217853 /nfs/dbraw/zinc/21/78/53/556217853.db2.gz CZVLVAXZICRUAO-VWLOTQADSA-N 0 0 492.572 5.061 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)cc1OC ZINC000013026322 556218130 /nfs/dbraw/zinc/21/81/30/556218130.db2.gz VZDCPMGSCGOXGL-AREMUKBSSA-N 0 0 476.573 5.048 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc3ccccc32)cc1OC ZINC000013026330 556218185 /nfs/dbraw/zinc/21/81/85/556218185.db2.gz RIBQXCBAERCKBH-MUUNZHRXSA-N 0 0 498.579 5.897 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(Cl)cc2)cc1OC ZINC000013026340 556218199 /nfs/dbraw/zinc/21/81/99/556218199.db2.gz QYDWYBFTQYVYKK-DEOSSOPVSA-N 0 0 482.964 5.397 40 0 JKABRN CCOc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)c(OC)c1 ZINC000013026432 556218428 /nfs/dbraw/zinc/21/84/28/556218428.db2.gz OIYRNPCHFKZCPK-AREMUKBSSA-N 0 0 492.572 5.142 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)cc1OC ZINC000013026359 556218484 /nfs/dbraw/zinc/21/84/84/556218484.db2.gz XOUKKWVESKQZJG-VWLOTQADSA-N 0 0 480.536 5.191 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(Cl)cc2)cc1 ZINC000013026526 556218689 /nfs/dbraw/zinc/21/86/89/556218689.db2.gz UQZALNOZOXFORK-HSZRJFAPSA-N 0 0 452.938 5.389 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1OC ZINC000013026454 556218777 /nfs/dbraw/zinc/21/87/77/556218777.db2.gz VCTMNWPCZBXMJI-VWLOTQADSA-N 0 0 462.546 5.052 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)cc1 ZINC000013026533 556218976 /nfs/dbraw/zinc/21/89/76/556218976.db2.gz RGZQKQOQGIKFJZ-HSZRJFAPSA-N 0 0 452.938 5.389 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000013026727 556219193 /nfs/dbraw/zinc/21/91/93/556219193.db2.gz FZFMEMFVMXQWTD-MHZLTWQESA-N 0 0 487.600 5.808 40 0 JKABRN COc1cccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)c1 ZINC000013026705 556219298 /nfs/dbraw/zinc/21/92/98/556219298.db2.gz WZPSIZAWQPZZTQ-MHZLTWQESA-N 0 0 474.601 5.854 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccc(OC)c2)C(=O)c2ccco2)cc1 ZINC000013026782 556219473 /nfs/dbraw/zinc/21/94/73/556219473.db2.gz QAWKJFPMPBLZQP-AREMUKBSSA-N 0 0 460.574 5.293 40 0 JKABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)cc1OC ZINC000013026745 556219493 /nfs/dbraw/zinc/21/94/93/556219493.db2.gz XPFXHWXUXJGVRU-MHZLTWQESA-N 0 0 490.600 5.867 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026827 556219504 /nfs/dbraw/zinc/21/95/04/556219504.db2.gz YCAZNAWBMUYKRZ-SANMLTNESA-N 0 0 476.573 5.306 40 0 JKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 ZINC000013026814 556219515 /nfs/dbraw/zinc/21/95/15/556219515.db2.gz XPPQSIDBVXREEW-SANMLTNESA-N 0 0 474.557 5.060 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(NC(C)=O)cc2)cc1 ZINC000013026802 556219590 /nfs/dbraw/zinc/21/95/90/556219590.db2.gz BRAYSMJLXDUXCI-AREMUKBSSA-N 0 0 473.573 5.247 40 0 JKABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC ZINC000013026925 556219790 /nfs/dbraw/zinc/21/97/90/556219790.db2.gz FBTOXMWMSKHJAO-RUZDIDTESA-N 0 0 462.546 5.052 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1nsc(Cl)c1Cl)C1CCCC1 ZINC000013027089 556220122 /nfs/dbraw/zinc/22/01/22/556220122.db2.gz GULNDNIBCGMRRM-FQEVSTJZSA-N 0 0 498.451 6.164 40 0 JKABRN COc1ccccc1NC(=O)CSc1nc(CCc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000013027824 556221044 /nfs/dbraw/zinc/22/10/44/556221044.db2.gz FOOYIVBBTAKMMG-UHFFFAOYSA-N 0 0 489.666 6.095 40 0 JKABRN CCc1nc2sc(C)c(C)c2c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1 ZINC000013027905 556221361 /nfs/dbraw/zinc/22/13/61/556221361.db2.gz KNVDLETVRUJHMO-UHFFFAOYSA-N 0 0 498.098 7.446 40 0 JKABRN Cc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1C ZINC000013030183 556225010 /nfs/dbraw/zinc/22/50/10/556225010.db2.gz OPVFNEDLEJVQNB-NDEPHWFRSA-N 0 0 499.590 5.021 40 0 JKABRN Cc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1C ZINC000013030180 556225070 /nfs/dbraw/zinc/22/50/70/556225070.db2.gz OPVFNEDLEJVQNB-MUUNZHRXSA-N 0 0 499.590 5.021 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013032677 556231778 /nfs/dbraw/zinc/23/17/78/556231778.db2.gz XUNITPPPPQBGMU-VWLOTQADSA-N 0 0 489.645 5.189 40 0 JKABRN CSc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000026115634 556246073 /nfs/dbraw/zinc/24/60/73/556246073.db2.gz RRCZNUZRPHLSIH-UHFFFAOYSA-N 0 0 494.682 5.426 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118352 556247631 /nfs/dbraw/zinc/24/76/31/556247631.db2.gz MRYHRMILIOVMCG-UHFFFAOYSA-N 0 0 473.447 5.388 40 0 JKABRN CSc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118450 556247892 /nfs/dbraw/zinc/24/78/92/556247892.db2.gz YBIYTFRGODHVTG-UHFFFAOYSA-N 0 0 499.123 5.005 40 0 JKABRN CCCCc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000026119129 556248260 /nfs/dbraw/zinc/24/82/60/556248260.db2.gz YYKHTWAGCZZWHT-UHFFFAOYSA-N 0 0 460.665 5.424 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1C(=O)N1CCCCCC1 ZINC000026119665 556248562 /nfs/dbraw/zinc/24/85/62/556248562.db2.gz KYINSNQSTDZCOF-UHFFFAOYSA-N 0 0 454.617 5.379 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000026120036 556248800 /nfs/dbraw/zinc/24/88/00/556248800.db2.gz IDNBJBCEODTQLY-UHFFFAOYSA-N 0 0 453.029 5.187 40 0 JKABRN CSc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)N1CCCCCC1 ZINC000026120121 556248887 /nfs/dbraw/zinc/24/88/87/556248887.db2.gz YMMNSZSEFQFQNZ-UHFFFAOYSA-N 0 0 486.703 5.068 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C(=O)N1CCCCCC1 ZINC000026120851 556249140 /nfs/dbraw/zinc/24/91/40/556249140.db2.gz OEAQINZFMJTBNP-UHFFFAOYSA-N 0 0 473.447 5.532 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000026124630 556249750 /nfs/dbraw/zinc/24/97/50/556249750.db2.gz QFMUGNLYLCSEET-UHFFFAOYSA-N 0 0 461.736 5.707 40 0 JKABRN COc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1Br ZINC000026124360 556249755 /nfs/dbraw/zinc/24/97/55/556249755.db2.gz GBXFDYDNLPZGRM-UHFFFAOYSA-N 0 0 471.742 5.406 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000026124449 556249767 /nfs/dbraw/zinc/24/97/67/556249767.db2.gz WNZYPMQNXJPRFD-UHFFFAOYSA-N 0 0 468.944 6.214 40 0 JKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccc(Br)cc1 ZINC000026124600 556249882 /nfs/dbraw/zinc/24/98/82/556249882.db2.gz QWGPNJZXENYOQU-UHFFFAOYSA-N 0 0 471.742 5.162 40 0 JKABRN CC(C)(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000026441819 556253849 /nfs/dbraw/zinc/25/38/49/556253849.db2.gz IQUWJQJMWFRVLA-UHFFFAOYSA-N 0 0 472.614 5.875 40 0 JKABRN COc1ccc2c(c1OC)/C(=C/c1ccccc1)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000017328715 556258714 /nfs/dbraw/zinc/25/87/14/556258714.db2.gz WZFFWDNRLXHYID-OLJMTGMTSA-N 0 0 487.552 5.240 40 0 JKABRN C[C@H](CCC(O)(CC[C@H](C)CC(C)(C)C)C(=O)COC(=O)c1ccc(O)cc1)CC(C)(C)C ZINC000017352582 556259071 /nfs/dbraw/zinc/25/90/71/556259071.db2.gz SHALQAZWLACCBM-QOEARLRASA-N 0 0 462.671 6.554 40 0 JKABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000017356593 556259430 /nfs/dbraw/zinc/25/94/30/556259430.db2.gz HXXCMCOECIEQJE-UHFFFAOYSA-N 0 0 487.003 5.256 40 0 JKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2C(F)(F)F)c2ccccc2)c1C ZINC000026770821 556260604 /nfs/dbraw/zinc/26/06/04/556260604.db2.gz YZXNFKWHWDPPHZ-XMMPIXPASA-N 0 0 480.555 7.838 40 0 JKABRN COc1ccc(N[C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)c(OC)c1 ZINC000026770823 556260608 /nfs/dbraw/zinc/26/06/08/556260608.db2.gz BKAJQFFOWNHUOP-SANMLTNESA-N 0 0 472.610 6.836 40 0 JKABRN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCOCC2)c(OC)c1 ZINC000026770875 556260845 /nfs/dbraw/zinc/26/08/45/556260845.db2.gz KAISROIQIINBIZ-XMMPIXPASA-N 0 0 466.603 5.056 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063800 556261202 /nfs/dbraw/zinc/26/12/02/556261202.db2.gz XACPBDNVFLNUOG-RUZDIDTESA-N 0 0 472.637 5.164 40 0 JKABRN CCCOP(=O)(OCCC)[C@@H](NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000026779847 556261775 /nfs/dbraw/zinc/26/17/75/556261775.db2.gz RQHNDOWWRNWYLP-HXUWFJFHSA-N 0 0 454.301 5.924 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000026779996 556262146 /nfs/dbraw/zinc/26/21/46/556262146.db2.gz PWELGHSTBRCSTP-UHFFFAOYSA-N 0 0 450.347 5.747 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000026779998 556262191 /nfs/dbraw/zinc/26/21/91/556262191.db2.gz CGDCSIVLPULAHT-UHFFFAOYSA-N 0 0 483.899 6.112 40 0 JKABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064613 556262274 /nfs/dbraw/zinc/26/22/74/556262274.db2.gz GRRHGRWRZGTLDA-RUZDIDTESA-N 0 0 462.642 5.533 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064598 556262451 /nfs/dbraw/zinc/26/24/51/556262451.db2.gz TYEOIYSNYMWRDA-MHZLTWQESA-N 0 0 484.648 5.443 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065030 556263186 /nfs/dbraw/zinc/26/31/86/556263186.db2.gz JMLMKZONVXUWTI-RUZDIDTESA-N 0 0 486.664 5.473 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065026 556263425 /nfs/dbraw/zinc/26/34/25/556263425.db2.gz JWEANCRQDKOUDK-JOCHJYFZSA-N 0 0 450.631 5.172 40 0 JKABRN C[C@@H]1CCCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)C1 ZINC000013065328 556264034 /nfs/dbraw/zinc/26/40/34/556264034.db2.gz BGUOSZZVBHJMHD-WBVHZDCISA-N 0 0 457.709 6.070 40 0 JKABRN CCc1ccc(-n2c3nn(CN(C)Cc4ccc(C)cc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070152 556267431 /nfs/dbraw/zinc/26/74/31/556267431.db2.gz IJOCNEJRAAWGNX-UHFFFAOYSA-N 0 0 469.614 5.130 40 0 JKABRN CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000017837428 556268423 /nfs/dbraw/zinc/26/84/23/556268423.db2.gz MQUJYGBJYHJVTE-CBKSTNSXSA-N 0 0 459.384 5.325 40 0 JKABRN CCc1ccc(-n2c3nn(CN4CCC[C@@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013073419 556273090 /nfs/dbraw/zinc/27/30/90/556273090.db2.gz DLSIUUOBBCUDPG-REWPJTCUSA-N 0 0 473.646 5.344 40 0 JKABRN CCOC(=O)Nc1sc(=Nc2ccc(OC)cc2)n(-c2ccc(OC)cc2)c1-c1ccccc1 ZINC000027061765 556273186 /nfs/dbraw/zinc/27/31/86/556273186.db2.gz KQOHPFRMKNHLBA-RFBIWTDZSA-N 0 0 475.570 6.024 40 0 JKABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2cccc3ccccc32)C1)Nc1cccc2ccccc21 ZINC000018032489 556278383 /nfs/dbraw/zinc/27/83/83/556278383.db2.gz YYOPKGFDJRELPV-SZPZYZBQSA-N 0 0 480.612 6.743 40 0 JKABRN O=C(c1cc2sccc2n1Cc1ccccc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000013083059 556278639 /nfs/dbraw/zinc/27/86/39/556278639.db2.gz NKOKCQSCUMVSAB-QFIPXVFZSA-N 0 0 465.018 6.226 40 0 JKABRN O=C(c1cc2sccc2n1Cc1ccccc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000013083060 556278652 /nfs/dbraw/zinc/27/86/52/556278652.db2.gz NKOKCQSCUMVSAB-JOCHJYFZSA-N 0 0 465.018 6.226 40 0 JKABRN O=C(c1cc2sccc2n1Cc1ccccc1)N(Cc1ccc2c(c1)OCO2)C[C@@H]1CC=CCC1 ZINC000013083064 556278779 /nfs/dbraw/zinc/27/87/79/556278779.db2.gz PSWHHKPMLWVUSM-OAQYLSRUSA-N 0 0 484.621 6.479 40 0 JKABRN Cc1ccc(C)c(Cn2c3ccccc3n3c(SCC(=O)N4CCc5ccccc54)nnc23)c1 ZINC000013084117 556281375 /nfs/dbraw/zinc/28/13/75/556281375.db2.gz LDYGTWFSGMBTJN-UHFFFAOYSA-N 0 0 467.598 5.031 40 0 JKABRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(Cl)s1)Nc1ccccc1C(F)(F)F ZINC000027515779 556282442 /nfs/dbraw/zinc/28/24/42/556282442.db2.gz CMVXWNFIWYJCEY-UHFFFAOYSA-N 0 0 476.911 6.595 40 0 JKABRN O=C(CSc1nnc2c3ccccc3nc(C3CCCCC3)n12)Nc1nc2ccccc2s1 ZINC000013086083 556285550 /nfs/dbraw/zinc/28/55/50/556285550.db2.gz WIGIGFOUAZBQNP-UHFFFAOYSA-N 0 0 474.615 5.666 40 0 JKABRN Cc1cc2nc(-c3ccc(SCC(=O)N(C4CCCCC4)C4CCCCC4)nc3)[nH]c2cc1C ZINC000013086535 556286190 /nfs/dbraw/zinc/28/61/90/556286190.db2.gz SHDDQRFEDYYLIA-UHFFFAOYSA-N 0 0 476.690 6.828 40 0 JKABRN CCN(C(=O)c1cc2cc(Br)cc(Br)c2oc1=O)C1CCCCC1 ZINC000027529378 556290688 /nfs/dbraw/zinc/29/06/88/556290688.db2.gz DOUHTEZIXPEONK-UHFFFAOYSA-N 0 0 457.162 5.113 40 0 JKABRN CC(C)(C)c1cc(-c2cs/c(=N\Cc3ccco3)n2-c2ccccc2)cc(C(C)(C)C)c1O ZINC000018137424 556292907 /nfs/dbraw/zinc/29/29/07/556292907.db2.gz YUICGULLBPKKTB-WCTVFOPTSA-N 0 0 460.643 7.200 40 0 JKABRN CC(=O)c1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000018141559 556293188 /nfs/dbraw/zinc/29/31/88/556293188.db2.gz HSXVVTORFWMXAL-UHFFFAOYSA-N 0 0 465.569 5.271 40 0 JKABRN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 ZINC000027792742 556307260 /nfs/dbraw/zinc/30/72/60/556307260.db2.gz NTWJXOYMGOJCNQ-QHCPKHFHSA-N 0 0 453.586 5.869 40 0 JKABRN O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1cccc(Br)c1 ZINC000027825147 556308572 /nfs/dbraw/zinc/30/85/72/556308572.db2.gz ORGVOXJAHGQXCN-OAQYLSRUSA-O 0 0 478.395 5.164 40 0 JKABRN CC(C)CN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccc(Br)cc23)C1=O ZINC000027907009 556309788 /nfs/dbraw/zinc/30/97/88/556309788.db2.gz DWSJKBBPDRVFLO-UUYOSTAYSA-N 0 0 499.430 6.175 40 0 JKABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2nc3ccccc3s2)C1)Nc1nc2ccccc2s1 ZINC000018208592 556309974 /nfs/dbraw/zinc/30/99/74/556309974.db2.gz PSYLYPMJSGKUMK-IYBDPMFKSA-N 0 0 494.646 5.656 40 0 JKABRN COc1ccccc1[C@@H]1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(C)cc3)N2C1=S ZINC000018255877 556317236 /nfs/dbraw/zinc/31/72/36/556317236.db2.gz CBEMFFIPAARHSN-GGBSJPMNSA-N 0 0 452.579 5.495 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)c(Cl)c1 ZINC000018268105 556317580 /nfs/dbraw/zinc/31/75/80/556317580.db2.gz AQOILVMIYZBPLJ-XFKLWTPLSA-N 0 0 454.792 5.254 40 0 JKABRN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206963 556317735 /nfs/dbraw/zinc/31/77/35/556317735.db2.gz GISWYOIZBAIDDO-AWEZNQCLSA-N 0 0 461.370 5.386 40 0 JKABRN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2N1C(=O)c1ccccc1 ZINC000028206992 556317751 /nfs/dbraw/zinc/31/77/51/556317751.db2.gz UOYDFSKXVGLKPG-HXUWFJFHSA-N 0 0 484.577 5.871 40 0 JKABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028207143 556317962 /nfs/dbraw/zinc/31/79/62/556317962.db2.gz LWOHAUWJVJJPMZ-IBGZPJMESA-N 0 0 492.597 5.036 40 0 JKABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)c(C)c1 ZINC000028207796 556318308 /nfs/dbraw/zinc/31/83/08/556318308.db2.gz IEEWSSHDDXATPQ-UHFFFAOYSA-N 0 0 484.643 5.194 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000028208595 556318887 /nfs/dbraw/zinc/31/88/87/556318887.db2.gz YKWDFJUWPLLVRD-UHFFFAOYSA-N 0 0 464.587 5.225 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc(Cl)c1Cl ZINC000028208743 556319240 /nfs/dbraw/zinc/31/92/40/556319240.db2.gz MXNRQPRGXCHSSK-UHFFFAOYSA-N 0 0 489.424 5.706 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc(Br)c1 ZINC000028208730 556319262 /nfs/dbraw/zinc/31/92/62/556319262.db2.gz BJQXZVWYPXXJNK-UHFFFAOYSA-N 0 0 499.430 5.162 40 0 JKABRN Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c(C)c1 ZINC000028208841 556319407 /nfs/dbraw/zinc/31/94/07/556319407.db2.gz FTARTGOSIGXXJW-UHFFFAOYSA-N 0 0 462.615 5.325 40 0 JKABRN C[C@H](NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1)c1ccccc1 ZINC000028209051 556319679 /nfs/dbraw/zinc/31/96/79/556319679.db2.gz CAPGLBSGXCNNFY-INIZCTEOSA-N 0 0 468.575 5.357 40 0 JKABRN CN(c1ccc2sc(C(=O)Nc3ccccc3Cl)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209095 556319694 /nfs/dbraw/zinc/31/96/94/556319694.db2.gz GYQCNSVRKJRKMP-UHFFFAOYSA-N 0 0 474.966 5.771 40 0 JKABRN Cc1cccc(C)c1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209079 556319709 /nfs/dbraw/zinc/31/97/09/556319709.db2.gz JQVCZTVVZYYILC-UHFFFAOYSA-N 0 0 468.575 5.735 40 0 JKABRN CC(C)c1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)cc1 ZINC000028209088 556319754 /nfs/dbraw/zinc/31/97/54/556319754.db2.gz ONGYDXQQZWXDIU-UHFFFAOYSA-N 0 0 482.602 6.241 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209105 556320048 /nfs/dbraw/zinc/32/00/48/556320048.db2.gz RXUNURIXBXSZDI-UHFFFAOYSA-N 0 0 488.993 6.080 40 0 JKABRN CC(=O)Nc1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)cc1 ZINC000028209155 556320094 /nfs/dbraw/zinc/32/00/94/556320094.db2.gz FMXZYUQPFJBLMU-UHFFFAOYSA-N 0 0 497.573 5.076 40 0 JKABRN COc1ccc(C)cc1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209135 556320096 /nfs/dbraw/zinc/32/00/96/556320096.db2.gz DJOFBWCDRLVLKW-UHFFFAOYSA-N 0 0 484.574 5.435 40 0 JKABRN CCOc1ccccc1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209123 556320131 /nfs/dbraw/zinc/32/01/31/556320131.db2.gz MPKZWAWRMTUGEO-UHFFFAOYSA-N 0 0 484.574 5.517 40 0 JKABRN CC(=O)c1cccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)c1 ZINC000028209151 556320148 /nfs/dbraw/zinc/32/01/48/556320148.db2.gz BXIIJODVLPXNSH-UHFFFAOYSA-N 0 0 482.558 5.320 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3cc(C)ccc3C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209271 556320359 /nfs/dbraw/zinc/32/03/59/556320359.db2.gz KCEQZIHUDGREOW-UHFFFAOYSA-N 0 0 492.666 6.684 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccc(C)cc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209265 556320369 /nfs/dbraw/zinc/32/03/69/556320369.db2.gz KHWQKALJTKZADQ-UHFFFAOYSA-N 0 0 478.639 6.376 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccc(OC)cc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209309 556320403 /nfs/dbraw/zinc/32/04/03/556320403.db2.gz AGUTZNVKIFOSQV-UHFFFAOYSA-N 0 0 494.638 6.076 40 0 JKABRN CCCN(c1ccc2sc(C(=O)N(C)Cc3ccccc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209332 556320546 /nfs/dbraw/zinc/32/05/46/556320546.db2.gz YXENWWAXDSXLLD-UHFFFAOYSA-N 0 0 492.666 6.087 40 0 JKABRN COc1cc(-c2cs/c(=N\c3cc(C)ccc3C)n2C[C@H]2CCCO2)cc(OC)c1OC ZINC000013117132 556325499 /nfs/dbraw/zinc/32/54/99/556325499.db2.gz XXFXHJIXUOVPLZ-ZTUOXYGRSA-N 0 0 454.592 5.271 40 0 JKABRN COc1cc2c(cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)oc1ccccc12 ZINC000019074421 556327485 /nfs/dbraw/zinc/32/74/85/556327485.db2.gz ZUNSACFJKHWFKW-UHFFFAOYSA-N 0 0 453.338 6.885 40 0 JKABRN CC1(C)C[C@H](NC(=O)Nc2cc(F)ccc2F)C[C@](C)(CNC(=O)Nc2cc(F)ccc2F)C1 ZINC000019075190 556327581 /nfs/dbraw/zinc/32/75/81/556327581.db2.gz XZCPTCLHKJVFBN-FYSMJZIKSA-N 0 0 480.506 5.771 40 0 JKABRN O=C(Nc1nc(NC(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000019074515 556327660 /nfs/dbraw/zinc/32/76/60/556327660.db2.gz ABNMEMJAYDLTNN-UHFFFAOYSA-N 0 0 464.312 5.350 40 0 JKABRN CC(C)(NC(=O)N1CCc2ccccc21)c1cccc(C(C)(C)NC(=O)N2CCc3ccccc32)c1 ZINC000019075309 556327862 /nfs/dbraw/zinc/32/78/62/556327862.db2.gz ORTOUONPNPMXAS-UHFFFAOYSA-N 0 0 482.628 5.701 40 0 JKABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)N2CCCc3ccccc32)C1)N1CCCc2ccccc21 ZINC000019075345 556327928 /nfs/dbraw/zinc/32/79/28/556327928.db2.gz RLCDYELCLCCGPV-FGZHOGPDSA-N 0 0 460.622 5.118 40 0 JKABRN COCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(Cl)cc1 ZINC000028363122 556332314 /nfs/dbraw/zinc/33/23/14/556332314.db2.gz PFYPZOIEUJCWNP-UHFFFAOYSA-N 0 0 471.797 5.283 40 0 JKABRN CCN(CC)C(=S)S[C@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 ZINC000019202393 556333769 /nfs/dbraw/zinc/33/37/69/556333769.db2.gz ZNYNAFPXZUUXLD-MOPGFXCFSA-N 0 0 450.423 5.494 40 0 JKABRN O=C(Nc1cccc(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1ccc(Br)cc1 ZINC000028527090 556334527 /nfs/dbraw/zinc/33/45/27/556334527.db2.gz XKPVVGSNDZLCBF-UHFFFAOYSA-N 0 0 474.790 5.659 40 0 JKABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1noc(-c3ccc(Cl)cc3)n1)CCCC2 ZINC000028527450 556334578 /nfs/dbraw/zinc/33/45/78/556334578.db2.gz NKYRJQUGKSZRBG-UHFFFAOYSA-N 0 0 477.995 5.238 40 0 JKABRN CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000028527781 556334937 /nfs/dbraw/zinc/33/49/37/556334937.db2.gz CRHVCGZVKRIJJL-UHFFFAOYSA-N 0 0 458.393 6.112 40 0 JKABRN COc1ccc(Cl)cc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)cc1 ZINC000028527884 556335004 /nfs/dbraw/zinc/33/50/04/556335004.db2.gz AIQYMMRHYYSKHA-UHFFFAOYSA-N 0 0 460.365 5.559 40 0 JKABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(Cc3ccco3)Cc3ccccc3)cc2c1 ZINC000019220771 556334982 /nfs/dbraw/zinc/33/49/82/556334982.db2.gz FGFJTFWSVUFVPK-MHZLTWQESA-N 0 0 494.599 5.323 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)c1c(N)n(C(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000028535407 556335196 /nfs/dbraw/zinc/33/51/96/556335196.db2.gz XMFBTIHUXGSQJY-UHFFFAOYSA-N 0 0 454.313 5.480 40 0 JKABRN COc1ccc(C(=O)n2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)cc1OC ZINC000028535427 556335207 /nfs/dbraw/zinc/33/52/07/556335207.db2.gz ISZLTYXKTFWSJU-UHFFFAOYSA-N 0 0 483.446 5.200 40 0 JKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539336 556335651 /nfs/dbraw/zinc/33/56/51/556335651.db2.gz NPTLJNVPNFKDDY-UHFFFAOYSA-N 0 0 470.359 7.523 40 0 JKABRN COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000028605521 556336045 /nfs/dbraw/zinc/33/60/45/556336045.db2.gz DGDAQXKPOLDXES-XDHOZWIPSA-N 0 0 493.357 5.591 40 0 JKABRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000028606402 556336268 /nfs/dbraw/zinc/33/62/68/556336268.db2.gz SBRGNFHJHBULDT-UHFFFAOYSA-N 0 0 489.910 5.732 40 0 JKABRN c1csc(-c2csc3nc(CN4CCOCC4)nc(OCCCc4ccccc4)c23)c1 ZINC000028617005 556337180 /nfs/dbraw/zinc/33/71/80/556337180.db2.gz VHTAWTFPCHFZTM-UHFFFAOYSA-N 0 0 451.617 5.264 40 0 JKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028627826 556337513 /nfs/dbraw/zinc/33/75/13/556337513.db2.gz QBMATBVSVDEOIR-LOMXXSEWSA-N 0 0 487.080 7.021 40 0 JKABRN O=C1C2[C@H](c3ccccc3)N3CN([C@@H](c4ccccc4)C1[C@H]3c1ccccc1)[C@@H]2c1ccccc1 ZINC000019320503 556341447 /nfs/dbraw/zinc/34/14/47/556341447.db2.gz RCVDZIWSDINDPY-KIASHNPRSA-N 0 0 456.589 6.355 40 0 JKABRN COc1ccc(OC)c(C2N(Cc3ccccc3N(C)C)CCCN2Cc2ccccc2N(C)C)c1 ZINC000019326507 556341813 /nfs/dbraw/zinc/34/18/13/556341813.db2.gz HEHDBXAFHFQYOT-UHFFFAOYSA-N 0 0 488.676 5.243 40 0 JKABRN COc1ccc2cc(CN(Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000019445975 556348643 /nfs/dbraw/zinc/34/86/43/556348643.db2.gz MBDUXQUNTFFCDU-VWLOTQADSA-N 0 0 490.608 5.021 40 0 JKABRN O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000029518725 556353076 /nfs/dbraw/zinc/35/30/76/556353076.db2.gz QGAWPRUJYPTXES-UHFFFAOYSA-N 0 0 461.924 5.764 40 0 JKABRN CCOc1cccc(CNc2cccc(-c3nc4ccccc4o3)c2)c1OCc1ccccc1Cl ZINC000019593940 556356069 /nfs/dbraw/zinc/35/60/69/556356069.db2.gz BSQKWPHUXCDPMX-UHFFFAOYSA-N 0 0 484.983 7.738 40 0 JKABRN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCN(CCNC(=O)Nc1ccccc1)C(=O)Nc1ccccc1)C2 ZINC000029748818 556356489 /nfs/dbraw/zinc/35/64/89/556356489.db2.gz AXZICIMCOMXMTE-FFCVWOAGSA-N 0 0 478.637 5.574 40 0 JKABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2C(F)(F)F)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000019597064 556356611 /nfs/dbraw/zinc/35/66/11/556356611.db2.gz WLRMSZZCBIFYMC-UHFFFAOYSA-N 0 0 453.501 5.624 40 0 JKABRN Cc1cc(-c2ccc(NC(=S)Nc3ccccc3)c(C)c2)ccc1NC(=S)Nc1ccccc1 ZINC000019690504 556360169 /nfs/dbraw/zinc/36/01/69/556360169.db2.gz QHDTZALPLMQLME-UHFFFAOYSA-N 0 0 482.678 7.588 40 0 JKABRN COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000019690520 556360338 /nfs/dbraw/zinc/36/03/38/556360338.db2.gz ZYZJTOCYASWZLZ-UHFFFAOYSA-N 0 0 484.166 6.813 40 0 JKABRN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)C(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000013134045 556361328 /nfs/dbraw/zinc/36/13/28/556361328.db2.gz VKVKMUNLOJTFBN-IWLLQYOYSA-N 0 0 488.028 5.600 40 0 JKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000030751304 556371272 /nfs/dbraw/zinc/37/12/72/556371272.db2.gz OFSGMSBUWQFQNM-KRWDZBQOSA-N 0 0 472.994 5.670 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3cccc(C)c3)cc2Cl)cc1 ZINC000030752146 556371544 /nfs/dbraw/zinc/37/15/44/556371544.db2.gz ZRGJRDPFBHVGEB-UHFFFAOYSA-N 0 0 456.995 5.120 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCOCC4)cc3)c2)cc1 ZINC000030755203 556372821 /nfs/dbraw/zinc/37/28/21/556372821.db2.gz NACZHNKOGMZUAF-UHFFFAOYSA-N 0 0 457.574 5.325 40 0 JKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030755761 556373158 /nfs/dbraw/zinc/37/31/58/556373158.db2.gz WVEDUHCOHBGKEZ-FQEVSTJZSA-N 0 0 458.602 6.766 40 0 JKABRN Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c2ccccc2)cc1 ZINC000030756955 556373475 /nfs/dbraw/zinc/37/34/75/556373475.db2.gz ODIYTQCIJJMVRA-LJAQVGFWSA-N 0 0 498.648 6.240 40 0 JKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000030756720 556373575 /nfs/dbraw/zinc/37/35/75/556373575.db2.gz MPGSNTWEIOFERE-QFIPXVFZSA-N 0 0 489.062 6.267 40 0 JKABRN CC[C@H](NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000030757565 556373839 /nfs/dbraw/zinc/37/38/39/556373839.db2.gz RTTJGTNTETYAOV-NLFFAJNJSA-N 0 0 466.603 5.209 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000030847790 556376153 /nfs/dbraw/zinc/37/61/53/556376153.db2.gz BPUDCXWIFXXICY-UHFFFAOYSA-N 0 0 483.804 5.686 40 0 JKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030848639 556376600 /nfs/dbraw/zinc/37/66/00/556376600.db2.gz QKKGFLKKFDOQFF-HHHXNRCGSA-N 0 0 465.593 7.164 40 0 JKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000030850354 556377227 /nfs/dbraw/zinc/37/72/27/556377227.db2.gz OSHZPXXTTCQGTH-FQEVSTJZSA-N 0 0 488.609 6.170 40 0 JKABRN CC(C)C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000030850509 556377262 /nfs/dbraw/zinc/37/72/62/556377262.db2.gz RGGWNSJFPZTBMW-LBNVMWSVSA-N 0 0 458.627 5.978 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000030850605 556377345 /nfs/dbraw/zinc/37/73/45/556377345.db2.gz VVXMQPKXBVRUIV-UHFFFAOYSA-N 0 0 487.419 5.800 40 0 JKABRN CC(C)C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000030850499 556377353 /nfs/dbraw/zinc/37/73/53/556377353.db2.gz RGGWNSJFPZTBMW-LSYYVWMOSA-N 0 0 458.627 5.978 40 0 JKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000030850358 556377357 /nfs/dbraw/zinc/37/73/57/556377357.db2.gz OSHZPXXTTCQGTH-HXUWFJFHSA-N 0 0 488.609 6.170 40 0 JKABRN O=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000030851888 556377920 /nfs/dbraw/zinc/37/79/20/556377920.db2.gz SGVGKESDIRRGQA-UHFFFAOYSA-N 0 0 469.006 5.236 40 0 JKABRN Cc1cc(I)ccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000030853022 556378579 /nfs/dbraw/zinc/37/85/79/556378579.db2.gz NOEZWRSVWHXDGQ-UHFFFAOYSA-N 0 0 489.378 6.023 40 0 JKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000019801992 556378775 /nfs/dbraw/zinc/37/87/75/556378775.db2.gz UVZUFUGNHDDLRQ-VMTHCRRCSA-N 0 0 490.772 9.253 40 0 biogenic,in-vitro JKABRN Cc1ccc(CSCCNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000030854303 556379377 /nfs/dbraw/zinc/37/93/77/556379377.db2.gz BJNIUUDNGVPHPK-UHFFFAOYSA-N 0 0 475.035 5.112 40 0 JKABRN O=C(Nc1ccc(Br)cc1F)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030854400 556379392 /nfs/dbraw/zinc/37/93/92/556379392.db2.gz YXZGJNPNNAFVFG-UHFFFAOYSA-N 0 0 483.746 5.295 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Cl ZINC000030855356 556379751 /nfs/dbraw/zinc/37/97/51/556379751.db2.gz JAHQAYPJKGSEGR-RUZDIDTESA-N 0 0 495.000 5.543 40 0 JKABRN Cc1cc(C)cc(Cc2cnc(NC(=O)C3=Cc4cc(Br)ccc4OC=C3)s2)c1 ZINC000019809894 556380540 /nfs/dbraw/zinc/38/05/40/556380540.db2.gz AIOVDBNVMBTPIP-UHFFFAOYSA-N 0 0 467.388 6.041 40 0 JKABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000030857604 556380599 /nfs/dbraw/zinc/38/05/99/556380599.db2.gz KBLWPVUHDCUFEQ-UHFFFAOYSA-N 0 0 478.595 5.380 40 0 JKABRN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3ccc(C(C)C)cc3)s1)=C2 ZINC000019809930 556380616 /nfs/dbraw/zinc/38/06/16/556380616.db2.gz BBGJJNUOLJROFR-UHFFFAOYSA-N 0 0 466.990 6.448 40 0 JKABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccc(OC)cc1 ZINC000030863373 556382540 /nfs/dbraw/zinc/38/25/40/556382540.db2.gz OWGSHNDBBSKEQI-QFIPXVFZSA-N 0 0 458.967 5.031 40 0 JKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000030865635 556383154 /nfs/dbraw/zinc/38/31/54/556383154.db2.gz YHTSJTGYWYJREU-OAHLLOKOSA-N 0 0 477.007 5.269 40 0 JKABRN CC(C)C[C@@H](NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000030866939 556383468 /nfs/dbraw/zinc/38/34/68/556383468.db2.gz XITCAVSCVDIVQX-RUZDIDTESA-N 0 0 497.636 5.156 40 0 JKABRN Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000019817080 556383529 /nfs/dbraw/zinc/38/35/29/556383529.db2.gz OBAYSMZBHYFRCX-UHFFFAOYSA-N 0 0 455.905 5.798 40 0 JKABRN Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000030868036 556383744 /nfs/dbraw/zinc/38/37/44/556383744.db2.gz HVGHZMVWDNLCOX-UHFFFAOYSA-N 0 0 452.601 5.215 40 0 JKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030869186 556384517 /nfs/dbraw/zinc/38/45/17/556384517.db2.gz AAXXALPZJKBDCD-FOIQADDNSA-N 0 0 487.449 5.060 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 ZINC000030869683 556384793 /nfs/dbraw/zinc/38/47/93/556384793.db2.gz LLNKJUHLRQUYLJ-UHFFFAOYSA-N 0 0 456.995 6.133 40 0 JKABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000030870770 556385208 /nfs/dbraw/zinc/38/52/08/556385208.db2.gz NLGIBLKUQPTGAR-UHFFFAOYSA-N 0 0 477.007 5.189 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1Cl ZINC000019818300 556385461 /nfs/dbraw/zinc/38/54/61/556385461.db2.gz PHBDJWAMZLLSLG-NHCUHLMSSA-N 0 0 474.388 5.505 40 0 JKABRN O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030937895 556388463 /nfs/dbraw/zinc/38/84/63/556388463.db2.gz YDTCUPSZFFMRLF-IBGZPJMESA-N 0 0 471.453 6.995 40 0 JKABRN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030941363 556388508 /nfs/dbraw/zinc/38/85/08/556388508.db2.gz KZLBLZFSKFJHEG-IBGZPJMESA-N 0 0 455.385 6.636 40 0 JKABRN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030941375 556388709 /nfs/dbraw/zinc/38/87/09/556388709.db2.gz IEUAWBNESPYTRB-SFHVURJKSA-N 0 0 455.385 6.636 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 ZINC000019820134 556388808 /nfs/dbraw/zinc/38/88/08/556388808.db2.gz IHZMFACMOARGNC-DNQXCXABSA-N 0 0 471.582 5.074 40 0 JKABRN CCCOc1ccc([C@@H]2[C@H](C(=O)OCC)C(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019820242 556389071 /nfs/dbraw/zinc/38/90/71/556389071.db2.gz VLCIPUDJIONMFA-IZZNHLLZSA-N 0 0 483.568 5.141 40 0 JKABRN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030944182 556389143 /nfs/dbraw/zinc/38/91/43/556389143.db2.gz CBSQYLDQBRHOTN-OAQYLSRUSA-N 0 0 453.413 6.111 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030943351 556389184 /nfs/dbraw/zinc/38/91/84/556389184.db2.gz IQRHMAFXLAJRJE-GOSISDBHSA-N 0 0 463.405 5.801 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 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c1ccc2ncc(CN3CCC[C@H]3c3nc(-c4ccc(OC5CCCCC5)nc4)no3)cc2c1 ZINC000035425496 560080298 /nfs/dbraw/zinc/08/02/98/560080298.db2.gz DPFSYEQYZIYPIH-DEOSSOPVSA-N 0 0 455.562 5.728 40 0 biogenic,in-vitro JKABRN COc1cccc(C(=O)NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1 ZINC000008625223 562948378 /nfs/dbraw/zinc/94/83/78/562948378.db2.gz UMYMJNNMFSFUHV-UHFFFAOYSA-N 0 0 459.571 5.312 40 0 aggregator JKABRN COc1ccccc1OC[C@H](COC(=O)Nc1ccc(C)cc1)OC(=O)Nc1ccc(C)cc1 ZINC000008653210 562948605 /nfs/dbraw/zinc/94/86/05/562948605.db2.gz OMGPDNGMOPJEIW-JOCHJYFZSA-N 0 0 464.518 5.557 40 0 JKABRN CC(=O)c1cccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000008656587 562948661 /nfs/dbraw/zinc/94/86/61/562948661.db2.gz WENWAVDCRYQOAT-DEOSSOPVSA-N 0 0 461.587 5.183 40 0 JKABRN CC(C)(C[NH+]1CCCCC1)C(=O)C[C@@H](SCCS(=O)(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000008665081 562948741 /nfs/dbraw/zinc/94/87/41/562948741.db2.gz CCUSHBCCOCSMDD-GOSISDBHSA-N 0 0 482.495 5.127 40 0 JKABRN 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ZINC000008680617 562951051 /nfs/dbraw/zinc/95/10/51/562951051.db2.gz DHMLVPJKLCKZOH-SANMLTNESA-N 0 0 479.646 5.251 40 0 JKABRN Cc1cccc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)n2-c2ccccc2)c1 ZINC000008685833 562952588 /nfs/dbraw/zinc/95/25/88/562952588.db2.gz UIRVYMONYPSMHY-UHFFFAOYSA-N 0 0 454.555 5.289 40 0 JKABRN Cc1ccc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)n2-c2ccccc2)cc1 ZINC000008685799 562952611 /nfs/dbraw/zinc/95/26/11/562952611.db2.gz ZYMSSKLBQQHYAJ-UHFFFAOYSA-N 0 0 454.555 5.289 40 0 JKABRN O=C(Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1)c1ccccc1 ZINC000008686289 562952719 /nfs/dbraw/zinc/95/27/19/562952719.db2.gz GENZZNXYGGKUHV-UHFFFAOYSA-N 0 0 456.354 6.588 40 0 aggregator JKABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008686469 562952797 /nfs/dbraw/zinc/95/27/97/562952797.db2.gz LHOGNGVYBQEXRM-XMMPIXPASA-N 0 0 478.614 5.126 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000008687016 562953187 /nfs/dbraw/zinc/95/31/87/562953187.db2.gz LSALDRWPGGIHGB-HHHXNRCGSA-N 0 0 490.625 5.204 40 0 JKABRN COc1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC ZINC000033954104 563111292 /nfs/dbraw/zinc/11/12/92/563111292.db2.gz CELDOXOGIZIYPY-ONEGZZNKSA-N 0 0 464.556 5.402 40 0 in-man JKABRN CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000035570512 563120184 /nfs/dbraw/zinc/12/01/84/563120184.db2.gz UKKGRXNQLZCZEJ-PFIOHWBWSA-N 0 0 484.765 7.712 40 0 JKABRN CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000035570508 563120208 /nfs/dbraw/zinc/12/02/08/563120208.db2.gz UKKGRXNQLZCZEJ-WQMJSYKYSA-N 0 0 484.765 7.712 40 0 JKABRN C[C@@H]1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1c(=O)/c(=C/c3ccc(Cl)cc3)sc1=N2 ZINC000038316153 563133782 /nfs/dbraw/zinc/13/37/82/563133782.db2.gz GABSYHKVFPHDHM-YQNAQZMXSA-N 0 0 455.410 5.342 40 0 JKABRN COc1ccc(/C=C2\SC(=O)N=C2N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC000054201172 569589472 /nfs/dbraw/zinc/58/94/72/569589472.db2.gz RYICRLLKYBWYPP-GENIAPEFSA-N 0 0 469.566 6.161 40 0 JKABRN CCSc1nnc2c(n1)O[C@@H](c1ccc3c(c1)c1ccccc1n3CC)Nc1ccccc1-2 ZINC000054363839 569590335 /nfs/dbraw/zinc/59/03/35/569590335.db2.gz UIZPJHWWXXDKHD-DEOSSOPVSA-N 0 0 453.571 6.282 40 0 JKABRN CCn1cc(Cl)c(C(=O)N2N=C3/C(=C/c4cccs4)C[C@@H](C)C[C@H]3[C@@H]2c2cccs2)n1 ZINC000008455415 569591707 /nfs/dbraw/zinc/59/17/07/569591707.db2.gz XEKLZCIREFFVCS-CLVZIYIASA-N 0 0 471.051 6.362 40 0 JKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@]5(C[C@]4(C)[C@@H]3CC[C@]12C)Nc1ccccc1S5 ZINC000008615749 569592281 /nfs/dbraw/zinc/59/22/81/569592281.db2.gz MNGCIVGVBXHUSG-OVKZYWNMSA-N 0 0 479.818 9.632 40 0 JKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4Cc5[nH]c6ccccc6c5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000008615752 569592287 /nfs/dbraw/zinc/59/22/87/569592287.db2.gz UJPMSSIEJPGKGY-FIGIOYGKSA-N 0 0 459.762 9.204 40 0 JKABRN O=C(c1ccccc1)C1C(/C=C/c2ccccc2)C(C(=O)c2ccccc2)C1/C=C\c1ccccc1 ZINC000008628018 569592349 /nfs/dbraw/zinc/59/23/49/569592349.db2.gz LGQBEAZGINLCLF-MMUCEYJRSA-N 0 0 468.596 7.657 40 0 JKABRN Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl ZINC000008645210 569592430 /nfs/dbraw/zinc/59/24/30/569592430.db2.gz MBJKTEINDXNJPA-UHFFFAOYSA-N 0 0 463.177 5.003 40 0 JKABRN O=S(=O)(c1ccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)cc1)N1CCCCC1 ZINC000008642243 569592435 /nfs/dbraw/zinc/59/24/35/569592435.db2.gz XIVLCVNSKQADTH-RUZDIDTESA-N 0 0 479.671 5.132 40 0 JKABRN COc1cc2ccnc([C@H](OC(=O)c3ccccc3)c3ccc(OC)c(OC)c3OC)c2cc1OC ZINC000008652985 569592526 /nfs/dbraw/zinc/59/25/26/569592526.db2.gz XEEHTFAGYISFAM-RUZDIDTESA-N 0 0 489.524 5.224 40 0 JKABRN CC(C)=C[C@H]1c2c(c3ccccc3n(C)c2=O)O[C@H]2c3c(c4ccccc4n(C)c3=O)OC(C)(C)[C@H]12 ZINC000008659484 569592562 /nfs/dbraw/zinc/59/25/62/569592562.db2.gz LBLJNMFGSWDKRO-MATUZCBOSA-N 0 0 482.580 5.361 40 0 JKABRN COc1c(C)c(C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)c(OC)c(OC)c1OC ZINC000008665907 569592641 /nfs/dbraw/zinc/59/26/41/569592641.db2.gz XCLJKAVPZDYTBX-POYJOBOISA-N 0 0 484.721 8.718 40 0 JKABRN C[C@@]12CC[C@@H]3c4cc(C=O)c(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OCc1ccccc1 ZINC000008665532 569592648 /nfs/dbraw/zinc/59/26/48/569592648.db2.gz OGJQIOIIMVVCNI-JWTZWPHNSA-N 0 0 480.648 7.520 40 0 JKABRN c1ccc(COC[C@@H]2OC(c3ccccc3)=C[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000008665348 569592702 /nfs/dbraw/zinc/59/27/02/569592702.db2.gz HIGGIZGZNWCSID-CEUYOYMZSA-N 0 0 492.615 6.814 40 0 JKABRN CC(=C\C=C/C(C)=C\C(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2)/C=C\C1=C(C)CCCC1(C)C ZINC000008667554 569592824 /nfs/dbraw/zinc/59/28/24/569592824.db2.gz CQVUCZWJJURYFZ-KIYDGGMCSA-N 0 0 471.685 8.731 40 0 JKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cc(Br)ccc1Cl ZINC000057279581 569595465 /nfs/dbraw/zinc/59/54/65/569595465.db2.gz RIDGLGBUOYYRCB-UHFFFAOYSA-N 0 0 478.198 7.285 40 0 JKABRN CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccco2)[C@H](C(=O)Nc2c(C)cccc2C)c2ccccc2)C1(C)C ZINC000008712213 569596035 /nfs/dbraw/zinc/59/60/35/569596035.db2.gz CJMSQKBBXOLEDE-NSVAZKTRSA-N 0 0 484.640 6.843 40 0 JKABRN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C(=O)OCC)c1C ZINC000057313060 569596477 /nfs/dbraw/zinc/59/64/77/569596477.db2.gz IJCJMZYZSUDNOH-WYMLVPIESA-N 0 0 453.516 5.322 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)cc2s1 ZINC000057313175 569596487 /nfs/dbraw/zinc/59/64/87/569596487.db2.gz ZWTUVWRUOCWUDL-UHFFFAOYSA-N 0 0 453.608 6.129 40 0 JKABRN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)cc2s1 ZINC000057313239 569596561 /nfs/dbraw/zinc/59/65/61/569596561.db2.gz VBRFFDKYHKZHJB-UHFFFAOYSA-N 0 0 469.522 5.671 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2cccc3c(Cl)cccc23)c1Cl ZINC000057313236 569596576 /nfs/dbraw/zinc/59/65/76/569596576.db2.gz SLVZWQMRVUBXND-UHFFFAOYSA-N 0 0 471.409 7.142 40 0 JKABRN Cc1cc(I)ccc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000057313305 569596598 /nfs/dbraw/zinc/59/65/98/569596598.db2.gz MUPKXORCRLGDQF-UHFFFAOYSA-N 0 0 474.136 5.158 40 0 JKABRN Cc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1 ZINC000057313245 569596607 /nfs/dbraw/zinc/59/66/07/569596607.db2.gz WJYZMNAZJIZZOR-UHFFFAOYSA-N 0 0 479.378 5.596 40 0 JKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 ZINC000057313440 569596610 /nfs/dbraw/zinc/59/66/10/569596610.db2.gz BZSNGXQOKQZLBJ-GXDHUFHOSA-N 0 0 454.913 7.369 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000057313335 569596623 /nfs/dbraw/zinc/59/66/23/569596623.db2.gz BEULFFJTRYQKCW-UHFFFAOYSA-N 0 0 496.224 6.131 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000057313551 569596666 /nfs/dbraw/zinc/59/66/66/569596666.db2.gz IWHXCRNUZDFMMF-SDNWHVSQSA-N 0 0 499.979 6.935 40 0 JKABRN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2s1 ZINC000057313530 569596689 /nfs/dbraw/zinc/59/66/89/569596689.db2.gz CBJPDAGZTZDEIV-UHFFFAOYSA-N 0 0 460.342 6.464 40 0 JKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)ccc3o2)c1 ZINC000057314157 569596974 /nfs/dbraw/zinc/59/69/74/569596974.db2.gz QWJJGLSGWJPNFU-UHFFFAOYSA-N 0 0 459.556 5.243 40 0 JKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000057315583 569597117 /nfs/dbraw/zinc/59/71/17/569597117.db2.gz FCZDSUWVSBWBCJ-UHFFFAOYSA-N 0 0 497.422 7.895 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c(OC)c1 ZINC000057315653 569597129 /nfs/dbraw/zinc/59/71/29/569597129.db2.gz ONLZQFYHIFKLGM-UHFFFAOYSA-N 0 0 479.583 5.116 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=S)NC(=O)c2cccc3ccccc32)c1Cl ZINC000057315666 569597130 /nfs/dbraw/zinc/59/71/30/569597130.db2.gz RURAPACXYFGEJA-UHFFFAOYSA-N 0 0 496.057 6.363 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000057315730 569597233 /nfs/dbraw/zinc/59/72/33/569597233.db2.gz ZBXQYIUMKSYUOC-FBMGVBCBSA-N 0 0 467.550 5.725 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)n2)cc1 ZINC000057315744 569597244 /nfs/dbraw/zinc/59/72/44/569597244.db2.gz JATKFFXTACUCFP-WYMLVPIESA-N 0 0 461.568 5.605 40 0 JKABRN Cc1cccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)ccc3o2)c1 ZINC000057315735 569597265 /nfs/dbraw/zinc/59/72/65/569597265.db2.gz YZYWLVDNVGAFKE-UHFFFAOYSA-N 0 0 465.347 6.362 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccccc2Br)c1Cl ZINC000057315749 569597267 /nfs/dbraw/zinc/59/72/67/569597267.db2.gz SKJCZJNRBPLUPB-UHFFFAOYSA-N 0 0 465.800 6.098 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000057315705 569597274 /nfs/dbraw/zinc/59/72/74/569597274.db2.gz ZGKBEQRMLOGGGO-JLHYYAGUSA-N 0 0 485.531 6.092 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000057315727 569597280 /nfs/dbraw/zinc/59/72/80/569597280.db2.gz OBGSZOAMLKFKCE-UHFFFAOYSA-N 0 0 450.336 5.789 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000057315937 569597302 /nfs/dbraw/zinc/59/73/02/569597302.db2.gz YFVLDXUCGPQRIN-UHFFFAOYSA-N 0 0 485.765 6.707 40 0 JKABRN Cc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)cc(C)c1I ZINC000057315994 569597309 /nfs/dbraw/zinc/59/73/09/569597309.db2.gz SVDGAMHUCNXABA-UHFFFAOYSA-N 0 0 457.311 5.739 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=S)NC(=O)Cc2ccccc2)c1Cl ZINC000057315917 569597324 /nfs/dbraw/zinc/59/73/24/569597324.db2.gz RNAPJKZTJNATHW-UHFFFAOYSA-N 0 0 460.024 5.139 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2nsnc2c1 ZINC000057315951 569597346 /nfs/dbraw/zinc/59/73/46/569597346.db2.gz MHRHZUAJWBSEQM-UHFFFAOYSA-N 0 0 481.562 5.780 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=S)NC(=O)c2cccs2)c1Cl ZINC000057315971 569597359 /nfs/dbraw/zinc/59/73/59/569597359.db2.gz QEIJEKLRWBOQJS-UHFFFAOYSA-N 0 0 452.026 5.271 40 0 JKABRN Cc1cccc(C(=O)Nc2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2)c1 ZINC000057316027 569597368 /nfs/dbraw/zinc/59/73/68/569597368.db2.gz BVQHWTCZVBDHKY-UHFFFAOYSA-N 0 0 467.363 5.806 40 0 JKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc1Cl ZINC000057316088 569597427 /nfs/dbraw/zinc/59/74/27/569597427.db2.gz PUEMAUYSTWLNJR-SDNWHVSQSA-N 0 0 454.913 7.369 40 0 JKABRN Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3n2)cc1Cl ZINC000057316170 569597438 /nfs/dbraw/zinc/59/74/38/569597438.db2.gz BBUDURJDTJOCCQ-UHFFFAOYSA-N 0 0 477.008 6.476 40 0 JKABRN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc5nsnc5c4)c3C)oc2c(C)c1 ZINC000057316094 569597443 /nfs/dbraw/zinc/59/74/43/569597443.db2.gz MNJMPZVJYWWQBE-UHFFFAOYSA-N 0 0 473.583 5.552 40 0 JKABRN CCCCc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000057316073 569597509 /nfs/dbraw/zinc/59/75/09/569597509.db2.gz MUQZEUIKLNTSHH-UHFFFAOYSA-N 0 0 484.644 6.857 40 0 JKABRN Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)cc(C)c1I ZINC000057316042 569597512 /nfs/dbraw/zinc/59/75/12/569597512.db2.gz HEQOFCXGJZRWJU-UHFFFAOYSA-N 0 0 450.103 5.232 40 0 JKABRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2s1 ZINC000057316041 569597520 /nfs/dbraw/zinc/59/75/20/569597520.db2.gz OECPBTYXNDSPHK-UHFFFAOYSA-N 0 0 499.017 5.993 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000057316037 569597521 /nfs/dbraw/zinc/59/75/21/569597521.db2.gz RPRDKKHMRHMLCO-SDNWHVSQSA-N 0 0 467.978 5.865 40 0 JKABRN O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc(Br)c1 ZINC000057316269 569597559 /nfs/dbraw/zinc/59/75/59/569597559.db2.gz MDVPFKOYVXGAOE-UHFFFAOYSA-N 0 0 494.208 5.276 40 0 JKABRN O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1cc(Cl)ccc1Cl ZINC000057316252 569597565 /nfs/dbraw/zinc/59/75/65/569597565.db2.gz IUQUGVLCVYVJFO-UHFFFAOYSA-N 0 0 484.202 5.820 40 0 JKABRN CC(C)Oc1cccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000057316377 569597661 /nfs/dbraw/zinc/59/76/61/569597661.db2.gz ABFOLJDANGRNHA-UHFFFAOYSA-N 0 0 473.392 5.301 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000057316365 569597685 /nfs/dbraw/zinc/59/76/85/569597685.db2.gz DWZAEHKGAJLMHX-UHFFFAOYSA-N 0 0 473.392 5.302 40 0 JKABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)c3)nn12 ZINC000057316459 569597876 /nfs/dbraw/zinc/59/78/76/569597876.db2.gz ZDUATXSOZKXXGQ-UHFFFAOYSA-N 0 0 498.637 5.060 40 0 JKABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)c3)nn12 ZINC000057316603 569598018 /nfs/dbraw/zinc/59/80/18/569598018.db2.gz FTIYYKQWLNAJKS-UHFFFAOYSA-N 0 0 493.017 5.349 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Br)cccc34)cc2)CC1 ZINC000057316827 569598112 /nfs/dbraw/zinc/59/81/12/569598112.db2.gz AZMGFYMELLBONG-UHFFFAOYSA-N 0 0 494.433 5.549 40 0 JKABRN O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)C(F)(F)F ZINC000057316739 569598118 /nfs/dbraw/zinc/59/81/18/569598118.db2.gz KAJSPGYVPBPLFM-UHFFFAOYSA-N 0 0 480.103 5.989 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000057316862 569598123 /nfs/dbraw/zinc/59/81/23/569598123.db2.gz VCQXCLUTMOCJNG-UHFFFAOYSA-N 0 0 477.649 5.447 40 0 JKABRN CCc1nnc2sc(-c3cccc(NC(=O)c4sc5cc(Cl)ccc5c4Cl)c3)nn12 ZINC000057316980 569598219 /nfs/dbraw/zinc/59/82/19/569598219.db2.gz UJUAOWPTRTXRHK-UHFFFAOYSA-N 0 0 474.398 6.189 40 0 JKABRN CCc1nnc2sc(-c3cccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)c3)nn12 ZINC000057316960 569598223 /nfs/dbraw/zinc/59/82/23/569598223.db2.gz SBLATBAGECLOLL-LLVKDONJSA-N 0 0 462.362 5.128 40 0 JKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000057317006 569598229 /nfs/dbraw/zinc/59/82/29/569598229.db2.gz VBHKMOSMEHLVAL-UHFFFAOYSA-N 0 0 491.168 7.206 40 0 JKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cc(Br)ccc1Cl ZINC000057317052 569598235 /nfs/dbraw/zinc/59/82/35/569598235.db2.gz AEJFIQFCFRUMSW-UHFFFAOYSA-N 0 0 469.560 6.055 40 0 JKABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)c3)nn12 ZINC000057316979 569598238 /nfs/dbraw/zinc/59/82/38/569598238.db2.gz NMODTJBOLVQVFT-UHFFFAOYSA-N 0 0 484.368 6.234 40 0 JKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(OCc2ccccc2)cc1 ZINC000057317039 569598255 /nfs/dbraw/zinc/59/82/55/569598255.db2.gz AKTZLXCYYZTNBH-UHFFFAOYSA-N 0 0 462.343 6.218 40 0 JKABRN CCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Br ZINC000057317036 569598256 /nfs/dbraw/zinc/59/82/56/569598256.db2.gz UEZYGUNHHNFXAT-UHFFFAOYSA-N 0 0 479.168 5.800 40 0 JKABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5cc6ccccc6oc5=O)cc4)c3)nn12 ZINC000057316971 569598265 /nfs/dbraw/zinc/59/82/65/569598265.db2.gz RTZNQOMSFLWABR-UHFFFAOYSA-N 0 0 493.548 5.441 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317063 569598336 /nfs/dbraw/zinc/59/83/36/569598336.db2.gz BLSRSTVWQXNPCK-LBPRGKRZSA-N 0 0 469.162 6.100 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000057317141 569598379 /nfs/dbraw/zinc/59/83/79/569598379.db2.gz YXUQSYOSMRFPOA-RUDMXATFSA-N 0 0 490.431 5.349 40 0 JKABRN COc1c(Cl)cc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1Cl ZINC000057317288 569598532 /nfs/dbraw/zinc/59/85/32/569598532.db2.gz LEPCEYCTRPBUCJ-UHFFFAOYSA-N 0 0 471.665 5.174 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057328204 569598840 /nfs/dbraw/zinc/59/88/40/569598840.db2.gz SPYFCRWUOYREMI-UHFFFAOYSA-N 0 0 487.368 5.010 40 0 JKABRN O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000057333489 569598862 /nfs/dbraw/zinc/59/88/62/569598862.db2.gz IVSVJMMUKXPQJO-UHFFFAOYSA-N 0 0 464.308 6.387 40 0 JKABRN COc1ccc2oc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)c3)nc2c1 ZINC000057335561 569599006 /nfs/dbraw/zinc/59/90/06/569599006.db2.gz ALYVNNPENKBYHF-UHFFFAOYSA-N 0 0 481.346 6.062 40 0 JKABRN CCc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1 ZINC000057335594 569599031 /nfs/dbraw/zinc/59/90/31/569599031.db2.gz XDRCJDGLRJJRAH-UHFFFAOYSA-N 0 0 479.378 5.542 40 0 JKABRN CCN1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2Cl)CC1 ZINC000057335667 569599118 /nfs/dbraw/zinc/59/91/18/569599118.db2.gz QCBUNLKMANWPNH-UHFFFAOYSA-N 0 0 480.834 5.041 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000057351116 569599146 /nfs/dbraw/zinc/59/91/46/569599146.db2.gz GHDCRYBIEXWLOR-SAPNQHFASA-N 0 0 450.498 5.731 40 0 JKABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)nn12 ZINC000059294186 569602444 /nfs/dbraw/zinc/60/24/44/569602444.db2.gz WEPBDYULARLQFX-UHFFFAOYSA-N 0 0 479.521 5.187 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1Cl ZINC000059294100 569602469 /nfs/dbraw/zinc/60/24/69/569602469.db2.gz OEVYEJXGHSOYBA-FYWRMAATSA-N 0 0 479.001 6.995 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc21 ZINC000059294158 569602486 /nfs/dbraw/zinc/60/24/86/569602486.db2.gz FDXMJUZZWBXQJP-UHFFFAOYSA-N 0 0 465.402 6.062 40 0 JKABRN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2s1 ZINC000059294435 569602494 /nfs/dbraw/zinc/60/24/94/569602494.db2.gz SOGDHHLOTNMHBG-UHFFFAOYSA-N 0 0 470.348 5.920 40 0 JKABRN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(OC)c1 ZINC000059294352 569602524 /nfs/dbraw/zinc/60/25/24/569602524.db2.gz VIPVBWLPAIJRDW-UHFFFAOYSA-N 0 0 491.613 5.380 40 0 JKABRN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000059294311 569602526 /nfs/dbraw/zinc/60/25/26/569602526.db2.gz JZESDHOUWYPNBH-UHFFFAOYSA-N 0 0 492.369 6.327 40 0 JKABRN COc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3)nc2c1 ZINC000059294519 569602584 /nfs/dbraw/zinc/60/25/84/569602584.db2.gz MTNAWGBQMTUCIA-DTQAZKPQSA-N 0 0 495.560 6.290 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5nsnc5c4)cc3)nc2c1 ZINC000059294530 569602599 /nfs/dbraw/zinc/60/25/99/569602599.db2.gz OENUTUXKMOQMAW-CQSZACIVSA-N 0 0 487.610 6.140 40 0 JKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=S)NC(=O)c2ccccc2F)c1Cl ZINC000059294478 569602629 /nfs/dbraw/zinc/60/26/29/569602629.db2.gz NCWDAYBZXGEUDH-UHFFFAOYSA-N 0 0 463.987 5.349 40 0 JKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)c3)nc2c1 ZINC000059294496 569602635 /nfs/dbraw/zinc/60/26/35/569602635.db2.gz XAEPSISKELJXLN-UHFFFAOYSA-N 0 0 456.586 7.205 40 0 JKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000059294489 569602636 /nfs/dbraw/zinc/60/26/36/569602636.db2.gz LKVUHUPAQMYRHL-UHFFFAOYSA-N 0 0 485.565 5.546 40 0 JKABRN Cc1cc(C)c(NC(=O)CSc2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)c(C)c1 ZINC000059417638 569602768 /nfs/dbraw/zinc/60/27/68/569602768.db2.gz LMFIJISHWZNXED-UHFFFAOYSA-N 0 0 489.688 5.127 40 0 JKABRN O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1)Nc1nccs1 ZINC000059417654 569602968 /nfs/dbraw/zinc/60/29/68/569602968.db2.gz YXTQXPHLPABMRV-UHFFFAOYSA-N 0 0 495.438 6.043 40 0 JKABRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000059418232 569603096 /nfs/dbraw/zinc/60/30/96/569603096.db2.gz FONUSXVENHMMTD-UDWIEESQSA-N 0 0 488.348 6.671 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000059418199 569603104 /nfs/dbraw/zinc/60/31/04/569603104.db2.gz LEMCNPFCTNDYLW-OEAKJJBVSA-N 0 0 483.948 6.698 40 0 JKABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418715 569603470 /nfs/dbraw/zinc/60/34/70/569603470.db2.gz PGZZSDSOCFHPOC-YQORSWRPSA-N 0 0 454.740 5.741 40 0 JKABRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Br)c1)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000059418729 569603491 /nfs/dbraw/zinc/60/34/91/569603491.db2.gz ZZUKYHUZOJKSIT-CAZKKTPXSA-N 0 0 464.746 5.196 40 0 JKABRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Br)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418731 569603508 /nfs/dbraw/zinc/60/35/08/569603508.db2.gz FODVPOQWJNVUQD-YQORSWRPSA-N 0 0 464.746 5.196 40 0 JKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000059422256 569603518 /nfs/dbraw/zinc/60/35/18/569603518.db2.gz VWQWTFHSEDLXTR-UHFFFAOYSA-N 0 0 472.994 5.554 40 0 JKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000059433419 569603757 /nfs/dbraw/zinc/60/37/57/569603757.db2.gz FPXNLDSZEASPEI-ZQFKLAOWSA-N 0 0 458.355 5.410 40 0 JKABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000059435651 569603865 /nfs/dbraw/zinc/60/38/65/569603865.db2.gz FAWJCAZZJPAMJO-UHFFFAOYSA-N 0 0 483.804 5.476 40 0 JKABRN COc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000059436913 569603886 /nfs/dbraw/zinc/60/38/86/569603886.db2.gz GWNFDDSYBXOJHN-UHFFFAOYSA-N 0 0 484.427 5.254 40 0 JKABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000059444076 569603910 /nfs/dbraw/zinc/60/39/10/569603910.db2.gz KDJUJCWSSZZZLD-UHFFFAOYSA-N 0 0 482.911 5.188 40 0 JKABRN Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000059444111 569604012 /nfs/dbraw/zinc/60/40/12/569604012.db2.gz UJZXIMHWJJIXTE-UHFFFAOYSA-N 0 0 477.413 5.174 40 0 JKABRN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc(C(C)C)cc4)sc3c2)c1 ZINC000059459207 569604071 /nfs/dbraw/zinc/60/40/71/569604071.db2.gz JPEYWAIMKAOLPU-UHFFFAOYSA-N 0 0 475.639 6.711 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4c(C)cc(C)cc4C)sc3c2)cc1 ZINC000059459164 569604111 /nfs/dbraw/zinc/60/41/11/569604111.db2.gz JQCIQGOEDLQLAS-UHFFFAOYSA-N 0 0 475.639 6.513 40 0 JKABRN Cc1ccccc1NC(=S)NC[C@]1(C)C[C@@H](NC(=S)Nc2ccccc2C)CC(C)(C)C1 ZINC000059461420 569604232 /nfs/dbraw/zinc/60/42/32/569604232.db2.gz ZOZPNNFMJYPOLN-RXFWQSSRSA-N 0 0 468.736 6.161 40 0 JKABRN 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CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214553 569700092 /nfs/dbraw/zinc/70/00/92/569700092.db2.gz BXPDUEBYZXRWHG-QFIPXVFZSA-N 0 0 453.583 5.953 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215108 569700145 /nfs/dbraw/zinc/70/01/45/569700145.db2.gz WLYSYNQHLRVSOP-UGKGYDQZSA-N 0 0 453.583 6.095 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C(=O)OC(C)(C)C)C(C)C)nc2)cc1 ZINC000072214868 569700154 /nfs/dbraw/zinc/70/01/54/569700154.db2.gz RNQCILWIWRDENV-NRFANRHFSA-N 0 0 459.612 5.066 40 0 JKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214888 569700167 /nfs/dbraw/zinc/70/01/67/569700167.db2.gz VVUKUCPYZDYJBT-QFIPXVFZSA-N 0 0 453.583 6.095 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072215131 569700169 /nfs/dbraw/zinc/70/01/69/569700169.db2.gz QTNZALPHFGRRKU-KNQAVFIVSA-N 0 0 473.639 5.456 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C(=O)OC(C)(C)C)C(C)C)nc2)cc1 ZINC000072214896 569700178 /nfs/dbraw/zinc/70/01/78/569700178.db2.gz HVOCPXBDOJIXSP-JOCHJYFZSA-N 0 0 473.639 5.456 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N(C(=O)OC(C)(C)C)C(C)C)cc1 ZINC000072214928 569700202 /nfs/dbraw/zinc/70/02/02/569700202.db2.gz JHGBWKQOKPEOEA-NRFANRHFSA-N 0 0 459.612 5.066 40 0 JKABRN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072214837 569700204 /nfs/dbraw/zinc/70/02/04/569700204.db2.gz CCVFQJJPZCQGQN-OAQYLSRUSA-N 0 0 459.612 5.067 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072215219 569700206 /nfs/dbraw/zinc/70/02/06/569700206.db2.gz STBLLXQWUSPYDG-KNQAVFIVSA-N 0 0 453.583 6.095 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N(C(=O)OC(C)(C)C)C2CCC2)cc1 ZINC000072215512 569700286 /nfs/dbraw/zinc/70/02/86/569700286.db2.gz RHYOZXSCGYUMGQ-QFIPXVFZSA-N 0 0 471.623 5.210 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072215283 569700291 /nfs/dbraw/zinc/70/02/91/569700291.db2.gz SEKWYZCTOVIYQE-NFBKMPQASA-N 0 0 467.610 6.485 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000072215421 569700318 /nfs/dbraw/zinc/70/03/18/569700318.db2.gz ZPUVORQPUIMVPL-QFIPXVFZSA-N 0 0 471.623 5.210 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1)C1CCCC1 ZINC000072215593 569700328 /nfs/dbraw/zinc/70/03/28/569700328.db2.gz BLAYYOOIWNNOGH-XMMPIXPASA-N 0 0 479.621 6.630 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1)C1CCC1 ZINC000072215438 569700334 /nfs/dbraw/zinc/70/03/34/569700334.db2.gz CVKXVTHUENWKDH-JOCHJYFZSA-N 0 0 451.567 5.849 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C(=O)OC(C)(C)C)c3ccccc3)nc2)cc1 ZINC000072215812 569700359 /nfs/dbraw/zinc/70/03/59/569700359.db2.gz TZCCRKCGBYCDSQ-DEOSSOPVSA-N 0 0 493.629 5.989 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N(C(=O)OC(C)(C)C)C2CCCCC2)cc1 ZINC000072215752 569700381 /nfs/dbraw/zinc/70/03/81/569700381.db2.gz YJRWFAVLHCEMCA-DEOSSOPVSA-N 0 0 499.677 5.990 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215798 569700393 /nfs/dbraw/zinc/70/03/93/569700393.db2.gz GLXLEZCFFSRVNI-XMMPIXPASA-N 0 0 473.573 6.629 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N(C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000072215871 569700399 /nfs/dbraw/zinc/70/03/99/569700399.db2.gz MJNJZHBFCAIDLS-XMMPIXPASA-N 0 0 493.629 5.989 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215770 569700410 /nfs/dbraw/zinc/70/04/10/569700410.db2.gz LYMQLOLFHSZZLY-OAQYLSRUSA-N 0 0 459.631 6.618 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215833 569700414 /nfs/dbraw/zinc/70/04/14/569700414.db2.gz DJCXNGLAEJZMSZ-RUZDIDTESA-N 0 0 487.600 7.019 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N(C(=O)OC(C)(C)C)C2CCCC2)cc1 ZINC000072215660 569700434 /nfs/dbraw/zinc/70/04/34/569700434.db2.gz HYFFWFRYFDFJNI-XMMPIXPASA-N 0 0 499.677 5.990 40 0 JKABRN CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215902 569700480 /nfs/dbraw/zinc/70/04/80/569700480.db2.gz KIHMSJDULABOOC-UHFFFAOYSA-N 0 0 469.582 6.033 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cc(Br)ccc1Cl ZINC000072229876 569700618 /nfs/dbraw/zinc/70/06/18/569700618.db2.gz ZXYGIIZVJDWPLM-LJQANCHMSA-N 0 0 451.147 6.090 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cc(I)ccc1Cl ZINC000072229877 569700654 /nfs/dbraw/zinc/70/06/54/569700654.db2.gz OCCUQTCKNXUXRF-IBGZPJMESA-N 0 0 498.147 5.932 40 0 JKABRN COc1c(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc2ccccc2c1Br ZINC000072229894 569700709 /nfs/dbraw/zinc/70/07/09/569700709.db2.gz FUEKVNFTYCPBLT-QHCPKHFHSA-N 0 0 496.788 6.598 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc(OCC)c1OCC ZINC000072230020 569700758 /nfs/dbraw/zinc/70/07/58/569700758.db2.gz XRPFBKKRSBLBBS-DEOSSOPVSA-N 0 0 469.965 5.870 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1sc2cc(Cl)ccc2c1Cl ZINC000072229903 569700765 /nfs/dbraw/zinc/70/07/65/569700765.db2.gz INIAFXUPVCAZLW-FQEVSTJZSA-N 0 0 462.785 7.196 40 0 JKABRN Cc1cc(C)n(-c2nc3c(ccc(Cl)c3N3CCN(C(=O)c4ccc(C(C)C)cc4)CC3)s2)n1 ZINC000072230149 569700846 /nfs/dbraw/zinc/70/08/46/569700846.db2.gz GPTJACYYSCPRNZ-UHFFFAOYSA-N 0 0 494.064 5.838 40 0 JKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072230080 569700860 /nfs/dbraw/zinc/70/08/60/569700860.db2.gz AUPOGJGKHCAVCJ-NRFANRHFSA-N 0 0 474.782 5.980 40 0 JKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072233870 569700966 /nfs/dbraw/zinc/70/09/66/569700966.db2.gz QBMATBVSVDEOIR-DKWFOLPISA-N 0 0 487.080 7.021 40 0 JKABRN O=c1[nH]c2c(cc1CNc1ccc(OC(F)(F)F)cc1)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000035533970 569701348 /nfs/dbraw/zinc/70/13/48/569701348.db2.gz RBMOTIWTTKPJFO-UHFFFAOYSA-N 0 0 494.448 6.031 40 0 JKABRN C/C(=C\CC[C@H](C)OC(=O)Nc1ccccc1)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C ZINC000072324094 569702125 /nfs/dbraw/zinc/70/21/25/569702125.db2.gz YELQRGZMVJTXOF-FHBOODQBSA-N 0 0 451.695 8.929 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000035544187 569702410 /nfs/dbraw/zinc/70/24/10/569702410.db2.gz LASUFLCSZNEZQW-LDQXTDLNSA-N 0 0 478.511 6.005 40 0 JKABRN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C ZINC000035544427 569702411 /nfs/dbraw/zinc/70/24/11/569702411.db2.gz JQTUDHGRHRNGGP-HOIFWPIMSA-N 0 0 464.993 5.961 40 0 JKABRN CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000072332805 569703042 /nfs/dbraw/zinc/70/30/42/569703042.db2.gz BVJDDPRBYGBPKD-FUJPJQPKSA-N 0 0 456.711 6.764 40 0 JKABRN Cc1cc(-c2cnc(SCC(=O)c3ccc(-c4ccccc4)cc3)nc2-c2cccs2)on1 ZINC000072338729 569703456 /nfs/dbraw/zinc/70/34/56/569703456.db2.gz DOJQXFMVPMJSIU-UHFFFAOYSA-N 0 0 469.591 6.811 40 0 JKABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4ccc5c(c4)c4ccccc4n5C)C3)cc2n1 ZINC000072341333 569703492 /nfs/dbraw/zinc/70/34/92/569703492.db2.gz SLKAYMFIXPFDJI-KRWDZBQOSA-N 0 0 477.490 5.331 40 0 JKABRN CC(C)(C)OC(=O)N[C@@H]1CCc2nc(-c3ccncc3)nc(Nc3ccc(C(F)(F)F)cc3)c2C1 ZINC000072341336 569703554 /nfs/dbraw/zinc/70/35/54/569703554.db2.gz MWWQHYVJBQWCTA-GOSISDBHSA-N 0 0 485.510 5.683 40 0 JKABRN O=C(C1CCC1)N1CCC(O)(Cn2nc(-c3cccnc3)c3cc(Nc4ccc(F)cc4)ccc32)CC1 ZINC000072397247 569703621 /nfs/dbraw/zinc/70/36/21/569703621.db2.gz XAUSUPGLGVRRLP-UHFFFAOYSA-N 0 0 499.590 5.135 40 0 JKABRN CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)[C@]2(c3ccccc3)C(=O)[C@H](C)CN12 ZINC000073273379 569704380 /nfs/dbraw/zinc/70/43/80/569704380.db2.gz FAKMIAZIJZGHPT-PBUKZNKTSA-N 0 0 467.612 7.459 40 0 JKABRN CCc1cc(C[NH+]2CC(C(=O)[O-])C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000073277269 569704437 /nfs/dbraw/zinc/70/44/37/569704437.db2.gz DWVJASHDNJMDNH-UHFFFAOYSA-N 0 0 461.543 5.336 40 0 in-vitro JKABRN Cc1c2oc(-c3cc(Br)ccc3Cl)nc2c(Br)c(N)c1Br ZINC000073639527 569704481 /nfs/dbraw/zinc/70/44/81/569704481.db2.gz SMQKBJWVDPWFIP-UHFFFAOYSA-N 0 0 495.396 6.326 40 0 JKABRN Cc1c2oc(-c3ccc(Br)cc3)nc2c(Br)c(N)c1Br ZINC000073639517 569704483 /nfs/dbraw/zinc/70/44/83/569704483.db2.gz JRMVEXOQJUEGMT-UHFFFAOYSA-N 0 0 460.951 5.673 40 0 JKABRN Clc1cc(Br)ccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 ZINC000073638121 569704485 /nfs/dbraw/zinc/70/44/85/569704485.db2.gz HANFJHGSUPASSJ-UHFFFAOYSA-N 0 0 463.556 7.340 40 0 JKABRN Nc1c(Br)cc2nc(-c3cc(Br)ccc3Cl)oc2c1Br ZINC000073640085 569704511 /nfs/dbraw/zinc/70/45/11/569704511.db2.gz ALVVMFWLFFWZFV-UHFFFAOYSA-N 0 0 481.369 6.018 40 0 JKABRN CCc1c2oc(-c3ccc(Cl)c(Cl)c3)nc2c(Br)c(N)c1Br ZINC000073642748 569704730 /nfs/dbraw/zinc/70/47/30/569704730.db2.gz HOXUDWMIMFCANF-UHFFFAOYSA-N 0 0 464.972 6.471 40 0 JKABRN CCc1c2oc(-c3ccc(-c4ccccc4)cc3)nc2c(Br)c(N)c1Br ZINC000073642770 569704736 /nfs/dbraw/zinc/70/47/36/569704736.db2.gz DUZODJKBLXJBEG-UHFFFAOYSA-N 0 0 472.180 6.831 40 0 JKABRN O=[S@](c1ccccc1)c1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 ZINC000077292574 569705583 /nfs/dbraw/zinc/70/55/83/569705583.db2.gz RQFZUKGPRWEUHC-DLLPINGYSA-N 0 0 471.409 6.315 40 0 in-vitro JKABRN CCS[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000077292287 569705634 /nfs/dbraw/zinc/70/56/34/569705634.db2.gz JDBLGLZAAWCNMD-JSQVPHPLSA-N 0 0 492.637 5.749 40 0 in-vitro JKABRN O=C(CSc1nc2ccccc2n1C(=O)NCC(Cl)(Cl)Cl)Nc1ccc(Cl)cc1 ZINC000035622806 569705656 /nfs/dbraw/zinc/70/56/56/569705656.db2.gz APMCOPHPWBWAST-UHFFFAOYSA-N 0 0 492.215 5.348 40 0 JKABRN CCOc1cc(C=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000035657441 569706140 /nfs/dbraw/zinc/70/61/40/569706140.db2.gz ITGSUMWDXGVEMF-UHFFFAOYSA-N 0 0 451.087 5.388 40 0 JKABRN CSc1ccc([C@H]2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079191872 569707115 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5.607 40 0 JKABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101132387 569784004 /nfs/dbraw/zinc/78/40/04/569784004.db2.gz PCHRNFDRVIKOHO-FSSWDIPSSA-N 0 0 453.325 5.353 40 0 JKABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C(C)(C)C)cc4)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000101138654 569784316 /nfs/dbraw/zinc/78/43/16/569784316.db2.gz VFGVPJFOWZWFSG-ZNZIZOMTSA-N 0 0 454.570 5.652 40 0 JKABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Cl)cc3Cl)C2=O)cc1C ZINC000101160637 569785134 /nfs/dbraw/zinc/78/51/34/569785134.db2.gz WQTMRVXPDUQCJJ-ZLNRFVROSA-N 0 0 467.352 5.661 40 0 JKABRN Cc1c(OCc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)ccc2ccccc21 ZINC000101189167 569786374 /nfs/dbraw/zinc/78/63/74/569786374.db2.gz ZUXCVZSTQKSNLY-UHFFFAOYSA-N 0 0 452.967 5.240 40 0 JKABRN CCOc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(OC(F)(F)F)cc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000101187940 569786433 /nfs/dbraw/zinc/78/64/33/569786433.db2.gz CICFCRFDQMHNBT-VJBWXMMDSA-N 0 0 498.457 5.035 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@@H]3C2=O)cc1 ZINC000101187452 569786455 /nfs/dbraw/zinc/78/64/55/569786455.db2.gz MBIOULGFXPJTOP-GVAUOCQISA-N 0 0 474.582 5.248 40 0 JKABRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000101189124 569786479 /nfs/dbraw/zinc/78/64/79/569786479.db2.gz FBUPGYQAIFZYHK-UHFFFAOYSA-N 0 0 452.942 5.381 40 0 JKABRN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N[C@H](C)c4ccccc4)c(Cl)c3N2)cc1 ZINC000101192861 569786738 /nfs/dbraw/zinc/78/67/38/569786738.db2.gz YCBPAYVZVHKZLK-OLMNPRSZSA-N 0 0 462.903 5.996 40 0 JKABRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000101200694 569786945 /nfs/dbraw/zinc/78/69/45/569786945.db2.gz CPVCJMVMLUVMEX-ZRBLBEILSA-N 0 0 498.457 5.035 40 0 JKABRN CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000101209203 569787215 /nfs/dbraw/zinc/78/72/15/569787215.db2.gz BYYACWXRFUORFR-UHFFFAOYSA-N 0 0 497.617 5.323 40 0 JKABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1 ZINC000101220419 569787293 /nfs/dbraw/zinc/78/72/93/569787293.db2.gz CMEDXUQINCEJCE-QKDODKLFSA-N 0 0 464.496 5.544 40 0 JKABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4c(F)cccc4Cl)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000101236662 569787758 /nfs/dbraw/zinc/78/77/58/569787758.db2.gz PINIHTSUYLLQKH-VJBWXMMDSA-N 0 0 450.897 5.147 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000101248353 569788050 /nfs/dbraw/zinc/78/80/50/569788050.db2.gz HVEBVCCBSCCNLB-SMIHKQSGSA-N 0 0 496.485 5.545 40 0 JKABRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc(C(F)(F)F)c4)[C@@H]3C2=O)cc1 ZINC000101252832 569788167 /nfs/dbraw/zinc/78/81/67/569788167.db2.gz DLMAWDOBBYYXGS-ZRBLBEILSA-N 0 0 482.458 5.155 40 0 JKABRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)CC1 ZINC000101332404 569793496 /nfs/dbraw/zinc/79/34/96/569793496.db2.gz YEPSWLXLNROCGM-GASCZTMLSA-N 0 0 475.969 5.172 40 0 JKABRN Cc1cc2oc(=O)c3c(c2cc1OC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)CCCC3 ZINC000101331968 569793523 /nfs/dbraw/zinc/79/35/23/569793523.db2.gz RINSIIGSFWCSTA-HDICACEKSA-N 0 0 469.578 5.217 40 0 JKABRN Cc1c(C)c(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)c(Cl)cc12 ZINC000101344896 569793865 /nfs/dbraw/zinc/79/38/65/569793865.db2.gz FOWKDSRPABLVDA-PUZFROQSSA-N 0 0 497.975 5.701 40 0 JKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)c(Cl)c4)C3=O)c[nH]c21 ZINC000038166303 569799711 /nfs/dbraw/zinc/79/97/11/569799711.db2.gz VORXALYPDNORSB-OCKHKDLRSA-N 0 0 469.950 5.067 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c(C)c3)nnc2-c2ccccc2O)c(C)c1 ZINC000038166436 569799740 /nfs/dbraw/zinc/79/97/40/569799740.db2.gz GLBXUXHRQPLPMQ-UHFFFAOYSA-N 0 0 479.005 5.949 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccccc2O)c(C)c1 ZINC000038172280 569799745 /nfs/dbraw/zinc/79/97/45/569799745.db2.gz OSDCUNKPAZVAKL-UHFFFAOYSA-N 0 0 479.005 5.949 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nnc2-c2ccccc2O)c(C)c1 ZINC000038173231 569799924 /nfs/dbraw/zinc/79/99/24/569799924.db2.gz VTDQJCBXOKZAOL-UHFFFAOYSA-N 0 0 488.657 5.434 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2ccccc2O)c(C)c1 ZINC000038173572 569799948 /nfs/dbraw/zinc/79/99/48/569799948.db2.gz LMKADCBWWZGYBG-UHFFFAOYSA-N 0 0 472.614 6.111 40 0 JKABRN COc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OC(=O)c1cccc(Cl)c1 ZINC000038203164 569800809 /nfs/dbraw/zinc/80/08/09/569800809.db2.gz SMIMMZILWDZVGZ-JMIUGGIZSA-N 0 0 482.319 5.874 40 0 JKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000038753609 569806493 /nfs/dbraw/zinc/80/64/93/569806493.db2.gz OUDMADIKTJGMFT-FQEVSTJZSA-N 0 0 452.576 5.127 40 0 JKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000038753607 569806541 /nfs/dbraw/zinc/80/65/41/569806541.db2.gz OUDMADIKTJGMFT-HXUWFJFHSA-N 0 0 452.576 5.127 40 0 JKABRN COc1cc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c(OC)cc1Cl ZINC000038754034 569806641 /nfs/dbraw/zinc/80/66/41/569806641.db2.gz KQQGSIQMEDOAPO-UHFFFAOYSA-N 0 0 481.357 5.064 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000038754364 569806821 /nfs/dbraw/zinc/80/68/21/569806821.db2.gz YYRJKLOFBDTTHH-UZTOHYMASA-N 0 0 479.045 6.222 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000038754368 569806852 /nfs/dbraw/zinc/80/68/52/569806852.db2.gz YYRJKLOFBDTTHH-PPHZAIPVSA-N 0 0 479.045 6.222 40 0 JKABRN CCSc1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000038754874 569806897 /nfs/dbraw/zinc/80/68/97/569806897.db2.gz PCGYRQAUWILODB-UHFFFAOYSA-N 0 0 489.062 5.903 40 0 JKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000038754567 569806905 /nfs/dbraw/zinc/80/69/05/569806905.db2.gz GXUYWICEBKXJGO-FQEVSTJZSA-N 0 0 451.566 6.774 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)ccc2C)cc1 ZINC000038755318 569807030 /nfs/dbraw/zinc/80/70/30/569807030.db2.gz AJOBJCQBAMWNPD-MUUNZHRXSA-N 0 0 484.621 5.932 40 0 JKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000038755408 569807058 /nfs/dbraw/zinc/80/70/58/569807058.db2.gz IPFOIODCSXYZOW-UHFFFAOYSA-N 0 0 452.601 5.016 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)cc1 ZINC000038755183 569807068 /nfs/dbraw/zinc/80/70/68/569807068.db2.gz IWLUYMJEPWSCKF-LJQANCHMSA-N 0 0 452.576 5.325 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000038755936 569807096 /nfs/dbraw/zinc/80/70/96/569807096.db2.gz QBBKZIDNCYWSMS-UHFFFAOYSA-N 0 0 465.358 5.364 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(I)cc3)c2)cc1 ZINC000038755603 569807135 /nfs/dbraw/zinc/80/71/35/569807135.db2.gz LCMDOKWWCLXSTF-UHFFFAOYSA-N 0 0 498.364 6.093 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000038756509 569807290 /nfs/dbraw/zinc/80/72/90/569807290.db2.gz RPTIRKCORLKVMD-FQEVSTJZSA-N 0 0 471.022 5.338 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3F)c(Cl)c2)cc1 ZINC000038756151 569807304 /nfs/dbraw/zinc/80/73/04/569807304.db2.gz NSWTYPYYEMJRIW-UHFFFAOYSA-N 0 0 497.773 5.603 40 0 JKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000038756973 569807386 /nfs/dbraw/zinc/80/73/86/569807386.db2.gz SWHGTHCKLCRNJY-XMMPIXPASA-N 0 0 478.545 5.576 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)c1 ZINC000038771287 569807492 /nfs/dbraw/zinc/80/74/92/569807492.db2.gz ZANUVBHEDWLIIJ-RUZDIDTESA-N 0 0 464.631 5.930 40 0 JKABRN CCOc1cccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000038771611 569807544 /nfs/dbraw/zinc/80/75/44/569807544.db2.gz SUHSZHNMMCVWGL-AREMUKBSSA-N 0 0 481.017 5.443 40 0 JKABRN CCOc1cccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000038771612 569807563 /nfs/dbraw/zinc/80/75/63/569807563.db2.gz SUHSZHNMMCVWGL-SANMLTNESA-N 0 0 481.017 5.443 40 0 JKABRN 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/nfs/dbraw/zinc/88/73/48/569887348.db2.gz HDOLYWTXPPUWJB-SANMLTNESA-N 0 0 463.021 5.295 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc(Br)cc1 ZINC000222630526 569887374 /nfs/dbraw/zinc/88/73/74/569887374.db2.gz NOFJODNQWKAVRS-KRWDZBQOSA-N 0 0 477.468 5.014 40 0 JKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3Br)o2)S1 ZINC000222633144 569887396 /nfs/dbraw/zinc/88/73/96/569887396.db2.gz LPGZSQZZXOFPPQ-KNMUDHKVSA-N 0 0 458.356 5.833 40 0 JKABRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)c(Br)c1 ZINC000222632673 569887403 /nfs/dbraw/zinc/88/74/03/569887403.db2.gz QCKCIPWOIGMRCH-LVXYXVKQSA-N 0 0 454.393 6.002 40 0 JKABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000222654805 569887777 /nfs/dbraw/zinc/88/77/77/569887777.db2.gz GRAOVDHVOZUTLQ-AREMUKBSSA-N 0 0 497.466 5.948 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000222657647 569887811 /nfs/dbraw/zinc/88/78/11/569887811.db2.gz GLGIRTXUISLHFB-QFIPXVFZSA-N 0 0 481.489 5.867 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 ZINC000222658585 569887881 /nfs/dbraw/zinc/88/78/81/569887881.db2.gz PYTRMUKGDJYXEE-OAQYLSRUSA-N 0 0 467.462 5.808 40 0 JKABRN CCOc1c(Br)cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC ZINC000222658348 569887883 /nfs/dbraw/zinc/88/78/83/569887883.db2.gz BPRMVLIEEKPIBW-ZMYBRWDISA-N 0 0 462.413 5.231 40 0 JKABRN CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Br)c1OC ZINC000222662527 569888002 /nfs/dbraw/zinc/88/80/02/569888002.db2.gz RUVFSRKXUBWRSG-CCKFTAQKSA-N 0 0 462.413 5.231 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222669297 569888077 /nfs/dbraw/zinc/88/80/77/569888077.db2.gz JFKMBCYKBBFBKL-MHZLTWQESA-N 0 0 493.047 5.440 40 0 JKABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000222669816 569888107 /nfs/dbraw/zinc/88/81/07/569888107.db2.gz CNDAMONRQWEOHQ-SANMLTNESA-N 0 0 497.010 5.270 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222671359 569888132 /nfs/dbraw/zinc/88/81/32/569888132.db2.gz XNTZRQUWIJTVJZ-MRXNPFEDSA-N 0 0 467.462 5.559 40 0 JKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000222670928 569888151 /nfs/dbraw/zinc/88/81/51/569888151.db2.gz ZGZWHKNKYRWAOR-UHFFFAOYSA-N 0 0 466.430 7.297 40 0 JKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222674529 569888196 /nfs/dbraw/zinc/88/81/96/569888196.db2.gz CXQGCDPRZPSRDQ-MRXNPFEDSA-N 0 0 498.410 5.050 40 0 JKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(O)c(Cl)c3Br)N21 ZINC000222673513 569888233 /nfs/dbraw/zinc/88/82/33/569888233.db2.gz CFWKEYLMPKPARW-FDOKIQAASA-N 0 0 468.804 5.191 40 0 JKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222679191 569888307 /nfs/dbraw/zinc/88/83/07/569888307.db2.gz KSUWQFTZVOLZHD-AWEZNQCLSA-N 0 0 473.853 5.682 40 0 JKABRN Cc1ccccc1CN(C(=O)CSCc1c(F)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C ZINC000222679219 569888341 /nfs/dbraw/zinc/88/83/41/569888341.db2.gz OCIHEMHRJHQZCX-QGZVFWFLSA-N 0 0 465.034 5.353 40 0 JKABRN Cc1ccccc1CN(C(=O)CSCc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222679004 569888360 /nfs/dbraw/zinc/88/83/60/569888360.db2.gz CEIVDJQKUVVUJW-SFHVURJKSA-N 0 0 491.495 5.323 40 0 JKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222685427 569888465 /nfs/dbraw/zinc/88/84/65/569888465.db2.gz DGZKPZVLMUTLCB-INIZCTEOSA-N 0 0 453.435 5.007 40 0 JKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1Cl ZINC000222685594 569888475 /nfs/dbraw/zinc/88/84/75/569888475.db2.gz LLCMAALMZFZDLS-ZDUSSCGKSA-N 0 0 459.826 5.043 40 0 JKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222685847 569888489 /nfs/dbraw/zinc/88/84/89/569888489.db2.gz XSAZGQCXDGAIHM-CYBMUJFWSA-N 0 0 459.826 5.043 40 0 JKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000222685692 569888505 /nfs/dbraw/zinc/88/85/05/569888505.db2.gz JMQKFNXMVRFCGW-CYBMUJFWSA-N 0 0 459.826 5.043 40 0 JKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000222687311 569888526 /nfs/dbraw/zinc/88/85/26/569888526.db2.gz VFTDDRWVKJMZLH-GFCCVEGCSA-N 0 0 477.816 5.182 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222686974 569888535 /nfs/dbraw/zinc/88/85/35/569888535.db2.gz DPUXPFVHTMOHPQ-XMMPIXPASA-N 0 0 491.503 6.556 40 0 JKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)cc(Br)c3OC)N21 ZINC000222688729 569888617 /nfs/dbraw/zinc/88/86/17/569888617.db2.gz HIJZZNUBRUWUKJ-CSMYWGQOSA-N 0 0 452.805 5.486 40 0 JKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3Sc3ccc(Cl)cc3)N21 ZINC000222689885 569888618 /nfs/dbraw/zinc/88/86/18/569888618.db2.gz WIIIESKIPIYIID-MQNAVGNWSA-N 0 0 452.048 6.866 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000222692835 569888727 /nfs/dbraw/zinc/88/87/27/569888727.db2.gz GAFKCCCEWNVQNH-HSZRJFAPSA-N 0 0 479.448 5.828 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C ZINC000222693641 569888745 /nfs/dbraw/zinc/88/87/45/569888745.db2.gz GCNGBYZOPDQLOP-HSZRJFAPSA-N 0 0 485.411 5.067 40 0 JKABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](CC)C(=O)NC(C)C)cc1 ZINC000222692699 569888751 /nfs/dbraw/zinc/88/87/51/569888751.db2.gz STJACYAZVUUZHN-JOCHJYFZSA-N 0 0 465.421 5.267 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl ZINC000222692084 569888758 /nfs/dbraw/zinc/88/87/58/569888758.db2.gz HXAKKRUXIAZWLQ-QHCPKHFHSA-N 0 0 499.836 5.031 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000222697071 569888770 /nfs/dbraw/zinc/88/87/70/569888770.db2.gz NMTVYCYKQDVITP-XMMPIXPASA-N 0 0 469.412 5.312 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 ZINC000222694535 569888821 /nfs/dbraw/zinc/88/88/21/569888821.db2.gz PFOKAVLDDDGBNP-QHCPKHFHSA-N 0 0 487.452 5.472 40 0 JKABRN Cc1ccccc1CN(C(=O)COc1cc(C)c(Br)c(C)c1)[C@H](C)C(=O)NC(C)(C)C ZINC000222699648 569888908 /nfs/dbraw/zinc/88/89/08/569888908.db2.gz MGXRLAHSWNIZLM-LJQANCHMSA-N 0 0 489.454 5.085 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C)cc1C ZINC000222702720 569889008 /nfs/dbraw/zinc/88/90/08/569889008.db2.gz FUDIECDUSCFDAY-OAQYLSRUSA-N 0 0 465.421 5.321 40 0 JKABRN Cc1ccccc1CN(C(=O)CCCN1c2cccc3cccc(c23)C1=O)[C@H](C)C(=O)NC(C)(C)C ZINC000222704889 569889086 /nfs/dbraw/zinc/88/90/86/569889086.db2.gz PCMRXANTYVCZBN-OAQYLSRUSA-N 0 0 485.628 5.221 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1 ZINC000222706277 569889149 /nfs/dbraw/zinc/88/91/49/569889149.db2.gz UBSRMNUWVSYKOL-OAQYLSRUSA-N 0 0 467.462 5.559 40 0 JKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(Br)c3)N21 ZINC000222707140 569889172 /nfs/dbraw/zinc/88/91/72/569889172.db2.gz YHYCIEJFNGMAJJ-MAODMQOUSA-N 0 0 453.409 5.614 40 0 JKABRN Cc1ccccc1CN(C(=O)CCCSc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222708226 569889216 /nfs/dbraw/zinc/88/92/16/569889216.db2.gz BVTIOUJXCIWVAN-IBGZPJMESA-N 0 0 461.071 5.853 40 0 JKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C)cc4Br)o3)N21 ZINC000222714582 569889315 /nfs/dbraw/zinc/88/93/15/569889315.db2.gz XEAGIPWMOVEFQB-KBJGYGKASA-N 0 0 468.420 6.392 40 0 JKABRN Cc1ccc(SCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222713674 569889318 /nfs/dbraw/zinc/88/93/18/569889318.db2.gz SKJCXEUWNDNGON-MHZLTWQESA-N 0 0 492.660 5.639 40 0 JKABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000222716032 569889390 /nfs/dbraw/zinc/88/93/90/569889390.db2.gz YTHYWSTUGUJBCZ-HHHXNRCGSA-N 0 0 460.593 5.171 40 0 JKABRN Cc1cccc(CN(C(=O)CSCc2c(F)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222716130 569889399 /nfs/dbraw/zinc/88/93/99/569889399.db2.gz ADMRVBPDUXVDPF-QGZVFWFLSA-N 0 0 465.034 5.353 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000222723812 569889555 /nfs/dbraw/zinc/88/95/55/569889555.db2.gz LZPJOFHJBCGTTL-HSZRJFAPSA-N 0 0 489.830 5.575 40 0 JKABRN C[C@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000222724952 569889605 /nfs/dbraw/zinc/88/96/05/569889605.db2.gz WMNNZTUWWASEAD-GOSISDBHSA-N 0 0 471.384 5.106 40 0 JKABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1Cl ZINC000222732865 569889794 /nfs/dbraw/zinc/88/97/94/569889794.db2.gz MPJRXMLMVYYDSI-ZDUSSCGKSA-N 0 0 459.826 5.043 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC)cc1 ZINC000222733480 569889827 /nfs/dbraw/zinc/88/98/27/569889827.db2.gz HFTGTMFDDGHHCS-SANMLTNESA-N 0 0 497.466 5.875 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222737011 569889886 /nfs/dbraw/zinc/88/98/86/569889886.db2.gz XCZRRYIEPBTKGY-QHCPKHFHSA-N 0 0 495.447 5.493 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1C ZINC000222737542 569889946 /nfs/dbraw/zinc/88/99/46/569889946.db2.gz LDNUCMLDKCFCDU-MUUNZHRXSA-N 0 0 490.619 5.234 40 0 JKABRN Cc1cccc(CN(C(=O)CC(c2ccccc2)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 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CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 ZINC000222923220 569894458 /nfs/dbraw/zinc/89/44/58/569894458.db2.gz JQMNYGFCFVHCGG-NRFANRHFSA-N 0 0 492.641 5.037 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000222922465 569894487 /nfs/dbraw/zinc/89/44/87/569894487.db2.gz BHUCMPVOIIYTBR-INIZCTEOSA-N 0 0 495.845 5.158 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000222925261 569894508 /nfs/dbraw/zinc/89/45/08/569894508.db2.gz UVLHGVHDSUAVNN-LJQANCHMSA-N 0 0 483.033 5.292 40 0 JKABRN C[C@@H](NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000222924071 569894509 /nfs/dbraw/zinc/89/45/09/569894509.db2.gz QQWVXDUIJNOLKI-LJQANCHMSA-N 0 0 497.060 5.676 40 0 JKABRN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222924123 569894538 /nfs/dbraw/zinc/89/45/38/569894538.db2.gz DFIMUFNUTYGGJK-KRWDZBQOSA-N 0 0 473.375 5.409 40 0 JKABRN C[C@@H](NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222925117 569894554 /nfs/dbraw/zinc/89/45/54/569894554.db2.gz GQZYKTXJZDSBBY-NHCUHLMSSA-N 0 0 492.641 5.390 40 0 JKABRN C[C@H](NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000222926459 569894607 /nfs/dbraw/zinc/89/46/07/569894607.db2.gz DQLKQFONJITAQX-FQEVSTJZSA-N 0 0 462.615 5.023 40 0 JKABRN Cc1ccc(CN(c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)S(C)(=O)=O)cc1 ZINC000222927033 569894626 /nfs/dbraw/zinc/89/46/26/569894626.db2.gz UNVWHCSOHVXGNX-NRFANRHFSA-N 0 0 476.642 5.331 40 0 JKABRN C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222928275 569894630 /nfs/dbraw/zinc/89/46/30/569894630.db2.gz RIFZTHZDAKMDBA-KRWDZBQOSA-N 0 0 489.374 5.245 40 0 JKABRN Cc1ccccc1CN(c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1)S(C)(=O)=O ZINC000222927819 569894635 /nfs/dbraw/zinc/89/46/35/569894635.db2.gz MKJXZJUQZJWGJZ-NRFANRHFSA-N 0 0 476.642 5.331 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222929632 569894700 /nfs/dbraw/zinc/89/47/00/569894700.db2.gz SKNBFMWZUFYWGB-INIZCTEOSA-N 0 0 499.866 6.138 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222932677 569894716 /nfs/dbraw/zinc/89/47/16/569894716.db2.gz YTFRDIMLZUYDBP-KRWDZBQOSA-N 0 0 493.475 6.002 40 0 JKABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222933611 569894796 /nfs/dbraw/zinc/89/47/96/569894796.db2.gz OPNOXCZXIHVFHB-GOSISDBHSA-N 0 0 479.448 5.629 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1 ZINC000222933041 569894809 /nfs/dbraw/zinc/89/48/09/569894809.db2.gz OJLMTJBXGNLQKY-FQEVSTJZSA-N 0 0 462.615 5.474 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1 ZINC000222933791 569894811 /nfs/dbraw/zinc/89/48/11/569894811.db2.gz HWIMEAUMFIADTO-NRFANRHFSA-N 0 0 476.642 5.782 40 0 JKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222933404 569894820 /nfs/dbraw/zinc/89/48/20/569894820.db2.gz WFMUZMBKDFYTAM-KRWDZBQOSA-N 0 0 479.448 5.828 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2C)c1C ZINC000222933321 569894834 /nfs/dbraw/zinc/89/48/34/569894834.db2.gz HWIXTFLFKPWBBK-NRFANRHFSA-N 0 0 476.642 5.782 40 0 JKABRN COc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000222936145 569894902 /nfs/dbraw/zinc/89/49/02/569894902.db2.gz DPXJXXUEJFZVCS-MRXNPFEDSA-N 0 0 495.447 5.275 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl ZINC000222938204 569894946 /nfs/dbraw/zinc/89/49/46/569894946.db2.gz SQEAMJSUVMYOFQ-HNNXBMFYSA-N 0 0 469.840 5.911 40 0 JKABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)c(Br)c1 ZINC000222939938 569895002 /nfs/dbraw/zinc/89/50/02/569895002.db2.gz CPIOCDVPICTBNK-YADHBBJMSA-N 0 0 470.436 6.041 40 0 JKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000222940262 569895003 /nfs/dbraw/zinc/89/50/03/569895003.db2.gz IZIJFCHRXFWYSW-LEWJYISDSA-N 0 0 474.399 5.872 40 0 JKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000222940135 569895022 /nfs/dbraw/zinc/89/50/22/569895022.db2.gz IZIJFCHRXFWYSW-SFTDATJTSA-N 0 0 474.399 5.872 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000222941337 569895033 /nfs/dbraw/zinc/89/50/33/569895033.db2.gz PPLIYSLYZGLHLS-AWEZNQCLSA-N 0 0 471.812 5.358 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl ZINC000222942765 569895051 /nfs/dbraw/zinc/89/50/51/569895051.db2.gz NEQRVCJSHCNMBS-CQSZACIVSA-N 0 0 455.813 5.521 40 0 JKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C ZINC000222941947 569895064 /nfs/dbraw/zinc/89/50/64/569895064.db2.gz KLGARWALTSOEMO-QGZVFWFLSA-N 0 0 479.448 5.828 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000222941818 569895088 /nfs/dbraw/zinc/89/50/88/569895088.db2.gz ZGDBGYIAMCUMIQ-QGZVFWFLSA-N 0 0 493.475 6.002 40 0 JKABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222943593 569895107 /nfs/dbraw/zinc/89/51/07/569895107.db2.gz LOXKCTLLOLQUQY-JOCHJYFZSA-N 0 0 481.489 5.601 40 0 JKABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222943516 569895143 /nfs/dbraw/zinc/89/51/43/569895143.db2.gz LOXKCTLLOLQUQY-QFIPXVFZSA-N 0 0 481.489 5.601 40 0 JKABRN Cc1ccc(SCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222945754 569895192 /nfs/dbraw/zinc/89/51/92/569895192.db2.gz RJBZLIWTCLPQEK-INIZCTEOSA-N 0 0 467.462 5.726 40 0 JKABRN Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222947631 569895229 /nfs/dbraw/zinc/89/52/29/569895229.db2.gz NYUPCFQKMFKMCF-QGZVFWFLSA-N 0 0 481.489 6.116 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 ZINC000222947224 569895243 /nfs/dbraw/zinc/89/52/43/569895243.db2.gz PXHBFPIORCKBRD-MRXNPFEDSA-N 0 0 467.462 5.808 40 0 JKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Br)cc1 ZINC000222950744 569895269 /nfs/dbraw/zinc/89/52/69/569895269.db2.gz ZLWFCEUGXLHBCQ-SFHVURJKSA-N 0 0 477.468 5.016 40 0 JKABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1c(Cl)cccc1Cl ZINC000222969221 569895712 /nfs/dbraw/zinc/89/57/12/569895712.db2.gz CYESRKSVFOFTIC-FQEVSTJZSA-N 0 0 453.435 5.088 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccccc1 ZINC000222969953 569895749 /nfs/dbraw/zinc/89/57/49/569895749.db2.gz JKROTSWRYRBWQX-KRWDZBQOSA-N 0 0 465.421 5.484 40 0 JKABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222969635 569895753 /nfs/dbraw/zinc/89/57/53/569895753.db2.gz VEZGTSCGGDMDRA-KRWDZBQOSA-N 0 0 465.421 5.321 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222969793 569895767 /nfs/dbraw/zinc/89/57/67/569895767.db2.gz BEMJVTZJSVVEPD-KRWDZBQOSA-N 0 0 465.421 5.321 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)ccc1Cl ZINC000222973361 569895860 /nfs/dbraw/zinc/89/58/60/569895860.db2.gz VJDIQDVMHAKMNP-OAHLLOKOSA-N 0 0 485.839 5.666 40 0 JKABRN C[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975709 569895870 /nfs/dbraw/zinc/89/58/70/569895870.db2.gz ZNIKNKKDZRSJCF-GOSISDBHSA-N 0 0 455.440 5.417 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(F)cc1 ZINC000222975975 569895872 /nfs/dbraw/zinc/89/58/72/569895872.db2.gz MOVFULKOTNGKIW-HNNXBMFYSA-N 0 0 485.452 5.698 40 0 JKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222973929 569895894 /nfs/dbraw/zinc/89/58/94/569895894.db2.gz DUQDLHSDUILRTL-KRWDZBQOSA-N 0 0 479.448 5.828 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)ccc1Cl ZINC000222973292 569895896 /nfs/dbraw/zinc/89/58/96/569895896.db2.gz VJDIQDVMHAKMNP-HNNXBMFYSA-N 0 0 485.839 5.666 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222977169 569895905 /nfs/dbraw/zinc/89/59/05/569895905.db2.gz LKRRCALEWWPDEX-KRWDZBQOSA-N 0 0 463.449 5.820 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222977236 569895917 /nfs/dbraw/zinc/89/59/17/569895917.db2.gz LKRRCALEWWPDEX-QGZVFWFLSA-N 0 0 463.449 5.820 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1F ZINC000222981091 569896057 /nfs/dbraw/zinc/89/60/57/569896057.db2.gz LMRQPLDGDYCWAD-HNNXBMFYSA-N 0 0 485.452 5.698 40 0 JKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222981742 569896064 /nfs/dbraw/zinc/89/60/64/569896064.db2.gz LENNAYUWZALYRY-LEWJYISDSA-N 0 0 456.409 5.877 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222983884 569896072 /nfs/dbraw/zinc/89/60/72/569896072.db2.gz JDNMJYLALLFQOT-CYBMUJFWSA-N 0 0 490.258 6.175 40 0 JKABRN Cc1ccccc1OCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 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/nfs/dbraw/zinc/89/62/68/569896268.db2.gz ASBASPAGXFRSCB-KRWDZBQOSA-N 0 0 481.489 5.867 40 0 JKABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)S(C)(=O)=O)c1 ZINC000222990984 569896341 /nfs/dbraw/zinc/89/63/41/569896341.db2.gz MYHGEVRYNLBPRX-QFIPXVFZSA-N 0 0 490.669 5.639 40 0 JKABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000222992756 569896381 /nfs/dbraw/zinc/89/63/81/569896381.db2.gz GIXNBARRPKJQNO-HXUWFJFHSA-N 0 0 464.993 5.015 40 0 JKABRN C[C@@H](NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000222991382 569896390 /nfs/dbraw/zinc/89/63/90/569896390.db2.gz YJUWPYPAIKQWAI-LJQANCHMSA-N 0 0 480.605 5.162 40 0 JKABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000222992896 569896422 /nfs/dbraw/zinc/89/64/22/569896422.db2.gz ADKKGLDJPKMQQJ-LJQANCHMSA-N 0 0 499.438 5.668 40 0 JKABRN Cc1ccc(OCCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223009979 569896722 /nfs/dbraw/zinc/89/67/22/569896722.db2.gz 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ZINC000223546546 569915523 /nfs/dbraw/zinc/91/55/23/569915523.db2.gz KABHSVSIFRDVIC-UHFFFAOYSA-N 0 0 484.577 6.037 40 0 JKABRN CCc1ccc(CC)c(CNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000223549508 569915621 /nfs/dbraw/zinc/91/56/21/569915621.db2.gz IHJBNCGPDQFMRU-UHFFFAOYSA-N 0 0 485.049 5.285 40 0 JKABRN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)ccc1Cl ZINC000223550183 569915632 /nfs/dbraw/zinc/91/56/32/569915632.db2.gz AGFDTNXTQBHWRG-ZEQRLZLVSA-N 0 0 460.006 5.402 40 0 JKABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000223550639 569915641 /nfs/dbraw/zinc/91/56/41/569915641.db2.gz VWAXZLIIWUOAQZ-SANMLTNESA-N 0 0 499.438 6.188 40 0 JKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000223551948 569915683 /nfs/dbraw/zinc/91/56/83/569915683.db2.gz VDRWIBTULKEMFR-DEOSSOPVSA-N 0 0 456.630 5.820 40 0 JKABRN CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223552949 569915717 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CUVLACBKAKIETF-SSEXGKCCSA-N 0 0 493.607 5.109 40 0 JKABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223566587 569916352 /nfs/dbraw/zinc/91/63/52/569916352.db2.gz RQAMIPYGZUZMPQ-SANMLTNESA-N 0 0 464.993 5.187 40 0 JKABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223566714 569916393 /nfs/dbraw/zinc/91/63/93/569916393.db2.gz BOPJOQFHYAINNE-MHZLTWQESA-N 0 0 479.020 5.578 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223570481 569916461 /nfs/dbraw/zinc/91/64/61/569916461.db2.gz JJRBGQUZWOMGMW-QFIPXVFZSA-N 0 0 479.448 5.875 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000223572567 569916511 /nfs/dbraw/zinc/91/65/11/569916511.db2.gz WOFQDKGUNFVQEH-QDPGVEIFSA-N 0 0 491.075 6.136 40 0 JKABRN CCCSc1nnc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)s1 ZINC000223576531 569916620 /nfs/dbraw/zinc/91/66/20/569916620.db2.gz BLLJSKHIYZDGPA-HXUWFJFHSA-N 0 0 470.645 5.067 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223577197 569916625 /nfs/dbraw/zinc/91/66/25/569916625.db2.gz ZKKLFBMIMDDCLK-NRFANRHFSA-N 0 0 465.421 5.267 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223577122 569916671 /nfs/dbraw/zinc/91/66/71/569916671.db2.gz YZYQLGFAAYEMRV-OAQYLSRUSA-N 0 0 499.479 6.088 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223578208 569916722 /nfs/dbraw/zinc/91/67/22/569916722.db2.gz JNRYDFNQPIPYDN-HSZRJFAPSA-N 0 0 477.476 6.211 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223578292 569916725 /nfs/dbraw/zinc/91/67/25/569916725.db2.gz ORMPOUORBVNOCF-DEOSSOPVSA-N 0 0 491.503 6.772 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223581943 569916826 /nfs/dbraw/zinc/91/68/26/569916826.db2.gz CTFTXXSENOPMNZ-HXUWFJFHSA-N 0 0 493.431 5.377 40 0 JKABRN CCCC[C@@H](CC)CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223580904 569916834 /nfs/dbraw/zinc/91/68/34/569916834.db2.gz XGUCVKNMSSIWKV-LJQANCHMSA-N 0 0 484.584 5.542 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223583619 569916851 /nfs/dbraw/zinc/91/68/51/569916851.db2.gz ONZWTLKSFUFBBA-QFIPXVFZSA-N 0 0 493.475 6.218 40 0 JKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)cc1 ZINC000223582958 569916861 /nfs/dbraw/zinc/91/68/61/569916861.db2.gz BFCJNJNGKVVZPC-NRFANRHFSA-N 0 0 465.421 5.403 40 0 JKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223583418 569916894 /nfs/dbraw/zinc/91/68/94/569916894.db2.gz QVOOKAKWEMZANT-HXUWFJFHSA-N 0 0 469.384 5.233 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C ZINC000223585038 569916906 /nfs/dbraw/zinc/91/69/06/569916906.db2.gz CVZZCGCHIKGNRL-LXFBAYGMSA-N 0 0 491.075 6.054 40 0 JKABRN 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40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3C)o2)cc1 ZINC000223835334 569924714 /nfs/dbraw/zinc/92/47/14/569924714.db2.gz XUKDSOCPXQJPEJ-IZZNHLLZSA-N 0 0 490.028 6.879 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1C ZINC000223835156 569924722 /nfs/dbraw/zinc/92/47/22/569924722.db2.gz NZEHKUNDUPHLIJ-INIZCTEOSA-N 0 0 453.435 5.088 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223839253 569924790 /nfs/dbraw/zinc/92/47/90/569924790.db2.gz ODVCNCYPSWPTQL-KRWDZBQOSA-N 0 0 467.462 5.809 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)cc(C)c1 ZINC000223839822 569924836 /nfs/dbraw/zinc/92/48/36/569924836.db2.gz AXQXBMGAYXJIGN-HSZRJFAPSA-N 0 0 479.448 5.713 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)OC)c2)cc1 ZINC000223840802 569924839 /nfs/dbraw/zinc/92/48/39/569924839.db2.gz JQTBIRHTRLVTQY-FTJBHMTQSA-N 0 0 498.608 5.235 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000223840015 569924846 /nfs/dbraw/zinc/92/48/46/569924846.db2.gz VGQKUTGLZPIYFL-QHCPKHFHSA-N 0 0 479.448 5.713 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)OC)o2)cc1 ZINC000223842263 569924859 /nfs/dbraw/zinc/92/48/59/569924859.db2.gz DWBOSXVZBCHSOD-FTJBHMTQSA-N 0 0 499.592 5.704 40 0 JKABRN Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)S(C)(=O)=O ZINC000223843304 569924863 /nfs/dbraw/zinc/92/48/63/569924863.db2.gz BXMJGNROTKXNKG-UHFFFAOYSA-N 0 0 484.577 6.113 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)OC)c3)o2)cc1 ZINC000223841981 569924867 /nfs/dbraw/zinc/92/48/67/569924867.db2.gz KHQWUQMVIBLAQC-UIOOFZCWSA-N 0 0 499.592 5.704 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 ZINC000223841892 569924873 /nfs/dbraw/zinc/92/48/73/569924873.db2.gz GGMUCEIGUKERHR-CLJLJLNGSA-N 0 0 499.592 5.704 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223841631 569924894 /nfs/dbraw/zinc/92/48/94/569924894.db2.gz UXBOQZWWPOZFQB-HSZRJFAPSA-N 0 0 463.449 5.876 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)OC)o2)cc1 ZINC000223842366 569924898 /nfs/dbraw/zinc/92/48/98/569924898.db2.gz DWBOSXVZBCHSOD-CLJLJLNGSA-N 0 0 499.592 5.704 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 ZINC000223841837 569924904 /nfs/dbraw/zinc/92/49/04/569924904.db2.gz GGMUCEIGUKERHR-IZZNHLLZSA-N 0 0 499.592 5.704 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000223844106 569924952 /nfs/dbraw/zinc/92/49/52/569924952.db2.gz DDBRJXUQETXORV-DEOSSOPVSA-N 0 0 493.475 6.219 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cc2Cl)cc1 ZINC000223849982 569925035 /nfs/dbraw/zinc/92/50/35/569925035.db2.gz WJQWWSXFICQNJC-GOTSBHOMSA-N 0 0 481.408 6.062 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000223852034 569925071 /nfs/dbraw/zinc/92/50/71/569925071.db2.gz AIOROLWUKVHUIP-QHCPKHFHSA-N 0 0 495.516 6.259 40 0 JKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000223852984 569925133 /nfs/dbraw/zinc/92/51/33/569925133.db2.gz JYBBWWJNMAVBPL-RXFWQSSRSA-N 0 0 497.466 6.091 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000223853092 569925157 /nfs/dbraw/zinc/92/51/57/569925157.db2.gz JYBBWWJNMAVBPL-FNZWTVRRSA-N 0 0 497.466 6.091 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C ZINC000223855252 569925190 /nfs/dbraw/zinc/92/51/90/569925190.db2.gz YVLGEEJGJHUMTP-NRFANRHFSA-N 0 0 465.421 5.404 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc2ccccc21 ZINC000223855653 569925207 /nfs/dbraw/zinc/92/52/07/569925207.db2.gz XZTKKBMEALAZBW-LJQANCHMSA-N 0 0 464.993 5.348 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C ZINC000223855187 569925224 /nfs/dbraw/zinc/92/52/24/569925224.db2.gz YVLGEEJGJHUMTP-OAQYLSRUSA-N 0 0 465.421 5.404 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223855338 569925225 /nfs/dbraw/zinc/92/52/25/569925225.db2.gz XQHDBRRSIPTPRI-OAQYLSRUSA-N 0 0 485.839 5.749 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223856747 569925232 /nfs/dbraw/zinc/92/52/32/569925232.db2.gz HXIFJOKAHNSGIW-QHCPKHFHSA-N 0 0 495.516 6.259 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223865441 569925549 /nfs/dbraw/zinc/92/55/49/569925549.db2.gz WQHZDTHXMPHKJB-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223865789 569925551 /nfs/dbraw/zinc/92/55/51/569925551.db2.gz TVDCVYUJUXTATE-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc2ccccc21 ZINC000223866036 569925557 /nfs/dbraw/zinc/92/55/57/569925557.db2.gz RMZRCEJOKXBFRM-INIZCTEOSA-N 0 0 459.373 5.079 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSCc1ccccc1 ZINC000223867147 569925605 /nfs/dbraw/zinc/92/56/05/569925605.db2.gz GRZTVPXWKUAAAR-MRXNPFEDSA-N 0 0 453.435 5.170 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223866236 569925619 /nfs/dbraw/zinc/92/56/19/569925619.db2.gz UKPUEFCINIFZQP-MRXNPFEDSA-N 0 0 465.421 5.223 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223868527 569925656 /nfs/dbraw/zinc/92/56/56/569925656.db2.gz RFNGVOIBLRMMIW-KRWDZBQOSA-N 0 0 463.018 5.188 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223868465 569925666 /nfs/dbraw/zinc/92/56/66/569925666.db2.gz OVUWCRSKEGYRCH-QGZVFWFLSA-N 0 0 463.018 5.188 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(F)(F)F)c2)cc1 ZINC000223867565 569925669 /nfs/dbraw/zinc/92/56/69/569925669.db2.gz DEJCEJVRYHXSAO-GOTSBHOMSA-N 0 0 480.515 5.774 40 0 JKABRN Cc1cc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)ccc1Br ZINC000223868892 569925687 /nfs/dbraw/zinc/92/56/87/569925687.db2.gz JHAZSVBKLRPMQZ-UHFFFAOYSA-N 0 0 487.375 5.062 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Br)c2)cc1 ZINC000223868542 569925700 /nfs/dbraw/zinc/92/57/00/569925700.db2.gz GLXHITZBEBKMBA-GOTSBHOMSA-N 0 0 491.414 5.518 40 0 JKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223869745 569925741 /nfs/dbraw/zinc/92/57/41/569925741.db2.gz SCEFKTKGZIRDRS-LOSJGSFVSA-N 0 0 456.571 5.154 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223869642 569925749 /nfs/dbraw/zinc/92/57/49/569925749.db2.gz PNBBSBJKRPJVLB-QGZVFWFLSA-N 0 0 495.447 5.277 40 0 JKABRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)ccc1Cl ZINC000223870926 569925802 /nfs/dbraw/zinc/92/58/02/569925802.db2.gz GPFJFMOEOMLHRG-BJKOFHAPSA-N 0 0 460.990 5.717 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223874052 569925829 /nfs/dbraw/zinc/92/58/29/569925829.db2.gz YOHJMOMERWMWHS-QGZVFWFLSA-N 0 0 457.401 5.633 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000223874266 569925852 /nfs/dbraw/zinc/92/58/52/569925852.db2.gz HWKXYFKTDDINFT-XZOQPEGZSA-N 0 0 482.392 6.531 40 0 JKABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223876498 569925958 /nfs/dbraw/zinc/92/59/58/569925958.db2.gz BRUWBVMDPQIURT-ZEQRLZLVSA-N 0 0 461.974 6.186 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223876661 569925967 /nfs/dbraw/zinc/92/59/67/569925967.db2.gz HXJCIJNYGGOFDJ-LBPRGKRZSA-N 0 0 462.204 5.396 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223879354 569925972 /nfs/dbraw/zinc/92/59/72/569925972.db2.gz PLMBLTIRYRSELR-KRWDZBQOSA-N 0 0 467.462 5.397 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1C ZINC000223879041 569926018 /nfs/dbraw/zinc/92/60/18/569926018.db2.gz MQANQZQIJSUXAG-MRXNPFEDSA-N 0 0 453.435 5.088 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000223880985 569926109 /nfs/dbraw/zinc/92/61/09/569926109.db2.gz NLXJCPVLFAYOBJ-CYBMUJFWSA-N 0 0 491.843 5.573 40 0 JKABRN COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 ZINC000223881624 569926131 /nfs/dbraw/zinc/92/61/31/569926131.db2.gz AFIADQOJBVFHRY-RPWUZVMVSA-N 0 0 471.538 5.011 40 0 JKABRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223881335 569926142 /nfs/dbraw/zinc/92/61/42/569926142.db2.gz ZPDXIKKLMNWDHE-DNQXCXABSA-N 0 0 471.538 5.011 40 0 JKABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223881917 569926155 /nfs/dbraw/zinc/92/61/55/569926155.db2.gz CQXVTORVYIXVKP-BJKOFHAPSA-N 0 0 471.538 5.011 40 0 JKABRN COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223881492 569926178 /nfs/dbraw/zinc/92/61/78/569926178.db2.gz ZPDXIKKLMNWDHE-ZEQRLZLVSA-N 0 0 471.538 5.011 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 ZINC000223883806 569926201 /nfs/dbraw/zinc/92/62/01/569926201.db2.gz HOXRIVKMKXTWNV-MOPGFXCFSA-N 0 0 459.438 5.149 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223884631 569926234 /nfs/dbraw/zinc/92/62/34/569926234.db2.gz LGMDMEZNRTYPEL-HSZRJFAPSA-N 0 0 479.448 5.713 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223884593 569926249 /nfs/dbraw/zinc/92/62/49/569926249.db2.gz ZDJWUXFKLDWTAQ-KRWDZBQOSA-N 0 0 451.007 5.295 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccccc1 ZINC000223884889 569926251 /nfs/dbraw/zinc/92/62/51/569926251.db2.gz ULWAFIZDDCALGC-HSZRJFAPSA-N 0 0 479.448 5.876 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000223884814 569926265 /nfs/dbraw/zinc/92/62/65/569926265.db2.gz KLEQFDKDRMPWBO-QHCPKHFHSA-N 0 0 479.448 5.713 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223884684 569926266 /nfs/dbraw/zinc/92/62/66/569926266.db2.gz LGMDMEZNRTYPEL-QHCPKHFHSA-N 0 0 479.448 5.713 40 0 JKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1nccs1 ZINC000223886786 569926289 /nfs/dbraw/zinc/92/62/89/569926289.db2.gz SHZYLLKUVNKOCF-DHIUTWEWSA-N 0 0 474.659 5.189 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223888261 569926295 /nfs/dbraw/zinc/92/62/95/569926295.db2.gz PGDVVESBMSKISM-JOCHJYFZSA-N 0 0 499.866 6.058 40 0 JKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccnc1 ZINC000223887908 569926304 /nfs/dbraw/zinc/92/63/04/569926304.db2.gz KGQZFFROTKQQIJ-CLJLJLNGSA-N 0 0 468.630 5.127 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)cc1 ZINC000223887453 569926319 /nfs/dbraw/zinc/92/63/19/569926319.db2.gz NUHMCYVDGBOTMY-DQEYMECFSA-N 0 0 496.665 5.725 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1Cl ZINC000223886953 569926322 /nfs/dbraw/zinc/92/63/22/569926322.db2.gz BYYAXDWEMRBSFW-FQEVSTJZSA-N 0 0 485.839 5.749 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223889083 569926349 /nfs/dbraw/zinc/92/63/49/569926349.db2.gz YYRXFOUSPHYCHK-GOSISDBHSA-N 0 0 460.977 5.114 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223890292 569926407 /nfs/dbraw/zinc/92/64/07/569926407.db2.gz UXCWPLOPLHQROR-INIZCTEOSA-N 0 0 497.886 5.279 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223890672 569926418 /nfs/dbraw/zinc/92/64/18/569926418.db2.gz KCDKVBXZJMZDEJ-INIZCTEOSA-N 0 0 497.886 5.528 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223890236 569926419 /nfs/dbraw/zinc/92/64/19/569926419.db2.gz UXCWPLOPLHQROR-MRXNPFEDSA-N 0 0 497.886 5.279 40 0 JKABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 ZINC000223889813 569926430 /nfs/dbraw/zinc/92/64/30/569926430.db2.gz LAUHAGWSPMRFAW-UIOOFZCWSA-N 0 0 453.615 5.424 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1Cc1ccccc1 ZINC000223893446 569926446 /nfs/dbraw/zinc/92/64/46/569926446.db2.gz CNOUHQIVRUJWRG-IZLXSDGUSA-N 0 0 481.669 5.791 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223892339 569926451 /nfs/dbraw/zinc/92/64/51/569926451.db2.gz NDCRNMMIFOWLQX-VWLOTQADSA-N 0 0 491.503 6.773 40 0 JKABRN Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1 ZINC000223891879 569926456 /nfs/dbraw/zinc/92/64/56/569926456.db2.gz AJRJFMSRWURATQ-FTJBHMTQSA-N 0 0 486.666 6.377 40 0 JKABRN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1 ZINC000223891918 569926470 /nfs/dbraw/zinc/92/64/70/569926470.db2.gz AJRJFMSRWURATQ-IZZNHLLZSA-N 0 0 486.666 6.377 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1F ZINC000223896345 569926579 /nfs/dbraw/zinc/92/65/79/569926579.db2.gz OWSPZWAVMCJAPD-JOCHJYFZSA-N 0 0 499.479 6.089 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1 ZINC000223899755 569926615 /nfs/dbraw/zinc/92/66/15/569926615.db2.gz MYGBUDQPRGWKHG-OAQYLSRUSA-N 0 0 451.394 5.096 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223898863 569926623 /nfs/dbraw/zinc/92/66/23/569926623.db2.gz QIFJWNDOHOHKOV-GOSISDBHSA-N 0 0 477.045 5.828 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223898616 569926624 /nfs/dbraw/zinc/92/66/24/569926624.db2.gz CSLGYPFMRHSUOB-NRFANRHFSA-N 0 0 469.840 5.913 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223899546 569926645 /nfs/dbraw/zinc/92/66/45/569926645.db2.gz CBCLMAUVYFJPCP-QHCPKHFHSA-N 0 0 463.449 5.876 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1C ZINC000223901156 569926678 /nfs/dbraw/zinc/92/66/78/569926678.db2.gz XKLNULATFJEQBC-HSZRJFAPSA-N 0 0 495.516 6.259 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000223902541 569926704 /nfs/dbraw/zinc/92/67/04/569926704.db2.gz ICGMXXCSFWELOY-HNNXBMFYSA-N 0 0 483.823 5.502 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223901590 569926719 /nfs/dbraw/zinc/92/67/19/569926719.db2.gz BONIXNXLFAJVLT-HNNXBMFYSA-N 0 0 451.369 5.151 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 ZINC000223903306 569926730 /nfs/dbraw/zinc/92/67/30/569926730.db2.gz XQDUGLBFQRATDS-MRXNPFEDSA-N 0 0 465.446 5.562 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccc(Cl)cc1 ZINC000223903512 569926781 /nfs/dbraw/zinc/92/67/81/569926781.db2.gz FWLFNLNIRTXEIH-HNNXBMFYSA-N 0 0 499.891 6.215 40 0 JKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223903945 569926789 /nfs/dbraw/zinc/92/67/89/569926789.db2.gz JOUYKIAHNVQGAU-SFHVURJKSA-N 0 0 493.500 6.011 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223906332 569926803 /nfs/dbraw/zinc/92/68/03/569926803.db2.gz LFQGHQWZKWDQIN-RPBOFIJWSA-N 0 0 457.578 5.255 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 ZINC000223905792 569926829 /nfs/dbraw/zinc/92/68/29/569926829.db2.gz MJTYJJUZRXARKM-DQEYMECFSA-N 0 0 457.578 5.255 40 0 JKABRN Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223904968 569926830 /nfs/dbraw/zinc/92/68/30/569926830.db2.gz LCONMLJHPZLDMB-UIOOFZCWSA-N 0 0 453.615 5.424 40 0 JKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223905040 569926831 /nfs/dbraw/zinc/92/68/31/569926831.db2.gz IDNJOBJNIVLSEY-CLJLJLNGSA-N 0 0 453.615 5.424 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 ZINC000223905849 569926842 /nfs/dbraw/zinc/92/68/42/569926842.db2.gz MJTYJJUZRXARKM-RPBOFIJWSA-N 0 0 457.578 5.255 40 0 JKABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 ZINC000223907040 569926877 /nfs/dbraw/zinc/92/68/77/569926877.db2.gz COHUJBKLCPDUFD-FTJBHMTQSA-N 0 0 469.614 5.124 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)cc1 ZINC000223909499 569926917 /nfs/dbraw/zinc/92/69/17/569926917.db2.gz NCIVRLVIGQGBTA-WDYNHAJCSA-N 0 0 489.648 6.269 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc3ccccc3c2)cc1 ZINC000223909562 569926930 /nfs/dbraw/zinc/92/69/30/569926930.db2.gz NCIVRLVIGQGBTA-URLMMPGGSA-N 0 0 489.648 6.269 40 0 JKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1C ZINC000223908943 569926936 /nfs/dbraw/zinc/92/69/36/569926936.db2.gz DITYEZSJHLGJRX-SVBPBHIXSA-N 0 0 467.642 5.732 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000223909341 569926951 /nfs/dbraw/zinc/92/69/51/569926951.db2.gz FRUUMHPTEQCJAH-BJKOFHAPSA-N 0 0 475.021 5.164 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSCc1ccccc1 ZINC000223910469 569927000 /nfs/dbraw/zinc/92/70/00/569927000.db2.gz IHTOXBGSWLXZLX-INIZCTEOSA-N 0 0 453.435 5.170 40 0 JKABRN Cc1ccccc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223912036 569927025 /nfs/dbraw/zinc/92/70/25/569927025.db2.gz TZSHGWMNVITOQA-UHFFFAOYSA-N 0 0 451.032 5.175 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223912794 569927036 /nfs/dbraw/zinc/92/70/36/569927036.db2.gz VQQHZWPRGXQOSK-QGZVFWFLSA-N 0 0 495.447 5.277 40 0 JKABRN Cc1cccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223914309 569927105 /nfs/dbraw/zinc/92/71/05/569927105.db2.gz FVFHSQGWFFWAGF-UHFFFAOYSA-N 0 0 451.032 5.175 40 0 JKABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1Cl ZINC000223914850 569927119 /nfs/dbraw/zinc/92/71/19/569927119.db2.gz YIGXLSSCPDRAPM-FTJBHMTQSA-N 0 0 489.044 6.547 40 0 JKABRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1Cl ZINC000223914801 569927134 /nfs/dbraw/zinc/92/71/34/569927134.db2.gz YIGXLSSCPDRAPM-CLJLJLNGSA-N 0 0 489.044 6.547 40 0 JKABRN Cc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223916414 569927158 /nfs/dbraw/zinc/92/71/58/569927158.db2.gz AOTMXNFOMMMTQO-UHFFFAOYSA-N 0 0 451.032 5.175 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc21 ZINC000223917282 569927197 /nfs/dbraw/zinc/92/71/97/569927197.db2.gz RPYRUAGVTIABPV-KRWDZBQOSA-N 0 0 457.401 5.633 40 0 JKABRN Cc1ccc(N(CC(=O)Nc2ccc3c4c(cccc42)CC3)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223917754 569927239 /nfs/dbraw/zinc/92/72/39/569927239.db2.gz DFTHMZCEQAYBQM-UHFFFAOYSA-N 0 0 491.012 5.734 40 0 JKABRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1 ZINC000223918609 569927243 /nfs/dbraw/zinc/92/72/43/569927243.db2.gz ARXKZZYCNXXMLJ-CLJLJLNGSA-N 0 0 498.608 5.371 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223919833 569927261 /nfs/dbraw/zinc/92/72/61/569927261.db2.gz BFYSDGQFJMYPID-LBPRGKRZSA-N 0 0 462.204 5.396 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223920183 569927281 /nfs/dbraw/zinc/92/72/81/569927281.db2.gz SPIARIXGSPFMNV-GFCCVEGCSA-N 0 0 462.204 5.396 40 0 JKABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223919001 569927300 /nfs/dbraw/zinc/92/73/00/569927300.db2.gz VTRXKMMCZMVTFQ-CLJLJLNGSA-N 0 0 498.608 5.371 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223920762 569927316 /nfs/dbraw/zinc/92/73/16/569927316.db2.gz OUCMJCORQNYSKN-SFHVURJKSA-N 0 0 489.454 5.069 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)cc1Cl ZINC000223921246 569927323 /nfs/dbraw/zinc/92/73/23/569927323.db2.gz KCVVTHYKBJJCII-GFCCVEGCSA-N 0 0 478.203 5.232 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)cc1 ZINC000223921319 569927339 /nfs/dbraw/zinc/92/73/39/569927339.db2.gz ZPESDDLWGFMSQO-UHFFFAOYSA-N 0 0 486.549 5.672 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223920703 569927359 /nfs/dbraw/zinc/92/73/59/569927359.db2.gz OUCMJCORQNYSKN-GOSISDBHSA-N 0 0 489.454 5.069 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223922383 569927425 /nfs/dbraw/zinc/92/74/25/569927425.db2.gz BKBNGADMEIIWLR-MRXNPFEDSA-N 0 0 453.435 5.088 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000223923592 569927440 /nfs/dbraw/zinc/92/74/40/569927440.db2.gz CRSUIQRPSWNQBA-INIZCTEOSA-N 0 0 453.435 5.337 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1cccc(Cl)c1 ZINC000223922792 569927455 /nfs/dbraw/zinc/92/74/55/569927455.db2.gz FWTLXCVMQMLACC-AWEZNQCLSA-N 0 0 473.853 5.433 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1c(F)cccc1Cl ZINC000223924263 569927462 /nfs/dbraw/zinc/92/74/62/569927462.db2.gz PHRPPYPLRCJEOL-ZDUSSCGKSA-N 0 0 491.843 5.573 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000223923535 569927481 /nfs/dbraw/zinc/92/74/81/569927481.db2.gz CRSUIQRPSWNQBA-MRXNPFEDSA-N 0 0 453.435 5.337 40 0 JKABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000223925454 569927489 /nfs/dbraw/zinc/92/74/89/569927489.db2.gz DEMYSSZSFGFQPM-SFHVURJKSA-N 0 0 477.432 5.465 40 0 JKABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223926456 569927507 /nfs/dbraw/zinc/92/75/07/569927507.db2.gz FKNCZNAHYQNSLO-NSOVKSMOSA-N 0 0 495.652 5.194 40 0 JKABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223926350 569927520 /nfs/dbraw/zinc/92/75/20/569927520.db2.gz FKNCZNAHYQNSLO-IZLXSDGUSA-N 0 0 495.652 5.194 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223929806 569927597 /nfs/dbraw/zinc/92/75/97/569927597.db2.gz CYEHLHOHEOZYPT-SFHVURJKSA-N 0 0 477.432 5.465 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1C(C)C ZINC000223929817 569927632 /nfs/dbraw/zinc/92/76/32/569927632.db2.gz QXIBWOCOPGCCIZ-UIOOFZCWSA-N 0 0 475.662 5.095 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223931941 569927682 /nfs/dbraw/zinc/92/76/82/569927682.db2.gz FZAWKYNBJSKBPP-MRXNPFEDSA-N 0 0 497.463 5.842 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1Cl ZINC000223934281 569927724 /nfs/dbraw/zinc/92/77/24/569927724.db2.gz WFHACUAVFBQRAU-MRXNPFEDSA-N 0 0 497.886 5.279 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223940327 569927805 /nfs/dbraw/zinc/92/78/05/569927805.db2.gz JKSPESYKKPWAAQ-HNNXBMFYSA-N 0 0 483.823 5.502 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223938879 569927819 /nfs/dbraw/zinc/92/78/19/569927819.db2.gz HHOGTAOIVAZQTQ-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223938818 569927843 /nfs/dbraw/zinc/92/78/43/569927843.db2.gz IQMGGTZUGYKFGO-JOCHJYFZSA-N 0 0 483.867 6.303 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1C ZINC000223938076 569927850 /nfs/dbraw/zinc/92/78/50/569927850.db2.gz OEUBFBFZZSPYLL-SFHVURJKSA-N 0 0 477.432 5.465 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(C)c1 ZINC000223942088 569927889 /nfs/dbraw/zinc/92/78/89/569927889.db2.gz VCSZJIIESKNMLQ-JOCHJYFZSA-N 0 0 465.421 5.404 40 0 JKABRN Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000223941609 569927891 /nfs/dbraw/zinc/92/78/91/569927891.db2.gz MCAWRFDXQAIRKK-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223941161 569927892 /nfs/dbraw/zinc/92/78/92/569927892.db2.gz MIIVYFJZWINLEK-NRFANRHFSA-N 0 0 493.431 5.378 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223941334 569927896 /nfs/dbraw/zinc/92/78/96/569927896.db2.gz GHAQDGWKPGRSOV-OAHLLOKOSA-N 0 0 499.891 6.215 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223941284 569927919 /nfs/dbraw/zinc/92/79/19/569927919.db2.gz GHAQDGWKPGRSOV-HNNXBMFYSA-N 0 0 499.891 6.215 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000223942500 569927926 /nfs/dbraw/zinc/92/79/26/569927926.db2.gz HCGYZDMJUHDHII-HXUWFJFHSA-N 0 0 469.384 5.235 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000223942553 569927942 /nfs/dbraw/zinc/92/79/42/569927942.db2.gz HCGYZDMJUHDHII-FQEVSTJZSA-N 0 0 469.384 5.235 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)c1 ZINC000223943232 569927970 /nfs/dbraw/zinc/92/79/70/569927970.db2.gz MFIMWWXJIJQTHJ-UHFFFAOYSA-N 0 0 456.567 5.608 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2C)c1 ZINC000223942593 569927979 /nfs/dbraw/zinc/92/79/79/569927979.db2.gz YBGCAHKISZLKDS-UHFFFAOYSA-N 0 0 470.550 6.256 40 0 JKABRN Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223943705 569927987 /nfs/dbraw/zinc/92/79/87/569927987.db2.gz GIIQMPPCMJWPNB-RRPNLBNLSA-N 0 0 499.615 5.025 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223944855 569927992 /nfs/dbraw/zinc/92/79/92/569927992.db2.gz ZJQSAEAFVLNZLB-HSZRJFAPSA-N 0 0 463.449 5.876 40 0 JKABRN Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223943640 569928021 /nfs/dbraw/zinc/92/80/21/569928021.db2.gz GIIQMPPCMJWPNB-SXOMAYOGSA-N 0 0 499.615 5.025 40 0 JKABRN Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223944062 569928028 /nfs/dbraw/zinc/92/80/28/569928028.db2.gz ISYIQAHXAZGKGY-KAYWLYCHSA-N 0 0 499.615 5.025 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223943881 569928042 /nfs/dbraw/zinc/92/80/42/569928042.db2.gz IVUBRCCXVXALGT-OAQYLSRUSA-N 0 0 469.840 5.913 40 0 JKABRN Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223943588 569928043 /nfs/dbraw/zinc/92/80/43/569928043.db2.gz GIIQMPPCMJWPNB-KAYWLYCHSA-N 0 0 499.615 5.025 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2C)cc1 ZINC000223944422 569928044 /nfs/dbraw/zinc/92/80/44/569928044.db2.gz LDANZNIBVNXYHD-UHFFFAOYSA-N 0 0 470.550 6.256 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223947276 569928062 /nfs/dbraw/zinc/92/80/62/569928062.db2.gz WPSWXLAZSIZZDF-HSZRJFAPSA-N 0 0 477.070 5.306 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223947206 569928081 /nfs/dbraw/zinc/92/80/81/569928081.db2.gz NDSCRXUPCVHRSI-QHCPKHFHSA-N 0 0 477.070 5.306 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2C)c1C ZINC000223946294 569928086 /nfs/dbraw/zinc/92/80/86/569928086.db2.gz CTRPXKPAFYLBJF-UHFFFAOYSA-N 0 0 484.577 6.564 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223945602 569928104 /nfs/dbraw/zinc/92/81/04/569928104.db2.gz NIKIQQGODHHGNS-NRFANRHFSA-N 0 0 481.420 5.105 40 0 JKABRN CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000223949302 569928117 /nfs/dbraw/zinc/92/81/17/569928117.db2.gz KMCATUSBUQPWRD-UHFFFAOYSA-N 0 0 480.630 5.174 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223947985 569928128 /nfs/dbraw/zinc/92/81/28/569928128.db2.gz RXJMPXRKZOKOIQ-XMMPIXPASA-N 0 0 456.652 5.210 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nnc(SCC(C)C)s3)ccc2C)cc1C ZINC000223948533 569928136 /nfs/dbraw/zinc/92/81/36/569928136.db2.gz NQETXMHAABOFSQ-UHFFFAOYSA-N 0 0 490.676 5.265 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2C)c1 ZINC000223949547 569928149 /nfs/dbraw/zinc/92/81/49/569928149.db2.gz CERGVFIARICAMI-UHFFFAOYSA-N 0 0 456.995 5.039 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000223948693 569928153 /nfs/dbraw/zinc/92/81/53/569928153.db2.gz QSXPNDXDJYDFDP-QHCPKHFHSA-N 0 0 495.060 5.445 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223949382 569928182 /nfs/dbraw/zinc/92/81/82/569928182.db2.gz MRVUQIYCIBDFLN-QGZVFWFLSA-N 0 0 463.449 5.777 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223950824 569928196 /nfs/dbraw/zinc/92/81/96/569928196.db2.gz MYRUVLSWVSOMDZ-QGZVFWFLSA-N 0 0 451.394 5.014 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223950943 569928266 /nfs/dbraw/zinc/92/82/66/569928266.db2.gz GHIGGAYNMYETBP-OAHLLOKOSA-N 0 0 471.812 5.359 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2C)c1 ZINC000223951727 569928267 /nfs/dbraw/zinc/92/82/67/569928267.db2.gz GIKLREOJCQIZCA-UHFFFAOYSA-N 0 0 456.995 5.039 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc2ccccc21 ZINC000223953632 569928273 /nfs/dbraw/zinc/92/82/73/569928273.db2.gz YICXBADUOMUHHQ-MRXNPFEDSA-N 0 0 459.373 5.079 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223953759 569928325 /nfs/dbraw/zinc/92/83/25/569928325.db2.gz DBENJPROSZUVEK-OAHLLOKOSA-N 0 0 471.812 5.196 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 ZINC000223960133 569928506 /nfs/dbraw/zinc/92/85/06/569928506.db2.gz RHWHCVOVQDZUPW-OALUTQOASA-N 0 0 473.421 5.041 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223962549 569928548 /nfs/dbraw/zinc/92/85/48/569928548.db2.gz JTBXAMJMKMSULU-QGZVFWFLSA-N 0 0 495.845 5.205 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000223962140 569928553 /nfs/dbraw/zinc/92/85/53/569928553.db2.gz NMEVFZDKKPCXHP-MRXNPFEDSA-N 0 0 453.435 5.088 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223961942 569928565 /nfs/dbraw/zinc/92/85/65/569928565.db2.gz SDRFDCFXEMGCPP-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223961586 569928593 /nfs/dbraw/zinc/92/85/93/569928593.db2.gz AKHWKPRZDCMZRI-OAHLLOKOSA-N 0 0 487.880 6.073 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223961634 569928597 /nfs/dbraw/zinc/92/85/97/569928597.db2.gz AKHWKPRZDCMZRI-HNNXBMFYSA-N 0 0 487.880 6.073 40 0 JKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000223964677 569928683 /nfs/dbraw/zinc/92/86/83/569928683.db2.gz VWLGTJKVAZPORT-SFHVURJKSA-N 0 0 461.433 5.629 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1Cl ZINC000223965229 569928687 /nfs/dbraw/zinc/92/86/87/569928687.db2.gz AGQOSYGPPOCKOT-HNNXBMFYSA-N 0 0 483.823 5.502 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccnc3)c2C)cc1 ZINC000223964602 569928697 /nfs/dbraw/zinc/92/86/97/569928697.db2.gz ZMQIPRDIPRWRSA-UIOOFZCWSA-N 0 0 482.613 5.020 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCSCc1ccccc1 ZINC000223966547 569928777 /nfs/dbraw/zinc/92/87/77/569928777.db2.gz SZMVRLJLAHOWSB-SFHVURJKSA-N 0 0 477.468 5.016 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223966851 569928842 /nfs/dbraw/zinc/92/88/42/569928842.db2.gz SEKDRBAGGIJFSF-SFHVURJKSA-N 0 0 477.432 5.465 40 0 JKABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223966907 569928843 /nfs/dbraw/zinc/92/88/43/569928843.db2.gz SEKDRBAGGIJFSF-GOSISDBHSA-N 0 0 477.432 5.465 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223969124 569928915 /nfs/dbraw/zinc/92/89/15/569928915.db2.gz PMPIRENONCSPLP-MRXNPFEDSA-N 0 0 497.463 5.842 40 0 JKABRN CCC1(CC)C[C@@H](NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c2ccccc2O1 ZINC000223973057 569928993 /nfs/dbraw/zinc/92/89/93/569928993.db2.gz KQZKTKDSGHLKCP-RUZDIDTESA-N 0 0 492.641 5.465 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc2Cl)cc1 ZINC000223972497 569929040 /nfs/dbraw/zinc/92/90/40/569929040.db2.gz YSTCFZKQYSQARX-UHFFFAOYSA-N 0 0 496.938 5.179 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223973564 569929099 /nfs/dbraw/zinc/92/90/99/569929099.db2.gz GXCIBQDMGKZRKK-LJQANCHMSA-N 0 0 481.434 5.478 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000223975833 569929110 /nfs/dbraw/zinc/92/91/10/569929110.db2.gz AARVLLMZQRAHOF-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000223975751 569929125 /nfs/dbraw/zinc/92/91/25/569929125.db2.gz HKDPSHUFEHDSGP-OAHLLOKOSA-N 0 0 451.369 5.151 40 0 JKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ncc(Cl)cc1Br ZINC000223975394 569929138 /nfs/dbraw/zinc/92/91/38/569929138.db2.gz OKYMQXVRPCEIFH-UHFFFAOYSA-N 0 0 459.240 5.949 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000223977026 569929165 /nfs/dbraw/zinc/92/91/65/569929165.db2.gz DAMGHVHJKCIFCB-HNNXBMFYSA-N 0 0 451.369 5.151 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223976244 569929166 /nfs/dbraw/zinc/92/91/66/569929166.db2.gz XPQMDJHUFQBLEY-AWEZNQCLSA-N 0 0 486.237 5.242 40 0 JKABRN Cc1ccccc1OCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223977269 569929186 /nfs/dbraw/zinc/92/91/86/569929186.db2.gz YPXUBPZYPCTVOV-KRWDZBQOSA-N 0 0 463.405 5.157 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000223978311 569929196 /nfs/dbraw/zinc/92/91/96/569929196.db2.gz RBFULKSSGHEDON-SANMLTNESA-N 0 0 460.643 5.253 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223977592 569929208 /nfs/dbraw/zinc/92/92/08/569929208.db2.gz ROHQYDLGVKJGJQ-HSZRJFAPSA-N 0 0 475.029 5.068 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 ZINC000223978794 569929228 /nfs/dbraw/zinc/92/92/28/569929228.db2.gz IASYNJMUNOMXOC-HHHXNRCGSA-N 0 0 474.670 5.395 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223978930 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Cc1c(Br)cnc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)c1Cl ZINC000224001656 569930016 /nfs/dbraw/zinc/93/00/16/569930016.db2.gz UDOGAJLXQQNOGC-UHFFFAOYSA-N 0 0 487.294 6.648 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc2ccccc21 ZINC000224003335 569930083 /nfs/dbraw/zinc/93/00/83/569930083.db2.gz FEIFIAOOMMLTOV-SFHVURJKSA-N 0 0 499.438 6.002 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1c1ccc2c(c1)OCO2 ZINC000224004483 569930160 /nfs/dbraw/zinc/93/01/60/569930160.db2.gz TZMJFRYLMZAGCG-RPWUZVMVSA-N 0 0 497.605 5.388 40 0 JKABRN S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1ncc(Br)cc1Cl ZINC000224014825 569930555 /nfs/dbraw/zinc/93/05/55/569930555.db2.gz GZMIWHOVCXXUJZ-UHFFFAOYSA-N 0 0 475.239 5.186 40 0 JKABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 ZINC000224006769 569930212 /nfs/dbraw/zinc/93/02/12/569930212.db2.gz COXPPWQCJAVODV-RPBOFIJWSA-N 0 0 454.555 5.087 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000224007561 569930228 /nfs/dbraw/zinc/93/02/28/569930228.db2.gz GUXCHTMZEAGDLP-MHZLTWQESA-N 0 0 458.602 5.012 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000224007509 569930253 /nfs/dbraw/zinc/93/02/53/569930253.db2.gz GUXCHTMZEAGDLP-HHHXNRCGSA-N 0 0 458.602 5.012 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 ZINC000224007693 569930261 /nfs/dbraw/zinc/93/02/61/569930261.db2.gz LZHLKSRPGMWRMV-NDEPHWFRSA-N 0 0 472.629 5.320 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl ZINC000224008589 569930285 /nfs/dbraw/zinc/93/02/85/569930285.db2.gz FTUSSDNMHLRKCI-INIZCTEOSA-N 0 0 481.851 6.056 40 0 JKABRN Fc1ccc(C2(CNC(=S)Nc3ccc(Sc4ccccc4)nc3)CCCCC2)cc1 ZINC000224009018 569930292 /nfs/dbraw/zinc/93/02/92/569930292.db2.gz KJYZHPPTRPRSOR-UHFFFAOYSA-N 0 0 451.636 6.560 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc2ccccc21 ZINC000224010405 569930318 /nfs/dbraw/zinc/93/03/18/569930318.db2.gz CPOVVCXXINRCHM-NDEPHWFRSA-N 0 0 480.608 5.385 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000224010780 569930336 /nfs/dbraw/zinc/93/03/36/569930336.db2.gz HWYBZVLOYBOEJI-SANMLTNESA-N 0 0 479.020 5.194 40 0 JKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1Cc1ccccc1 ZINC000224011058 569930348 /nfs/dbraw/zinc/93/03/48/569930348.db2.gz UBEJIBVXCJVSKR-KAYWLYCHSA-N 0 0 482.609 5.454 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1C1CCCC1 ZINC000224010186 569930351 /nfs/dbraw/zinc/93/03/51/569930351.db2.gz DTADCOVOLXNRTR-RPBOFIJWSA-N 0 0 460.603 5.521 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000224010342 569930360 /nfs/dbraw/zinc/93/03/60/569930360.db2.gz AKWRLLZFSJTTBV-LJQANCHMSA-N 0 0 497.466 6.555 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1F ZINC000224010591 569930363 /nfs/dbraw/zinc/93/03/63/569930363.db2.gz MUYNHBJZJVRYDJ-MRXNPFEDSA-N 0 0 497.463 5.842 40 0 JKABRN 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COC(=O)c1cc2cc(NC(=O)c3ccc(OC)c(COc4ccccc4OC)c3)ccc2s1 ZINC000224248491 569938074 /nfs/dbraw/zinc/93/80/74/569938074.db2.gz NBQLBIMLENGLPD-UHFFFAOYSA-N 0 0 477.538 5.536 40 0 JKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000224251245 569938112 /nfs/dbraw/zinc/93/81/12/569938112.db2.gz OVVWKAIVXUVDBA-DQEYMECFSA-N 0 0 460.002 6.789 40 0 JKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224251825 569938206 /nfs/dbraw/zinc/93/82/06/569938206.db2.gz ZCWKMNRTMMHDHS-SSEXGKCCSA-N 0 0 498.711 6.606 40 0 JKABRN COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)o2)cc1 ZINC000224255090 569938213 /nfs/dbraw/zinc/93/82/13/569938213.db2.gz SKJUUCMTQWAJGS-DQEYMECFSA-N 0 0 469.566 5.614 40 0 JKABRN Cc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224256249 569938265 /nfs/dbraw/zinc/93/82/65/569938265.db2.gz RBEUOTYZCCFBGF-HHHXNRCGSA-N 0 0 486.656 5.545 40 0 JKABRN COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)o2)c1 ZINC000224255298 569938272 /nfs/dbraw/zinc/93/82/72/569938272.db2.gz UDXPRENEDGKGGF-DQEYMECFSA-N 0 0 469.566 5.614 40 0 JKABRN Cc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224256196 569938306 /nfs/dbraw/zinc/93/83/06/569938306.db2.gz RBEUOTYZCCFBGF-MHZLTWQESA-N 0 0 486.656 5.545 40 0 JKABRN Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 ZINC000224258387 569938315 /nfs/dbraw/zinc/93/83/15/569938315.db2.gz WWNYRTCRSMEFNV-SANMLTNESA-N 0 0 493.047 5.582 40 0 JKABRN CC(C)(C)c1ccc(OCCNC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000224257235 569938360 /nfs/dbraw/zinc/93/83/60/569938360.db2.gz WJMJUFSHMUSCDJ-UHFFFAOYSA-N 0 0 456.380 5.474 40 0 JKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2nc3ccccc3s2)cc1C ZINC000224260204 569938368 /nfs/dbraw/zinc/93/83/68/569938368.db2.gz DMAYRDNFUUBLPY-LOSJGSFVSA-N 0 0 481.650 6.276 40 0 JKABRN COc1cccc(OCc2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc2OC)c1 ZINC000224259579 569938372 /nfs/dbraw/zinc/93/83/72/569938372.db2.gz NIZFZOMVYQVFHU-UHFFFAOYSA-N 0 0 465.855 6.207 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1Cc1cccnc1 ZINC000224259210 569938410 /nfs/dbraw/zinc/93/84/10/569938410.db2.gz KPLFQDYWVFXPFB-SXOMAYOGSA-N 0 0 467.642 5.737 40 0 JKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2nc3ccccc3s2)cc1C ZINC000224260256 569938411 /nfs/dbraw/zinc/93/84/11/569938411.db2.gz DMAYRDNFUUBLPY-JWQCQUIFSA-N 0 0 481.650 6.276 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1Cc1cccnc1 ZINC000224259250 569938415 /nfs/dbraw/zinc/93/84/15/569938415.db2.gz KPLFQDYWVFXPFB-RRPNLBNLSA-N 0 0 467.642 5.737 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1cccnc1 ZINC000224260588 569938431 /nfs/dbraw/zinc/93/84/31/569938431.db2.gz IPFSXJZYZOABCG-IZZNHLLZSA-N 0 0 453.615 5.678 40 0 JKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1Cc1ccco1 ZINC000224261061 569938432 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/nfs/dbraw/zinc/94/21/18/569942118.db2.gz LTZHPBBYBASTIC-NSOVKSMOSA-N 0 0 472.702 7.306 40 0 JKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000224369047 569942287 /nfs/dbraw/zinc/94/22/87/569942287.db2.gz PDDLAJXVBJDOIE-XMMPIXPASA-N 0 0 456.627 5.483 40 0 JKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000224369635 569942317 /nfs/dbraw/zinc/94/23/17/569942317.db2.gz PRLXZMBHSCBKAF-QHCPKHFHSA-N 0 0 495.035 5.718 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000224369326 569942320 /nfs/dbraw/zinc/94/23/20/569942320.db2.gz UYDQDVAFATZZDT-RUZDIDTESA-N 0 0 484.974 5.327 40 0 JKABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224373102 569942343 /nfs/dbraw/zinc/94/23/43/569942343.db2.gz DOKOPRDGFFYLNS-SFHVURJKSA-N 0 0 465.421 5.179 40 0 JKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C(C)C)cc1 ZINC000224374931 569942387 /nfs/dbraw/zinc/94/23/87/569942387.db2.gz 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Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)ccc1Cl ZINC000224378580 569942584 /nfs/dbraw/zinc/94/25/84/569942584.db2.gz UZTNYNVHAJLSEU-SVBPBHIXSA-N 0 0 487.072 7.135 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224380033 569942596 /nfs/dbraw/zinc/94/25/96/569942596.db2.gz RNLKABYYMXPFJK-GOSISDBHSA-N 0 0 463.449 5.678 40 0 JKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224379984 569942615 /nfs/dbraw/zinc/94/26/15/569942615.db2.gz RNLKABYYMXPFJK-SFHVURJKSA-N 0 0 463.449 5.678 40 0 JKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000224379977 569942626 /nfs/dbraw/zinc/94/26/26/569942626.db2.gz JURVPQQQYJNOLO-UIOOFZCWSA-N 0 0 474.029 7.296 40 0 JKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224380104 569942628 /nfs/dbraw/zinc/94/26/28/569942628.db2.gz XRCRNKFLTYYINX-LJQANCHMSA-N 0 0 477.476 6.239 40 0 JKABRN 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ZINC000224385701 569942789 /nfs/dbraw/zinc/94/27/89/569942789.db2.gz CMKDFUJLZNNFCK-OAHLLOKOSA-N 0 0 455.813 5.379 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1C ZINC000224384953 569942796 /nfs/dbraw/zinc/94/27/96/569942796.db2.gz VUDRGBLPLAECEB-GOSISDBHSA-N 0 0 465.421 5.179 40 0 JKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000224386232 569942810 /nfs/dbraw/zinc/94/28/10/569942810.db2.gz KORFHQOYMXQGFP-CQSZACIVSA-N 0 0 490.258 6.032 40 0 JKABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C(C)C)cc1 ZINC000224386289 569942813 /nfs/dbraw/zinc/94/28/13/569942813.db2.gz CUWQIJRBDFSHRE-SVBPBHIXSA-N 0 0 496.636 5.959 40 0 JKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000224385837 569942821 /nfs/dbraw/zinc/94/28/21/569942821.db2.gz ONMGCIPFJYUTMP-CQSZACIVSA-N 0 0 490.258 6.032 40 0 JKABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)cc1 ZINC000224386627 569942846 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570028543 /nfs/dbraw/zinc/02/85/43/570028543.db2.gz WDMXSKXDIIDXTA-UHFFFAOYSA-N 0 0 471.984 6.525 40 0 JKABRN C[C@H]1C[C@H](C)CN(c2cc(N3CCCCC3)nc(NC(=S)NCc3ccccc3Cl)n2)C1 ZINC000225936916 570028568 /nfs/dbraw/zinc/02/85/68/570028568.db2.gz LGATVSFZTOVERJ-ROUUACIJSA-N 0 0 473.090 5.089 40 0 JKABRN COc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000225937598 570028647 /nfs/dbraw/zinc/02/86/47/570028647.db2.gz HYUUQXHHNDZBJZ-UHFFFAOYSA-N 0 0 471.600 7.324 40 0 JKABRN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)Cc2ccccc2)c1 ZINC000225937381 570028663 /nfs/dbraw/zinc/02/86/63/570028663.db2.gz SRDXYMKMJNNKNS-UHFFFAOYSA-N 0 0 477.413 5.440 40 0 JKABRN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)Cc2ccccc2)c1 ZINC000225937407 570028666 /nfs/dbraw/zinc/02/86/66/570028666.db2.gz IGEBAAHHJGGGBA-UHFFFAOYSA-N 0 0 477.413 5.440 40 0 JKABRN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)Cc2ccccc2)c1 ZINC000225937335 570028670 /nfs/dbraw/zinc/02/86/70/570028670.db2.gz HRGYSLPHDOHPLL-UHFFFAOYSA-N 0 0 456.995 5.095 40 0 JKABRN C[C@@H]1CCCN(c2cc(N3Cc4ccccc4C3)nc(NC(=S)NCc3ccccc3Cl)n2)C1 ZINC000225937513 570028674 /nfs/dbraw/zinc/02/86/74/570028674.db2.gz YSGDBSNITDYPCL-GOSISDBHSA-N 0 0 493.080 5.373 40 0 JKABRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1Br ZINC000408729498 570028684 /nfs/dbraw/zinc/02/86/84/570028684.db2.gz BPHLUEWQYRRFJA-XWYWGPMTSA-N 0 0 472.382 5.502 40 0 JKABRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3cc(C)ccc3C)C(=O)[C@H]21 ZINC000408729324 570028692 /nfs/dbraw/zinc/02/86/92/570028692.db2.gz AXGRMDKMCRLJGF-HHPVDLARSA-N 0 0 463.533 5.134 40 0 JKABRN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)Cc2ccccc2)c1 ZINC000225938662 570028758 /nfs/dbraw/zinc/02/87/58/570028758.db2.gz XRTGWAGCMWLDAU-UHFFFAOYSA-N 0 0 498.648 5.400 40 0 JKABRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]32)cc1 ZINC000408729637 570028811 /nfs/dbraw/zinc/02/88/11/570028811.db2.gz 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C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 ZINC000225948336 570029266 /nfs/dbraw/zinc/02/92/66/570029266.db2.gz UKISNRAYFHVTEH-QGZVFWFLSA-N 0 0 451.571 5.131 40 0 JKABRN CC(C)C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000408732205 570029431 /nfs/dbraw/zinc/02/94/31/570029431.db2.gz PIOYXXWQGOLKLM-QFIPXVFZSA-N 0 0 489.955 5.029 40 0 JKABRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc(C)ccc4C)C(=O)[C@H]32)cc1 ZINC000408731986 570029436 /nfs/dbraw/zinc/02/94/36/570029436.db2.gz NTUVJLNETGZMIF-ACNFANBVSA-N 0 0 493.559 5.142 40 0 JKABRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc(C)ccc4C)C(=O)[C@@H]32)cc1 ZINC000408731988 570029463 /nfs/dbraw/zinc/02/94/63/570029463.db2.gz NTUVJLNETGZMIF-QTMWPNOBSA-N 0 0 493.559 5.142 40 0 JKABRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]21 ZINC000408732630 570029553 /nfs/dbraw/zinc/02/95/53/570029553.db2.gz STHXOZZDWZPPRF-XPNIBREUSA-N 0 0 469.924 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CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000408782782 570042173 /nfs/dbraw/zinc/04/21/73/570042173.db2.gz JKKIJVNDTGQYMY-UHFFFAOYSA-N 0 0 478.658 5.509 40 0 JKABRN CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000408783695 570042403 /nfs/dbraw/zinc/04/24/03/570042403.db2.gz OQAWNJXWZGGYQG-MZANGIHLSA-N 0 0 495.044 6.480 40 0 JKABRN CCOC(=O)COc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl ZINC000408786323 570043274 /nfs/dbraw/zinc/04/32/74/570043274.db2.gz PMIDQLBJFICZFI-IFNMQTAJSA-N 0 0 481.401 5.097 40 0 JKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)S2)cc1 ZINC000408789206 570043672 /nfs/dbraw/zinc/04/36/72/570043672.db2.gz KPOWKUQIFSJDEO-KLKBWYFJSA-N 0 0 495.044 6.398 40 0 JKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)S2)cc1 ZINC000408788793 570043684 /nfs/dbraw/zinc/04/36/84/570043684.db2.gz HESQOELDJYMAAE-IMUCPKNRSA-N 0 0 489.644 7.005 40 0 JKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)S2)cc1 ZINC000408791254 570043978 /nfs/dbraw/zinc/04/39/78/570043978.db2.gz XSGQNPRQYAFIFX-SCRHHBKZSA-N 0 0 499.007 6.229 40 0 JKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)S2)cc1 ZINC000408791389 570044013 /nfs/dbraw/zinc/04/40/13/570044013.db2.gz WXSCEAMYRXDBNE-PNZYDNNZSA-N 0 0 485.436 6.734 40 0 JKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)S2)cc1 ZINC000408791478 570044058 /nfs/dbraw/zinc/04/40/58/570044058.db2.gz ZEBFQOUUIJQKRO-PRLWALMFSA-N 0 0 453.611 6.160 40 0 JKABRN CCCCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c2ccccc12 ZINC000408799026 570044921 /nfs/dbraw/zinc/04/49/21/570044921.db2.gz JPSMJFLDXNECRJ-ZLNHBXDISA-N 0 0 499.700 8.073 40 0 JKABRN COc1cc(Br)c(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc1OC ZINC000408799790 570045130 /nfs/dbraw/zinc/04/51/30/570045130.db2.gz LELMZICZTHFDQA-UHFFFAOYSA-N 0 0 468.780 5.191 40 0 JKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000408800188 570045163 /nfs/dbraw/zinc/04/51/63/570045163.db2.gz NNXLPNTWVHECCK-UHFFFAOYSA-N 0 0 480.780 6.678 40 0 JKABRN CCOc1ccc2c(c1)[C@@H]1Oc3ccc(OCC)cc3[C@@H]3Oc4ccc(OCC)cc4[C@H](O2)N13 ZINC000230126876 570045191 /nfs/dbraw/zinc/04/51/91/570045191.db2.gz GEOHPUZDCZXFCE-QKDODKLFSA-N 0 0 461.514 5.758 40 0 JKABRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1OCC(C)C ZINC000408800661 570045478 /nfs/dbraw/zinc/04/54/78/570045478.db2.gz QKJPCRQXZXNHGJ-BQGVZHOESA-N 0 0 479.666 6.784 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1OCC(N)=O ZINC000408801133 570045583 /nfs/dbraw/zinc/04/55/83/570045583.db2.gz UDFWKUBCZXRMBI-ARKTWFBQSA-N 0 0 494.637 5.003 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1OCC(N)=O ZINC000408801135 570045585 /nfs/dbraw/zinc/04/55/85/570045585.db2.gz UDFWKUBCZXRMBI-QTDGQVDASA-N 0 0 494.637 5.003 40 0 JKABRN COc1ccc2ccccc2c1/C=C1\SC(Nc2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408801124 570045616 /nfs/dbraw/zinc/04/56/16/570045616.db2.gz TZIPVQSPMCTOME-ZCVXJRQFSA-N 0 0 457.619 6.902 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc(Br)c1O ZINC000408801354 570045719 /nfs/dbraw/zinc/04/57/19/570045719.db2.gz ADAXFDUWCGPDOH-UHFFFAOYSA-N 0 0 468.780 5.278 40 0 JKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000408801779 570046010 /nfs/dbraw/zinc/04/60/10/570046010.db2.gz BNHRJVCYYHDAMB-UHFFFAOYSA-N 0 0 460.362 6.333 40 0 JKABRN COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408802941 570046341 /nfs/dbraw/zinc/04/63/41/570046341.db2.gz JJKXCKSGTVNYRO-UHFFFAOYSA-N 0 0 483.972 6.138 40 0 JKABRN COc1cc(Cl)c(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000408802783 570046344 /nfs/dbraw/zinc/04/63/44/570046344.db2.gz HHWRMPLMVKPCCH-LCMSMHOWSA-N 0 0 472.030 6.411 40 0 JKABRN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)Cc5conc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000230402321 570046384 /nfs/dbraw/zinc/04/63/84/570046384.db2.gz KGRUVADREYTUHF-JWKSFHFVSA-N 0 0 493.732 7.663 40 0 JKABRN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000230430284 570046385 /nfs/dbraw/zinc/04/63/85/570046385.db2.gz MSPAROZJDWFINM-GFQSEFKGSA-N 0 0 491.377 5.771 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408803302 570046466 /nfs/dbraw/zinc/04/64/66/570046466.db2.gz NLDHEJKMSMWRDL-UHFFFAOYSA-N 0 0 467.517 5.705 40 0 JKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1Nc1ccccc1 ZINC000408805444 570047201 /nfs/dbraw/zinc/04/72/01/570047201.db2.gz KBKHUEJDQVJQGU-WFWAGITPSA-N 0 0 472.428 6.209 40 0 JKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408805538 570047340 /nfs/dbraw/zinc/04/73/40/570047340.db2.gz GKVNXAUXNIOGFM-UHFFFAOYSA-N 0 0 484.370 5.930 40 0 JKABRN CCOC(=O)COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408805654 570047352 /nfs/dbraw/zinc/04/73/52/570047352.db2.gz BLKXJNWFBAMONX-RBHHSZPYSA-N 0 0 479.622 5.683 40 0 JKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)SC1Nc1ccccc1 ZINC000408806821 570047814 /nfs/dbraw/zinc/04/78/14/570047814.db2.gz BWCUFAYCOWCVAU-IKEWTAEESA-N 0 0 466.630 7.375 40 0 JKABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 ZINC000408806823 570047828 /nfs/dbraw/zinc/04/78/28/570047828.db2.gz BVFKWZWEMHPEIB-UHFFFAOYSA-N 0 0 464.781 6.978 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408807126 570047869 /nfs/dbraw/zinc/04/78/69/570047869.db2.gz CBVVYKNFOZLDNE-IMRQLAEWSA-N 0 0 481.573 7.058 40 0 JKABRN CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000408807808 570048127 /nfs/dbraw/zinc/04/81/27/570048127.db2.gz OXYIXLJDLUXAJB-CZFFKGATSA-N 0 0 451.612 6.148 40 0 JKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)S1 ZINC000408808317 570048259 /nfs/dbraw/zinc/04/82/59/570048259.db2.gz FNIKXGYMZMBFEI-UHFFFAOYSA-N 0 0 499.971 5.838 40 0 JKABRN CC(C)COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c2ccccc12 ZINC000408808680 570048398 /nfs/dbraw/zinc/04/83/98/570048398.db2.gz JZIDIZQJVYWDLQ-DOOJXFSNSA-N 0 0 499.700 7.929 40 0 JKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)SC1Nc1ccccc1 ZINC000408808574 570048421 /nfs/dbraw/zinc/04/84/21/570048421.db2.gz MOFJWDFXKFGPNM-KKVJYACSSA-N 0 0 450.628 6.324 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1OCC(C)C ZINC000408809263 570048629 /nfs/dbraw/zinc/04/86/29/570048629.db2.gz REXLRGSWMSLUSB-CXIGVPOSSA-N 0 0 493.693 7.174 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408809959 570048804 /nfs/dbraw/zinc/04/88/04/570048804.db2.gz JPWDYTUYVUBKRU-HAHDFKILSA-N 0 0 479.985 6.867 40 0 JKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408809808 570048805 /nfs/dbraw/zinc/04/88/05/570048805.db2.gz JJHSZSPGLZKQPB-HMAPJEAMSA-N 0 0 483.948 6.698 40 0 JKABRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc(Cl)c1O ZINC000408810254 570048843 /nfs/dbraw/zinc/04/88/43/570048843.db2.gz ILLOEIGPIGFPHN-WFWAGITPSA-N 0 0 458.003 6.108 40 0 JKABRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc(Cl)c1O ZINC000408810251 570048852 /nfs/dbraw/zinc/04/88/52/570048852.db2.gz ILLOEIGPIGFPHN-WENSYSQISA-N 0 0 458.003 6.108 40 0 JKABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S1 ZINC000408810533 570048949 /nfs/dbraw/zinc/04/89/49/570048949.db2.gz TWWOQVXUIXGGCY-UHFFFAOYSA-N 0 0 458.994 6.414 40 0 JKABRN CCOC(=O)Oc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000408810849 570049067 /nfs/dbraw/zinc/04/90/67/570049067.db2.gz MZTYHAFQTZBGSM-CZFFKGATSA-N 0 0 495.621 6.285 40 0 JKABRN CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408811153 570049192 /nfs/dbraw/zinc/04/91/92/570049192.db2.gz KLKKGXFVDKMJAW-GDNBJRDFSA-N 0 0 483.181 5.851 40 0 JKABRN CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c2ccccc12 ZINC000408811646 570049258 /nfs/dbraw/zinc/04/92/58/570049258.db2.gz LRUARVSOPWDNOI-XEGDLUDSSA-N 0 0 471.646 7.293 40 0 JKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)S1 ZINC000408811825 570049355 /nfs/dbraw/zinc/04/93/55/570049355.db2.gz RTIVUZUMFGNFDD-UHFFFAOYSA-N 0 0 479.553 5.493 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000408811833 570049373 /nfs/dbraw/zinc/04/93/73/570049373.db2.gz RUHOFXPIKISAEF-UHFFFAOYSA-N 0 0 497.999 6.528 40 0 JKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 ZINC000408812333 570049437 /nfs/dbraw/zinc/04/94/37/570049437.db2.gz MSFWASJSXLNHBV-UHFFFAOYSA-N 0 0 474.046 6.412 40 0 JKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000408813467 570049725 /nfs/dbraw/zinc/04/97/25/570049725.db2.gz UJVLGGJZUSQCSO-UHFFFAOYSA-N 0 0 499.587 6.720 40 0 JKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)SC1Nc1ccccc1 ZINC000408813844 570049883 /nfs/dbraw/zinc/04/98/83/570049883.db2.gz 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Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)S1 ZINC000408816760 570050793 /nfs/dbraw/zinc/05/07/93/570050793.db2.gz ZEFZKDDSZPVWJC-UHFFFAOYSA-N 0 0 486.016 7.144 40 0 JKABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 ZINC000408817111 570050812 /nfs/dbraw/zinc/05/08/12/570050812.db2.gz VFKSOGFPJJOTTD-UHFFFAOYSA-N 0 0 464.781 6.978 40 0 JKABRN CN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C1=O ZINC000408817265 570050931 /nfs/dbraw/zinc/05/09/31/570050931.db2.gz VOFOZIVSKIDYMI-PXNMLYILSA-N 0 0 473.175 6.001 40 0 JKABRN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000408817636 570051095 /nfs/dbraw/zinc/05/10/95/570051095.db2.gz NQMLWJBBWPMPQT-IBGZPJMESA-N 0 0 499.778 5.425 40 0 JKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 ZINC000408818341 570051176 /nfs/dbraw/zinc/05/11/76/570051176.db2.gz VEPOHUMKPRIFHT-UHFFFAOYSA-N 0 0 451.955 5.691 40 0 JKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)S1 ZINC000408818478 570051303 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570098153 /nfs/dbraw/zinc/09/81/53/570098153.db2.gz QMKIYSJZVSBOBW-UHFFFAOYSA-N 0 0 490.984 5.016 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccc(Br)cc2)o1 ZINC000409006712 570098243 /nfs/dbraw/zinc/09/82/43/570098243.db2.gz KVHNCPLFUKDVOC-JTQLQIEISA-N 0 0 460.180 6.571 40 0 JKABRN CCOc1cc(OCC)c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Br ZINC000409007380 570098343 /nfs/dbraw/zinc/09/83/43/570098343.db2.gz PSPCGRGTNCFYGE-MOSHPQCFSA-N 0 0 476.392 5.526 40 0 JKABRN O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409007064 570098379 /nfs/dbraw/zinc/09/83/79/570098379.db2.gz NGXRVFKAQJNUMU-UHFFFAOYSA-N 0 0 493.894 6.205 40 0 JKABRN O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409007452 570098438 /nfs/dbraw/zinc/09/84/38/570098438.db2.gz QDDBVTNGDMSOLV-UHFFFAOYSA-N 0 0 497.926 5.930 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000409007705 570098530 /nfs/dbraw/zinc/09/85/30/570098530.db2.gz QVDZTBGEUXVSRR-JLPGSUDCSA-N 0 0 463.530 5.692 40 0 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COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000409012613 570100027 /nfs/dbraw/zinc/10/00/27/570100027.db2.gz QXIBLPCWRLAFKO-UDWIEESQSA-N 0 0 479.330 5.134 40 0 JKABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O ZINC000409013256 570100162 /nfs/dbraw/zinc/10/01/62/570100162.db2.gz TVUQGNHTYPUSLH-NWGMWSOJSA-N 0 0 489.977 5.306 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000409013436 570100303 /nfs/dbraw/zinc/10/03/03/570100303.db2.gz UZVISHBGDCLKBC-LPYMAVHISA-N 0 0 464.468 5.035 40 0 JKABRN O=C1N/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000409013749 570100372 /nfs/dbraw/zinc/10/03/72/570100372.db2.gz NYCPCEVJTBLERM-ODLFYWEKSA-N 0 0 491.172 5.640 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000409014005 570100479 /nfs/dbraw/zinc/10/04/79/570100479.db2.gz LOGHGFBTPKNFRI-SECBINFHSA-N 0 0 450.174 7.116 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409014214 570100527 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570178312 /nfs/dbraw/zinc/17/83/12/570178312.db2.gz NXLBCHGQNLCIIG-UDWIEESQSA-N 0 0 484.339 5.347 40 0 JKABRN Cc1ccc(CNC(=O)c2nc(-c3cnc(NCc4ccccc4)s3)n3ccccc23)cc1 ZINC000306134153 570178468 /nfs/dbraw/zinc/17/84/68/570178468.db2.gz NEPWZNFTEVSNJU-UHFFFAOYSA-N 0 0 453.571 5.308 40 0 JKABRN O=C(NCc1cccc(C(F)(F)F)c1)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306136363 570178599 /nfs/dbraw/zinc/17/85/99/570178599.db2.gz PRDLEUUKSMFEFM-JOCHJYFZSA-N 0 0 492.501 5.260 40 0 JKABRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)cc1 ZINC000409233144 570178625 /nfs/dbraw/zinc/17/86/25/570178625.db2.gz QYUQXODERLLAIV-MFKUBSTISA-N 0 0 456.542 6.374 40 0 JKABRN O=C(NCc1ccc(F)cc1)c1nc(-c2cnc(NCc3ccccc3)s2)n2ccccc12 ZINC000306142436 570178736 /nfs/dbraw/zinc/17/87/36/570178736.db2.gz WZGOOJGAXZVYSA-UHFFFAOYSA-N 0 0 457.534 5.139 40 0 JKABRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)c1 ZINC000409233619 570178841 /nfs/dbraw/zinc/17/88/41/570178841.db2.gz 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496.928 5.062 40 0 JKABRN CC(C)(C)Nc1nc(Nc2c(F)ccc(F)c2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328968461 570179861 /nfs/dbraw/zinc/17/98/61/570179861.db2.gz CZSRGCVNSDCKHA-UHFFFAOYSA-N 0 0 456.390 6.414 40 0 JKABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](CO)C(C)C)n1 ZINC000328967946 570179864 /nfs/dbraw/zinc/17/98/64/570179864.db2.gz CWNMOEQMARRIBG-HXUWFJFHSA-N 0 0 494.945 6.485 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(NCc3ccccc3Cl)nc(NC3CCCCC3)n2)c1 ZINC000328967299 570179870 /nfs/dbraw/zinc/17/98/70/570179870.db2.gz CTMAVGLEYNMXBV-UHFFFAOYSA-N 0 0 476.930 5.896 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O)Nc1ccccc1Cl ZINC000409236216 570179907 /nfs/dbraw/zinc/17/99/07/570179907.db2.gz DZDKRTLZTIZSMS-LPYMAVHISA-N 0 0 496.947 5.733 40 0 JKABRN Cc1cccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2Br)c1 ZINC000409236239 570179910 /nfs/dbraw/zinc/17/99/10/570179910.db2.gz FHVPIRUYACZMIJ-HYARGMPZSA-N 0 0 477.358 5.429 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(C)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328970870 570179942 /nfs/dbraw/zinc/17/99/42/570179942.db2.gz DNEGPXXFWBJAFN-AWEZNQCLSA-N 0 0 450.892 5.802 40 0 JKABRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cccc1C(F)(F)F ZINC000328971242 570179947 /nfs/dbraw/zinc/17/99/47/570179947.db2.gz DOLVESZZQFBEGU-UHFFFAOYSA-N 0 0 496.455 6.311 40 0 JKABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000409236568 570180025 /nfs/dbraw/zinc/18/00/25/570180025.db2.gz SWABDWLNWGHVNX-DEDYPNTBSA-N 0 0 498.029 5.647 40 0 JKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328972691 570180088 /nfs/dbraw/zinc/18/00/88/570180088.db2.gz DYAHXURPDRKFHZ-FQEVSTJZSA-N 0 0 494.945 6.485 40 0 JKABRN COC(=O)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cc1OC ZINC000328974216 570180190 /nfs/dbraw/zinc/18/01/90/570180190.db2.gz FEAHQMVFJYLMKN-UHFFFAOYSA-N 0 0 490.482 5.791 40 0 JKABRN COC(=O)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cc1 ZINC000328974952 570180196 /nfs/dbraw/zinc/18/01/96/570180196.db2.gz FIKQAQNVYJZAIF-UHFFFAOYSA-N 0 0 460.456 5.783 40 0 JKABRN Fc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c1F ZINC000328976300 570180245 /nfs/dbraw/zinc/18/02/45/570180245.db2.gz FNYQKOUTAWPCSL-UHFFFAOYSA-N 0 0 450.411 5.262 40 0 JKABRN Fc1cc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc(F)c1Br ZINC000328976868 570180313 /nfs/dbraw/zinc/18/03/13/570180313.db2.gz FQOUOZAGTDTPTL-UHFFFAOYSA-N 0 0 464.619 6.022 40 0 JKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328975198 570180319 /nfs/dbraw/zinc/18/03/19/570180319.db2.gz FJSUQYCFNOCYRD-LJQANCHMSA-N 0 0 484.881 6.007 40 0 JKABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000409237538 570180490 /nfs/dbraw/zinc/18/04/90/570180490.db2.gz XGXMIJVJKFFTJJ-QGZVFWFLSA-N 0 0 491.440 5.282 40 0 JKABRN Ic1ccccc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000328983638 570180474 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CC[C@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328997325 570180975 /nfs/dbraw/zinc/18/09/75/570180975.db2.gz JOYVFPFOSYWXAB-ZDUSSCGKSA-N 0 0 484.444 6.167 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C1=O ZINC000409238997 570181019 /nfs/dbraw/zinc/18/10/19/570181019.db2.gz YEOFSZMMIRTSJZ-CPNJWEJPSA-N 0 0 462.365 5.101 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409239189 570181128 /nfs/dbraw/zinc/18/11/28/570181128.db2.gz GWAHPFKSULHYFH-DEDYPNTBSA-N 0 0 461.967 5.309 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329004839 570181246 /nfs/dbraw/zinc/18/12/46/570181246.db2.gz KUVFICVECUJZBS-GFCCVEGCSA-N 0 0 471.310 6.147 40 0 JKABRN COc1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329006304 570181322 /nfs/dbraw/zinc/18/13/22/570181322.db2.gz LCRYPQVMZWDAGN-UHFFFAOYSA-N 0 0 492.929 6.036 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccc(Cl)c(C(F)(F)F)c3)nc(NC3CC3)n2)c1 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CC(C)[C@H](CO)Nc1nc(Nc2c(F)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069441 570183806 /nfs/dbraw/zinc/18/38/06/570183806.db2.gz YXZXUHYCVRTHBE-SFHVURJKSA-N 0 0 484.881 6.007 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069077 570183830 /nfs/dbraw/zinc/18/38/30/570183830.db2.gz YUPQODQSESBGGR-UHFFFAOYSA-N 0 0 481.316 6.759 40 0 JKABRN CC(C)[C@@H](CO)Nc1nc(Nc2c(F)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069440 570183832 /nfs/dbraw/zinc/18/38/32/570183832.db2.gz YXZXUHYCVRTHBE-GOSISDBHSA-N 0 0 484.881 6.007 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329070515 570183855 /nfs/dbraw/zinc/18/38/55/570183855.db2.gz ZHBRXTZQSMBOCO-GFCCVEGCSA-N 0 0 455.406 5.374 40 0 JKABRN CC(C)(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329071968 570183942 /nfs/dbraw/zinc/18/39/42/570183942.db2.gz ZUEFMHXGXMSVNQ-UHFFFAOYSA-N 0 0 486.416 6.895 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329071221 570183973 /nfs/dbraw/zinc/18/39/73/570183973.db2.gz ZNTMMQDUONMOKE-LBPRGKRZSA-N 0 0 455.406 5.374 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2c(F)cc(F)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329070973 570184048 /nfs/dbraw/zinc/18/40/48/570184048.db2.gz ZMQCYDLPJAJJNX-NSHDSACASA-N 0 0 456.390 5.257 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)C1=O ZINC000409245639 570184060 /nfs/dbraw/zinc/18/40/60/570184060.db2.gz WWNOOELHYLVNJY-LICLKQGHSA-N 0 0 484.774 6.267 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000409245664 570184063 /nfs/dbraw/zinc/18/40/63/570184063.db2.gz XGSWZOLQLCWUQC-XDHOZWIPSA-N 0 0 473.367 5.038 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409245719 570184079 /nfs/dbraw/zinc/18/40/79/570184079.db2.gz YDQAMUFSECPQNC-DEDYPNTBSA-N 0 0 496.412 6.044 40 0 JKABRN Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000409246112 570184198 /nfs/dbraw/zinc/18/41/98/570184198.db2.gz 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COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409247265 570184662 /nfs/dbraw/zinc/18/46/62/570184662.db2.gz LUPFBPIBGSPWLV-SSDVNMTOSA-N 0 0 497.378 5.982 40 0 JKABRN Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C2=O)c1 ZINC000409247066 570184687 /nfs/dbraw/zinc/18/46/87/570184687.db2.gz GCJJHKSIPDMVMG-NDENLUEZSA-N 0 0 451.320 5.419 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409247171 570184713 /nfs/dbraw/zinc/18/47/13/570184713.db2.gz CHSHVCWWPAGOCX-LPYMAVHISA-N 0 0 480.923 5.550 40 0 JKABRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000409247326 570184715 /nfs/dbraw/zinc/18/47/15/570184715.db2.gz MUPCTFWYEHVNSN-XDHOZWIPSA-N 0 0 494.382 6.012 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O)Nc1cccc(F)c1 ZINC000409248268 570184914 /nfs/dbraw/zinc/18/49/14/570184914.db2.gz OUADVZOVOFMFSR-WSDLNYQXSA-N 0 0 480.492 5.219 40 0 JKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br ZINC000409248079 570184929 /nfs/dbraw/zinc/18/49/29/570184929.db2.gz JVSRHVWHRCBWEL-OTGIAGGSSA-N 0 0 480.811 6.516 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409248293 570185030 /nfs/dbraw/zinc/18/50/30/570185030.db2.gz PHHCFMOWYMKLLA-UHFFFAOYSA-N 0 0 463.386 5.043 40 0 JKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000409248629 570185048 /nfs/dbraw/zinc/18/50/48/570185048.db2.gz LQIRGJKRLJIKFZ-LPYMAVHISA-N 0 0 495.348 5.569 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409248584 570185063 /nfs/dbraw/zinc/18/50/63/570185063.db2.gz HESFUJNBCMDVRN-KGENOOAVSA-N 0 0 475.994 5.699 40 0 JKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409248742 570185223 /nfs/dbraw/zinc/18/52/23/570185223.db2.gz IIUKSAKNNOKLKK-DEDYPNTBSA-N 0 0 451.935 5.114 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O)Nc1cccc(F)c1 ZINC000409249103 570185292 /nfs/dbraw/zinc/18/52/92/570185292.db2.gz MQSLIWNKBWDMJM-WSDLNYQXSA-N 0 0 480.492 5.219 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409249311 570185316 /nfs/dbraw/zinc/18/53/16/570185316.db2.gz KBOVDTXRHCJRTM-SFHVURJKSA-N 0 0 456.995 5.259 40 0 JKABRN CCc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409249157 570185320 /nfs/dbraw/zinc/18/53/20/570185320.db2.gz SMJXEEXDVCLEAO-HXUWFJFHSA-N 0 0 450.604 5.168 40 0 JKABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000409249259 570185339 /nfs/dbraw/zinc/18/53/39/570185339.db2.gz JYJTTXWNRJHJPG-HAHDFKILSA-N 0 0 490.606 5.830 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409249714 570185390 /nfs/dbraw/zinc/18/53/90/570185390.db2.gz LCTQQRMLPSHWIT-PCLIKHOPSA-N 0 0 498.966 6.568 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409249456 570185447 /nfs/dbraw/zinc/18/54/47/570185447.db2.gz JEYDKDYPHCZDJI-YDZHTSKRSA-N 0 0 476.960 5.637 40 0 JKABRN CCCOc1c(Br)cc(CNc2ccc(Br)c(Cl)c2)cc1OC ZINC000391590472 570185488 /nfs/dbraw/zinc/18/54/88/570185488.db2.gz MGSPPNOKKUKPLV-UHFFFAOYSA-N 0 0 463.597 6.275 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000409250032 570185512 /nfs/dbraw/zinc/18/55/12/570185512.db2.gz PIZYROMISUZQBF-WMRWHDLOSA-N 0 0 499.995 5.010 40 0 JKABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000409250251 570185620 /nfs/dbraw/zinc/18/56/20/570185620.db2.gz MUBLKMQEIRDGBR-MFKUBSTISA-N 0 0 497.576 5.373 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409250786 570185804 /nfs/dbraw/zinc/18/58/04/570185804.db2.gz NYIKDRFFHLFFLD-LPYMAVHISA-N 0 0 462.933 5.329 40 0 JKABRN Cc1cccc(Cn2cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c3ccccc32)c1 ZINC000409250788 570185808 /nfs/dbraw/zinc/18/58/08/570185808.db2.gz YEECVCGFFJAEMT-DHRITJCHSA-N 0 0 499.567 5.812 40 0 JKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(I)c2)C1=O ZINC000409251003 570185820 /nfs/dbraw/zinc/18/58/20/570185820.db2.gz SMHMMCJOGMMPAN-WOJGMQOQSA-N 0 0 497.329 5.456 40 0 JKABRN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409251978 570186020 /nfs/dbraw/zinc/18/60/20/570186020.db2.gz RODOMVZXBVYFSL-RQZCQDPDSA-N 0 0 469.752 5.537 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409251945 570186045 /nfs/dbraw/zinc/18/60/45/570186045.db2.gz RHGWQYJPKXEXKP-CIAFOILYSA-N 0 0 483.351 5.987 40 0 JKABRN CCOc1cc(CNc2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409252549 570186167 /nfs/dbraw/zinc/18/61/67/570186167.db2.gz TXBSVFZEOYFBSR-UHFFFAOYSA-N 0 0 469.379 5.786 40 0 JKABRN CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409252659 570186188 /nfs/dbraw/zinc/18/61/88/570186188.db2.gz UKPXUYKGLMHUHC-UHFFFAOYSA-N 0 0 487.427 6.893 40 0 JKABRN Cc1ccc(COc2c(Cl)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000409253208 570186302 /nfs/dbraw/zinc/18/63/02/570186302.db2.gz ZCCSHIJQRLTDAQ-CIAFOILYSA-N 0 0 487.770 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477.413 5.122 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408547552 570193801 /nfs/dbraw/zinc/19/38/01/570193801.db2.gz ZRJPHOAMTDNGRD-UHFFFAOYSA-N 0 0 471.022 5.825 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408547612 570193839 /nfs/dbraw/zinc/19/38/39/570193839.db2.gz JXKOAWXHZFIEIP-UHFFFAOYSA-N 0 0 497.831 5.467 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCC(C)C)ccc2C)cc1C ZINC000408547838 570193979 /nfs/dbraw/zinc/19/39/79/570193979.db2.gz NQHZKSDFWBIBCH-UHFFFAOYSA-N 0 0 493.629 5.051 40 0 JKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cc2)cc1 ZINC000408549015 570194500 /nfs/dbraw/zinc/19/45/00/570194500.db2.gz VRFISXPUVFHURM-UHFFFAOYSA-N 0 0 480.633 6.512 40 0 JKABRN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000408550389 570194860 /nfs/dbraw/zinc/19/48/60/570194860.db2.gz DGXTUMGNGUDEQB-UHFFFAOYSA-N 0 0 499.803 5.386 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OCc1ccc(C)cc1 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CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 ZINC000408553554 570195899 /nfs/dbraw/zinc/19/58/99/570195899.db2.gz AHJQGQUMAUGMPO-DEOSSOPVSA-N 0 0 457.954 6.235 40 0 JKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Br)c2)cc1 ZINC000408553595 570195900 /nfs/dbraw/zinc/19/59/00/570195900.db2.gz AUWHZOGVWCXXEU-UHFFFAOYSA-N 0 0 485.378 5.486 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1NC(=O)c1ccccc1F ZINC000408553922 570195982 /nfs/dbraw/zinc/19/59/82/570195982.db2.gz AASZZRIWKVEDPL-UHFFFAOYSA-N 0 0 492.528 5.680 40 0 JKABRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2[C@H]2SCC(=O)N2c2ccc(Cl)cc2)c1 ZINC000408553874 570196012 /nfs/dbraw/zinc/19/60/12/570196012.db2.gz BQHOAOXTEAIFNV-XMMPIXPASA-N 0 0 487.408 6.098 40 0 JKABRN CCOc1c(Br)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br ZINC000408554165 570196065 /nfs/dbraw/zinc/19/60/65/570196065.db2.gz BTAMQKZWQICMOA-KRWDZBQOSA-N 0 0 491.632 6.042 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)Cc2ccccc2)cc1C ZINC000408554007 570196076 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CCOc1cc(C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408554210 570196181 /nfs/dbraw/zinc/19/61/81/570196181.db2.gz QSKHNIUITPWEAF-UHFFFAOYSA-N 0 0 454.364 6.296 40 0 JKABRN O=C(COc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000408554214 570196217 /nfs/dbraw/zinc/19/62/17/570196217.db2.gz BWWMYUZFFQFHLU-HSZRJFAPSA-N 0 0 473.381 5.790 40 0 JKABRN O=C1CS[C@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)N1c1ccc(Cl)cc1 ZINC000408554499 570196321 /nfs/dbraw/zinc/19/63/21/570196321.db2.gz FESVQYBPHRQIFN-XMMPIXPASA-N 0 0 453.394 6.775 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1NC(=O)c1ccccc1F ZINC000408554574 570196342 /nfs/dbraw/zinc/19/63/42/570196342.db2.gz CIKYUHHRMCAMGR-UHFFFAOYSA-N 0 0 464.518 5.431 40 0 JKABRN COc1cc(C(=O)Nc2cccc(O)c2)cc(I)c1OCc1ccc(C)cc1 ZINC000408554651 570196446 /nfs/dbraw/zinc/19/64/46/570196446.db2.gz SOGSHDCNRPKNTA-UHFFFAOYSA-N 0 0 489.309 5.145 40 0 JKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Br)c2)cc1 ZINC000408554857 570196427 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CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(SCC(=O)c5ccccc5)nc4nc3C2)cc1 ZINC000020671745 195198696 /nfs/dbraw/zinc/19/86/96/195198696.db2.gz SIWCNDTYXWGIDQ-FQEVSTJZSA-N 0 0 456.571 5.135 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1-c1ccc(F)cc1 ZINC000020672726 195198741 /nfs/dbraw/zinc/19/87/41/195198741.db2.gz WKRADNCQJBAARR-UHFFFAOYSA-N 0 0 467.504 5.846 40 0 JKABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(Br)cc5)nc4nc3C2)cc1 ZINC000020671652 195198744 /nfs/dbraw/zinc/19/87/44/195198744.db2.gz YFBTXPOJCUNSLY-MRXNPFEDSA-N 0 0 495.402 5.100 40 0 JKABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C)c1-c1ccc(Cl)cc1 ZINC000020672705 195198785 /nfs/dbraw/zinc/19/87/85/195198785.db2.gz LTCPXDGEBDVHSG-UHFFFAOYSA-N 0 0 459.859 5.587 40 0 JKABRN CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(CC)nn2c1CSc1ccc(C)cc1 ZINC000020797720 195226481 /nfs/dbraw/zinc/22/64/81/195226481.db2.gz OUCCWYAUNYXSEP-UHFFFAOYSA-N 0 0 450.539 5.270 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2cccc3ccccc32)[C@@H](C(=O)OCC)C1=O ZINC000020801950 195227189 /nfs/dbraw/zinc/22/71/89/195227189.db2.gz ANOVXIQBQKLWGZ-JWQCQUIFSA-N 0 0 455.558 5.495 40 0 JKABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)OCC)C1=O ZINC000020801994 195227451 /nfs/dbraw/zinc/22/74/51/195227451.db2.gz WXDXHHHJTHBFCC-LEWJYISDSA-N 0 0 474.388 5.649 40 0 JKABRN Clc1ccc(-c2nnc(SCc3ccc(I)cc3)o2)c(Cl)c1 ZINC000020759815 195217208 /nfs/dbraw/zinc/21/72/08/195217208.db2.gz FURVCGCISNFBSE-UHFFFAOYSA-N 0 0 463.127 5.940 40 0 JKABRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc21 ZINC000020765701 195221043 /nfs/dbraw/zinc/22/10/43/195221043.db2.gz DUGMJFBKKWFPDB-UHFFFAOYSA-N 0 0 461.370 5.387 40 0 JKABRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000020765704 195221111 /nfs/dbraw/zinc/22/11/11/195221111.db2.gz LOLFNAMSEMKCIR-UHFFFAOYSA-N 0 0 461.370 5.387 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cccc5ccccc54)ccc32)cc1 ZINC000020766023 195221418 /nfs/dbraw/zinc/22/14/18/195221418.db2.gz XWKIILHYOGTGMR-UHFFFAOYSA-N 0 0 456.567 5.542 40 0 JKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Cl)cc4C)ccc32)cc1 ZINC000020766057 195221465 /nfs/dbraw/zinc/22/14/65/195221465.db2.gz BGOCJJKQTKBYGB-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000020766465 195221574 /nfs/dbraw/zinc/22/15/74/195221574.db2.gz OBYLJUKZGVJFHS-UHFFFAOYSA-N 0 0 495.815 6.041 40 0 JKABRN O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 ZINC000020766427 195221762 /nfs/dbraw/zinc/22/17/62/195221762.db2.gz NPZYLXUWLLVTRG-UHFFFAOYSA-N 0 0 461.370 5.387 40 0 JKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766820 195222107 /nfs/dbraw/zinc/22/21/07/195222107.db2.gz NAFSHLBUDNPJEY-UHFFFAOYSA-N 0 0 458.942 5.181 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000020767142 195222397 /nfs/dbraw/zinc/22/23/97/195222397.db2.gz KVTJTRDBAGAHQF-UHFFFAOYSA-N 0 0 454.979 5.351 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1C 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AXRTVHMPICQQGI-UHFFFAOYSA-N 0 0 461.027 5.324 40 0 JKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000020788417 195225367 /nfs/dbraw/zinc/22/53/67/195225367.db2.gz DOLAZSIMEDMOBM-UHFFFAOYSA-N 0 0 472.614 5.604 40 0 JKABRN COc1ccccc1[C@H]1CC(=O)c2cn3nc(SCc4cccc5ccccc54)nc3nc2C1 ZINC000020796458 195225738 /nfs/dbraw/zinc/22/57/38/195225738.db2.gz BFJMVNXSTOBZBO-LJQANCHMSA-N 0 0 466.566 5.491 40 0 JKABRN O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000020796349 195225766 /nfs/dbraw/zinc/22/57/66/195225766.db2.gz LWOPDJDHRPCOTD-OAHLLOKOSA-N 0 0 499.821 5.745 40 0 JKABRN O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4cccc5ccccc54)nn3cc21 ZINC000020796234 195225912 /nfs/dbraw/zinc/22/59/12/195225912.db2.gz XTUNDKJPONATPE-IBGZPJMESA-N 0 0 470.985 6.136 40 0 JKABRN COc1ccccc1[C@H]1CC(=O)c2cn3nc(SCc4ccc(Br)cc4)nc3nc2C1 ZINC000020796561 195226010 /nfs/dbraw/zinc/22/60/10/195226010.db2.gz WVDGYOHFWOVWSV-OAHLLOKOSA-N 0 0 495.402 5.100 40 0 JKABRN CCOc1cc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000020797566 195226060 /nfs/dbraw/zinc/22/60/60/195226060.db2.gz DOGBSSUSHPZHHU-DEOSSOPVSA-N 0 0 474.948 5.722 40 0 JKABRN COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCc4ccc(Br)cc4)nc3nc2C1 ZINC000020796558 195226070 /nfs/dbraw/zinc/22/60/70/195226070.db2.gz WVDGYOHFWOVWSV-HNNXBMFYSA-N 0 0 495.402 5.100 40 0 JKABRN CCOc1cc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000020797562 195226095 /nfs/dbraw/zinc/22/60/95/195226095.db2.gz DOGBSSUSHPZHHU-XMMPIXPASA-N 0 0 474.948 5.722 40 0 JKABRN O=C1c2ccccc2-c2nc(Nc3ccc(Cl)cc3Cl)nc(-c3ccc(Cl)cc3)c21 ZINC000020798095 195226417 /nfs/dbraw/zinc/22/64/17/195226417.db2.gz KBTLXJAKUDTOPC-UHFFFAOYSA-N 0 0 452.728 7.059 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(SC)cc2)cc1 ZINC000020970041 195257385 /nfs/dbraw/zinc/25/73/85/195257385.db2.gz HLXYSBDRMCZEOF-VWLOTQADSA-N 0 0 454.599 6.248 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(Br)c2)cc1 ZINC000020970110 195257393 /nfs/dbraw/zinc/25/73/93/195257393.db2.gz FDLJEERJZXWOSI-DEOSSOPVSA-N 0 0 487.401 6.289 40 0 JKABRN O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000020968871 195257397 /nfs/dbraw/zinc/25/73/97/195257397.db2.gz QVEAIXOBWPMQQT-UHFFFAOYSA-N 0 0 480.392 7.110 40 0 JKABRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(CC)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970054 195257464 /nfs/dbraw/zinc/25/74/64/195257464.db2.gz SWGLBWWEKQMCGQ-AREMUKBSSA-N 0 0 452.558 5.925 40 0 JKABRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 ZINC000020969950 195257472 /nfs/dbraw/zinc/25/74/72/195257472.db2.gz CXFJBYTUFOYTFQ-JOCHJYFZSA-N 0 0 477.337 5.866 40 0 JKABRN CSc1ccc([C@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970417 195257609 /nfs/dbraw/zinc/25/76/09/195257609.db2.gz YNNOBZPJVYRKNK-QHCPKHFHSA-N 0 0 460.990 6.339 40 0 JKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000020970195 195257633 /nfs/dbraw/zinc/25/76/33/195257633.db2.gz CLCXASKMAGHQOC-AREMUKBSSA-N 0 0 468.557 5.544 40 0 JKABRN COc1ccc([C@@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)cc1OC ZINC000020970446 195257686 /nfs/dbraw/zinc/25/76/86/195257686.db2.gz CLEQPSNNVDAORG-XMMPIXPASA-N 0 0 474.948 5.635 40 0 JKABRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(SC)cc2)cc1 ZINC000020970248 195257742 /nfs/dbraw/zinc/25/77/42/195257742.db2.gz BZZSNRXILHFNCI-XMMPIXPASA-N 0 0 456.571 5.694 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cc(OC)ccc1OC ZINC000021005598 195265606 /nfs/dbraw/zinc/26/56/06/195265606.db2.gz FALMZQMTBTZQOW-VWLOTQADSA-N 0 0 455.514 5.043 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000021005589 195265676 /nfs/dbraw/zinc/26/56/76/195265676.db2.gz YWCBSKOTHYEQIM-RUZDIDTESA-N 0 0 455.514 5.043 40 0 JKABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3nc4ccccc4n32)cc1OC ZINC000021005517 195265751 /nfs/dbraw/zinc/26/57/51/195265751.db2.gz XNOOLEPLJPXNDR-DEOSSOPVSA-N 0 0 474.948 5.635 40 0 JKABRN CCOc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000021005526 195265840 /nfs/dbraw/zinc/26/58/40/195265840.db2.gz MPCPEISHFGQSAF-XMMPIXPASA-N 0 0 458.949 6.016 40 0 JKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1OC ZINC000021005595 195265850 /nfs/dbraw/zinc/26/58/50/195265850.db2.gz SACZSYIPJFMKGE-VWLOTQADSA-N 0 0 455.514 5.043 40 0 JKABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000021005632 195265961 /nfs/dbraw/zinc/26/59/61/195265961.db2.gz KYNNIAVAFRVCEX-XMMPIXPASA-N 0 0 459.933 5.688 40 0 JKABRN CCOC(=O)C1C(c2ccc(F)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 ZINC000021005759 195265989 /nfs/dbraw/zinc/26/59/89/195265989.db2.gz CHPXMEBKWJQAGR-DEOSSOPVSA-N 0 0 459.546 5.887 40 0 JKABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 ZINC000021005709 195266014 /nfs/dbraw/zinc/26/60/14/195266014.db2.gz PPNZXQHTYYXXCS-MHZLTWQESA-N 0 0 467.569 6.158 40 0 JKABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1cc(OC)ccc1OC ZINC000021005676 195266022 /nfs/dbraw/zinc/26/60/22/195266022.db2.gz XWZCHGSGAVCWRZ-SANMLTNESA-N 0 0 485.540 5.051 40 0 JKABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 ZINC000021005695 195266038 /nfs/dbraw/zinc/26/60/38/195266038.db2.gz CGIPKRSLVNRMAH-VWLOTQADSA-N 0 0 455.514 5.043 40 0 JKABRN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)c3nc4ccccc4n32)cc1 ZINC000021005861 195266417 /nfs/dbraw/zinc/26/64/17/195266417.db2.gz KDYOZIBQRWYDKX-AREMUKBSSA-N 0 0 477.568 5.239 40 0 JKABRN O=C(c1ccccc1OC[C@H]1Nc2ccccc2C(=O)N1c1ccccc1Cl)N1CCCC1 ZINC000021085558 195273815 /nfs/dbraw/zinc/27/38/15/195273815.db2.gz NUMGTMVTPQWMRG-DEOSSOPVSA-N 0 0 461.949 5.053 40 0 JKABRN O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)Nc1c(Cl)cccc1Cl ZINC000021085505 195273817 /nfs/dbraw/zinc/27/38/17/195273817.db2.gz VNYJJDFMAUSLJG-UHFFFAOYSA-N 0 0 494.469 6.853 40 0 JKABRN O=C(CSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1)Nc1ccc(F)cc1 ZINC000021118059 195279325 /nfs/dbraw/zinc/27/93/25/195279325.db2.gz DDIKYSGMKRKHBJ-UHFFFAOYSA-N 0 0 484.603 5.292 40 0 JKABRN Cc1ccc2nc(N3CN(C[C@H]4CCCO4)CN(c4nc5ccc(C)cc5s4)C3)sc2c1 ZINC000021123015 195279516 /nfs/dbraw/zinc/27/95/16/195279516.db2.gz MDZVORZOZSJGSG-GOSISDBHSA-N 0 0 465.648 5.203 40 0 JKABRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000021123617 195279556 /nfs/dbraw/zinc/27/95/56/195279556.db2.gz AKXZYBTZDQEVFU-RGVLZGJSSA-N 0 0 487.603 5.968 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3)CC2)cc1 ZINC000021124047 195279854 /nfs/dbraw/zinc/27/98/54/195279854.db2.gz HSRKIEZKTGPWDN-UHFFFAOYSA-N 0 0 455.602 5.587 40 0 JKABRN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1 ZINC000021123774 195279942 /nfs/dbraw/zinc/27/99/42/195279942.db2.gz SPYNLFDRVJZRHB-UHFFFAOYSA-N 0 0 458.002 5.076 40 0 JKABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000021123681 195279984 /nfs/dbraw/zinc/27/99/84/195279984.db2.gz WPBIJVSXSQDFGQ-UHFFFAOYSA-N 0 0 456.314 5.672 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)ccc1Cl ZINC000021124196 195280112 /nfs/dbraw/zinc/28/01/12/195280112.db2.gz APSLADBMRWQRHV-VGOFMYFVSA-N 0 0 490.003 5.028 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000021124367 195280123 /nfs/dbraw/zinc/28/01/23/195280123.db2.gz DRMAHRKJVYYOTG-IZZDOVSWSA-N 0 0 460.405 5.340 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000021124348 195280136 /nfs/dbraw/zinc/28/01/36/195280136.db2.gz QNBMXZXQGFDYBL-UHFFFAOYSA-N 0 0 492.447 5.484 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)CC2)cc1 ZINC000021124073 195280257 /nfs/dbraw/zinc/28/02/57/195280257.db2.gz NXEFLWJRXIXHHM-UHFFFAOYSA-N 0 0 482.411 5.771 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000021124732 195280368 /nfs/dbraw/zinc/28/03/68/195280368.db2.gz RVTUCMPYOZNOCH-FNORWQNLSA-N 0 0 482.352 6.072 40 0 JKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000021124454 195280432 /nfs/dbraw/zinc/28/04/32/195280432.db2.gz OWJKBBSOOIGPMB-UHFFFAOYSA-N 0 0 456.030 5.585 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 ZINC000021124791 195280675 /nfs/dbraw/zinc/28/06/75/195280675.db2.gz VZPDATDOCBBGRC-UHFFFAOYSA-N 0 0 485.672 5.756 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)CC2)cc1 ZINC000021124817 195280697 /nfs/dbraw/zinc/28/06/97/195280697.db2.gz WCUUXPSORGVFLA-UHFFFAOYSA-N 0 0 485.628 5.499 40 0 JKABRN C[C@@H]1C[C@@H](N(C(=O)Cc2cccs2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000021266907 195292329 /nfs/dbraw/zinc/29/23/29/195292329.db2.gz NMTDQLANXJBNFK-NTKDMRAZSA-N 0 0 456.567 6.097 40 0 JKABRN C[C@H]1C[C@H](N(C(=O)Cc2cccs2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000021266918 195292386 /nfs/dbraw/zinc/29/23/86/195292386.db2.gz NMTDQLANXJBNFK-CYFREDJKSA-N 0 0 456.567 6.097 40 0 JKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000021305673 195293634 /nfs/dbraw/zinc/29/36/34/195293634.db2.gz OUIAEYFRXKPWNM-UHFFFAOYSA-N 0 0 485.776 5.709 40 0 JKABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000021306111 195293686 /nfs/dbraw/zinc/29/36/86/195293686.db2.gz QLPASXCUCHIEPS-HNNXBMFYSA-N 0 0 479.385 5.509 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000021305758 195293715 /nfs/dbraw/zinc/29/37/15/195293715.db2.gz CANFXCHTOBXQPD-UHFFFAOYSA-N 0 0 497.403 6.714 40 0 JKABRN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1OC ZINC000021305926 195293751 /nfs/dbraw/zinc/29/37/51/195293751.db2.gz FFISNWSXUMCUKL-UHFFFAOYSA-N 0 0 481.357 5.064 40 0 JKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000021306121 195293761 /nfs/dbraw/zinc/29/37/61/195293761.db2.gz ZKPMWGOIQZXOKG-MRXNPFEDSA-N 0 0 493.412 5.817 40 0 JKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(F)cc(Br)cc1Br ZINC000021303394 195293781 /nfs/dbraw/zinc/29/37/81/195293781.db2.gz UIOHEFLCZSSPFU-NSHDSACASA-N 0 0 467.132 5.910 40 0 JKABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584880 195351044 /nfs/dbraw/zinc/35/10/44/195351044.db2.gz AXMIBUFBXAGSQB-AREMUKBSSA-N 0 0 470.621 5.248 40 0 JKABRN CCN(Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584878 195351158 /nfs/dbraw/zinc/35/11/58/195351158.db2.gz AXMIBUFBXAGSQB-SANMLTNESA-N 0 0 470.621 5.248 40 0 JKABRN Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057589613 195351413 /nfs/dbraw/zinc/35/14/13/195351413.db2.gz JFKYPPAYAIFKQR-MHZLTWQESA-N 0 0 498.606 5.346 40 0 JKABRN COc1ccc(Cn2nnnc2[C@@H](c2ccc(Cl)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000057613864 195353581 /nfs/dbraw/zinc/35/35/81/195353581.db2.gz GKYUZBOHIOAHLK-AREMUKBSSA-N 0 0 489.982 5.401 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)cc12 ZINC000057608616 195353654 /nfs/dbraw/zinc/35/36/54/195353654.db2.gz OVSMPZWADTXJLJ-SANMLTNESA-N 0 0 496.615 5.271 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640574 195354024 /nfs/dbraw/zinc/35/40/24/195354024.db2.gz VZXWPWTYEFPAFA-RUZDIDTESA-N 0 0 490.627 5.515 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640568 195354284 /nfs/dbraw/zinc/35/42/84/195354284.db2.gz BCFIAWXPOPOCFH-VWLOTQADSA-N 0 0 472.637 5.376 40 0 JKABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641203 195355093 /nfs/dbraw/zinc/35/50/93/195355093.db2.gz HVMXKJKYFJTDJF-AREMUKBSSA-N 0 0 486.620 5.100 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641533 195355362 /nfs/dbraw/zinc/35/53/62/195355362.db2.gz ZSUCWUCRAWPLQF-SANMLTNESA-N 0 0 486.664 5.738 40 0 JKABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641553 195355397 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525579435 /nfs/dbraw/zinc/57/94/35/525579435.db2.gz VHQYZLQCKNFGQJ-UHFFFAOYSA-N 0 0 482.403 5.089 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3cccc(C)c3)c(Cl)c2)cc1 ZINC000044885122 525599851 /nfs/dbraw/zinc/59/98/51/525599851.db2.gz QUFIYWYVNPJQDW-UHFFFAOYSA-N 0 0 489.062 5.421 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000044904516 525599907 /nfs/dbraw/zinc/59/99/07/525599907.db2.gz AHNPUHADUGTUSP-UHFFFAOYSA-N 0 0 477.413 5.465 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)c(Cl)c2)cc1 ZINC000020450626 525599966 /nfs/dbraw/zinc/59/99/66/525599966.db2.gz DIJALQXNQJYMNW-GOSISDBHSA-N 0 0 456.995 5.200 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2Cl)cc1 ZINC000020483909 525600831 /nfs/dbraw/zinc/60/08/31/525600831.db2.gz YOMGCSSVHQSKGY-UHFFFAOYSA-N 0 0 472.994 5.166 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)c(Cl)c2)cc1 ZINC000020457432 525601151 /nfs/dbraw/zinc/60/11/51/525601151.db2.gz JNGAIGSATMJYNJ-UHFFFAOYSA-N 0 0 472.994 5.166 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(Cl)c2)cc1 ZINC000020495025 525601574 /nfs/dbraw/zinc/60/15/74/525601574.db2.gz VIQHRKMZKWDRTH-UHFFFAOYSA-N 0 0 492.984 6.494 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1 ZINC000022515493 525601638 /nfs/dbraw/zinc/60/16/38/525601638.db2.gz DDNUXSBEBHFKJA-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4ccccc4c3)c(Cl)c2)cc1 ZINC000020460780 525602029 /nfs/dbraw/zinc/60/20/29/525602029.db2.gz UTYCEXZAMKMZGW-UHFFFAOYSA-N 0 0 450.947 5.855 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000020462062 525603195 /nfs/dbraw/zinc/60/31/95/525603195.db2.gz JVAGENOKOOOWDP-UHFFFAOYSA-N 0 0 468.884 5.720 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCCc3ccc(Cl)cc3)c2)cc1 ZINC000044883691 525603625 /nfs/dbraw/zinc/60/36/25/525603625.db2.gz WPYODKRVEUEHFC-UHFFFAOYSA-N 0 0 477.413 5.465 40 0 JKABRN 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O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000044840646 527103543 /nfs/dbraw/zinc/10/35/43/527103543.db2.gz BKJDCWKOXDOKAQ-UHFFFAOYSA-N 0 0 489.302 6.065 40 0 JKABRN O=C(Nc1cc(Cl)ccc1Cl)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020462020 527111187 /nfs/dbraw/zinc/11/11/87/527111187.db2.gz PXWQUQHMDSPPCL-UHFFFAOYSA-N 0 0 455.750 5.700 40 0 JKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020455983 527113730 /nfs/dbraw/zinc/11/37/30/527113730.db2.gz BUZGQQJOBVKLCW-UHFFFAOYSA-N 0 0 485.005 5.700 40 0 JKABRN O=C(Nc1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000027260962 527157096 /nfs/dbraw/zinc/15/70/96/527157096.db2.gz LKGPUUBQFKYXNO-UHFFFAOYSA-N 0 0 474.152 5.716 40 0 JKABRN O=C(Nc1ccc(Br)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020490420 527157364 /nfs/dbraw/zinc/15/73/64/527157364.db2.gz HBCKDVMOWDOGEL-UHFFFAOYSA-N 0 0 465.756 5.156 40 0 JKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020455284 527165546 /nfs/dbraw/zinc/16/55/46/527165546.db2.gz RZRBMSMKKQYYLQ-UHFFFAOYSA-N 0 0 478.658 5.332 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(I)c1 ZINC000033537930 527182810 /nfs/dbraw/zinc/18/28/10/527182810.db2.gz WQDPUDGKNPRFOG-UHFFFAOYSA-N 0 0 461.686 5.428 40 0 JKABRN Cc1ncc(NC(=O)C(=O)c2c(C)[nH]c3ccccc32)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124370 527291819 /nfs/dbraw/zinc/29/18/19/527291819.db2.gz LRSPSLSFCFXRGP-UHFFFAOYSA-N 0 0 475.961 5.569 40 0 JKABRN O=C(Cc1cccs1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 ZINC000072341225 527304024 /nfs/dbraw/zinc/30/40/24/527304024.db2.gz SHOFOEYBJUGOIM-UHFFFAOYSA-N 0 0 477.586 5.785 40 0 JKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044885651 527332601 /nfs/dbraw/zinc/33/26/01/527332601.db2.gz DMBYUTFTIQYIQB-UHFFFAOYSA-N 0 0 454.857 5.412 40 0 JKABRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000022745003 527357267 /nfs/dbraw/zinc/35/72/67/527357267.db2.gz PFNSYLWELOEXAJ-UHFFFAOYSA-N 0 0 487.309 5.762 40 0 JKABRN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cccc2c(Br)cccc12 ZINC000022707345 527378470 /nfs/dbraw/zinc/37/84/70/527378470.db2.gz AQAWTTZAVWDCPZ-UHFFFAOYSA-N 0 0 471.310 5.655 40 0 JKABRN O=C(Nc1cccc2ccccc21)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21 ZINC000040399525 527383265 /nfs/dbraw/zinc/38/32/65/527383265.db2.gz BYIZKMUWVKQVTA-OAHLLOKOSA-N 0 0 494.338 5.038 40 0 JKABRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020461974 527409732 /nfs/dbraw/zinc/40/97/32/527409732.db2.gz ZNLLMFFSNPDSMP-UHFFFAOYSA-N 0 0 453.586 5.518 40 0 JKABRN Nc1c(Br)cc2oc(-c3cc(Br)ccc3Cl)nc2c1Br ZINC000020435683 527424524 /nfs/dbraw/zinc/42/45/24/527424524.db2.gz TWYQNYQDGMXEBD-UHFFFAOYSA-N 0 0 481.369 6.018 40 0 JKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044844782 527434840 /nfs/dbraw/zinc/43/48/40/527434840.db2.gz RTZATHINDHTYFC-UHFFFAOYSA-N 0 0 495.025 6.544 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1cc(Cl)ccc1Cl ZINC000032126584 527460468 /nfs/dbraw/zinc/46/04/68/527460468.db2.gz XNAMVCZEFVFZNA-UHFFFAOYSA-N 0 0 492.387 7.082 40 0 JKABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000030865561 527467144 /nfs/dbraw/zinc/46/71/44/527467144.db2.gz ATVXKKWMDPRBEI-UHFFFAOYSA-N 0 0 476.985 5.660 40 0 JKABRN O=C(NC1CCCC1)[C@@H](c1ccc2ncccc2c1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1 ZINC000035288791 527507990 /nfs/dbraw/zinc/50/79/90/527507990.db2.gz PUJNZHZKECTQRA-MUUNZHRXSA-N 0 0 479.580 5.383 40 0 JKABRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020429025 527604436 /nfs/dbraw/zinc/60/44/36/527604436.db2.gz XAEPBSIIYLZWOQ-JLHYYAGUSA-N 0 0 454.309 6.658 40 0 JKABRN Cc1nnc2n1-c1sc(C)c(C)c1C(c1ccc(Cl)cc1)=N[C@@H]2CC(=O)Nc1ccc(O)cc1 ZINC000000578215 553711098 /nfs/dbraw/zinc/71/10/98/553711098.db2.gz GNMUEVRJHCWKTO-HXUWFJFHSA-N 0 0 492.004 5.534 40 0 in-vitro JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000000648238 553729199 /nfs/dbraw/zinc/72/91/99/553729199.db2.gz YXMBHMVJOOOJPO-UHFFFAOYSA-N 0 0 464.978 5.539 40 0 JKABRN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000000648833 553730101 /nfs/dbraw/zinc/73/01/01/553730101.db2.gz DGKCYXDFVOAQOL-UHFFFAOYSA-N 0 0 457.603 5.676 40 0 JKABRN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)c3n2)cc1 ZINC000000649294 553730641 /nfs/dbraw/zinc/73/06/41/553730641.db2.gz OFPAUSVUAVAKJA-PUAOIOHZSA-N 0 0 454.521 5.383 40 0 JKABRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3O)n2CCc2ccccc2)c(C)c1 ZINC000000650885 553732088 /nfs/dbraw/zinc/73/20/88/553732088.db2.gz BQYSINCRBAJZCQ-UHFFFAOYSA-N 0 0 472.614 5.549 40 0 JKABRN COc1ccc(CCNC(=O)c2sc3nc4c(cc3c2N)C[C@@H](C(C)(C)C)CC4)cc1OC ZINC000000691700 553758800 /nfs/dbraw/zinc/75/88/00/553758800.db2.gz HGCUWWGJENIKSY-KRWDZBQOSA-N 0 0 467.635 5.019 40 0 JKABRN COc1c2c(c(CC=C(C)C)c3oc(=O)c(-c4ccc(O)cc4)c(OC(C)=O)c13)OC(C)(C)C=C2 ZINC000000689660 553758898 /nfs/dbraw/zinc/75/88/98/553758898.db2.gz GKJJUJWUMHKUCG-UHFFFAOYSA-N 0 0 476.525 5.792 40 0 biogenic,in-vitro JKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1ccccc1Cl ZINC000000778430 553778485 /nfs/dbraw/zinc/77/84/85/553778485.db2.gz BFEFUUBIPWWDQB-UHFFFAOYSA-N 0 0 463.342 5.655 40 0 JKABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000778438 553778519 /nfs/dbraw/zinc/77/85/19/553778519.db2.gz QXGDDLPIOZFOES-UHFFFAOYSA-N 0 0 493.368 5.663 40 0 JKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000000786299 553781264 /nfs/dbraw/zinc/78/12/64/553781264.db2.gz WEQNMNNQUPVXOG-UHFFFAOYSA-N 0 0 458.587 5.214 40 0 JKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1 ZINC000000786826 553781559 /nfs/dbraw/zinc/78/15/59/553781559.db2.gz KDXBRNTUWJQQHA-UHFFFAOYSA-N 0 0 481.984 5.711 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)Nc4ccc(C)cc4C)n3C)cc12 ZINC000000786999 553781603 /nfs/dbraw/zinc/78/16/03/553781603.db2.gz NWWDXEJGORWPSP-UHFFFAOYSA-N 0 0 488.642 5.539 40 0 JKABRN CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000000797565 553782845 /nfs/dbraw/zinc/78/28/45/553782845.db2.gz HOIQXKYNJDCRHP-UHFFFAOYSA-N 0 0 450.395 5.256 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000000800206 553783930 /nfs/dbraw/zinc/78/39/30/553783930.db2.gz SAMGZKBFGAQAEO-INIZCTEOSA-N 0 0 464.431 5.462 40 0 JKABRN O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc(I)cc1 ZINC000000805626 553784787 /nfs/dbraw/zinc/78/47/87/553784787.db2.gz SQGNWOWNUVSKKQ-UHFFFAOYSA-N 0 0 476.701 5.449 40 0 JKABRN CCCC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1C(=O)N(c3ccccc3)C(=O)C12 ZINC000000825673 553788139 /nfs/dbraw/zinc/78/81/39/553788139.db2.gz TYTGQQPFKDTGQU-OREYSHIXSA-N 0 0 461.561 5.792 40 0 JKABRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000000825740 553788164 /nfs/dbraw/zinc/78/81/64/553788164.db2.gz ZFKLYIBAZVXTHY-VJNGENPBSA-N 0 0 491.587 5.801 40 0 JKABRN Cc1ccc(NC(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Br)cc1C ZINC000000827055 553788620 /nfs/dbraw/zinc/78/86/20/553788620.db2.gz OTUJNZIEUZIHMF-UHFFFAOYSA-N 0 0 495.324 6.108 40 0 JKABRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)OCc1ccccc1 ZINC000000829465 553789804 /nfs/dbraw/zinc/78/98/04/553789804.db2.gz QYYNAVYZHDNGLI-QFIPXVFZSA-N 0 0 457.555 5.286 40 0 JKABRN O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)Nc1ccccc1 ZINC000000837664 553792684 /nfs/dbraw/zinc/79/26/84/553792684.db2.gz WNAYUKZAGQYCCO-UHFFFAOYSA-N 0 0 453.976 5.933 40 0 JKABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000838450 553792938 /nfs/dbraw/zinc/79/29/38/553792938.db2.gz XEPICNATDXFZDM-UHFFFAOYSA-N 0 0 463.342 5.655 40 0 JKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000000840785 553793321 /nfs/dbraw/zinc/79/33/21/553793321.db2.gz LFJCEYWKZYLVDZ-HOTGVXAUSA-N 0 0 483.486 5.326 40 0 JKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000842494 553793693 /nfs/dbraw/zinc/79/36/93/553793693.db2.gz VHCGMQPSQUQCQL-UHFFFAOYSA-N 0 0 452.354 6.229 40 0 JKABRN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCCC4)c(Cl)c3n2)cc1OC ZINC000000848645 553797515 /nfs/dbraw/zinc/79/75/15/553797515.db2.gz MLPAHBDJWVFTSV-UHFFFAOYSA-N 0 0 482.890 5.102 40 0 JKABRN C[C@@H](NC(=O)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl)c1ccccc1 ZINC000000848590 553797518 /nfs/dbraw/zinc/79/75/18/553797518.db2.gz BOLBJMQESHBIFX-GFCCVEGCSA-N 0 0 462.834 5.699 40 0 JKABRN COC(=O)c1ccccc1NC(=O)c1nn2c(nc(-c3ccc(C)cc3)cc2C(F)(F)F)c1Cl ZINC000000848613 553797543 /nfs/dbraw/zinc/79/75/43/553797543.db2.gz IHLGJXLOXTUBDK-UHFFFAOYSA-N 0 0 488.853 5.416 40 0 JKABRN CSc1ccccc1NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000000848736 553797708 /nfs/dbraw/zinc/79/77/08/553797708.db2.gz VOWQRPOPROPIRN-UHFFFAOYSA-N 0 0 462.884 6.043 40 0 JKABRN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000857099 553800909 /nfs/dbraw/zinc/80/09/09/553800909.db2.gz GTQSQFIPDRALKT-UHFFFAOYSA-N 0 0 473.765 5.069 40 0 JKABRN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000863287 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ZINC000006474899 554544719 /nfs/dbraw/zinc/54/47/19/554544719.db2.gz ICTCEJVTRBQYLH-UHFFFAOYSA-N 0 0 475.832 7.132 40 0 JKABRN Clc1cccc(NCc2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)c1 ZINC000006474896 554544735 /nfs/dbraw/zinc/54/47/35/554544735.db2.gz WTKOXCYNYPZYOB-UHFFFAOYSA-N 0 0 475.832 7.132 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000006480840 554545036 /nfs/dbraw/zinc/54/50/36/554545036.db2.gz KEEIWBRDZNPNQI-UHFFFAOYSA-N 0 0 467.363 6.133 40 0 JKABRN CCCCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc32)cc1 ZINC000006480734 554545049 /nfs/dbraw/zinc/54/50/49/554545049.db2.gz CUBOJUJTQOSTAR-UHFFFAOYSA-N 0 0 489.572 6.124 40 0 JKABRN CCCc1nc2ccc(NC(=O)CCc3ccccc3)cc2c(=O)n1Cc1cccc(Cl)c1 ZINC000006510978 554548189 /nfs/dbraw/zinc/54/81/89/554548189.db2.gz NORFVSNBHLNRKH-UHFFFAOYSA-N 0 0 459.977 5.622 40 0 JKABRN CCN(CC)c1ccc2cc(C(=O)Nc3c(C)cccc3C)/c(=N/c3cccc(C)c3C)oc2c1 ZINC000006512247 554548713 /nfs/dbraw/zinc/54/87/13/554548713.db2.gz KYMGYSIBACZYEB-KTMFPKCZSA-N 0 0 467.613 6.997 40 0 JKABRN CCOC(=O)CN(C(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc21)c1ccccc1 ZINC000006546412 554549854 /nfs/dbraw/zinc/54/98/54/554549854.db2.gz CQFVHENZMJNWSF-UHFFFAOYSA-N 0 0 493.535 5.263 40 0 JKABRN CCOC(=O)c1c2c(sc1NC(=O)c1c(C)nn(-c3ccccc3)c1Cl)C[C@H](C)CC2 ZINC000006599740 554554542 /nfs/dbraw/zinc/55/45/42/554554542.db2.gz QUYDNQIYKQTEPU-CYBMUJFWSA-N 0 0 457.983 5.449 40 0 JKABRN CCOC(=O)c1c2c(sc1NC(=O)c1cc3c(C)nn(-c4ccccc4)c3s1)C[C@H](C)CC2 ZINC000006599744 554554799 /nfs/dbraw/zinc/55/47/99/554554799.db2.gz PGWKPFAKQYLHBT-CQSZACIVSA-N 0 0 479.627 6.011 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000006601079 554555904 /nfs/dbraw/zinc/55/59/04/554555904.db2.gz LPEUFNHFAQFANX-RUZDIDTESA-N 0 0 482.671 5.974 40 0 JKABRN CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)nc4ccc(F)cc43)sc2c1 ZINC000006631247 554556368 /nfs/dbraw/zinc/55/63/68/554556368.db2.gz YLDDBHCVYRZFIT-UHFFFAOYSA-N 0 0 490.585 6.175 40 0 JKABRN CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3nc(-c4ccccc4)cs3)c2c1 ZINC000006631078 554556397 /nfs/dbraw/zinc/55/63/97/554556397.db2.gz YBWDSLHCYJKUKM-UHFFFAOYSA-N 0 0 498.633 6.550 40 0 JKABRN CCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(I)c4)nc3c2)c1 ZINC000006631297 554556663 /nfs/dbraw/zinc/55/66/63/554556663.db2.gz AYISBJCKXIOVIA-UHFFFAOYSA-N 0 0 484.293 5.750 40 0 JKABRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3c(CC)cccc3CC)c2c1 ZINC000006844217 554558738 /nfs/dbraw/zinc/55/87/38/554558738.db2.gz UOLGGPCQGSCGKU-UHFFFAOYSA-N 0 0 473.617 6.854 40 0 JKABRN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2O)n1CCc1ccccc1 ZINC000006860460 554559112 /nfs/dbraw/zinc/55/91/12/554559112.db2.gz BYXAAHJJSNKDNF-UHFFFAOYSA-N 0 0 486.641 5.749 40 0 JKABRN CCc1cccc2c(SCC(=O)Nc3nc(-c4ccccc4)cs3)nc(-c3ccccc3)nc12 ZINC000006860556 554559347 /nfs/dbraw/zinc/55/93/47/554559347.db2.gz VHBBGHOCPQCMEE-UHFFFAOYSA-N 0 0 482.634 6.714 40 0 JKABRN CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000006860742 554559391 /nfs/dbraw/zinc/55/93/91/554559391.db2.gz QRTSQXLUXSOGIF-UHFFFAOYSA-N 0 0 498.652 6.224 40 0 JKABRN CCn1c(CNc2cc(Cl)ccc2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000006878424 554559755 /nfs/dbraw/zinc/55/97/55/554559755.db2.gz ICXWOUWNIMPWHX-UHFFFAOYSA-N 0 0 470.813 5.601 40 0 JKABRN CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N(c1ccccc1)c1ccccc1 ZINC000006878517 554560073 /nfs/dbraw/zinc/56/00/73/554560073.db2.gz TYLUXDGVITUNJN-IBGZPJMESA-N 0 0 492.048 6.409 40 0 JKABRN CCn1c(CNc2cc(Cl)ccc2Cl)nnc1S[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000006878523 554560081 /nfs/dbraw/zinc/56/00/81/554560081.db2.gz BAFNEUDKOIFXSS-AWEZNQCLSA-N 0 0 492.432 5.539 40 0 JKABRN CN(C(=O)CSc1ncnc2scc(-c3ccccc3)c21)c1nc(-c2ccccc2)cs1 ZINC000006878776 554560477 /nfs/dbraw/zinc/56/04/77/554560477.db2.gz KYWMZDQYJCPMIF-UHFFFAOYSA-N 0 0 474.636 6.237 40 0 JKABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006905711 554561542 /nfs/dbraw/zinc/56/15/42/554561542.db2.gz YYYAZALQQLEZLE-AATRIKPKSA-N 0 0 479.090 5.891 40 0 JKABRN COc1ccc(/C=C/C2=NN(c3ccc(Br)cc3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000006924742 554562218 /nfs/dbraw/zinc/56/22/18/554562218.db2.gz RJUHOUWSYSKMTF-DMKIBADUSA-N 0 0 463.375 6.487 40 0 JKABRN O=C1S/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1Cc1ccccc1Cl ZINC000007003107 554563132 /nfs/dbraw/zinc/56/31/32/554563132.db2.gz REOWIRYVGQADGV-OMCISZLKSA-N 0 0 452.713 5.068 40 0 JKABRN COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccc(Br)cc3)n2)cc1 ZINC000007060331 554563555 /nfs/dbraw/zinc/56/35/55/554563555.db2.gz OQBCVLIELXZAES-UHFFFAOYSA-N 0 0 479.399 6.428 40 0 JKABRN COc1ccc(-c2cc(C(=O)Nc3ccc(-c4ccc(Cl)cc4)cc3)c3ccccc3n2)cc1 ZINC000007060167 554563578 /nfs/dbraw/zinc/56/35/78/554563578.db2.gz FKEVFGPUECFUCR-UHFFFAOYSA-N 0 0 464.952 7.483 40 0 JKABRN COc1ccc(-c2ccc(-c3nnn(CC(=O)Nc4ccccc4-c4ccccc4)n3)cc2)cc1 ZINC000007060302 554563648 /nfs/dbraw/zinc/56/36/48/554563648.db2.gz LWEIWXDQWJTVBV-UHFFFAOYSA-N 0 0 461.525 5.321 40 0 JKABRN O=C(Nc1ccc(Cc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000008427384 554582713 /nfs/dbraw/zinc/58/27/13/554582713.db2.gz HYQQCDKCKRHDNM-YXOGWZJSSA-N 0 0 486.615 6.762 40 0 JKABRN C[C@@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2)c1ccccc1 ZINC000008444746 554594363 /nfs/dbraw/zinc/59/43/63/554594363.db2.gz DKNGMEDSYHMMPF-OMWUSAIZSA-N 0 0 493.327 5.797 40 0 JKABRN CCOc1ccccc1N(CC(=O)N/C=C/c1cccc2ccccc12)S(=O)(=O)c1ccccc1 ZINC000008742088 554644553 /nfs/dbraw/zinc/64/45/53/554644553.db2.gz NYKAGJZBPLWSAU-FMQUCBEESA-N 0 0 486.593 5.221 40 0 JKABRN CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000008765799 554666478 /nfs/dbraw/zinc/66/64/78/554666478.db2.gz QCVVSNAUBYPIPX-UHFFFAOYSA-N 0 0 455.576 5.763 40 0 JKABRN Cc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c1C ZINC000008766871 554667579 /nfs/dbraw/zinc/66/75/79/554667579.db2.gz VDGGTTRRMKGXJC-UHFFFAOYSA-N 0 0 475.639 5.674 40 0 JKABRN O=C([C@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000008768084 554668735 /nfs/dbraw/zinc/66/87/35/554668735.db2.gz VAWYUBMNOIEYHT-TXTKFYIRSA-N 0 0 490.865 5.079 40 0 JKABRN Cc1cc(Sc2cc(C)c(O)c(C(C)(C)c3ccccc3)c2)cc(C(C)(C)c2ccccc2)c1O ZINC000008781104 554677954 /nfs/dbraw/zinc/67/79/54/554677954.db2.gz KTCBTPMZCJFHJF-UHFFFAOYSA-N 0 0 482.689 8.518 40 0 JKABRN C[C@@H](CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000008781101 554677974 /nfs/dbraw/zinc/67/79/74/554677974.db2.gz YIXNZIYJWFRIIJ-FQEVSTJZSA-N 0 0 466.750 9.024 40 0 JKABRN COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1CSC1=N[C@@H]2C=CC=C[C@H]2S1 ZINC000008781252 554678201 /nfs/dbraw/zinc/67/82/01/554678201.db2.gz ZJSWXOKLATVVPW-FVIHIMNJSA-N 0 0 466.657 5.215 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1F)c1ccc(Cl)cc1 ZINC000008810069 554689179 /nfs/dbraw/zinc/68/91/79/554689179.db2.gz FSPQCDNRDVFANJ-UHFFFAOYSA-N 0 0 473.740 5.839 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1F)c1ccc(Cl)cc1 ZINC000008810062 554689184 /nfs/dbraw/zinc/68/91/84/554689184.db2.gz CMRYHZALGPVSRV-UHFFFAOYSA-N 0 0 483.746 5.295 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1F)c1cccc(Cl)c1 ZINC000008810237 554689638 /nfs/dbraw/zinc/68/96/38/554689638.db2.gz DXRYYDQYAIIGLR-UHFFFAOYSA-N 0 0 457.285 5.325 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1F)c1cccc(Cl)c1 ZINC000008810230 554689690 /nfs/dbraw/zinc/68/96/90/554689690.db2.gz OXIQPJQVSNOOSU-UHFFFAOYSA-N 0 0 473.740 5.839 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1F)c1cccc(Cl)c1 ZINC000008810220 554689716 /nfs/dbraw/zinc/68/97/16/554689716.db2.gz WUKDLJHRYQCTGI-UHFFFAOYSA-N 0 0 483.746 5.295 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1F)c1ccccc1Cl ZINC000008810372 554690003 /nfs/dbraw/zinc/69/00/03/554690003.db2.gz AZFMILCKAGIBQR-UHFFFAOYSA-N 0 0 454.910 5.685 40 0 JKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810301 554690022 /nfs/dbraw/zinc/69/00/22/554690022.db2.gz MBXBFJFSUANLLI-UHFFFAOYSA-N 0 0 460.958 5.657 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1F)c1ccccc1Cl ZINC000008810432 554690119 /nfs/dbraw/zinc/69/01/19/554690119.db2.gz PZOCDVZQNAXAJE-UHFFFAOYSA-N 0 0 486.996 5.375 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1F)c1ccccc1Cl ZINC000008810388 554690197 /nfs/dbraw/zinc/69/01/97/554690197.db2.gz GUYSSHJPMRSDFB-UHFFFAOYSA-N 0 0 473.740 5.839 40 0 JKABRN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810462 554690416 /nfs/dbraw/zinc/69/04/16/554690416.db2.gz BQKQRMMKIXVILI-UHFFFAOYSA-N 0 0 460.958 5.964 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1)c1ccccc1 ZINC000008810505 554690428 /nfs/dbraw/zinc/69/04/28/554690428.db2.gz ZRJDMRCCWJIFNM-ZDUSSCGKSA-N 0 0 467.349 5.424 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810495 554690471 /nfs/dbraw/zinc/69/04/71/554690471.db2.gz PAHSAYRTMCVGLX-UHFFFAOYSA-N 0 0 471.381 5.554 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1F)c1ccc(Cl)cc1Cl ZINC000008810529 554690773 /nfs/dbraw/zinc/69/07/73/554690773.db2.gz GZZJCAASBUGIKB-UHFFFAOYSA-N 0 0 489.355 6.339 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810554 554690778 /nfs/dbraw/zinc/69/07/78/554690778.db2.gz OWZXVZBPMUHAOA-UHFFFAOYSA-N 0 0 469.321 5.194 40 0 JKABRN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810605 554691028 /nfs/dbraw/zinc/69/10/28/554691028.db2.gz GNSOMWQRAUKFPC-HNNXBMFYSA-N 0 0 495.403 5.684 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1F)c1ccccc1F ZINC000008810677 554691198 /nfs/dbraw/zinc/69/11/98/554691198.db2.gz WLNLRIPBVYVNMI-UHFFFAOYSA-N 0 0 457.285 5.325 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1F)c1ccccc1F ZINC000008810678 554691258 /nfs/dbraw/zinc/69/12/58/554691258.db2.gz JTEWUQVXOJXCBP-UHFFFAOYSA-N 0 0 457.285 5.325 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1F)c1ccc(F)cc1 ZINC000008810847 554691444 /nfs/dbraw/zinc/69/14/44/554691444.db2.gz DBOVMTSWJJFTMF-UHFFFAOYSA-N 0 0 457.285 5.325 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554694000 /nfs/dbraw/zinc/69/40/00/554694000.db2.gz CQWAJAIRQCCGMH-UHFFFAOYSA-N 0 0 469.916 6.437 40 0 JKABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(I)cc3)o2)cc1 ZINC000008812518 554694011 /nfs/dbraw/zinc/69/40/11/554694011.db2.gz SRQPTZIEIOWXAL-UHFFFAOYSA-N 0 0 493.370 5.370 40 0 JKABRN CC1(C)CC(=O)c2cc(OCc3ccc(Cl)cc3)c(OCc3ccc(Cl)cc3)cc2O1 ZINC000008815588 554696981 /nfs/dbraw/zinc/69/69/81/554696981.db2.gz IVKRVPRGIYBMTM-UHFFFAOYSA-N 0 0 457.353 6.895 40 0 JKABRN COc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000008815560 554697034 /nfs/dbraw/zinc/69/70/34/554697034.db2.gz DPLXUULBFYNQFP-UHFFFAOYSA-N 0 0 489.313 6.696 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008820710 554707671 /nfs/dbraw/zinc/70/76/71/554707671.db2.gz AIBGAKMNDONKKN-UUYOSTAYSA-N 0 0 467.930 5.874 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC=C(c4ccc(F)cc4)CC3)cc12 ZINC000008829034 554719473 /nfs/dbraw/zinc/71/94/73/554719473.db2.gz 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O=C(Cc1c[nH]c2ccccc12)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013496683 555412261 /nfs/dbraw/zinc/41/22/61/555412261.db2.gz LLKJXVDJMCGOGD-NDEPHWFRSA-N 0 0 487.550 5.822 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2cccs2)cc1 ZINC000013497201 555412855 /nfs/dbraw/zinc/41/28/55/555412855.db2.gz OZIPOESLNBAGTP-AREMUKBSSA-N 0 0 476.642 5.632 40 0 JKABRN O=C(Cn1cnc2ccccc21)N(Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013497138 555412866 /nfs/dbraw/zinc/41/28/66/555412866.db2.gz IVTMVZBCTOFQGE-HHHXNRCGSA-N 0 0 486.641 5.317 40 0 JKABRN CCOCCCN(C(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccc(CC)cc1 ZINC000013497187 555412874 /nfs/dbraw/zinc/41/28/74/555412874.db2.gz BRZOFNAWUXXNQP-DEOSSOPVSA-N 0 0 456.652 5.370 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2cccs2)cc1 ZINC000013497244 555413157 /nfs/dbraw/zinc/41/31/57/555413157.db2.gz MYEXLTYOSVZABH-XMMPIXPASA-N 0 0 466.603 5.572 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cccs1 ZINC000013497294 555413178 /nfs/dbraw/zinc/41/31/78/555413178.db2.gz SBTXDIPETWJXBE-DEOSSOPVSA-N 0 0 466.603 5.572 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2cccs2)o1 ZINC000013497352 555413422 /nfs/dbraw/zinc/41/34/22/555413422.db2.gz NGTVRHYOKGYNFG-HSZRJFAPSA-N 0 0 454.567 5.621 40 0 JKABRN COc1ccccc1CN(C(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)o1 ZINC000013497342 555413450 /nfs/dbraw/zinc/41/34/50/555413450.db2.gz BHOAMCKZNNPHCE-DEOSSOPVSA-N 0 0 466.603 5.491 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)c2cccs2)c1 ZINC000013497395 555413458 /nfs/dbraw/zinc/41/34/58/555413458.db2.gz IVYRUJZORHDMJA-AREMUKBSSA-N 0 0 492.641 5.598 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2cccs2)o1 ZINC000013497344 555413495 /nfs/dbraw/zinc/41/34/95/555413495.db2.gz FQLCETCRFBQSBR-XMMPIXPASA-N 0 0 480.586 5.211 40 0 JKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1cccs1 ZINC000013497454 555413690 /nfs/dbraw/zinc/41/36/90/555413690.db2.gz MINYYUZAXGKDOV-DEOSSOPVSA-N 0 0 450.579 5.720 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2cccs2)c1 ZINC000013497414 555413703 /nfs/dbraw/zinc/41/37/03/555413703.db2.gz WFISNTPUZGGGJC-VWLOTQADSA-N 0 0 462.615 5.589 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)Cc2cccs2)o1 ZINC000013497520 555414063 /nfs/dbraw/zinc/41/40/63/555414063.db2.gz FHKFTDRCJRZMPG-RUZDIDTESA-N 0 0 450.604 5.063 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497668 555414221 /nfs/dbraw/zinc/41/42/21/555414221.db2.gz OCZASDWJOGTTMT-DEOSSOPVSA-N 0 0 481.643 5.144 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1Cl)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497649 555414250 /nfs/dbraw/zinc/41/42/50/555414250.db2.gz HRSIWOMMNUCZJJ-HSZRJFAPSA-N 0 0 473.063 5.834 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013497653 555414255 /nfs/dbraw/zinc/41/42/55/555414255.db2.gz KZKLYIWUJZSFQM-XMMPIXPASA-N 0 0 468.644 5.190 40 0 JKABRN CCOC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497661 555414283 /nfs/dbraw/zinc/41/42/83/555414283.db2.gz OUOASWXFIZRPRF-XMMPIXPASA-N 0 0 496.654 5.362 40 0 JKABRN O=C(Cc1cccs1)N(c1cccc(C(F)(F)F)c1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497658 555414291 /nfs/dbraw/zinc/41/42/91/555414291.db2.gz AJVMNRXAQLHKMD-QFIPXVFZSA-N 0 0 492.588 6.204 40 0 JKABRN COc1ccc(C)cc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497685 555414644 /nfs/dbraw/zinc/41/46/44/555414644.db2.gz GWMSVYNORKRNLB-XMMPIXPASA-N 0 0 468.644 5.502 40 0 JKABRN CCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497675 555414661 /nfs/dbraw/zinc/41/46/61/555414661.db2.gz AVYGOFOTDMNGFG-XMMPIXPASA-N 0 0 468.644 5.584 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497673 555414673 /nfs/dbraw/zinc/41/46/73/555414673.db2.gz QLGXWPBMHHQEPV-HSZRJFAPSA-N 0 0 454.617 5.194 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013497677 555414709 /nfs/dbraw/zinc/41/47/09/555414709.db2.gz SWMSMWOILIVIEA-XMMPIXPASA-N 0 0 484.643 5.203 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013497718 555414826 /nfs/dbraw/zinc/41/48/26/555414826.db2.gz XJSVTJUIPRSIDS-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2Cl)c1 ZINC000013497733 555414853 /nfs/dbraw/zinc/41/48/53/555414853.db2.gz PQOHDWFVPOBAME-AREMUKBSSA-N 0 0 497.060 5.782 40 0 JKABRN O=C(Cc1cccs1)N(Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497726 555414866 /nfs/dbraw/zinc/41/48/66/555414866.db2.gz BOPISIVWINLRCN-QHCPKHFHSA-N 0 0 473.063 5.834 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497715 555414868 /nfs/dbraw/zinc/41/48/68/555414868.db2.gz COFZUCGFZMNVMR-AREMUKBSSA-N 0 0 495.044 5.980 40 0 JKABRN CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013497712 555414876 /nfs/dbraw/zinc/41/48/76/555414876.db2.gz MUQNHYCKLKXJEQ-SANMLTNESA-N 0 0 495.044 5.980 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497710 555414902 /nfs/dbraw/zinc/41/49/02/555414902.db2.gz OBYOSISANJQAIF-DEOSSOPVSA-N 0 0 470.997 5.916 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497737 555415138 /nfs/dbraw/zinc/41/51/38/555415138.db2.gz PYICALFQOUOFGX-RUZDIDTESA-N 0 0 467.034 5.773 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497745 555415171 /nfs/dbraw/zinc/41/51/71/555415171.db2.gz JCBAIMASVVXVBR-AREMUKBSSA-N 0 0 495.044 5.980 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2Cl)cc1 ZINC000013497748 555415198 /nfs/dbraw/zinc/41/51/98/555415198.db2.gz SWBLEEYAGSJLDH-VWLOTQADSA-N 0 0 483.033 5.786 40 0 JKABRN CC[C@H](C)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000013497790 555415373 /nfs/dbraw/zinc/41/53/73/555415373.db2.gz UTMWPQORALAGSW-CCLHPLFOSA-N 0 0 475.658 6.032 40 0 JKABRN CC[C@H](C)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000013497792 555415391 /nfs/dbraw/zinc/41/53/91/555415391.db2.gz UTMWPQORALAGSW-DCFHFQCYSA-N 0 0 475.658 6.032 40 0 JKABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1C ZINC000013497884 555415950 /nfs/dbraw/zinc/41/59/50/555415950.db2.gz IHMJZJGFKAZJTR-MHZLTWQESA-N 0 0 476.642 5.831 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000013497927 555416251 /nfs/dbraw/zinc/41/62/51/555416251.db2.gz HRUNNIYEVQZIJG-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C)cc2)cc1OC ZINC000013497909 555416299 /nfs/dbraw/zinc/41/62/99/555416299.db2.gz YGLWCCIXHZBCIS-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)Cc2cccs2)c1 ZINC000013497941 555416585 /nfs/dbraw/zinc/41/65/85/555416585.db2.gz OWGVTLSWOOIPNW-AREMUKBSSA-N 0 0 497.060 5.782 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C(C)=O)c1 ZINC000013497958 555416596 /nfs/dbraw/zinc/41/65/96/555416596.db2.gz ZFMYWPLCBNEZPY-MHZLTWQESA-N 0 0 490.625 5.335 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C(C)=O)c2)c1 ZINC000013497956 555416672 /nfs/dbraw/zinc/41/66/72/555416672.db2.gz HKJBLPWDWGJKBK-MHZLTWQESA-N 0 0 490.625 5.335 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(OC)c2)c1 ZINC000013497978 555416894 /nfs/dbraw/zinc/41/68/94/555416894.db2.gz LARXFBADMYNZDP-SANMLTNESA-N 0 0 478.614 5.141 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)Cc2cccs2)cc1 ZINC000013498008 555417199 /nfs/dbraw/zinc/41/71/99/555417199.db2.gz RDCCRMBETKNZKT-MHZLTWQESA-N 0 0 480.674 5.818 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)Cc2cccs2)cc1 ZINC000013498013 555417208 /nfs/dbraw/zinc/41/72/08/555417208.db2.gz CROSDEFSQIQREX-AREMUKBSSA-N 0 0 497.060 5.782 40 0 JKABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000013498022 555417235 /nfs/dbraw/zinc/41/72/35/555417235.db2.gz JUAZICYXLIELKQ-MHZLTWQESA-N 0 0 492.641 5.137 40 0 JKABRN Cc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498079 555417754 /nfs/dbraw/zinc/41/77/54/555417754.db2.gz VWQWEZMSPZILRO-AREMUKBSSA-N 0 0 464.606 5.567 40 0 JKABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498088 555417770 /nfs/dbraw/zinc/41/77/70/555417770.db2.gz TZLNVWMEDKLPPE-VWLOTQADSA-N 0 0 494.588 5.050 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2c(C)cccc2C)cc1 ZINC000013498061 555417783 /nfs/dbraw/zinc/41/77/83/555417783.db2.gz MZDPNDFSUCAYSD-HHHXNRCGSA-N 0 0 476.642 5.749 40 0 JKABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013498087 555417828 /nfs/dbraw/zinc/41/78/28/555417828.db2.gz TZLNVWMEDKLPPE-RUZDIDTESA-N 0 0 494.588 5.050 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498072 555417843 /nfs/dbraw/zinc/41/78/43/555417843.db2.gz COAHMIJRCUJRPB-VWLOTQADSA-N 0 0 468.569 5.398 40 0 JKABRN COc1ccc(C)cc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498117 555418127 /nfs/dbraw/zinc/41/81/27/555418127.db2.gz LKRZLNFYVYRPIA-AREMUKBSSA-N 0 0 480.605 5.580 40 0 JKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498113 555418132 /nfs/dbraw/zinc/41/81/32/555418132.db2.gz OLNCJXCEQHXAIV-RUZDIDTESA-N 0 0 466.578 5.272 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498094 555418147 /nfs/dbraw/zinc/41/81/47/555418147.db2.gz YJEMYSFLEYRRQH-SANMLTNESA-N 0 0 478.589 5.466 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498096 555418153 /nfs/dbraw/zinc/41/81/53/555418153.db2.gz JWVLNNDBPMAOSB-SANMLTNESA-N 0 0 478.589 5.466 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498115 555418163 /nfs/dbraw/zinc/41/81/63/555418163.db2.gz LTVYVWYLHJMZCF-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c(OC)c1 ZINC000013498121 555418178 /nfs/dbraw/zinc/41/81/78/555418178.db2.gz NYJKOPYCATTXLL-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498147 555418307 /nfs/dbraw/zinc/41/83/07/555418307.db2.gz RZFVSKBKOYDPRR-XMMPIXPASA-N 0 0 470.997 5.916 40 0 JKABRN Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498138 555418349 /nfs/dbraw/zinc/41/83/49/555418349.db2.gz HOXDIKCLSABEMW-VWLOTQADSA-N 0 0 450.579 5.571 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498156 555418382 /nfs/dbraw/zinc/41/83/82/555418382.db2.gz ZSCPBRDRRGFGLP-SANMLTNESA-N 0 0 480.605 5.267 40 0 JKABRN Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013498133 555418401 /nfs/dbraw/zinc/41/84/01/555418401.db2.gz JWDRCWSAHBVLAL-AREMUKBSSA-N 0 0 464.606 5.880 40 0 JKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498173 555418648 /nfs/dbraw/zinc/41/86/48/555418648.db2.gz VJFCGRJLGPGYJX-XMMPIXPASA-N 0 0 454.542 5.402 40 0 JKABRN CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498167 555418656 /nfs/dbraw/zinc/41/86/56/555418656.db2.gz CCSHNPKVDFUPLY-AREMUKBSSA-N 0 0 478.589 5.466 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000013498215 555418942 /nfs/dbraw/zinc/41/89/42/555418942.db2.gz XOBZMGAQPHDTMR-XMMPIXPASA-N 0 0 452.645 5.489 40 0 JKABRN COc1ccc(OC)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013498187 555418967 /nfs/dbraw/zinc/41/89/67/555418967.db2.gz KVUHVRGXMOWZAS-AREMUKBSSA-N 0 0 496.604 5.280 40 0 JKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1 ZINC000013498204 555418971 /nfs/dbraw/zinc/41/89/71/555418971.db2.gz RDMFPVSCXWKIPD-SANMLTNESA-N 0 0 464.606 5.880 40 0 JKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1 ZINC000013498227 555419208 /nfs/dbraw/zinc/41/92/08/555419208.db2.gz YTKIKLNUFHYRDC-AREMUKBSSA-N 0 0 464.606 5.567 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013498236 555419212 /nfs/dbraw/zinc/41/92/12/555419212.db2.gz KGHUMOFGFHLHQI-MHZLTWQESA-N 0 0 489.641 5.391 40 0 JKABRN CC(=O)c1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013498241 555419217 /nfs/dbraw/zinc/41/92/17/555419217.db2.gz QTGYJSHOBXHOBH-HHHXNRCGSA-N 0 0 474.626 5.635 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1 ZINC000013498275 555419542 /nfs/dbraw/zinc/41/95/42/555419542.db2.gz FCIGAXWDYSFGPW-RUZDIDTESA-N 0 0 466.672 5.743 40 0 JKABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013498301 555419570 /nfs/dbraw/zinc/41/95/70/555419570.db2.gz DKNHIAUGPZNIKU-AREMUKBSSA-N 0 0 490.625 5.219 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013498318 555419742 /nfs/dbraw/zinc/41/97/42/555419742.db2.gz PNKHRPRZQQYXEI-SANMLTNESA-N 0 0 462.615 5.441 40 0 JKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2c(C)cccc2C)cc1 ZINC000013498331 555419749 /nfs/dbraw/zinc/41/97/49/555419749.db2.gz QPXQZEJQFYYFDL-HHHXNRCGSA-N 0 0 460.643 6.049 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013498319 555419761 /nfs/dbraw/zinc/41/97/61/555419761.db2.gz WMDZMEJWYXRSCN-HHHXNRCGSA-N 0 0 492.641 5.450 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498359 555420040 /nfs/dbraw/zinc/42/00/40/555420040.db2.gz XFYVILLZSLWTBN-AREMUKBSSA-N 0 0 475.614 5.082 40 0 JKABRN CCOC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498368 555420042 /nfs/dbraw/zinc/42/00/42/555420042.db2.gz ZRWJLASRGITMCX-SANMLTNESA-N 0 0 490.625 5.301 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498344 555420051 /nfs/dbraw/zinc/42/00/51/555420051.db2.gz HGAFZBVTARRAAM-SANMLTNESA-N 0 0 462.615 5.128 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498341 555420057 /nfs/dbraw/zinc/42/00/57/555420057.db2.gz GJQIYLJBFLZENA-RUZDIDTESA-N 0 0 450.579 5.259 40 0 JKABRN O=C(Cc1cccs1)N(Cc1ccccc1Cl)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498339 555420090 /nfs/dbraw/zinc/42/00/90/555420090.db2.gz BRPYHXAXYHHAMH-RUZDIDTESA-N 0 0 467.034 5.773 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1OC ZINC000013498385 555420422 /nfs/dbraw/zinc/42/04/22/555420422.db2.gz PCEDEMWEFXNEPN-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498383 555420475 /nfs/dbraw/zinc/42/04/75/555420475.db2.gz IJMLYZAWNHWPSC-AREMUKBSSA-N 0 0 478.614 5.141 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013498451 555420760 /nfs/dbraw/zinc/42/07/60/555420760.db2.gz NVKYPEKDSFNBNL-HHHXNRCGSA-N 0 0 496.615 5.118 40 0 JKABRN Cc1ccc2cc(CN(Cc3ccccc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498543 555421573 /nfs/dbraw/zinc/42/15/73/555421573.db2.gz KWRKJZOZWOCHBD-NDEPHWFRSA-N 0 0 492.627 5.271 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498620 555422874 /nfs/dbraw/zinc/42/28/74/555422874.db2.gz AHODSEWCAISFHW-QHCPKHFHSA-N 0 0 494.665 5.129 40 0 JKABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498626 555423015 /nfs/dbraw/zinc/42/30/15/555423015.db2.gz JLHKLVKJZJZPAI-AREMUKBSSA-N 0 0 486.620 5.038 40 0 JKABRN CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1F ZINC000009694901 555424732 /nfs/dbraw/zinc/42/47/32/555424732.db2.gz FVNCIAKIVZOUEL-UHFFFAOYSA-N 0 0 496.391 5.198 40 0 JKABRN CC(C)(C)c1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(C(C)(C)C)cc6)nc5c4)ccc3[nH]2)cc1 ZINC000009694160 555424762 /nfs/dbraw/zinc/42/47/62/555424762.db2.gz RECYBAVMRDVTHG-UHFFFAOYSA-N 0 0 498.674 9.035 40 0 JKABRN CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccccc1F ZINC000009694903 555424777 /nfs/dbraw/zinc/42/47/77/555424777.db2.gz GVALLZYHGQEAJI-UHFFFAOYSA-N 0 0 496.391 5.198 40 0 JKABRN Cc1cc2cc(CN(Cc3cccnc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498886 555426042 /nfs/dbraw/zinc/42/60/42/555426042.db2.gz WLPCZTZZEJUVNP-HHHXNRCGSA-N 0 0 499.663 5.431 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499014 555427129 /nfs/dbraw/zinc/42/71/29/555427129.db2.gz PQCRETJBEXPCNN-XMMPIXPASA-N 0 0 492.693 5.738 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499024 555427147 /nfs/dbraw/zinc/42/71/47/555427147.db2.gz VANKUEGBLASGQC-RUZDIDTESA-N 0 0 474.609 5.239 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499006 555427191 /nfs/dbraw/zinc/42/71/91/555427191.db2.gz WBCQXMVFPHUXHN-AREMUKBSSA-N 0 0 486.664 5.676 40 0 JKABRN Cc1cc(C)c2cc(CN(Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499003 555427234 /nfs/dbraw/zinc/42/72/34/555427234.db2.gz WPNDODNNGMAGKH-QHCPKHFHSA-N 0 0 478.666 5.347 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499167 555428814 /nfs/dbraw/zinc/42/88/14/555428814.db2.gz WNVSYDFQMAJPJJ-VWLOTQADSA-N 0 0 490.627 5.425 40 0 JKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc12 ZINC000013499182 555429004 /nfs/dbraw/zinc/42/90/04/555429004.db2.gz ISWZPHNIJDJHPY-HHHXNRCGSA-N 0 0 496.615 5.172 40 0 JKABRN Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013499212 555429323 /nfs/dbraw/zinc/42/93/23/555429323.db2.gz IDOWDAXBGXIRTM-UHFFFAOYSA-N 0 0 460.599 5.153 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499244 555429647 /nfs/dbraw/zinc/42/96/47/555429647.db2.gz BDIROMBDGZLACS-NDEPHWFRSA-N 0 0 498.675 5.778 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499248 555429680 /nfs/dbraw/zinc/42/96/80/555429680.db2.gz OHAPSAZKOYNAIS-SANMLTNESA-N 0 0 488.636 5.719 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499245 555429688 /nfs/dbraw/zinc/42/96/88/555429688.db2.gz RIDVFOKYGQQVAU-MUUNZHRXSA-N 0 0 498.675 6.126 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499280 555429845 /nfs/dbraw/zinc/42/98/45/555429845.db2.gz UEFLAQFOFPETLL-QHCPKHFHSA-N 0 0 462.598 5.105 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499264 555429991 /nfs/dbraw/zinc/42/99/91/555429991.db2.gz RTUNMFJPSMWLEL-DEOSSOPVSA-N 0 0 458.610 5.122 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499277 555430016 /nfs/dbraw/zinc/43/00/16/555430016.db2.gz IMOOOUWRVFBUKV-RUZDIDTESA-N 0 0 490.627 5.651 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499282 555430066 /nfs/dbraw/zinc/43/00/66/555430066.db2.gz IWFQOFZCORNYDW-QHCPKHFHSA-N 0 0 478.666 5.573 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499309 555430361 /nfs/dbraw/zinc/43/03/61/555430361.db2.gz MAMJCXFAKRTQHS-AREMUKBSSA-N 0 0 482.588 5.008 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499371 555430927 /nfs/dbraw/zinc/43/09/27/555430927.db2.gz VGAUYSKOKFCBKN-RUZDIDTESA-N 0 0 490.608 5.165 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499437 555431275 /nfs/dbraw/zinc/43/12/75/555431275.db2.gz RABRPDHSRVXDGO-HSZRJFAPSA-N 0 0 478.666 5.492 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499547 555432540 /nfs/dbraw/zinc/43/25/40/555432540.db2.gz TVMSYHICSJMUET-HSZRJFAPSA-N 0 0 478.666 5.492 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cccnc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499554 555432553 /nfs/dbraw/zinc/43/25/53/555432553.db2.gz IXLQONANSVQKRR-VWLOTQADSA-N 0 0 487.652 5.215 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499552 555432641 /nfs/dbraw/zinc/43/26/41/555432641.db2.gz HQMRXRVOUCPXGY-SANMLTNESA-N 0 0 486.664 5.820 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499551 555432679 /nfs/dbraw/zinc/43/26/79/555432679.db2.gz HQMRXRVOUCPXGY-AREMUKBSSA-N 0 0 486.664 5.820 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499636 555433854 /nfs/dbraw/zinc/43/38/54/555433854.db2.gz NPMRYXVAWOUVAS-VWLOTQADSA-N 0 0 488.636 5.773 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499633 555434058 /nfs/dbraw/zinc/43/40/58/555434058.db2.gz XORUSSZGAMGYAE-LOSJGSFVSA-N 0 0 492.668 5.159 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499666 555434388 /nfs/dbraw/zinc/43/43/88/555434388.db2.gz BKLPVYLTHRYGIU-MHZLTWQESA-N 0 0 498.675 5.833 40 0 JKABRN COc1ccc(OC)c(C(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c32)c1 ZINC000013499943 555435364 /nfs/dbraw/zinc/43/53/64/555435364.db2.gz QWVJPMSOTNMYKM-UHFFFAOYSA-N 0 0 456.633 6.348 40 0 JKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(C)cc4C)n21)CCCC3 ZINC000013499876 555435468 /nfs/dbraw/zinc/43/54/68/555435468.db2.gz DTPUKLHDPSGKPU-UHFFFAOYSA-N 0 0 451.621 5.128 40 0 JKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4Cl)n21)CCCC3 ZINC000013499877 555435475 /nfs/dbraw/zinc/43/54/75/555435475.db2.gz CXYIQPNUMVBDJV-UHFFFAOYSA-N 0 0 458.012 5.164 40 0 JKABRN Cc1sc2nc(C3CCCCC3)nc(SCC(=O)Nc3ccc4c(c3)OCO4)c2c1C ZINC000013499945 555435484 /nfs/dbraw/zinc/43/54/84/555435484.db2.gz DRDLQDMHDMDWKP-UHFFFAOYSA-N 0 0 455.605 5.815 40 0 JKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(Cl)cc4)n21)CCCC3 ZINC000013499866 555435487 /nfs/dbraw/zinc/43/54/87/555435487.db2.gz XMRUJQRMWCDLHE-UHFFFAOYSA-N 0 0 458.012 5.164 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1 ZINC000013499984 555435706 /nfs/dbraw/zinc/43/57/06/555435706.db2.gz DPOIPVWTLNTCCE-UHFFFAOYSA-N 0 0 455.609 5.209 40 0 JKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccccc4C(F)(F)F)nnc3c2c1C ZINC000013499972 555435730 /nfs/dbraw/zinc/43/57/30/555435730.db2.gz MJGTUALVFAFZDW-UHFFFAOYSA-N 0 0 479.553 5.829 40 0 JKABRN CCC(=O)Nc1cccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)c1 ZINC000013500023 555435737 /nfs/dbraw/zinc/43/57/37/555435737.db2.gz LZSBSBDQWFUNDA-UHFFFAOYSA-N 0 0 482.635 5.159 40 0 JKABRN CCOC(=O)CCC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4cccc(C(C)=O)c4)cc3)c2nc1C ZINC000013500059 555436032 /nfs/dbraw/zinc/43/60/32/555436032.db2.gz TWRKBXBPFPLJBJ-UHFFFAOYSA-N 0 0 498.583 5.248 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)Nc3ccc(Cl)cc3)c2C)n1Cc1ccccc1OC ZINC000013500052 555436052 /nfs/dbraw/zinc/43/60/52/555436052.db2.gz DPVMPVJGSMVXHY-UHFFFAOYSA-N 0 0 477.996 6.437 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)NCc3ccccc3)c2C)n1Cc1ccccc1OC ZINC000013500054 555436060 /nfs/dbraw/zinc/43/60/60/555436060.db2.gz ZSVJKCBPGGMTLY-UHFFFAOYSA-N 0 0 457.578 5.461 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500179 555437282 /nfs/dbraw/zinc/43/72/82/555437282.db2.gz SHKBEZQDYOOQSS-AREMUKBSSA-N 0 0 492.668 5.705 40 0 JKABRN Cc1cccc2cc(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500226 555438075 /nfs/dbraw/zinc/43/80/75/555438075.db2.gz IJZFVNWKCJASHN-DEOSSOPVSA-N 0 0 476.600 5.117 40 0 JKABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500277 555438482 /nfs/dbraw/zinc/43/84/82/555438482.db2.gz DPUOFJVQXMMIFT-AREMUKBSSA-N 0 0 486.664 5.328 40 0 JKABRN Cc1cccc2cc(CN(CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500273 555438629 /nfs/dbraw/zinc/43/86/29/555438629.db2.gz VJEVKQIVAXSKOD-RUZDIDTESA-N 0 0 472.637 5.020 40 0 JKABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500327 555438827 /nfs/dbraw/zinc/43/88/27/555438827.db2.gz HAIGSRVZBIWOKC-MUUNZHRXSA-N 0 0 498.675 6.036 40 0 JKABRN Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013500339 555439360 /nfs/dbraw/zinc/43/93/60/555439360.db2.gz FMVJKEBMYCQMAQ-HHHXNRCGSA-N 0 0 484.648 5.646 40 0 JKABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500487 555440434 /nfs/dbraw/zinc/44/04/34/555440434.db2.gz GQVGAOBKMGFVSI-DEOSSOPVSA-N 0 0 476.650 5.399 40 0 JKABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500452 555440522 /nfs/dbraw/zinc/44/05/22/555440522.db2.gz RUYPURMEWLAMSH-AREMUKBSSA-N 0 0 488.636 5.629 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500485 555440541 /nfs/dbraw/zinc/44/05/41/555440541.db2.gz BKCBSFPUMBNGPK-QHCPKHFHSA-N 0 0 478.666 5.429 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500507 555440927 /nfs/dbraw/zinc/44/09/27/555440927.db2.gz YSKIVUMMXRGSCW-SANMLTNESA-N 0 0 486.664 5.410 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500719 555442900 /nfs/dbraw/zinc/44/29/00/555442900.db2.gz BTZBLPZFNIZAGC-DEOSSOPVSA-N 0 0 488.636 5.130 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500705 555442928 /nfs/dbraw/zinc/44/29/28/555442928.db2.gz CIQDJZMVWGDMNB-VWLOTQADSA-N 0 0 472.637 5.430 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500712 555442952 /nfs/dbraw/zinc/44/29/52/555442952.db2.gz AMSQNYZFJZWBKI-HSZRJFAPSA-N 0 0 476.600 5.261 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500696 555443002 /nfs/dbraw/zinc/44/30/02/555443002.db2.gz RBOTWVICMQLJEL-HSZRJFAPSA-N 0 0 458.610 5.122 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500747 555443415 /nfs/dbraw/zinc/44/34/15/555443415.db2.gz QHWGAJWKQQGYNO-QFIPXVFZSA-N 0 0 464.639 5.183 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500744 555443524 /nfs/dbraw/zinc/44/35/24/555443524.db2.gz OSKHHZQUTAKDEH-OAQYLSRUSA-N 0 0 464.639 5.183 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500755 555443538 /nfs/dbraw/zinc/44/35/38/555443538.db2.gz ARIQMKXNNKXGJX-VWLOTQADSA-N 0 0 472.637 5.164 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500787 555443822 /nfs/dbraw/zinc/44/38/22/555443822.db2.gz NRZXYERPMUBEMZ-VWLOTQADSA-N 0 0 470.621 5.482 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500772 555443838 /nfs/dbraw/zinc/44/38/38/555443838.db2.gz PISPRABQFVKDDL-AREMUKBSSA-N 0 0 470.621 5.482 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500788 555444002 /nfs/dbraw/zinc/44/40/02/555444002.db2.gz PTVOMBVUQRGXCV-AREMUKBSSA-N 0 0 484.648 5.872 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500819 555444344 /nfs/dbraw/zinc/44/43/44/555444344.db2.gz PQMPKJUNRBQGNN-NDEPHWFRSA-N 0 0 498.675 6.180 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500814 555444358 /nfs/dbraw/zinc/44/43/58/555444358.db2.gz JLUNTAPDHHDZIV-AREMUKBSSA-N 0 0 486.664 5.820 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500799 555444384 /nfs/dbraw/zinc/44/43/84/555444384.db2.gz MTWUBBUDRSRFBB-MHZLTWQESA-N 0 0 498.675 6.180 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500834 555444426 /nfs/dbraw/zinc/44/44/26/555444426.db2.gz FZWHGIRDMHOOMV-AREMUKBSSA-N 0 0 488.611 5.621 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500817 555444436 /nfs/dbraw/zinc/44/44/36/555444436.db2.gz STCAEBOFZCCEOT-MHZLTWQESA-N 0 0 484.648 5.790 40 0 JKABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500808 555444501 /nfs/dbraw/zinc/44/45/01/555444501.db2.gz SKAUBZBLNDJIGK-AREMUKBSSA-N 0 0 484.648 5.790 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500806 555444513 /nfs/dbraw/zinc/44/45/13/555444513.db2.gz WGRFRTCPSXSGNZ-RUZDIDTESA-N 0 0 486.664 5.820 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cccnc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500857 555444961 /nfs/dbraw/zinc/44/49/61/555444961.db2.gz BJJURLXZTNWCIY-DEOSSOPVSA-N 0 0 487.652 5.215 40 0 JKABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500898 555445093 /nfs/dbraw/zinc/44/50/93/555445093.db2.gz IHFPIRLXFOONCM-JOCHJYFZSA-N 0 0 462.598 5.105 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500901 555445100 /nfs/dbraw/zinc/44/51/00/555445100.db2.gz DNVMPKIHYIZPHD-QHCPKHFHSA-N 0 0 460.582 5.075 40 0 JKABRN CCC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500905 555445123 /nfs/dbraw/zinc/44/51/23/555445123.db2.gz JPMKZZHDWRKDNA-VWLOTQADSA-N 0 0 482.588 5.008 40 0 JKABRN CCC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500917 555445127 /nfs/dbraw/zinc/44/51/27/555445127.db2.gz MEPDZQOAHNLMHL-SANMLTNESA-N 0 0 482.588 5.008 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500932 555445548 /nfs/dbraw/zinc/44/55/48/555445548.db2.gz RZJZRWSDBPWTMG-AREMUKBSSA-N 0 0 496.615 5.316 40 0 JKABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500952 555445553 /nfs/dbraw/zinc/44/55/53/555445553.db2.gz HDWKAWWMADSSRS-HSZRJFAPSA-N 0 0 488.617 5.069 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500929 555445580 /nfs/dbraw/zinc/44/55/80/555445580.db2.gz MBTJTFVWIYAGAW-DEOSSOPVSA-N 0 0 474.609 5.383 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500945 555445583 /nfs/dbraw/zinc/44/55/83/555445583.db2.gz UPSAHDWRCNCYKJ-QHCPKHFHSA-N 0 0 476.650 5.543 40 0 JKABRN CCC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500925 555445600 /nfs/dbraw/zinc/44/56/00/555445600.db2.gz ZHKIPXWSYQBDKN-MHZLTWQESA-N 0 0 496.615 5.202 40 0 JKABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500927 555445611 /nfs/dbraw/zinc/44/56/11/555445611.db2.gz XMXKALJUQZRCNO-QHCPKHFHSA-N 0 0 476.625 5.413 40 0 JKABRN CCC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500997 555446281 /nfs/dbraw/zinc/44/62/81/555446281.db2.gz JKKFWECEZBBCOK-MHZLTWQESA-N 0 0 498.675 5.833 40 0 JKABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501072 555447296 /nfs/dbraw/zinc/44/72/96/555447296.db2.gz NWZKBQAHMDTLNN-RUZDIDTESA-N 0 0 488.611 5.215 40 0 JKABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501073 555447350 /nfs/dbraw/zinc/44/73/50/555447350.db2.gz NWZKBQAHMDTLNN-VWLOTQADSA-N 0 0 488.611 5.215 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCC(=O)Nc2ccccn2)C2CCCC2)cc1 ZINC000013501331 555449286 /nfs/dbraw/zinc/44/92/86/555449286.db2.gz LKHLFECNXIGEOI-NDEPHWFRSA-N 0 0 490.648 5.070 40 0 JKABRN Cc1ccc([C@H](C(=O)NC(C)C)N(C(=O)CCC(=O)Nc2ccccn2)c2ccc(C)cc2C)cc1 ZINC000013501409 555449640 /nfs/dbraw/zinc/44/96/40/555449640.db2.gz FNTAUYHXEDJIRQ-MUUNZHRXSA-N 0 0 486.616 5.025 40 0 JKABRN Cc1ccc([C@H](C(=O)NC(C)C)N(C(=O)CCC(=O)Nc2nccs2)c2ccc(C)cc2C)cc1 ZINC000013501775 555451134 /nfs/dbraw/zinc/45/11/34/555451134.db2.gz KWLFFKXOFIXHHZ-RUZDIDTESA-N 0 0 492.645 5.086 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2nccs2)c2cccc(C)c2)cc1 ZINC000013501816 555451449 /nfs/dbraw/zinc/45/14/49/555451449.db2.gz ANKZGYMHOZWAMT-DEOSSOPVSA-N 0 0 492.645 5.168 40 0 JKABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2nccs2)c2ccc(C)cc2)cc1 ZINC000013501818 555451463 /nfs/dbraw/zinc/45/14/63/555451463.db2.gz LEVVKMNEVDPRMV-DEOSSOPVSA-N 0 0 492.645 5.168 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccc(OC)cc1 ZINC000013502111 555452775 /nfs/dbraw/zinc/45/27/75/555452775.db2.gz ZYEPHIDJXUFJGH-HHHXNRCGSA-N 0 0 487.600 5.326 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1 ZINC000013502113 555452947 /nfs/dbraw/zinc/45/29/47/555452947.db2.gz XIQOYZVKKOXNNV-AREMUKBSSA-N 0 0 457.574 5.317 40 0 JKABRN CC(=O)c1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 ZINC000013502145 555452963 /nfs/dbraw/zinc/45/29/63/555452963.db2.gz HZIKEXVIHCSRKL-AREMUKBSSA-N 0 0 473.548 5.260 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(Cc1cccs1)C(=O)c1ccccn1 ZINC000013502117 555452976 /nfs/dbraw/zinc/45/29/76/555452976.db2.gz JLKCCZQOMYUOEY-HSZRJFAPSA-N 0 0 451.567 5.115 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 ZINC000013502152 555453008 /nfs/dbraw/zinc/45/30/08/555453008.db2.gz YZJYGEFBKADWHD-SANMLTNESA-N 0 0 475.564 5.456 40 0 JKABRN COc1cccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 ZINC000013502123 555453019 /nfs/dbraw/zinc/45/30/19/555453019.db2.gz UTEJJDLOLJLVSP-AREMUKBSSA-N 0 0 475.564 5.062 40 0 JKABRN COc1ccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1 ZINC000013502165 555453218 /nfs/dbraw/zinc/45/32/18/555453218.db2.gz HJPKQZCMBBNVHA-HHHXNRCGSA-N 0 0 471.601 5.231 40 0 JKABRN COC(=O)c1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1 ZINC000013502176 555453252 /nfs/dbraw/zinc/45/32/52/555453252.db2.gz LYNOEBYKKSVNDG-SANMLTNESA-N 0 0 485.584 5.014 40 0 JKABRN COC(=O)c1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1 ZINC000013502175 555453270 /nfs/dbraw/zinc/45/32/70/555453270.db2.gz LYNOEBYKKSVNDG-AREMUKBSSA-N 0 0 485.584 5.014 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(C)c2)c(OC)c1 ZINC000013502218 555453633 /nfs/dbraw/zinc/45/36/33/555453633.db2.gz GTPJLCKODKBKPZ-MHZLTWQESA-N 0 0 487.600 5.244 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(Cl)c2)c1 ZINC000013502254 555453862 /nfs/dbraw/zinc/45/38/62/555453862.db2.gz XZXVCKWNWHISAU-VWLOTQADSA-N 0 0 477.992 5.581 40 0 JKABRN CN1C(=O)[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@@H]2c3ccccc3O[C@]13CCCC[C@H]23 ZINC000009722498 555454079 /nfs/dbraw/zinc/45/40/79/555454079.db2.gz ZCDLMRWPLDMLNU-JBGDWIKQSA-N 0 0 480.608 5.366 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)cc1 ZINC000013502268 555454074 /nfs/dbraw/zinc/45/40/74/555454074.db2.gz HLZGZZLOKRSKRS-MHZLTWQESA-N 0 0 487.600 5.326 40 0 JKABRN Cc1ccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502294 555454126 /nfs/dbraw/zinc/45/41/26/555454126.db2.gz HRKBOICOEGNJLI-AREMUKBSSA-N 0 0 459.565 5.362 40 0 JKABRN CCOc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502311 555454352 /nfs/dbraw/zinc/45/43/52/555454352.db2.gz RHLGWIHQULMSNQ-SANMLTNESA-N 0 0 475.564 5.456 40 0 JKABRN CC(=O)c1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502305 555454391 /nfs/dbraw/zinc/45/43/91/555454391.db2.gz XWXDIKOBGYYDKN-SANMLTNESA-N 0 0 473.548 5.260 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(Cl)cc2)cc1 ZINC000013502331 555454396 /nfs/dbraw/zinc/45/43/96/555454396.db2.gz DPDHAQUHEQSVHD-VWLOTQADSA-N 0 0 477.992 5.581 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(Cl)cc2)cc1 ZINC000013502330 555454422 /nfs/dbraw/zinc/45/44/22/555454422.db2.gz DPDHAQUHEQSVHD-RUZDIDTESA-N 0 0 477.992 5.581 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccccn2)cc1 ZINC000013502359 555454540 /nfs/dbraw/zinc/45/45/40/555454540.db2.gz ATQLKTIVDQELKN-NDEPHWFRSA-N 0 0 485.628 5.355 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccccn2)cc1 ZINC000013502363 555454588 /nfs/dbraw/zinc/45/45/88/555454588.db2.gz SHTGPRZVPIRBSD-MHZLTWQESA-N 0 0 471.601 5.313 40 0 JKABRN COC(=O)c1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000013502396 555454840 /nfs/dbraw/zinc/45/48/40/555454840.db2.gz YSVNOYDAVZKJHU-AREMUKBSSA-N 0 0 485.584 5.014 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(OC)cc2)cc1 ZINC000013502373 555454858 /nfs/dbraw/zinc/45/48/58/555454858.db2.gz XLKPUZNWSRJWHG-MHZLTWQESA-N 0 0 487.600 5.326 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(OC)c2)cc1 ZINC000013502374 555454863 /nfs/dbraw/zinc/45/48/63/555454863.db2.gz IRHFXLFOQLXJLG-HHHXNRCGSA-N 0 0 487.600 5.326 40 0 JKABRN Cc1cc(C)c(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)c(C)c1 ZINC000013502563 555455832 /nfs/dbraw/zinc/45/58/32/555455832.db2.gz AFOJTEDHJBYMQW-UHFFFAOYSA-N 0 0 477.659 5.751 40 0 JKABRN Cc1ccc(-c2nnc(CSc3nnc4c5c6c(sc5nc(C(C)C)n34)CCCC6)o2)cc1 ZINC000013502524 555455847 /nfs/dbraw/zinc/45/58/47/555455847.db2.gz CPLJHVPTLLTGAG-UHFFFAOYSA-N 0 0 476.631 5.992 40 0 JKABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)N4[C@H](C)CCC[C@@H]4C)n21)CCCC3 ZINC000013502528 555455880 /nfs/dbraw/zinc/45/58/80/555455880.db2.gz RUIIJSNVEZULJO-GASCZTMLSA-N 0 0 457.669 5.223 40 0 JKABRN O=C(CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4)Nc1nc2ccccc2s1 ZINC000013502574 555455953 /nfs/dbraw/zinc/45/59/53/555455953.db2.gz MDXKGTXCJRBLKG-UHFFFAOYSA-N 0 0 492.655 5.436 40 0 JKABRN CCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000013502610 555456166 /nfs/dbraw/zinc/45/61/66/555456166.db2.gz MZMOUWXKZNXPNL-UHFFFAOYSA-N 0 0 490.629 5.356 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)c3ccc(C)cc3)cc12 ZINC000013502605 555456172 /nfs/dbraw/zinc/45/61/72/555456172.db2.gz FXUAAZSINGNXLR-UHFFFAOYSA-N 0 0 460.603 5.265 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)c3cccc(Cl)c3)cc12 ZINC000013502607 555456207 /nfs/dbraw/zinc/45/62/07/555456207.db2.gz FRXYHDIEQNGNLM-UHFFFAOYSA-N 0 0 481.021 5.610 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N([C@@H](C)C(=O)NC3CCCCC3)C3CCCC3)cc12 ZINC000013502647 555456522 /nfs/dbraw/zinc/45/65/22/555456522.db2.gz QJMHNBFCYNQXEU-IBGZPJMESA-N 0 0 478.662 5.618 40 0 JKABRN CCC(=O)Nc1cc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)ccc1C ZINC000013502687 555456659 /nfs/dbraw/zinc/45/66/59/555456659.db2.gz DNAOHQSJQZNOCB-UHFFFAOYSA-N 0 0 469.610 6.213 40 0 JKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)c3ccc(C)c(F)c3)cc12 ZINC000013502636 555456678 /nfs/dbraw/zinc/45/66/78/555456678.db2.gz ZIVKJJRPCGEMTC-UHFFFAOYSA-N 0 0 490.604 5.549 40 0 JKABRN CCn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1cccs1 ZINC000013503274 555460023 /nfs/dbraw/zinc/46/00/23/555460023.db2.gz BEOJQBSAOWDEQW-UHFFFAOYSA-N 0 0 469.617 5.071 40 0 JKABRN Cc1cccc2cc([C@@H](c3nnnn3C(C)C)N(CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000013503390 555460911 /nfs/dbraw/zinc/46/09/11/555460911.db2.gz KQKQLPLSLBOBIA-SANMLTNESA-N 0 0 498.656 5.300 40 0 JKABRN CCCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(OC(F)(F)F)cc32)cc1 ZINC000013503423 555460917 /nfs/dbraw/zinc/46/09/17/555460917.db2.gz NTRBIPSBHGSPEE-UHFFFAOYSA-N 0 0 469.463 5.817 40 0 JKABRN CC(C)(C)n1nnnc1[C@@H](c1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504066 555462738 /nfs/dbraw/zinc/46/27/38/555462738.db2.gz NTSQAXQNJQVMLI-HXUWFJFHSA-N 0 0 478.950 5.012 40 0 JKABRN Cc1csc(NC(=O)CCC(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)n1 ZINC000013505634 555467595 /nfs/dbraw/zinc/46/75/95/555467595.db2.gz MXNJKSZOJSRLFV-RUZDIDTESA-N 0 0 490.629 5.004 40 0 JKABRN COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(C(=O)Cc2cccs2)c2ccccc2)cc1 ZINC000013505914 555468558 /nfs/dbraw/zinc/46/85/58/555468558.db2.gz AJPUUOLBMBCAMS-AREMUKBSSA-N 0 0 474.582 5.292 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1ccccc1OC ZINC000013509640 555481485 /nfs/dbraw/zinc/48/14/85/555481485.db2.gz TUAQQNJABHZIIN-UHFFFAOYSA-N 0 0 462.981 6.045 40 0 JKABRN CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1ccccc1Cl ZINC000013509700 555481532 /nfs/dbraw/zinc/48/15/32/555481532.db2.gz SMFDKADBLCOESW-UHFFFAOYSA-N 0 0 482.415 7.081 40 0 JKABRN CCCCc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1Cl ZINC000013509706 555481551 /nfs/dbraw/zinc/48/15/51/555481551.db2.gz METOYLTXRUDNDN-UHFFFAOYSA-N 0 0 482.415 7.081 40 0 JKABRN CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1OC ZINC000013509650 555481576 /nfs/dbraw/zinc/48/15/76/555481576.db2.gz VPYLSYXZCCPVDY-UHFFFAOYSA-N 0 0 477.996 6.437 40 0 JKABRN CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccccc1Cl ZINC000013509709 555481580 /nfs/dbraw/zinc/48/15/80/555481580.db2.gz DEHZNNDLNBRTRY-UHFFFAOYSA-N 0 0 461.997 6.106 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)NCc3ccccc3)c2C)n1Cc1cccc(Cl)c1 ZINC000013509827 555481786 /nfs/dbraw/zinc/48/17/86/555481786.db2.gz FYPAWFSGNOOOSF-UHFFFAOYSA-N 0 0 461.997 6.106 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)NCc3ccccc3)c2C)n1Cc1ccc(Cl)cc1 ZINC000013509809 555481813 /nfs/dbraw/zinc/48/18/13/555481813.db2.gz NBHVGHZGYJDFEC-UHFFFAOYSA-N 0 0 461.997 6.106 40 0 JKABRN CCCCc1nc2c(ncc(NC(=O)Nc3cccc(Cl)c3)c2C)n1Cc1cccc(Cl)c1 ZINC000013509821 555481839 /nfs/dbraw/zinc/48/18/39/555481839.db2.gz YLWAUOLNOWWSCE-UHFFFAOYSA-N 0 0 482.415 7.081 40 0 JKABRN COc1ccccc1CCC(=O)N(CC(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000013510060 555481928 /nfs/dbraw/zinc/48/19/28/555481928.db2.gz ZWJAFGBILAVFON-UHFFFAOYSA-N 0 0 451.636 6.133 40 0 JKABRN CCCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000013510096 555481986 /nfs/dbraw/zinc/48/19/86/555481986.db2.gz XBYYDONGGLJSBB-UHFFFAOYSA-N 0 0 461.971 5.331 40 0 JKABRN CC(C)CN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000013510058 555482054 /nfs/dbraw/zinc/48/20/54/555482054.db2.gz FRGNPQDMGCCFKY-UHFFFAOYSA-N 0 0 458.027 6.224 40 0 JKABRN CCN(CC)C(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c21)CCCC3 ZINC000013510554 555482553 /nfs/dbraw/zinc/48/25/53/555482553.db2.gz XVNZCSATQYEUHA-UHFFFAOYSA-N 0 0 469.720 5.998 40 0 JKABRN Cc1sc2nc(C34CC5CC(CC(C5)C3)C4)nc(SCC(=O)N3CCCC[C@H]3C)c2c1C ZINC000013510507 555482630 /nfs/dbraw/zinc/48/26/30/555482630.db2.gz OCTKKHBPWQIUKG-AVJDKSCXSA-N 0 0 469.720 6.269 40 0 JKABRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000013511578 555483203 /nfs/dbraw/zinc/48/32/03/555483203.db2.gz ATXDEDKBOFKTTG-SDHOMARFSA-N 0 0 460.505 5.056 40 0 JKABRN CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000013512801 555484117 /nfs/dbraw/zinc/48/41/17/555484117.db2.gz KDTGLHHYKOQTDC-UHFFFAOYSA-N 0 0 495.549 6.471 40 0 JKABRN CC(C)(C)c1ccc(Cn2c(=O)c3cc(NC(=O)c4ccccc4)ccc3nc2C2CC2)cc1 ZINC000013513552 555484606 /nfs/dbraw/zinc/48/46/06/555484606.db2.gz DILTYNQFXRKXOO-UHFFFAOYSA-N 0 0 451.570 5.872 40 0 JKABRN Cc1ccc2c(c1)C(c1ccc(NC(=O)c3ccccc3)cc1)=NNC(c1ccc(Cl)cc1)=N2 ZINC000013513798 555484846 /nfs/dbraw/zinc/48/48/46/555484846.db2.gz XTLJMTSTKXQAPS-UHFFFAOYSA-N 0 0 464.956 6.335 40 0 JKABRN O=C(Nc1ccc(Br)cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000009761157 555485517 /nfs/dbraw/zinc/48/55/17/555485517.db2.gz JQYXOKFVIYWCLF-UHFFFAOYSA-N 0 0 457.371 6.563 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013561468 555494549 /nfs/dbraw/zinc/49/45/49/555494549.db2.gz SQHBIJKOKLZFFU-RUZDIDTESA-N 0 0 466.603 5.111 40 0 JKABRN CC(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)c2cccs2)cc1 ZINC000013561471 555494629 /nfs/dbraw/zinc/49/46/29/555494629.db2.gz PINXLDNMGZPHBJ-NDEPHWFRSA-N 0 0 492.729 7.394 40 0 JKABRN CCc1nc2c(cnn2-c2ccccc2)c(SCC(=O)N2c3ccc(C)cc3[C@H](C)CC2(C)C)n1 ZINC000013561679 555494855 /nfs/dbraw/zinc/49/48/55/555494855.db2.gz ZBUARFOUXAEUAR-LJQANCHMSA-N 0 0 485.657 6.097 40 0 JKABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(C(F)(F)F)cc1)N(Cc1ccco1)Cc1cccnc1 ZINC000013561864 555495379 /nfs/dbraw/zinc/49/53/79/555495379.db2.gz FPPJCVREYNYDPS-QFIPXVFZSA-N 0 0 484.526 5.617 40 0 JKABRN COc1ccc(CCN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)COc2ccccc2)cc1 ZINC000013562010 555495598 /nfs/dbraw/zinc/49/55/98/555495598.db2.gz NYPPUUDYEFQKSC-UHFFFAOYSA-N 0 0 489.015 6.164 40 0 JKABRN COc1ccc(CN(Cc2cc3ccc(C)c(C)c3nc2Cl)C(=O)c2ccccc2C)cc1OC ZINC000013561991 555495619 /nfs/dbraw/zinc/49/56/19/555495619.db2.gz ALMKRDGDDXQVAS-UHFFFAOYSA-N 0 0 489.015 6.673 40 0 JKABRN CCOc1ccc2nc(Cl)c(CN(CCc3ccc(OC)cc3)C(=O)c3cccc(F)c3)cc2c1 ZINC000013562008 555495628 /nfs/dbraw/zinc/49/56/28/555495628.db2.gz QQLMAMBPEJLYPN-UHFFFAOYSA-N 0 0 492.978 6.320 40 0 JKABRN CCc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3ccc(F)cc3)cc2c1 ZINC000013561984 555495654 /nfs/dbraw/zinc/49/56/54/555495654.db2.gz CYTWXHIGXLGFTG-UHFFFAOYSA-N 0 0 492.978 6.450 40 0 JKABRN CCc1ccc2nc(Cl)c(CN(CCc3ccc(OC)cc3)C(=O)c3ccccc3OC)cc2c1 ZINC000013562012 555495915 /nfs/dbraw/zinc/49/59/15/555495915.db2.gz NKDPWXNHBROSBL-UHFFFAOYSA-N 0 0 489.015 6.353 40 0 JKABRN O=C(CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1)N1CCCc2ccccc21 ZINC000013562256 555496630 /nfs/dbraw/zinc/49/66/30/555496630.db2.gz UUKJGSOWAUKHJM-UHFFFAOYSA-N 0 0 452.023 6.390 40 0 JKABRN CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1NCc1ccc(Cl)cc1Cl ZINC000013562680 555497356 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COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2SC)cc1Cl ZINC000013609679 555533125 /nfs/dbraw/zinc/53/31/25/555533125.db2.gz CKAXBWAOBVQYQX-UHFFFAOYSA-N 0 0 450.947 5.812 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000013609593 555533150 /nfs/dbraw/zinc/53/31/50/555533150.db2.gz YGXURFVHSGVPTA-UHFFFAOYSA-N 0 0 472.850 6.109 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl ZINC000013609706 555533181 /nfs/dbraw/zinc/53/31/81/555533181.db2.gz CWXXEHAVCPXSGU-UHFFFAOYSA-N 0 0 499.350 5.760 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1Cl ZINC000013609589 555533220 /nfs/dbraw/zinc/53/32/20/555533220.db2.gz AAKDCTJAFRMZLY-UHFFFAOYSA-N 0 0 472.850 6.109 40 0 JKABRN CN(c1ccc2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2c1)S(C)(=O)=O ZINC000013609772 555533510 /nfs/dbraw/zinc/53/35/10/555533510.db2.gz ZKFZUMOFMWCTKS-UHFFFAOYSA-N 0 0 452.557 5.342 40 0 JKABRN CN(c1ccc2sc(C(=O)Nc3c(F)cccc3F)cc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013609852 555533533 /nfs/dbraw/zinc/53/35/33/555533533.db2.gz NCVXPFGKBJQKEW-UHFFFAOYSA-N 0 0 492.956 5.910 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3ccccc3OC)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609984 555533727 /nfs/dbraw/zinc/53/37/27/555533727.db2.gz JORQYZSCRNZYMO-UHFFFAOYSA-N 0 0 480.611 5.686 40 0 JKABRN CCN(c1ccc2sc(C(=O)Nc3ccccc3F)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609963 555533786 /nfs/dbraw/zinc/53/37/86/555533786.db2.gz IONFIBMLRHLPKB-UHFFFAOYSA-N 0 0 468.575 5.816 40 0 JKABRN CCN(c1ccc2sc(C(=O)N3CCCCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013610003 555533984 /nfs/dbraw/zinc/53/39/84/555533984.db2.gz WKRYWIRPISSLQA-UHFFFAOYSA-N 0 0 456.633 5.441 40 0 JKABRN CCN(c1ccc2sc(C(=O)N(C)Cc3ccccc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609997 555534024 /nfs/dbraw/zinc/53/40/24/555534024.db2.gz PVUFKGLDAFWMCK-UHFFFAOYSA-N 0 0 478.639 5.697 40 0 JKABRN COCc1nn2c(nnc3c2C[C@@H](C=Cc2ccccc2)CC3=O)c1-c1ccc(Br)cc1 ZINC000013610845 555534394 /nfs/dbraw/zinc/53/43/94/555534394.db2.gz NMEAOGORXXMDIG-IWAYRVGRSA-N 0 0 489.373 5.159 40 0 JKABRN CCN(c1ccc(C(=O)NCCCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000013613370 555535354 /nfs/dbraw/zinc/53/53/54/555535354.db2.gz XZVNBYJJLUHCJR-UHFFFAOYSA-N 0 0 482.671 5.295 40 0 JKABRN CCOc1cccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000013613416 555535401 /nfs/dbraw/zinc/53/54/01/555535401.db2.gz VSEBRGBWFVMHGN-UHFFFAOYSA-N 0 0 479.385 5.226 40 0 JKABRN O=C(Nc1cccc2ccccc21)c1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000013614616 555535641 /nfs/dbraw/zinc/53/56/41/555535641.db2.gz YNVMSIVEXFOCSG-UHFFFAOYSA-N 0 0 495.376 7.260 40 0 JKABRN Cc1ccc2oc(-c3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3)nc2c1 ZINC000013615691 555536013 /nfs/dbraw/zinc/53/60/13/555536013.db2.gz ZFVNQXIYMBIHMB-UHFFFAOYSA-N 0 0 457.327 6.971 40 0 JKABRN CCOc1cc(-c2ccc(OC)c(OC)c2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c21 ZINC000013616254 555536258 /nfs/dbraw/zinc/53/62/58/555536258.db2.gz SXPOQQPROMDWMZ-BGABXYSRSA-N 0 0 457.570 6.982 40 0 JKABRN COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000013616840 555536950 /nfs/dbraw/zinc/53/69/50/555536950.db2.gz OJRIXRKVRLPYEI-JMIUGGIZSA-N 0 0 472.299 6.065 40 0 JKABRN Cc1cc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1Cl ZINC000013628044 555539829 /nfs/dbraw/zinc/53/98/29/555539829.db2.gz JTPJGUYEOLDXCP-UHFFFAOYSA-N 0 0 450.966 6.216 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628132 555539848 /nfs/dbraw/zinc/53/98/48/555539848.db2.gz WKANWGRLASXAPF-INIZCTEOSA-N 0 0 485.411 6.949 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628120 555539948 /nfs/dbraw/zinc/53/99/48/555539948.db2.gz DNNXWCVLCBPCMY-UHFFFAOYSA-N 0 0 450.966 6.216 40 0 JKABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628340 555540221 /nfs/dbraw/zinc/54/02/21/555540221.db2.gz QBPLHJULMPJRTH-QGZVFWFLSA-N 0 0 450.966 6.296 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628135 555540251 /nfs/dbraw/zinc/54/02/51/555540251.db2.gz WKANWGRLASXAPF-MRXNPFEDSA-N 0 0 485.411 6.949 40 0 JKABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628875 555540514 /nfs/dbraw/zinc/54/05/14/555540514.db2.gz BLRGOPGSTYOXFK-UHFFFAOYSA-N 0 0 489.641 6.150 40 0 JKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccccc3Cl)c2)cc1 ZINC000013628655 555540587 /nfs/dbraw/zinc/54/05/87/555540587.db2.gz IBPYBVXEOBTJIF-UHFFFAOYSA-N 0 0 466.006 6.017 40 0 JKABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCc2ccccc21 ZINC000013632089 555541779 /nfs/dbraw/zinc/54/17/79/555541779.db2.gz YYVRZLIGLMVMQD-UHFFFAOYSA-N 0 0 475.397 5.168 40 0 JKABRN C[C@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013632042 555541783 /nfs/dbraw/zinc/54/17/83/555541783.db2.gz ARTWGLCVBDQHCI-IBGZPJMESA-N 0 0 485.049 5.710 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2cccc(C)c2)cc1 ZINC000013632374 555542210 /nfs/dbraw/zinc/54/22/10/555542210.db2.gz OUOXDXGCMFEOMB-JOCHJYFZSA-N 0 0 478.658 5.674 40 0 JKABRN CCn1c(SCc2nnc(-c3cccc(OC)c3)o2)nnc1-c1ccc(Br)cc1 ZINC000019927740 555542500 /nfs/dbraw/zinc/54/25/00/555542500.db2.gz ZJTUSSSVZRHVNP-UHFFFAOYSA-N 0 0 472.368 5.078 40 0 JKABRN CCn1c(SCc2nnc(-c3ccccc3OC)o2)nnc1-c1ccc(Br)cc1 ZINC000019927748 555542519 /nfs/dbraw/zinc/54/25/19/555542519.db2.gz JSGDODUXPHANSJ-UHFFFAOYSA-N 0 0 472.368 5.078 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c(C)c1 ZINC000013632756 555542611 /nfs/dbraw/zinc/54/26/11/555542611.db2.gz SYPCCJVLBHMABW-UHFFFAOYSA-N 0 0 480.586 5.150 40 0 JKABRN CC(C)(C)c1ccc(-c2nnc(CSc3n[nH]c(-c4ccc(Br)cc4)n3)o2)cc1 ZINC000019927910 555542851 /nfs/dbraw/zinc/54/28/51/555542851.db2.gz BYARRKWXMIDWOA-UHFFFAOYSA-N 0 0 470.396 5.874 40 0 JKABRN CC(C)(C)c1ccc(-c2nnc(CSc3nnc(-c4ccc(Br)cc4)o3)o2)cc1 ZINC000019927952 555543220 /nfs/dbraw/zinc/54/32/20/555543220.db2.gz XLMYJPRTNIWTGL-UHFFFAOYSA-N 0 0 471.380 6.139 40 0 JKABRN Cc1ccc(OCc2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)cc1C ZINC000019928072 555543225 /nfs/dbraw/zinc/54/32/25/555543225.db2.gz FKWOUSDGRCWSFR-UHFFFAOYSA-N 0 0 463.346 5.915 40 0 JKABRN O=C(CSc1nc2sc3c(c2c(=O)n1-c1cccc2ccccc21)CCCC3)Nc1ccccc1 ZINC000013633760 555543555 /nfs/dbraw/zinc/54/35/55/555543555.db2.gz GATIDLRXEGAOKL-UHFFFAOYSA-N 0 0 497.645 6.210 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000013633619 555543587 /nfs/dbraw/zinc/54/35/87/555543587.db2.gz HJQAWSYVGVAODO-UHFFFAOYSA-N 0 0 491.950 5.877 40 0 JKABRN O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000013634406 555543970 /nfs/dbraw/zinc/54/39/70/555543970.db2.gz DJSQFACBBHNJRJ-ZDUSSCGKSA-N 0 0 471.405 5.153 40 0 JKABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)c1 ZINC000019928316 555544005 /nfs/dbraw/zinc/54/40/05/555544005.db2.gz VVSSUELDULJXDH-UHFFFAOYSA-N 0 0 475.595 6.187 40 0 JKABRN Cc1nn2c(nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1ccc(Br)cc1 ZINC000013635794 555545004 /nfs/dbraw/zinc/54/50/04/555545004.db2.gz PQHACTKVDAJRLM-UHFFFAOYSA-N 0 0 450.340 5.040 40 0 JKABRN Cc1nn2c(nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1-c1ccc(F)cc1 ZINC000013635648 555545091 /nfs/dbraw/zinc/54/50/91/555545091.db2.gz LTQYLIHYHGBXPP-UHFFFAOYSA-N 0 0 453.477 5.592 40 0 JKABRN Cc1nn2c(nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C)c1-c1cccc2ccccc21 ZINC000013635693 555545125 /nfs/dbraw/zinc/54/51/25/555545125.db2.gz MSIUYCDXBKEFMR-UHFFFAOYSA-N 0 0 461.447 5.832 40 0 JKABRN COCc1nn2c(ncc3c2C[C@@H](c2ccccc2)CC3=O)c1-c1ccc(Br)cc1 ZINC000013638384 555545680 /nfs/dbraw/zinc/54/56/80/555545680.db2.gz DNEIXGDRMMKLMM-QGZVFWFLSA-N 0 0 462.347 5.218 40 0 JKABRN COCc1nn2c(ncc3c2C[C@@H](c2cccs2)CC3=O)c1-c1ccc(Br)cc1 ZINC000013638408 555545746 /nfs/dbraw/zinc/54/57/46/555545746.db2.gz UEKZDYPPPSCXGF-CQSZACIVSA-N 0 0 468.376 5.279 40 0 JKABRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2cccc(Br)c2)o1 ZINC000019929285 555545864 /nfs/dbraw/zinc/54/58/64/555545864.db2.gz NLCLIEIAVAWENK-UHFFFAOYSA-N 0 0 468.760 5.104 40 0 JKABRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccccc2Br)o1 ZINC000019929281 555545879 /nfs/dbraw/zinc/54/58/79/555545879.db2.gz KPFHGZQJWJYNOQ-UHFFFAOYSA-N 0 0 468.760 5.104 40 0 JKABRN COCc1nn2c(ncc3c2C[C@H](/C=C/c2ccccc2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013638473 555545909 /nfs/dbraw/zinc/54/59/09/555545909.db2.gz WVMHAMNBYFEVMA-YXBWYFRISA-N 0 0 469.541 5.018 40 0 JKABRN Cc1cc(Cl)ccc1OCc1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)o1 ZINC000019929308 555546174 /nfs/dbraw/zinc/54/61/74/555546174.db2.gz HMYLASGGTDSIEV-UHFFFAOYSA-N 0 0 483.764 6.260 40 0 JKABRN CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1cc(Cl)ccc1OC ZINC000019929401 555546517 /nfs/dbraw/zinc/54/65/17/555546517.db2.gz YAVNBSGCJWUBHQ-UHFFFAOYSA-N 0 0 496.807 6.276 40 0 JKABRN Cn1ccnc1SCC(=O)N1C[C@@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)OC1(C)C ZINC000013640527 555546867 /nfs/dbraw/zinc/54/68/67/555546867.db2.gz LIZKCSLUUVROPR-VFZVCRERSA-N 0 0 499.765 6.279 40 0 JKABRN O=c1/c(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)sc2nc3ccccc3n12 ZINC000013640434 555546928 /nfs/dbraw/zinc/54/69/28/555546928.db2.gz SGEFGFRXJHDIPH-CIAFOILYSA-N 0 0 497.801 5.452 40 0 JKABRN CCN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929888 555547226 /nfs/dbraw/zinc/54/72/26/555547226.db2.gz HOIJAWQPXGFHOJ-UHFFFAOYSA-N 0 0 488.993 5.099 40 0 JKABRN CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccc(OC)cc1 ZINC000019931456 555548787 /nfs/dbraw/zinc/54/87/87/555548787.db2.gz VDEAODAYYAYNQC-SQHAQQRYSA-N 0 0 495.044 6.004 40 0 JKABRN CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccc(OC)cc1 ZINC000019931462 555548835 /nfs/dbraw/zinc/54/88/35/555548835.db2.gz VDEAODAYYAYNQC-RPLLCQBOSA-N 0 0 495.044 6.004 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000019931689 555549166 /nfs/dbraw/zinc/54/91/66/555549166.db2.gz KBDGZWUSQSEHIB-VWLOTQADSA-N 0 0 466.603 5.322 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)c(Cl)c2)cc1 ZINC000019931655 555549250 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CXERWENASSGHPO-UHFFFAOYSA-N 0 0 463.386 5.592 40 0 JKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013680407 555572913 /nfs/dbraw/zinc/57/29/13/555572913.db2.gz QRHADFGHXDBMBW-ZDUSSCGKSA-N 0 0 496.243 5.481 40 0 JKABRN COc1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)cc2Cl)c(OC)c1OC ZINC000009973425 555573958 /nfs/dbraw/zinc/57/39/58/555573958.db2.gz CJHCVVTYIYGLIT-RMKNXTFCSA-N 0 0 456.391 5.082 40 0 JKABRN O=C(Nc1ccc2ccccc2c1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013681352 555574319 /nfs/dbraw/zinc/57/43/19/555574319.db2.gz LRMMOJHDDPFVKV-UHFFFAOYSA-N 0 0 477.413 5.327 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)ccc21 ZINC000013681375 555574372 /nfs/dbraw/zinc/57/43/72/555574372.db2.gz KITWWXKACKBIJG-UHFFFAOYSA-N 0 0 477.630 5.616 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)cc1 ZINC000013681539 555574655 /nfs/dbraw/zinc/57/46/55/555574655.db2.gz CPVYDAASBGUJDH-UHFFFAOYSA-N 0 0 485.414 5.045 40 0 JKABRN Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000019973035 555574901 /nfs/dbraw/zinc/57/49/01/555574901.db2.gz IZEMWYLGHPJQBS-HSZRJFAPSA-N 0 0 488.617 5.024 40 0 JKABRN Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N(Cc3cccs3)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000019973037 555575032 /nfs/dbraw/zinc/57/50/32/555575032.db2.gz GXCUZWQKHGHJLI-RUZDIDTESA-N 0 0 498.656 5.431 40 0 JKABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccco1)Cc1ccccc1 ZINC000019973094 555575284 /nfs/dbraw/zinc/57/52/84/555575284.db2.gz QCNUEFIDRSMQPS-AREMUKBSSA-N 0 0 496.615 5.353 40 0 JKABRN CN(c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1)S(=O)(=O)c1cccs1 ZINC000013682136 555575642 /nfs/dbraw/zinc/57/56/42/555575642.db2.gz IIJQTDGBPQSRET-UHFFFAOYSA-N 0 0 475.806 5.786 40 0 JKABRN Cc1cc(C)c(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)sc2c3CCCC2)c(C)c1 ZINC000019996478 555577042 /nfs/dbraw/zinc/57/70/42/555577042.db2.gz AUNIRNMZDBDMQU-UHFFFAOYSA-N 0 0 457.599 5.568 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc(C)c1Br ZINC000013683693 555577557 /nfs/dbraw/zinc/57/75/57/555577557.db2.gz VIFGBVCVMZFKJL-UHFFFAOYSA-N 0 0 481.390 5.056 40 0 JKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000013683796 555577594 /nfs/dbraw/zinc/57/75/94/555577594.db2.gz NNBZVTKSCYKKNI-OAHLLOKOSA-N 0 0 487.781 5.611 40 0 JKABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(Br)c1 ZINC000013683881 555577917 /nfs/dbraw/zinc/57/79/17/555577917.db2.gz MGCSEJZHYMQFDW-UHFFFAOYSA-N 0 0 481.390 5.520 40 0 JKABRN CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(Br)c1 ZINC000013683844 555577938 /nfs/dbraw/zinc/57/79/38/555577938.db2.gz BDJITKCQJORFPZ-KRWDZBQOSA-N 0 0 481.390 5.520 40 0 JKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c(Br)c1 ZINC000013683975 555577966 /nfs/dbraw/zinc/57/79/66/555577966.db2.gz RYNKXONJVDMWDS-UHFFFAOYSA-N 0 0 485.378 5.287 40 0 JKABRN CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(Br)c1 ZINC000013683833 555577979 /nfs/dbraw/zinc/57/79/79/555577979.db2.gz IMECWDLLSUCACO-UHFFFAOYSA-N 0 0 481.390 5.002 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000020004523 555578014 /nfs/dbraw/zinc/57/80/14/555578014.db2.gz BEZMNRJHXIMQLU-QHCPKHFHSA-N 0 0 471.022 5.102 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3ccccc32)c(C)c1 ZINC000020004452 555578052 /nfs/dbraw/zinc/57/80/52/555578052.db2.gz GWQULBNXGLBZOC-AREMUKBSSA-N 0 0 472.610 5.293 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(C)C)cc2)c(C)c1 ZINC000020004443 555578055 /nfs/dbraw/zinc/57/80/55/555578055.db2.gz WSIDJLJXLCEJGU-RUZDIDTESA-N 0 0 464.631 5.264 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 ZINC000020004538 555578067 /nfs/dbraw/zinc/57/80/67/555578067.db2.gz KZPAWHYFYUGRMR-JOCHJYFZSA-N 0 0 491.440 5.447 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(Cl)cccc2Cl)c(C)c1 ZINC000020004547 555578074 /nfs/dbraw/zinc/57/80/74/555578074.db2.gz VYDBPBRMARHJMR-NRFANRHFSA-N 0 0 491.440 5.447 40 0 JKABRN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 ZINC000013684347 555578247 /nfs/dbraw/zinc/57/82/47/555578247.db2.gz KTIKPDRGXIPPJS-HNNXBMFYSA-N 0 0 487.781 5.611 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000020004561 555578332 /nfs/dbraw/zinc/57/83/32/555578332.db2.gz KRYSPHQYLLQRIM-JOCHJYFZSA-N 0 0 491.440 5.447 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000020004590 555578362 /nfs/dbraw/zinc/57/83/62/555578362.db2.gz QNEHFILGLMIPBV-JOCHJYFZSA-N 0 0 490.547 5.159 40 0 JKABRN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000013684615 555578547 /nfs/dbraw/zinc/57/85/47/555578547.db2.gz XTAOHAIVUNWWMB-UHFFFAOYSA-N 0 0 450.538 5.490 40 0 JKABRN Cc1cc(C)c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000020004810 555578626 /nfs/dbraw/zinc/57/86/26/555578626.db2.gz MYTJUGBFDXVCME-DEOSSOPVSA-N 0 0 464.631 5.065 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)c(C)c1 ZINC000020004824 555578702 /nfs/dbraw/zinc/57/87/02/555578702.db2.gz UZGJBHHGVVDRNJ-RUZDIDTESA-N 0 0 478.658 5.572 40 0 JKABRN CSc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020004975 555578836 /nfs/dbraw/zinc/57/88/36/555578836.db2.gz WRONYUJHVNLNSN-BWKNWUBXSA-N 0 0 496.698 5.101 40 0 JKABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1OC ZINC000013685505 555578898 /nfs/dbraw/zinc/57/88/98/555578898.db2.gz RDGKJDBPFQYTET-HXUWFJFHSA-N 0 0 498.579 5.236 40 0 JKABRN Cc1cc(I)ccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687686 555580856 /nfs/dbraw/zinc/58/08/56/555580856.db2.gz ZPPQZRGFZDJUDV-UHFFFAOYSA-N 0 0 477.729 6.084 40 0 JKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007997 555582523 /nfs/dbraw/zinc/58/25/23/555582523.db2.gz AWYDCLQQTTWRPO-AREMUKBSSA-N 0 0 490.556 5.146 40 0 JKABRN O=C(Nc1ccccc1Oc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008191 555582679 /nfs/dbraw/zinc/58/26/79/555582679.db2.gz GYZAEITXAIMFPD-RUZDIDTESA-N 0 0 490.556 5.146 40 0 JKABRN O=C(Nc1ccccc1Oc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008188 555582762 /nfs/dbraw/zinc/58/27/62/555582762.db2.gz GYZAEITXAIMFPD-VWLOTQADSA-N 0 0 490.556 5.146 40 0 JKABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000020009583 555585151 /nfs/dbraw/zinc/58/51/51/555585151.db2.gz RVILDQFKBMXIHZ-QHCPKHFHSA-N 0 0 495.000 5.030 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccc(Cl)cc2)cc1 ZINC000020010594 555586482 /nfs/dbraw/zinc/58/64/82/555586482.db2.gz PSFSNFURCUGETI-RUZDIDTESA-N 0 0 483.033 5.033 40 0 JKABRN C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020010657 555586710 /nfs/dbraw/zinc/58/67/10/555586710.db2.gz IKDAERBBBFJGCY-KRWDZBQOSA-N 0 0 477.413 5.062 40 0 JKABRN CSc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020010701 555586747 /nfs/dbraw/zinc/58/67/47/555586747.db2.gz BJWWKCOMDQSQQZ-GOSISDBHSA-N 0 0 489.062 5.130 40 0 JKABRN C[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020010722 555586792 /nfs/dbraw/zinc/58/67/92/555586792.db2.gz PBAOLJVOKRHNLS-GOSISDBHSA-N 0 0 491.440 5.104 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000020011559 555587578 /nfs/dbraw/zinc/58/75/78/555587578.db2.gz SNVOKRKVRRALCW-UHFFFAOYSA-N 0 0 499.366 5.410 40 0 JKABRN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(F)ccc1F ZINC000020011605 555587598 /nfs/dbraw/zinc/58/75/98/555587598.db2.gz FAGWJPHSSSXVOD-UHFFFAOYSA-N 0 0 485.339 5.101 40 0 JKABRN C[C@@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020011768 555587851 /nfs/dbraw/zinc/58/78/51/555587851.db2.gz DPRZGKCVBRCFFD-MRXNPFEDSA-N 0 0 495.403 5.201 40 0 JKABRN Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020011711 555587871 /nfs/dbraw/zinc/58/78/71/555587871.db2.gz YOPVIPNPGMCUDN-SFHVURJKSA-N 0 0 491.440 5.370 40 0 JKABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(F)ccc1F ZINC000020011928 555588080 /nfs/dbraw/zinc/58/80/80/555588080.db2.gz KDCCOTXBYVWCBN-UHFFFAOYSA-N 0 0 485.339 5.101 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000020012418 555588705 /nfs/dbraw/zinc/58/87/05/555588705.db2.gz YDAOKLYCWWPDDT-UHFFFAOYSA-N 0 0 495.403 5.579 40 0 JKABRN CC[C@H](C(=O)Nc1ccc(CSc2ccccc2)cc1C)N(c1ccccc1)S(C)(=O)=O ZINC000013711343 555588809 /nfs/dbraw/zinc/58/88/09/555588809.db2.gz YPOBOLLVQDTCDR-XMMPIXPASA-N 0 0 468.644 5.471 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)Cc2ccccc2Cl)cc1 ZINC000020012557 555588807 /nfs/dbraw/zinc/58/88/07/555588807.db2.gz DTLRXVXWISVJQY-VWLOTQADSA-N 0 0 483.033 5.033 40 0 JKABRN CSc1ccc([C@@H](C)NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020012633 555588853 /nfs/dbraw/zinc/58/88/53/555588853.db2.gz MLYRNMRBLGEMRF-OAQYLSRUSA-N 0 0 482.671 5.094 40 0 JKABRN CC[C@H](C(=O)Nc1ccc(CSc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711339 555588927 /nfs/dbraw/zinc/58/89/27/555588927.db2.gz MLILHRGZHMUJQV-HSZRJFAPSA-N 0 0 454.617 5.162 40 0 JKABRN CSc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020012780 555589211 /nfs/dbraw/zinc/58/92/11/555589211.db2.gz SIQNYLZUAWIASX-JOCHJYFZSA-N 0 0 496.698 5.402 40 0 JKABRN CC[C@@H](C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711415 555589223 /nfs/dbraw/zinc/58/92/23/555589223.db2.gz JVAXDUXGIHEPIQ-KSUQMOORSA-N 0 0 466.647 5.338 40 0 JKABRN Cc1ccc(CN(CC(=O)Nc2ccc(F)c(F)c2F)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013431 555589305 /nfs/dbraw/zinc/58/93/05/555589305.db2.gz CZVADHSGMWFDHO-UHFFFAOYSA-N 0 0 490.547 5.167 40 0 JKABRN Cc1ccc(CN(CC(=O)Nc2cc(F)ccc2C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013440 555589345 /nfs/dbraw/zinc/58/93/45/555589345.db2.gz NZPYBBIKXCVTLB-UHFFFAOYSA-N 0 0 468.594 5.197 40 0 JKABRN 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ZINC000020041705 555613983 /nfs/dbraw/zinc/61/39/83/555613983.db2.gz YRBPQKNIUFNVBR-UHFFFAOYSA-N 0 0 475.035 5.594 40 0 JKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC ZINC000020042309 555614289 /nfs/dbraw/zinc/61/42/89/555614289.db2.gz QYYAPDRRCWUXNV-AWYKWWOESA-N 0 0 451.632 6.291 40 0 JKABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000020042423 555614313 /nfs/dbraw/zinc/61/43/13/555614313.db2.gz IUDFFMJKEZXPGF-XMMPIXPASA-N 0 0 487.021 5.120 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000020042392 555614326 /nfs/dbraw/zinc/61/43/26/555614326.db2.gz LCBFRMQKCZKGLL-UHFFFAOYSA-N 0 0 477.413 5.465 40 0 JKABRN CCOc1ccc(CCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1OCC ZINC000020042555 555614344 /nfs/dbraw/zinc/61/43/44/555614344.db2.gz QQKDAUBZWTXHPC-UHFFFAOYSA-N 0 0 456.435 5.773 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000020042216 555614440 /nfs/dbraw/zinc/61/44/40/555614440.db2.gz NICRNLLSOIUFMJ-IBGZPJMESA-N 0 0 452.576 5.325 40 0 JKABRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013770821 555614895 /nfs/dbraw/zinc/61/48/95/555614895.db2.gz PCHRNFDRVIKOHO-FKBYEOEOSA-N 0 0 453.325 5.353 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3Br)c2)cc1 ZINC000020043310 555614998 /nfs/dbraw/zinc/61/49/98/555614998.db2.gz WTPGNBJFSYQEKQ-UHFFFAOYSA-N 0 0 479.783 5.464 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(OC(C)C)c3)cc2Cl)cc1 ZINC000020043987 555615328 /nfs/dbraw/zinc/61/53/28/555615328.db2.gz XBPGJQLAKMKGCO-UHFFFAOYSA-N 0 0 458.967 5.489 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1)c1ccc(OC)cc1 ZINC000020044080 555615343 /nfs/dbraw/zinc/61/53/43/555615343.db2.gz BZTVOATXFVCWNM-XMMPIXPASA-N 0 0 484.643 5.123 40 0 JKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000020044214 555615595 /nfs/dbraw/zinc/61/55/95/555615595.db2.gz NLHLDFIGOBJHPM-QGZVFWFLSA-N 0 0 472.994 5.418 40 0 JKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000020044211 555615655 /nfs/dbraw/zinc/61/56/55/555615655.db2.gz NLHLDFIGOBJHPM-KRWDZBQOSA-N 0 0 472.994 5.418 40 0 JKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000020044739 555615951 /nfs/dbraw/zinc/61/59/51/555615951.db2.gz MXIUQCDQNDRJAG-HSZRJFAPSA-N 0 0 487.021 5.862 40 0 JKABRN CC(C)C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000020045648 555616279 /nfs/dbraw/zinc/61/62/79/555616279.db2.gz WVDKTKNPCMATPJ-LEAFIULHSA-N 0 0 493.072 6.631 40 0 JKABRN CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013776147 555616415 /nfs/dbraw/zinc/61/64/15/555616415.db2.gz TUOGVVHZFULDKU-AEMJNJESSA-N 0 0 471.395 5.344 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N(C)C2CCCC2)cc1 ZINC000020045869 555616607 /nfs/dbraw/zinc/61/66/07/555616607.db2.gz XYBXIIXZPTZGGE-UHFFFAOYSA-N 0 0 497.060 6.059 40 0 JKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000020046968 555617200 /nfs/dbraw/zinc/61/72/00/555617200.db2.gz HBONLEHZPTWLGM-SANMLTNESA-N 0 0 474.582 5.745 40 0 JKABRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000013778223 555617349 /nfs/dbraw/zinc/61/73/49/555617349.db2.gz JVAPSYWNJQZRSO-VABKMULXSA-N 0 0 483.351 5.443 40 0 JKABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000020046983 555617579 /nfs/dbraw/zinc/61/75/79/555617579.db2.gz KVCHBINHVSLXRS-HXUWFJFHSA-N 0 0 498.670 5.188 40 0 JKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000020047255 555617642 /nfs/dbraw/zinc/61/76/42/555617642.db2.gz WDWSOKWLOLPTCG-LJQANCHMSA-N 0 0 452.576 5.073 40 0 JKABRN CC[C@H](NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000020048348 555618283 /nfs/dbraw/zinc/61/82/83/555618283.db2.gz YXSVRUAVDOOZCO-QHCPKHFHSA-N 0 0 471.022 5.420 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccccc2Cl)cc1 ZINC000020048633 555618358 /nfs/dbraw/zinc/61/83/58/555618358.db2.gz JGIWPROMNREARJ-FQEVSTJZSA-N 0 0 471.022 5.338 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(C)cc1 ZINC000020050189 555619432 /nfs/dbraw/zinc/61/94/32/555619432.db2.gz ATZXYBNEQUDQMP-HSZRJFAPSA-N 0 0 456.995 5.355 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2C)cc1C ZINC000020050342 555619641 /nfs/dbraw/zinc/61/96/41/555619641.db2.gz YKVCVJVHYPFPRF-RUZDIDTESA-N 0 0 464.631 5.930 40 0 JKABRN O=S(=O)(NCCSCc1ccc(Cl)cc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000020050510 555619693 /nfs/dbraw/zinc/61/96/93/555619693.db2.gz KGWKKGRVCWYZTK-UHFFFAOYSA-N 0 0 468.427 5.997 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)ccc1C ZINC000020050515 555619726 /nfs/dbraw/zinc/61/97/26/555619726.db2.gz HRVBHCQIMSVBSH-NDEPHWFRSA-N 0 0 484.621 5.932 40 0 JKABRN Cc1ccc(CCCNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010110471 555620226 /nfs/dbraw/zinc/62/02/26/555620226.db2.gz JVOMRDURLRLCNQ-UHFFFAOYSA-N 0 0 498.648 5.753 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2cccc(Cl)c2C)cc1 ZINC000010110677 555620828 /nfs/dbraw/zinc/62/08/28/555620828.db2.gz CSHQMVIRARJRHR-UHFFFAOYSA-N 0 0 485.049 5.210 40 0 JKABRN Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000010110763 555621171 /nfs/dbraw/zinc/62/11/71/555621171.db2.gz SPJDMUOHWZNGSV-UHFFFAOYSA-N 0 0 450.604 5.084 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000010111805 555623120 /nfs/dbraw/zinc/62/31/20/555623120.db2.gz ASYALLHYOLGJDT-QFIPXVFZSA-N 0 0 478.658 5.674 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010111803 555623135 /nfs/dbraw/zinc/62/31/35/555623135.db2.gz WLAVTNNCNPXMQX-NRFANRHFSA-N 0 0 464.631 5.365 40 0 JKABRN Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000010111801 555623155 /nfs/dbraw/zinc/62/31/55/555623155.db2.gz SCFFILFIDZPULL-NRFANRHFSA-N 0 0 464.631 5.365 40 0 JKABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010111812 555623194 /nfs/dbraw/zinc/62/31/94/555623194.db2.gz ZOAUBFDOFWRRLI-HXUWFJFHSA-N 0 0 480.630 5.065 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111808 555623253 /nfs/dbraw/zinc/62/32/53/555623253.db2.gz IRVGCOQDFBYEEW-LJQANCHMSA-N 0 0 485.049 5.710 40 0 JKABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010111849 555623529 /nfs/dbraw/zinc/62/35/29/555623529.db2.gz WPVSLHVIDLGPOE-QFIPXVFZSA-N 0 0 492.685 5.928 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2cccc(Cl)c2)cc1 ZINC000010111853 555623554 /nfs/dbraw/zinc/62/35/54/555623554.db2.gz WNXGTZDNCYPJNW-FQEVSTJZSA-N 0 0 499.076 6.019 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2)cc1 ZINC000010111906 555623561 /nfs/dbraw/zinc/62/35/61/555623561.db2.gz ODLIMZKZXXUDLW-OAQYLSRUSA-N 0 0 494.657 5.374 40 0 JKABRN C[C@@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010111886 555623565 /nfs/dbraw/zinc/62/35/65/555623565.db2.gz ZQCYWJUEAIUQCJ-HXUWFJFHSA-N 0 0 480.630 5.420 40 0 JKABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010111842 555623616 /nfs/dbraw/zinc/62/36/16/555623616.db2.gz YXKPLGBBAGJIFT-JOCHJYFZSA-N 0 0 478.658 5.674 40 0 JKABRN O=C1[C@@H]2[C@H](c3ccccc3F)N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1 ZINC000013807019 555623715 /nfs/dbraw/zinc/62/37/15/555623715.db2.gz CMEDXUQINCEJCE-PVHODMMVSA-N 0 0 464.496 5.544 40 0 JKABRN C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111988 555623833 /nfs/dbraw/zinc/62/38/33/555623833.db2.gz QPQPLKZITUUXGV-WXTAPIANSA-N 0 0 462.615 5.842 40 0 JKABRN COc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010111932 555623846 /nfs/dbraw/zinc/62/38/46/555623846.db2.gz YLVQHTKJHDAMIK-OAQYLSRUSA-N 0 0 494.657 5.374 40 0 JKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000020061209 555624002 /nfs/dbraw/zinc/62/40/02/555624002.db2.gz BBTNBTNCQALFQJ-QGZVFWFLSA-N 0 0 497.041 6.413 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000020061081 555624044 /nfs/dbraw/zinc/62/40/44/555624044.db2.gz VQODKMMESPXJIE-UHFFFAOYSA-N 0 0 497.831 5.543 40 0 JKABRN O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000020061207 555624063 /nfs/dbraw/zinc/62/40/63/555624063.db2.gz GKHLNNWHLYJYQA-UHFFFAOYSA-N 0 0 497.041 6.166 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2C)cc1C ZINC000010112006 555624186 /nfs/dbraw/zinc/62/41/86/555624186.db2.gz HZRWZTSAVRODGQ-OAQYLSRUSA-N 0 0 478.658 6.201 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2C)cc1 ZINC000010112032 555624269 /nfs/dbraw/zinc/62/42/69/555624269.db2.gz 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555765741 /nfs/dbraw/zinc/76/57/41/555765741.db2.gz AQRMAWJAPBGHOX-UHFFFAOYSA-N 0 0 450.416 5.935 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3N3CCCCC3)o2)cc1Cl ZINC000014271310 555765794 /nfs/dbraw/zinc/76/57/94/555765794.db2.gz FZFBHZXJJVZMOK-UHFFFAOYSA-N 0 0 453.995 6.026 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cc(Cl)ccc1Cl ZINC000014271380 555765955 /nfs/dbraw/zinc/76/59/55/555765955.db2.gz XQQDHKUTPLVYNH-UHFFFAOYSA-N 0 0 469.349 5.894 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000014271382 555765974 /nfs/dbraw/zinc/76/59/74/555765974.db2.gz WFKSQAHTZUYCNO-UHFFFAOYSA-N 0 0 469.349 5.894 40 0 JKABRN O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014271362 555766008 /nfs/dbraw/zinc/76/60/08/555766008.db2.gz MWRHINUXGQYCLO-UHFFFAOYSA-N 0 0 459.310 5.487 40 0 JKABRN O=C(NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cc(Cl)ccc1Cl ZINC000014271369 555766022 /nfs/dbraw/zinc/76/60/22/555766022.db2.gz FYRNXWAFJBYDOM-UHFFFAOYSA-N 0 0 469.349 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ZINC000014271969 555768280 /nfs/dbraw/zinc/76/82/80/555768280.db2.gz KQCMYSIMQKKICS-UHFFFAOYSA-N 0 0 458.699 5.567 40 0 JKABRN COc1ccc(Cl)cc1C(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000014272030 555768484 /nfs/dbraw/zinc/76/84/84/555768484.db2.gz WDWMXSNHDREQDR-UHFFFAOYSA-N 0 0 463.773 7.184 40 0 JKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000014272005 555768489 /nfs/dbraw/zinc/76/84/89/555768489.db2.gz YIRWDZRPGYUZHB-UHFFFAOYSA-N 0 0 457.382 7.066 40 0 JKABRN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000014272052 555768494 /nfs/dbraw/zinc/76/84/94/555768494.db2.gz YKELMYXEADJBGW-UHFFFAOYSA-N 0 0 471.453 7.815 40 0 JKABRN CC(C)c1ccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000014272041 555768513 /nfs/dbraw/zinc/76/85/13/555768513.db2.gz IHSYBBBHLJEABR-UHFFFAOYSA-N 0 0 471.409 7.411 40 0 JKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc(Br)ccc1OC ZINC000014271985 555768534 /nfs/dbraw/zinc/76/85/34/555768534.db2.gz RCWZTKGCRUABBA-UHFFFAOYSA-N 0 0 469.360 5.995 40 0 JKABRN CCCCOc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000014272058 555768800 /nfs/dbraw/zinc/76/88/00/555768800.db2.gz LHMFHTBLRSHXMR-UHFFFAOYSA-N 0 0 471.409 7.701 40 0 JKABRN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1Br ZINC000014272095 555768845 /nfs/dbraw/zinc/76/88/45/555768845.db2.gz YWDOHAVHJZCUFY-UHFFFAOYSA-N 0 0 456.727 5.907 40 0 JKABRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014272085 555768848 /nfs/dbraw/zinc/76/88/48/555768848.db2.gz LGKLRDCSEGTTMP-UHFFFAOYSA-N 0 0 462.336 7.357 40 0 JKABRN O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1cccc2c(Cl)cccc12 ZINC000014272233 555769047 /nfs/dbraw/zinc/76/90/47/555769047.db2.gz LXKIWXGMRIAODT-UHFFFAOYSA-N 0 0 467.739 7.861 40 0 JKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 ZINC000014272227 555769050 /nfs/dbraw/zinc/76/90/50/555769050.db2.gz ZXVGLTZJBZZABF-UHFFFAOYSA-N 0 0 469.368 7.160 40 0 JKABRN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4cccc5ccccc54)c3)nc2c1 ZINC000014272229 555769099 /nfs/dbraw/zinc/76/90/99/555769099.db2.gz XHXXDCIIURLLLM-UHFFFAOYSA-N 0 0 470.956 7.442 40 0 JKABRN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(C5CCCCC5)cc4)c3)oc2c(C)c1 ZINC000014272285 555769408 /nfs/dbraw/zinc/76/94/08/555769408.db2.gz XTTASKPMKASQDY-UHFFFAOYSA-N 0 0 454.570 7.177 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3)nc2c1 ZINC000014272252 555769428 /nfs/dbraw/zinc/76/94/28/555769428.db2.gz GZBFIJBBCKJDBC-AWEZNQCLSA-N 0 0 469.368 7.576 40 0 JKABRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000014272401 555769642 /nfs/dbraw/zinc/76/96/42/555769642.db2.gz NSSNQPLGEOWFOT-UHFFFAOYSA-N 0 0 454.957 7.986 40 0 JKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(C5CCCCC5)cc4)c3)nc2c1 ZINC000014272356 555769671 /nfs/dbraw/zinc/76/96/71/555769671.db2.gz LMKKTPREQAJJRT-UHFFFAOYSA-N 0 0 454.570 7.177 40 0 JKABRN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc(Cl)cc(Cl)c4OC)c3)nc2c1 ZINC000014272395 555769691 /nfs/dbraw/zinc/76/96/91/555769691.db2.gz 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555780096 /nfs/dbraw/zinc/78/00/96/555780096.db2.gz YQJRVRBDPQKFAC-UHFFFAOYSA-N 0 0 493.588 6.557 40 0 JKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c(F)c1F ZINC000014275308 555780392 /nfs/dbraw/zinc/78/03/92/555780392.db2.gz JTAMMUQDOQTLNR-UHFFFAOYSA-N 0 0 491.491 5.655 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(Cl)c(Cl)c1 ZINC000014275286 555780395 /nfs/dbraw/zinc/78/03/95/555780395.db2.gz HIFYTDGOXIDHOT-UHFFFAOYSA-N 0 0 477.760 5.977 40 0 JKABRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000014275313 555780426 /nfs/dbraw/zinc/78/04/26/555780426.db2.gz IIRNZUQYDVVIQB-UHFFFAOYSA-N 0 0 492.840 7.050 40 0 JKABRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1)C(c1ccccc1)c1ccccc1 ZINC000014275385 555780590 /nfs/dbraw/zinc/78/05/90/555780590.db2.gz SMQJAZZIJASWIP-UHFFFAOYSA-N 0 0 493.657 6.286 40 0 JKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000014275432 555780662 /nfs/dbraw/zinc/78/06/62/555780662.db2.gz 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Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(Br)c4)c3)nc2c1 ZINC000014275557 555781115 /nfs/dbraw/zinc/78/11/15/555781115.db2.gz TWZSTBSUEWBNHT-UHFFFAOYSA-N 0 0 480.387 6.001 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000014275548 555781169 /nfs/dbraw/zinc/78/11/69/555781169.db2.gz DWUNITGDPSNEGF-UHFFFAOYSA-N 0 0 495.604 6.907 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc5ccccc54)cc3)nc2c1 ZINC000020353324 555781182 /nfs/dbraw/zinc/78/11/82/555781182.db2.gz UUSTXPIIRCAGRT-GOSISDBHSA-N 0 0 479.605 7.288 40 0 JKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)COc1ccccc1C ZINC000014275551 555781186 /nfs/dbraw/zinc/78/11/86/555781186.db2.gz POKWRLPZDZEKCW-UHFFFAOYSA-N 0 0 489.597 5.827 40 0 JKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)nc21 ZINC000014275650 555781424 /nfs/dbraw/zinc/78/14/24/555781424.db2.gz YTCFDAJEJGLJHV-UHFFFAOYSA-N 0 0 476.410 6.607 40 0 JKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1nc2ccc(F)cc2s1 ZINC000014275632 555781441 /nfs/dbraw/zinc/78/14/41/555781441.db2.gz YCZDRHIUARLECJ-ZZXKWVIFSA-N 0 0 492.384 6.529 40 0 JKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)c1 ZINC000014275724 555781468 /nfs/dbraw/zinc/78/14/68/555781468.db2.gz WJCWZUKZUFYECQ-UHFFFAOYSA-N 0 0 495.604 6.810 40 0 JKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc2c(C)c1 ZINC000014275670 555781487 /nfs/dbraw/zinc/78/14/87/555781487.db2.gz BOJQJNLRKPJNFX-UHFFFAOYSA-N 0 0 476.410 6.607 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1Cl ZINC000014275728 555781690 /nfs/dbraw/zinc/78/16/90/555781690.db2.gz TUTPLKHBJLHCKY-UHFFFAOYSA-N 0 0 498.007 7.250 40 0 JKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 ZINC000014275876 555782010 /nfs/dbraw/zinc/78/20/10/555782010.db2.gz JKBCJXIXZSZLHW-UHFFFAOYSA-N 0 0 477.565 5.030 40 0 JKABRN CCc1cc(I)ccc1NC(=S)NC(=O)C=Cc1ccc(C(C)C)cc1 ZINC000014275971 555782313 /nfs/dbraw/zinc/78/23/13/555782313.db2.gz VEYJUPOJHAYBEA-KPKJPENVSA-N 0 0 478.399 5.503 40 0 JKABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1cccc2c(Br)cccc12 ZINC000014276007 555782515 /nfs/dbraw/zinc/78/25/15/555782515.db2.gz SZTIHSVZGKZNOX-UHFFFAOYSA-N 0 0 498.627 6.145 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cccs1 ZINC000014276026 555782518 /nfs/dbraw/zinc/78/25/18/555782518.db2.gz MLXISMABAZMQNC-UHFFFAOYSA-N 0 0 480.398 5.443 40 0 JKABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Br)cc1Cl ZINC000014276020 555782561 /nfs/dbraw/zinc/78/25/61/555782561.db2.gz GFJRPLXZWCHUDD-UHFFFAOYSA-N 0 0 492.620 5.309 40 0 JKABRN COc1cc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)ccc1NC(=O)c1cccs1 ZINC000014276043 555782873 /nfs/dbraw/zinc/78/28/73/555782873.db2.gz KJJCOPJLJQEJHD-UHFFFAOYSA-N 0 0 483.615 5.171 40 0 JKABRN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000014276134 555782877 /nfs/dbraw/zinc/78/28/77/555782877.db2.gz KGPGAENKHBGZHF-UHFFFAOYSA-N 0 0 489.984 5.908 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000014276176 555783049 /nfs/dbraw/zinc/78/30/49/555783049.db2.gz UEWZPLUGIAUOJG-UHFFFAOYSA-N 0 0 487.581 5.991 40 0 JKABRN O=C(Nc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1)c1cc2ccccc2o1 ZINC000014276161 555783056 /nfs/dbraw/zinc/78/30/56/555783056.db2.gz DBYLLGNBMMUYGY-UHFFFAOYSA-N 0 0 494.370 5.574 40 0 JKABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000014276198 555783057 /nfs/dbraw/zinc/78/30/57/555783057.db2.gz IWSJWYHRTYOAHA-UHFFFAOYSA-N 0 0 485.565 5.186 40 0 JKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000014276179 555783084 /nfs/dbraw/zinc/78/30/84/555783084.db2.gz LFAOIKPLVMTOCH-UHFFFAOYSA-N 0 0 479.945 5.474 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000014276501 555783593 /nfs/dbraw/zinc/78/35/93/555783593.db2.gz RTEODDGXLYQUOJ-SNVBAGLBSA-N 0 0 484.474 5.432 40 0 JKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000014276504 555784031 /nfs/dbraw/zinc/78/40/31/555784031.db2.gz RTEODDGXLYQUOJ-JTQLQIEISA-N 0 0 484.474 5.432 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000014276548 555784032 /nfs/dbraw/zinc/78/40/32/555784032.db2.gz NKUYQUBKPMUXKC-JBNJFFQFSA-N 0 0 476.067 5.178 40 0 JKABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000014276823 555784505 /nfs/dbraw/zinc/78/45/05/555784505.db2.gz FYWJNBNLOLHMOD-UHFFFAOYSA-N 0 0 495.048 5.069 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000014277300 555785658 /nfs/dbraw/zinc/78/56/58/555785658.db2.gz XTBRONQDPCBSOJ-UHFFFAOYSA-N 0 0 486.852 6.019 40 0 JKABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000014277285 555785701 /nfs/dbraw/zinc/78/57/01/555785701.db2.gz YEDIZUZRAPXQTI-UHFFFAOYSA-N 0 0 496.858 5.474 40 0 JKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000014277487 555785998 /nfs/dbraw/zinc/78/59/98/555785998.db2.gz HQSMKFAFKXCZMO-UHFFFAOYSA-N 0 0 495.387 7.791 40 0 JKABRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1sc2ccccc2c1Cl ZINC000014277533 555786232 /nfs/dbraw/zinc/78/62/32/555786232.db2.gz CIBKZYPDFASPJN-UHFFFAOYSA-N 0 0 489.836 8.391 40 0 JKABRN O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1cccnc1 ZINC000014277604 555786239 /nfs/dbraw/zinc/78/62/39/555786239.db2.gz BJDMWGDEAKYGLC-UHFFFAOYSA-N 0 0 489.192 6.136 40 0 JKABRN Cc1cc(OCC(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc(C)c1Cl ZINC000014277551 555786256 /nfs/dbraw/zinc/78/62/56/555786256.db2.gz UKKRVTFAVSANGV-UHFFFAOYSA-N 0 0 491.827 7.558 40 0 JKABRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 ZINC000014277548 555786272 /nfs/dbraw/zinc/78/62/72/555786272.db2.gz NDGHWEVJWAJCDB-UHFFFAOYSA-N 0 0 475.400 8.189 40 0 JKABRN CCCCCC(=O)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 ZINC000014277606 555786307 /nfs/dbraw/zinc/78/63/07/555786307.db2.gz ZGDUSJUOEAQTCY-UHFFFAOYSA-N 0 0 482.241 7.007 40 0 JKABRN O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccco1 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CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 ZINC000020528691 555792943 /nfs/dbraw/zinc/79/29/43/555792943.db2.gz MHUOUKACMQQGTE-LVJXIGIWSA-N 0 0 483.612 5.478 40 0 JKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 ZINC000020528619 555792955 /nfs/dbraw/zinc/79/29/55/555792955.db2.gz KPOXUHVJMFMLTH-UHFFFAOYSA-N 0 0 472.073 5.580 40 0 JKABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc2c(Br)cccc12 ZINC000014291284 555793125 /nfs/dbraw/zinc/79/31/25/555793125.db2.gz LCHARPXGVOSCQN-UHFFFAOYSA-N 0 0 494.374 5.338 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1 ZINC000020528788 555793230 /nfs/dbraw/zinc/79/32/30/555793230.db2.gz PWACKCOKJJFXPD-FQEVSTJZSA-N 0 0 486.056 5.566 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)ccc1Cl ZINC000020528770 555793248 /nfs/dbraw/zinc/79/32/48/555793248.db2.gz WQGFMZVRSXVOHG-UHFFFAOYSA-N 0 0 478.420 5.014 40 0 JKABRN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)c1 ZINC000020528958 555793704 /nfs/dbraw/zinc/79/37/04/555793704.db2.gz DCHMCELSHFZMJW-UHFFFAOYSA-N 0 0 458.002 5.076 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)cc4Cl)cc3)CC2)cc1 ZINC000020528969 555793724 /nfs/dbraw/zinc/79/37/24/555793724.db2.gz CTMGUKRJNDFFTE-UHFFFAOYSA-N 0 0 461.993 5.426 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)CC2)cc1 ZINC000020529080 555793994 /nfs/dbraw/zinc/79/39/94/555793994.db2.gz XCCJECHADCBMRC-UHFFFAOYSA-N 0 0 482.411 5.771 40 0 JKABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020529129 555794009 /nfs/dbraw/zinc/79/40/09/555794009.db2.gz FTEZAHSKCLEDDH-UHFFFAOYSA-N 0 0 466.320 5.128 40 0 JKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)CC2)cc1 ZINC000020529067 555794041 /nfs/dbraw/zinc/79/40/41/555794041.db2.gz FKGCEEANNVTIJC-UHFFFAOYSA-N 0 0 463.581 5.617 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000020530688 555798177 /nfs/dbraw/zinc/79/81/77/555798177.db2.gz WECWXQGDSADKNK-ACCUITESSA-N 0 0 458.880 6.125 40 0 JKABRN FC(F)(F)c1ccc(/C=C\c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1 ZINC000011679874 555798736 /nfs/dbraw/zinc/79/87/36/555798736.db2.gz ZTFBIUXIQYRUNT-JYRVWZFOSA-N 0 0 468.479 6.057 40 0 JKABRN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000014396770 555802529 /nfs/dbraw/zinc/80/25/29/555802529.db2.gz HBAQVTRJAMUFQO-UHFFFAOYSA-N 0 0 479.385 5.429 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000014396640 555802559 /nfs/dbraw/zinc/80/25/59/555802559.db2.gz PEQNGGYNDLEOSM-QGZVFWFLSA-N 0 0 480.973 5.700 40 0 JKABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000014397544 555803312 /nfs/dbraw/zinc/80/33/12/555803312.db2.gz FYFJUNDECQZPSG-SFHVURJKSA-N 0 0 476.554 5.055 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)c1 ZINC000014397451 555803324 /nfs/dbraw/zinc/80/33/24/555803324.db2.gz AFQAQVOKRFUAFY-UHFFFAOYSA-N 0 0 472.994 5.555 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cc1C ZINC000014398530 555804246 /nfs/dbraw/zinc/80/42/46/555804246.db2.gz BCEAMFURTFVOAB-UHFFFAOYSA-N 0 0 463.603 5.347 40 0 JKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000014398742 555804312 /nfs/dbraw/zinc/80/43/12/555804312.db2.gz OUDHEEAMQCUEBB-UHFFFAOYSA-N 0 0 458.967 5.247 40 0 JKABRN CS(=O)(=O)N(CCCC(=O)Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000014398950 555804606 /nfs/dbraw/zinc/80/46/06/555804606.db2.gz BRJNBPQONZUQAC-UHFFFAOYSA-N 0 0 470.205 5.485 40 0 JKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000014399321 555804803 /nfs/dbraw/zinc/80/48/03/555804803.db2.gz NARFGQKGVLXMBM-FQEVSTJZSA-N 0 0 480.630 5.808 40 0 JKABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000014399401 555804963 /nfs/dbraw/zinc/80/49/63/555804963.db2.gz SXYTVAKNOVUZBT-CQSZACIVSA-N 0 0 495.384 5.209 40 0 JKABRN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000014399874 555805210 /nfs/dbraw/zinc/80/52/10/555805210.db2.gz QMBRLYCKGFBMPR-UHFFFAOYSA-N 0 0 490.581 5.447 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)c1 ZINC000014399755 555805235 /nfs/dbraw/zinc/80/52/35/555805235.db2.gz UZDWBDHJQYYGHC-SFHVURJKSA-N 0 0 472.994 5.472 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(N2CCCCC2)cc1 ZINC000014400107 555805511 /nfs/dbraw/zinc/80/55/11/555805511.db2.gz YSNZJOBVMBHEET-UHFFFAOYSA-N 0 0 485.609 5.883 40 0 JKABRN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000014400244 555805578 /nfs/dbraw/zinc/80/55/78/555805578.db2.gz XPAYDXPZGRCMDM-UHFFFAOYSA-N 0 0 490.931 5.040 40 0 JKABRN O=C(CCCCCCCCCCC(=O)Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000020534002 555805930 /nfs/dbraw/zinc/80/59/30/555805930.db2.gz GYFADSFGWYUDLW-UHFFFAOYSA-N 0 0 480.652 8.471 40 0 JKABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000014400723 555806272 /nfs/dbraw/zinc/80/62/72/555806272.db2.gz KSUNVOPOLCGCNV-CYBMUJFWSA-N 0 0 483.348 5.339 40 0 JKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000014404813 555807086 /nfs/dbraw/zinc/80/70/86/555807086.db2.gz RPAJOIRIMYOCRA-UHFFFAOYSA-N 0 0 474.948 5.656 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000014404833 555807396 /nfs/dbraw/zinc/80/73/96/555807396.db2.gz CDDQENJZPDSYKX-UHFFFAOYSA-N 0 0 479.367 6.301 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000014404900 555807427 /nfs/dbraw/zinc/80/74/27/555807427.db2.gz NYVOJYWIKYWHJB-LICLKQGHSA-N 0 0 470.960 6.047 40 0 JKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000014405116 555807643 /nfs/dbraw/zinc/80/76/43/555807643.db2.gz YDNXKAHAPJCOKW-UHFFFAOYSA-N 0 0 479.367 6.301 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(OCC)c(OCC)c3)c2)c1C ZINC000014405426 555807999 /nfs/dbraw/zinc/80/79/99/555807999.db2.gz VENNQSZRCQPVCX-UHFFFAOYSA-N 0 0 478.593 5.602 40 0 JKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)Cc2cccc3ccccc32)c1C ZINC000014405587 555808043 /nfs/dbraw/zinc/80/80/43/555808043.db2.gz ONCZCFNROAWCAR-UHFFFAOYSA-N 0 0 454.574 5.887 40 0 JKABRN CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000014406311 555808171 /nfs/dbraw/zinc/80/81/71/555808171.db2.gz SLZUBJKHAVXLOE-UHFFFAOYSA-N 0 0 491.454 7.296 40 0 JKABRN Cc1ccc(N(Cc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1C ZINC000014410793 555809757 /nfs/dbraw/zinc/80/97/57/555809757.db2.gz OFGJARIQCQWCRC-UHFFFAOYSA-N 0 0 477.413 5.829 40 0 JKABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000014411219 555810385 /nfs/dbraw/zinc/81/03/85/555810385.db2.gz NJSGLRBCSHAPSH-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2cccc(C)c2C)cc1 ZINC000014411600 555810613 /nfs/dbraw/zinc/81/06/13/555810613.db2.gz BEWOYXNBFAMLDV-UHFFFAOYSA-N 0 0 477.413 5.753 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014411885 555810859 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Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)cc1 ZINC000014412571 555811655 /nfs/dbraw/zinc/81/16/55/555811655.db2.gz CRVUHDZRRBLROI-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000014412823 555812015 /nfs/dbraw/zinc/81/20/15/555812015.db2.gz CMOXOLZLXOCPAU-HNNXBMFYSA-N 0 0 479.385 5.579 40 0 JKABRN CCCCc1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000014412723 555812045 /nfs/dbraw/zinc/81/20/45/555812045.db2.gz JNWQIYDUTJUTBP-UHFFFAOYSA-N 0 0 452.576 5.226 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014413257 555812614 /nfs/dbraw/zinc/81/26/14/555812614.db2.gz FEQOMTWZMBPWFA-UHFFFAOYSA-N 0 0 456.995 5.606 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2F)cc1 ZINC000014413249 555812629 /nfs/dbraw/zinc/81/26/29/555812629.db2.gz WILWLDZBTIWSIL-UHFFFAOYSA-N 0 0 467.349 5.275 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2ccccc2Cl)cc1 ZINC000014413576 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S=c1[nH]nc(-c2ccncc2)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022111061 555878184 /nfs/dbraw/zinc/87/81/84/555878184.db2.gz VKPJPJBFVCSPMI-UHFFFAOYSA-N 0 0 458.374 5.632 40 0 JKABRN S=c1[nH]nc(-c2ccncc2)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022111069 555878211 /nfs/dbraw/zinc/87/82/11/555878211.db2.gz GSMFAVPEWAQOEE-UHFFFAOYSA-N 0 0 458.374 5.632 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022111015 555878265 /nfs/dbraw/zinc/87/82/65/555878265.db2.gz SQJKPPOZEOCXKP-UHFFFAOYSA-N 0 0 488.400 5.641 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022111115 555878303 /nfs/dbraw/zinc/87/83/03/555878303.db2.gz ZSABTWAUMIFXNA-UHFFFAOYSA-N 0 0 486.572 6.231 40 0 JKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022111524 555878607 /nfs/dbraw/zinc/87/86/07/555878607.db2.gz ISRSFWDMAUEYCU-UHFFFAOYSA-N 0 0 458.996 5.654 40 0 JKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000022111533 555878678 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CCOc1cc(CNc2nnnn2CC)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022111944 555879184 /nfs/dbraw/zinc/87/91/84/555879184.db2.gz WFSSBQPMJCZMGT-UHFFFAOYSA-N 0 0 456.761 5.243 40 0 JKABRN Cc1cc(Br)ccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000022143975 555881505 /nfs/dbraw/zinc/88/15/05/555881505.db2.gz QKCYBHZTRQYOQA-UHFFFAOYSA-N 0 0 480.387 5.187 40 0 JKABRN CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000012017504 555885321 /nfs/dbraw/zinc/88/53/21/555885321.db2.gz QLJHOAUIKCEVSN-FHWLQOOXSA-N 0 0 453.753 5.293 40 0 JKABRN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000015223682 555885865 /nfs/dbraw/zinc/88/58/65/555885865.db2.gz VUWVWRZJTGQLJO-KDXFCVBFSA-N 0 0 475.588 6.101 40 0 JKABRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000015223694 555886173 /nfs/dbraw/zinc/88/61/73/555886173.db2.gz HNJICQHIVMVAER-TVNKHIRZSA-N 0 0 491.587 5.801 40 0 JKABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)Nc1ccc(NC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc1)C2 ZINC000015224911 555886465 /nfs/dbraw/zinc/88/64/65/555886465.db2.gz GYERAPHNMJDEPR-BFHHXVSESA-N 0 0 466.670 6.552 40 0 JKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000015226968 555887424 /nfs/dbraw/zinc/88/74/24/555887424.db2.gz DWUDLYDWIZGSIW-SXGWCWSVSA-N 0 0 468.756 5.356 40 0 JKABRN COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)n2)cc1OC ZINC000015227713 555887561 /nfs/dbraw/zinc/88/75/61/555887561.db2.gz LIRPOLPPCIYPSN-VMPITWQZSA-N 0 0 494.425 5.661 40 0 JKABRN Cc1sc2nc(SCCOc3cccc4ccccc43)n(-c3ccccc3)c(=O)c2c1C ZINC000015230378 555889253 /nfs/dbraw/zinc/88/92/53/555889253.db2.gz CGFNSOFFENIQHC-UHFFFAOYSA-N 0 0 458.608 6.388 40 0 JKABRN CCCCc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000022231325 555890020 /nfs/dbraw/zinc/89/00/20/555890020.db2.gz AUEKMVQVSZMZAY-UHFFFAOYSA-N 0 0 466.603 5.013 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000022232126 555891429 /nfs/dbraw/zinc/89/14/29/555891429.db2.gz YXTCILSLZYDDIF-UHFFFAOYSA-N 0 0 495.000 5.477 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232150 555891445 /nfs/dbraw/zinc/89/14/45/555891445.db2.gz MZAZWSGJPFDCFG-UHFFFAOYSA-N 0 0 493.412 5.286 40 0 JKABRN CSc1ccccc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232332 555891668 /nfs/dbraw/zinc/89/16/68/555891668.db2.gz MSCICIJOSWEGAG-UHFFFAOYSA-N 0 0 491.034 5.046 40 0 JKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000022232617 555891938 /nfs/dbraw/zinc/89/19/38/555891938.db2.gz OAQMAYHPAIMJJM-UHFFFAOYSA-N 0 0 497.375 5.116 40 0 JKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)NCc2ccccc2)C1 ZINC000015276984 555892372 /nfs/dbraw/zinc/89/23/72/555892372.db2.gz SLYXBTYHJMOBGO-QGZVFWFLSA-N 0 0 452.645 6.143 40 0 JKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)NCc2ccccc2)C1 ZINC000015276986 555892621 /nfs/dbraw/zinc/89/26/21/555892621.db2.gz 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CCCCc1ccc(NC2=C[C@@H](c3ccc(OC)c(OC)c3)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015305112 555894693 /nfs/dbraw/zinc/89/46/93/555894693.db2.gz QGWOYLUXENZJHW-LJAQVGFWSA-N 0 0 498.667 7.473 40 0 JKABRN CCn1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237014 555894814 /nfs/dbraw/zinc/89/48/14/555894814.db2.gz FZHFNQFNVBWIIU-UHFFFAOYSA-N 0 0 497.439 5.021 40 0 JKABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)cn2C ZINC000022237458 555894896 /nfs/dbraw/zinc/89/48/96/555894896.db2.gz HOYRBDNCBBGXMQ-UHFFFAOYSA-N 0 0 458.358 5.227 40 0 JKABRN CCn1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237042 555894910 /nfs/dbraw/zinc/89/49/10/555894910.db2.gz XTEPJXOLSOXDFD-LBPRGKRZSA-N 0 0 467.285 5.294 40 0 JKABRN O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1OCc1ccc(I)cc1 ZINC000015305891 555894977 /nfs/dbraw/zinc/89/49/77/555894977.db2.gz GBJHXGPEEWHWHJ-XSFVSMFZSA-N 0 0 481.289 5.215 40 0 JKABRN Cc1ccc(C(=O)[C@]2(C)[C@@H]3c4cc(Br)ccc4OC(=O)[C@@]32C(=O)c2ccccc2)cc1 ZINC000015306229 555894997 /nfs/dbraw/zinc/89/49/97/555894997.db2.gz HFOMDZFZZQCRJR-MZBJOSPHSA-N 0 0 475.338 5.532 40 0 JKABRN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1Br ZINC000015305880 555895018 /nfs/dbraw/zinc/89/50/18/555895018.db2.gz UVILSXMFNDDBRM-KGENOOAVSA-N 0 0 478.342 5.771 40 0 JKABRN CN(C)c1ccc([C@@H](c2c[nH]c3ccccc32)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000012042792 555895076 /nfs/dbraw/zinc/89/50/76/555895076.db2.gz INUHUZJEGDHNFS-MUUNZHRXSA-N 0 0 454.658 7.715 40 0 JKABRN CN(C)c1ccc([C@H](c2c[nH]c3ccccc32)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000012042789 555895175 /nfs/dbraw/zinc/89/51/75/555895175.db2.gz INUHUZJEGDHNFS-NDEPHWFRSA-N 0 0 454.658 7.715 40 0 JKABRN CCc1ccc(-c2nc(CSc3nnc4n3c3ccccc3c(=O)n4CCCOC)cs2)cc1 ZINC000012046590 555895450 /nfs/dbraw/zinc/89/54/50/555895450.db2.gz CKSRICXUKDJUJZ-UHFFFAOYSA-N 0 0 491.642 5.059 40 0 JKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000022246070 555896083 /nfs/dbraw/zinc/89/60/83/555896083.db2.gz MLWHQUALOLEBMZ-UHFFFAOYSA-N 0 0 465.937 6.471 40 0 JKABRN CC(=O)Nc1ccc2ccccc2c1S[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1=O ZINC000022246813 555897057 /nfs/dbraw/zinc/89/70/57/555897057.db2.gz UUYSOMGVKQNORP-AREMUKBSSA-N 0 0 478.573 5.794 40 0 JKABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022248722 555898945 /nfs/dbraw/zinc/89/89/45/555898945.db2.gz BDPPDTSIWNYMPR-UHFFFAOYSA-N 0 0 499.338 5.060 40 0 JKABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000015325890 555899039 /nfs/dbraw/zinc/89/90/39/555899039.db2.gz RXPVOWLABXHICH-UHFFFAOYSA-N 0 0 487.046 5.669 40 0 JKABRN CCc1cccc(CC)c1NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O ZINC000022253706 555902088 /nfs/dbraw/zinc/90/20/88/555902088.db2.gz UZPKXMWPEAFKNM-UHFFFAOYSA-N 0 0 496.629 5.047 40 0 JKABRN CC[C@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255448 555903544 /nfs/dbraw/zinc/90/35/44/555903544.db2.gz ZQKSNORSAKNZKW-FQEVSTJZSA-N 0 0 490.003 6.718 40 0 JKABRN CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022255424 555903594 /nfs/dbraw/zinc/90/35/94/555903594.db2.gz PBUZPKWDSZDASC-UHFFFAOYSA-N 0 0 461.949 5.940 40 0 JKABRN Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4cccc(C)c4)no3)C3CCCC3)C2)cc1 ZINC000022255732 555903840 /nfs/dbraw/zinc/90/38/40/555903840.db2.gz HMFVCJFUTOVDNH-QHCPKHFHSA-N 0 0 458.606 5.541 40 0 JKABRN Cc1ccc(-c2noc(CN(C(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)C3CCCCC3)n2)cc1 ZINC000022255765 555903845 /nfs/dbraw/zinc/90/38/45/555903845.db2.gz KKWLPIFAYOWFRU-DEOSSOPVSA-N 0 0 472.633 5.931 40 0 JKABRN CCCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256018 555904051 /nfs/dbraw/zinc/90/40/51/555904051.db2.gz DIOMDWHWXYEYCB-SFHVURJKSA-N 0 0 487.431 6.007 40 0 JKABRN CCCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256013 555904126 /nfs/dbraw/zinc/90/41/26/555904126.db2.gz DIOMDWHWXYEYCB-GOSISDBHSA-N 0 0 487.431 6.007 40 0 JKABRN CC[C@@H](C)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256287 555904299 /nfs/dbraw/zinc/90/42/99/555904299.db2.gz LRNUVEXNTWTEII-IRLDBZIGSA-N 0 0 492.620 5.106 40 0 JKABRN CC[C@H](C)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256282 555904361 /nfs/dbraw/zinc/90/43/61/555904361.db2.gz LRNUVEXNTWTEII-RBBKRZOGSA-N 0 0 492.620 5.106 40 0 JKABRN Cc1cccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)c1 ZINC000022256911 555904921 /nfs/dbraw/zinc/90/49/21/555904921.db2.gz XXKOPIYFUOFAAM-UHFFFAOYSA-N 0 0 453.608 5.692 40 0 JKABRN O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022258490 555906007 /nfs/dbraw/zinc/90/60/07/555906007.db2.gz RKQPOERDOVPJBH-UHFFFAOYSA-N 0 0 497.038 6.466 40 0 JKABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(C)C)cc2)cc1C ZINC000022268298 555907000 /nfs/dbraw/zinc/90/70/00/555907000.db2.gz GQGFWNNYUJUSPA-RUZDIDTESA-N 0 0 480.630 5.045 40 0 JKABRN CCCCc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000022268625 555907794 /nfs/dbraw/zinc/90/77/94/555907794.db2.gz DCGZSUPKWXQLRY-SANMLTNESA-N 0 0 494.657 5.265 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000015418892 555908114 /nfs/dbraw/zinc/90/81/14/555908114.db2.gz RZJPCOJBSOIJDT-UHFFFAOYSA-N 0 0 464.465 5.076 40 0 JKABRN CCCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000012112432 555908373 /nfs/dbraw/zinc/90/83/73/555908373.db2.gz IYCQZHGRIARSEU-UHFFFAOYSA-N 0 0 469.603 6.153 40 0 JKABRN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015432053 555908482 /nfs/dbraw/zinc/90/84/82/555908482.db2.gz OPOULZZQKXWGCM-UHFFFAOYSA-N 0 0 463.386 5.186 40 0 JKABRN CCOC(=O)C1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000015441100 555909077 /nfs/dbraw/zinc/90/90/77/555909077.db2.gz DSAYOBQULYPJFC-RUZDIDTESA-N 0 0 494.632 6.121 40 0 JKABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)cc1 ZINC000015439190 555909234 /nfs/dbraw/zinc/90/92/34/555909234.db2.gz HAUFRVLTHFANFX-UHFFFAOYSA-N 0 0 495.782 5.164 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000022273489 555910378 /nfs/dbraw/zinc/91/03/78/555910378.db2.gz DVCGAXCYUFZUSR-UHFFFAOYSA-N 0 0 465.358 5.190 40 0 JKABRN CC(C)c1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274143 555910608 /nfs/dbraw/zinc/91/06/08/555910608.db2.gz AMUXJUBSWLLGBZ-UHFFFAOYSA-N 0 0 487.419 5.407 40 0 JKABRN Cc1ccc(C)c(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022273978 555910636 /nfs/dbraw/zinc/91/06/36/555910636.db2.gz VCEYXXCQMBSFJL-UHFFFAOYSA-N 0 0 486.593 5.930 40 0 JKABRN CC(C)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274134 555910691 /nfs/dbraw/zinc/91/06/91/555910691.db2.gz AKZJKIVITARFRN-UHFFFAOYSA-N 0 0 450.604 5.767 40 0 JKABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000022274230 555910980 /nfs/dbraw/zinc/91/09/80/555910980.db2.gz QLXJNMLSSYXLEH-UHFFFAOYSA-N 0 0 468.884 5.193 40 0 JKABRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 ZINC000022274528 555911230 /nfs/dbraw/zinc/91/12/30/555911230.db2.gz OVAUHQBREGIJQA-UHFFFAOYSA-N 0 0 484.499 5.693 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274456 555911250 /nfs/dbraw/zinc/91/12/50/555911250.db2.gz ZBZDRCTVFFXXPR-UHFFFAOYSA-N 0 0 460.555 5.073 40 0 JKABRN CC(C)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274368 555911305 /nfs/dbraw/zinc/91/13/05/555911305.db2.gz ARKMJQCIHPRBNR-UHFFFAOYSA-N 0 0 487.419 5.407 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 ZINC000022274778 555911546 /nfs/dbraw/zinc/91/15/46/555911546.db2.gz OTWGVAXXRJPVBN-UHFFFAOYSA-N 0 0 464.974 5.636 40 0 JKABRN Cc1ccc(C)c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000022274589 555911566 /nfs/dbraw/zinc/91/15/66/555911566.db2.gz NFHQEZXVTJEUSH-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000022274772 555911611 /nfs/dbraw/zinc/91/16/11/555911611.db2.gz HLWJSJVGKWAIBY-UHFFFAOYSA-N 0 0 456.995 5.606 40 0 JKABRN Cc1c(Cl)cccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000022274977 555911820 /nfs/dbraw/zinc/91/18/20/555911820.db2.gz LVRWLUSFMNUBPF-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000022274790 555911829 /nfs/dbraw/zinc/91/18/29/555911829.db2.gz JLVIQFITIGPDJG-UHFFFAOYSA-N 0 0 482.911 5.501 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C)cc2C)cc1 ZINC000022275428 555912400 /nfs/dbraw/zinc/91/24/00/555912400.db2.gz JRFCCULAKIPALR-UHFFFAOYSA-N 0 0 476.520 5.465 40 0 JKABRN CCc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275736 555912718 /nfs/dbraw/zinc/91/27/18/555912718.db2.gz DXJMNDGMTDSWDS-UHFFFAOYSA-N 0 0 450.604 5.515 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2ccc(C(C)C)cc2)cc1 ZINC000022275765 555912769 /nfs/dbraw/zinc/91/27/69/555912769.db2.gz ACCLLDPXPVACJG-UHFFFAOYSA-N 0 0 472.610 6.106 40 0 JKABRN CCc1ccccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275617 555912786 /nfs/dbraw/zinc/91/27/86/555912786.db2.gz VLWNGCCDAGXXNC-UHFFFAOYSA-N 0 0 476.520 5.410 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cccc(Cl)c2)cc1 ZINC000022276026 555913161 /nfs/dbraw/zinc/91/31/61/555913161.db2.gz JPIGMCCBGWXVAM-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)cc1 ZINC000022276158 555913402 /nfs/dbraw/zinc/91/34/02/555913402.db2.gz KOHSPYFOLDIUII-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(Br)cc2)cc1 ZINC000022276403 555913715 /nfs/dbraw/zinc/91/37/15/555913715.db2.gz YFULCHMWXOTUCH-UHFFFAOYSA-N 0 0 487.419 5.208 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cccc(Br)c2)cc1 ZINC000022276312 555913726 /nfs/dbraw/zinc/91/37/26/555913726.db2.gz QMKNDLOZCYGGIX-UHFFFAOYSA-N 0 0 493.810 5.245 40 0 JKABRN CCc1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276417 555913772 /nfs/dbraw/zinc/91/37/72/555913772.db2.gz VQRSYIBPEZRVKG-UHFFFAOYSA-N 0 0 487.419 5.154 40 0 JKABRN COc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276530 555914066 /nfs/dbraw/zinc/91/40/66/555914066.db2.gz LPRMWDCCQUZQKZ-UHFFFAOYSA-N 0 0 479.385 5.144 40 0 JKABRN CCOc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276571 555914078 /nfs/dbraw/zinc/91/40/78/555914078.db2.gz QFHCWIVSTSGFIT-UHFFFAOYSA-N 0 0 466.603 5.351 40 0 JKABRN CCOc1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276865 555914359 /nfs/dbraw/zinc/91/43/59/555914359.db2.gz LLMZOOLNRGQYPU-UHFFFAOYSA-N 0 0 492.519 5.247 40 0 JKABRN Cc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022277026 555914585 /nfs/dbraw/zinc/91/45/85/555914585.db2.gz 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/nfs/dbraw/zinc/93/38/36/555933836.db2.gz DHZFAPBJWFJPPA-XYOKQWHBSA-N 0 0 455.341 5.812 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(C(C)C)ccc3O)o2)cc1Cl ZINC000022537070 555933990 /nfs/dbraw/zinc/93/39/90/555933990.db2.gz PMRRUBVRMPASIK-DHZHZOJOSA-N 0 0 454.979 6.264 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 ZINC000022563183 555934620 /nfs/dbraw/zinc/93/46/20/555934620.db2.gz KQLJDRSPXJLQBV-UXHICEINSA-N 0 0 456.586 7.539 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2C)cc1 ZINC000022563201 555934631 /nfs/dbraw/zinc/93/46/31/555934631.db2.gz IQACXDNOISSDJI-LJQANCHMSA-N 0 0 456.586 7.458 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(CC)cc2)cc1 ZINC000022562444 555934648 /nfs/dbraw/zinc/93/46/48/555934648.db2.gz JPKMAOGSEIACEZ-UHFFFAOYSA-N 0 0 456.369 6.580 40 0 JKABRN CCCCc1ccc(-n2nc3ccc(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3n2)cc1 ZINC000022563303 555934788 /nfs/dbraw/zinc/93/47/88/555934788.db2.gz CHXBUGHMLLJBAB-FQEVSTJZSA-N 0 0 456.590 6.294 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 ZINC000022563274 555934913 /nfs/dbraw/zinc/93/49/13/555934913.db2.gz PVTQSCSNMJSOPQ-IBGZPJMESA-N 0 0 456.590 6.383 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4C)cc3n2)cc1 ZINC000022564496 555935308 /nfs/dbraw/zinc/93/53/08/555935308.db2.gz BWXRYZKPJFOYEB-UHFFFAOYSA-N 0 0 457.578 5.209 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4C)cc3n2)cc1 ZINC000022564510 555935352 /nfs/dbraw/zinc/93/53/52/555935352.db2.gz XKURXEMBYAPDAW-UHFFFAOYSA-N 0 0 457.578 5.209 40 0 JKABRN O=C(Nc1cccc(F)c1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675941 555935364 /nfs/dbraw/zinc/93/53/64/555935364.db2.gz IZWTXDPVPDGPSN-QFIPXVFZSA-N 0 0 454.465 5.084 40 0 biogenic,in-vitro JKABRN O=C(Nc1ccc(Cl)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675938 555935391 /nfs/dbraw/zinc/93/53/91/555935391.db2.gz YYOLNXZCSITGDM-QFIPXVFZSA-N 0 0 470.920 5.598 40 0 biogenic,in-vitro JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1 ZINC000022564591 555935526 /nfs/dbraw/zinc/93/55/26/555935526.db2.gz XAZVWSWVNRJXHO-UHFFFAOYSA-N 0 0 457.599 6.536 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3)nc2c1 ZINC000022564581 555935537 /nfs/dbraw/zinc/93/55/37/555935537.db2.gz VBXOPIPKJYHUKU-GOSISDBHSA-N 0 0 457.599 6.752 40 0 JKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000022564889 555935546 /nfs/dbraw/zinc/93/55/46/555935546.db2.gz QSBWFEXCKMBGHA-UHFFFAOYSA-N 0 0 458.395 6.397 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000022565460 555935915 /nfs/dbraw/zinc/93/59/15/555935915.db2.gz ZNAYWCCQIYRDIF-UHFFFAOYSA-N 0 0 458.558 6.570 40 0 JKABRN CCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3n2)cc1 ZINC000022565495 555935921 /nfs/dbraw/zinc/93/59/21/555935921.db2.gz GXXZTRYIYVIRJV-SFHVURJKSA-N 0 0 458.562 5.659 40 0 JKABRN CCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([C@H](C)CC)cc4)cc3n2)cc1 ZINC000022565500 555935942 /nfs/dbraw/zinc/93/59/42/555935942.db2.gz GXXZTRYIYVIRJV-GOSISDBHSA-N 0 0 458.562 5.659 40 0 JKABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000022566601 555936136 /nfs/dbraw/zinc/93/61/36/555936136.db2.gz NCIDQUQCTBOGKM-HSZRJFAPSA-N 0 0 459.398 5.777 40 0 JKABRN CCc1ccc2oc(-c3cc(NC(=O)COc4ccc([C@H](C)CC)cc4)ccc3Cl)nc2c1 ZINC000022571644 555937370 /nfs/dbraw/zinc/93/73/70/555937370.db2.gz SJABZRZHBOFCGL-QGZVFWFLSA-N 0 0 462.977 7.242 40 0 JKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc([C@@H](C)CC)cc4)c3)nc2c1 ZINC000022571639 555937408 /nfs/dbraw/zinc/93/74/08/555937408.db2.gz ZXZXSYNWPIOPJO-KRWDZBQOSA-N 0 0 462.977 7.242 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc4c(O)cccc34)o2)cc1Cl ZINC000022571536 555937422 /nfs/dbraw/zinc/93/74/22/555937422.db2.gz ICGZWNBGFPHQOP-ACCUITESSA-N 0 0 462.958 6.294 40 0 JKABRN CCc1ccc2oc(-c3cc(NC(=O)COc4ccc([C@@H](C)CC)cc4)ccc3Cl)nc2c1 ZINC000022571648 555937428 /nfs/dbraw/zinc/93/74/28/555937428.db2.gz SJABZRZHBOFCGL-KRWDZBQOSA-N 0 0 462.977 7.242 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2Cl)cc1 ZINC000022571279 555937431 /nfs/dbraw/zinc/93/74/31/555937431.db2.gz BOPSKVMDSBSRPN-UHFFFAOYSA-N 0 0 462.760 6.671 40 0 JKABRN c1csc(CCN2CN(c3nc4ccccc4s3)CN(c3nc4ccccc4s3)C2)c1 ZINC000022572786 555937732 /nfs/dbraw/zinc/93/77/32/555937732.db2.gz RHUTZSUCJBFTCT-UHFFFAOYSA-N 0 0 463.657 5.711 40 0 JKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)COc1cccc(C)c1 ZINC000022572724 555937758 /nfs/dbraw/zinc/93/77/58/555937758.db2.gz YEQIQYNMQOATKN-UHFFFAOYSA-N 0 0 463.584 5.172 40 0 JKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000022571723 555937799 /nfs/dbraw/zinc/93/77/99/555937799.db2.gz OQTBGTLKSNHTAB-UHFFFAOYSA-N 0 0 463.006 5.561 40 0 JKABRN COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1Cl ZINC000022572848 555938130 /nfs/dbraw/zinc/93/81/30/555938130.db2.gz SVTZRBJFHNARCF-UHFFFAOYSA-N 0 0 463.773 7.184 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(C(F)(F)F)c3)o2)cc1Cl ZINC000022574598 555938385 /nfs/dbraw/zinc/93/83/85/555938385.db2.gz UEDKKRWLBAMWDD-CSKARUKUSA-N 0 0 464.896 6.454 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)cc1 ZINC000022574753 555938405 /nfs/dbraw/zinc/93/84/05/555938405.db2.gz ARHBGEZBAKEBHV-MRXNPFEDSA-N 0 0 464.953 5.614 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000022579980 555939724 /nfs/dbraw/zinc/93/97/24/555939724.db2.gz RWBXOFYLHSRFBM-UHFFFAOYSA-N 0 0 468.003 6.142 40 0 JKABRN Cc1nn2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)nc2c1-c1ccc(Cl)cc1 ZINC000022704898 555942817 /nfs/dbraw/zinc/94/28/17/555942817.db2.gz VPTCKUVTNNDIJH-UHFFFAOYSA-N 0 0 468.944 6.711 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000022705272 555942860 /nfs/dbraw/zinc/94/28/60/555942860.db2.gz OQCMEXFORWCZQD-HNNXBMFYSA-N 0 0 469.368 7.333 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)cc1 ZINC000022705331 555943191 /nfs/dbraw/zinc/94/31/91/555943191.db2.gz MJNZGWXPUXBPQN-HNNXBMFYSA-N 0 0 469.368 7.333 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)C(Cl)(Cl)Cl)cc1 ZINC000022705700 555943255 /nfs/dbraw/zinc/94/32/55/555943255.db2.gz NDMOODPWIBQFEI-UHFFFAOYSA-N 0 0 469.579 6.074 40 0 JKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([C@H](C)CC)cc4)cc3n2)cc1 ZINC000022706893 555943746 /nfs/dbraw/zinc/94/37/46/555943746.db2.gz JTJYWAKURZSQTI-HXUWFJFHSA-N 0 0 470.617 6.603 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc([C@@H](C)CC)cc4)c3)nc2c1 ZINC000022706849 555943773 /nfs/dbraw/zinc/94/37/73/555943773.db2.gz OCLWFEPABNTSCV-VQTJNVASSA-N 0 0 470.613 7.848 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nc4ccc(F)cc4s3)o2)cc1Cl ZINC000022707907 555944332 /nfs/dbraw/zinc/94/43/32/555944332.db2.gz SFBVWFRDXFSTFW-RMKNXTFCSA-N 0 0 471.966 6.184 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000022707786 555944335 /nfs/dbraw/zinc/94/43/35/555944335.db2.gz FRELMJYDMJCOFV-UHFFFAOYSA-N 0 0 471.605 5.716 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000022707768 555944341 /nfs/dbraw/zinc/94/43/41/555944341.db2.gz FVFDXNWOZYIFQK-JOCHJYFZSA-N 0 0 471.601 5.180 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(C)c2OC)cc1 ZINC000022708017 555944441 /nfs/dbraw/zinc/94/44/41/555944441.db2.gz HKRFHKRMWJJUFN-UHFFFAOYSA-N 0 0 472.368 6.334 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)cc(-c2nc3ccccc3o2)c1O ZINC000022708004 555944479 /nfs/dbraw/zinc/94/44/79/555944479.db2.gz TTZGFBYQXVVUFA-UHFFFAOYSA-N 0 0 472.353 5.942 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(OCC)cc2)cc1 ZINC000022708011 555944516 /nfs/dbraw/zinc/94/45/16/555944516.db2.gz WNVLSLYJRYYLDA-UHFFFAOYSA-N 0 0 472.368 6.416 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccccc2C)cc1 ZINC000022708043 555944559 /nfs/dbraw/zinc/94/45/59/555944559.db2.gz JXUXEPQBMPKKCT-UHFFFAOYSA-N 0 0 472.368 6.091 40 0 JKABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022708092 555944845 /nfs/dbraw/zinc/94/48/45/555944845.db2.gz KQCLQYWGFRJSQM-UHFFFAOYSA-N 0 0 472.422 6.326 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc4c5c(cccc53)CC4)o2)cc1Cl ZINC000022708899 555945099 /nfs/dbraw/zinc/94/50/99/555945099.db2.gz AVVPUOICITZFEJ-SDNWHVSQSA-N 0 0 472.997 6.687 40 0 JKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(I)c1 ZINC000022708963 555945162 /nfs/dbraw/zinc/94/51/62/555945162.db2.gz XEPSMEGUZFWIES-UHFFFAOYSA-N 0 0 473.093 6.215 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc(Br)ccc2Cl)cc1 ZINC000022709855 555945339 /nfs/dbraw/zinc/94/53/39/555945339.db2.gz WFCJPRBIRIJIBB-UHFFFAOYSA-N 0 0 473.754 5.521 40 0 JKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1Br ZINC000022709867 555945361 /nfs/dbraw/zinc/94/53/61/555945361.db2.gz TWQOANBFESQHTC-UHFFFAOYSA-N 0 0 473.779 6.640 40 0 JKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022709884 555945364 /nfs/dbraw/zinc/94/53/64/555945364.db2.gz ZRVWGYDGRUGQFD-UHFFFAOYSA-N 0 0 473.779 6.640 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3O)nc2c1 ZINC000022709650 555945394 /nfs/dbraw/zinc/94/53/94/555945394.db2.gz RMLLXTTWZBYZIU-KRWDZBQOSA-N 0 0 473.598 6.458 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3O)nc2c1 ZINC000022709636 555945411 /nfs/dbraw/zinc/94/54/11/555945411.db2.gz WPTIZYUTTWWAMY-QGZVFWFLSA-N 0 0 473.598 6.458 40 0 JKABRN COc1c(F)c(F)c(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(F)c1F ZINC000022710225 555945743 /nfs/dbraw/zinc/94/57/43/555945743.db2.gz OZOMNQFQPKRVFV-UHFFFAOYSA-N 0 0 474.454 6.054 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000022711941 555945950 /nfs/dbraw/zinc/94/59/50/555945950.db2.gz KGABXKOEZSZJPM-UHFFFAOYSA-N 0 0 475.614 5.277 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1cccc(C)c1OC ZINC000022711762 555945985 /nfs/dbraw/zinc/94/59/85/555945985.db2.gz FUDWDUPDUQFEMD-UHFFFAOYSA-N 0 0 475.570 5.564 40 0 JKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc2c(Br)cccc12 ZINC000022712190 555946355 /nfs/dbraw/zinc/94/63/55/555946355.db2.gz MOORMIITDPIPJB-UHFFFAOYSA-N 0 0 476.153 7.526 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 ZINC000022713297 555946588 /nfs/dbraw/zinc/94/65/88/555946588.db2.gz KTBQEPMKSVVXDU-GOSISDBHSA-N 0 0 477.004 7.803 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=S)NC(=O)c2ccco2)cc1 ZINC000022713471 555946877 /nfs/dbraw/zinc/94/68/77/555946877.db2.gz BEJHIXRRKPOKEW-UHFFFAOYSA-N 0 0 477.369 5.485 40 0 JKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cc(Br)ccc1Cl ZINC000022714216 555947104 /nfs/dbraw/zinc/94/71/04/555947104.db2.gz QWRMSIMOCGQBMA-UHFFFAOYSA-N 0 0 478.198 7.285 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4C)cc3n2)cc1 ZINC000022714170 555947109 /nfs/dbraw/zinc/94/71/09/555947109.db2.gz IUPOQNGKUXYFHG-UHFFFAOYSA-N 0 0 477.996 5.554 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc3ccccc3c2)cc1 ZINC000022714262 555947185 /nfs/dbraw/zinc/94/71/85/555947185.db2.gz QEPOSYIYNCDGEQ-UHFFFAOYSA-N 0 0 478.375 7.170 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000022715741 555947433 /nfs/dbraw/zinc/94/74/33/555947433.db2.gz BFPGNLXSXWXQEY-INIZCTEOSA-N 0 0 479.374 6.788 40 0 JKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 ZINC000022715764 555947477 /nfs/dbraw/zinc/94/74/77/555947477.db2.gz SXODBJPFROQHCE-INIZCTEOSA-N 0 0 479.374 6.788 40 0 JKABRN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C21N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000022716436 555947663 /nfs/dbraw/zinc/94/76/63/555947663.db2.gz KWYAUXZWZYGRAJ-QHCPKHFHSA-N 0 0 479.668 6.052 40 0 JKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000022716479 555947681 /nfs/dbraw/zinc/94/76/81/555947681.db2.gz HMDNYLAHEMEHRA-UHFFFAOYSA-N 0 0 479.749 5.138 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc5ccccc5c4)cc3n2)cc1 ZINC000022716327 555947742 /nfs/dbraw/zinc/94/77/42/555947742.db2.gz KTWFLSDFLXXGSB-UHFFFAOYSA-N 0 0 479.584 5.746 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(Cl)c1 ZINC000022716740 555947768 /nfs/dbraw/zinc/94/77/68/555947768.db2.gz MIUAUELPMGGVCE-UHFFFAOYSA-N 0 0 480.033 6.325 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 ZINC000022716843 555948048 /nfs/dbraw/zinc/94/80/48/555948048.db2.gz SBDGVEBXFQCAQO-UHFFFAOYSA-N 0 0 480.387 6.001 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000022739066 555948363 /nfs/dbraw/zinc/94/83/63/555948363.db2.gz GUMFKNWFZRCZPB-UHFFFAOYSA-N 0 0 482.030 6.532 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000022718623 555948396 /nfs/dbraw/zinc/94/83/96/555948396.db2.gz FQRYQMBEDIOEHR-UHFFFAOYSA-N 0 0 481.577 6.400 40 0 JKABRN Cc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000022740265 555949018 /nfs/dbraw/zinc/94/90/18/555949018.db2.gz NKXJHTBATRKXST-ACCUITESSA-N 0 0 482.971 6.911 40 0 JKABRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)Nc1cccc2c(O)cccc12 ZINC000022740544 555949022 /nfs/dbraw/zinc/94/90/22/555949022.db2.gz XBPJXIOCBHZWSQ-ACCUITESSA-N 0 0 483.376 6.639 40 0 JKABRN COc1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000022740855 555949275 /nfs/dbraw/zinc/94/92/75/555949275.db2.gz STFLQUSOVVPDQS-UHFFFAOYSA-N 0 0 483.584 5.086 40 0 JKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000022743311 555949854 /nfs/dbraw/zinc/94/98/54/555949854.db2.gz QFSRKFGBKNHPNP-UHFFFAOYSA-N 0 0 485.765 6.788 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccc(C)cc2C)cc1 ZINC000022743684 555950163 /nfs/dbraw/zinc/95/01/63/555950163.db2.gz JBAHDJPPMVSHHI-UHFFFAOYSA-N 0 0 486.395 6.399 40 0 JKABRN CCCOc1ccc(C(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(C(=O)OCC)cc2)cc1 ZINC000022743706 555950185 /nfs/dbraw/zinc/95/01/85/555950185.db2.gz CLDSDEUQRFWTOJ-UHFFFAOYSA-N 0 0 486.395 6.806 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 ZINC000022743501 555950191 /nfs/dbraw/zinc/95/01/91/555950191.db2.gz PAUGVSRDEYBUSU-UHFFFAOYSA-N 0 0 485.996 7.045 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc(C)c(C)c2)cc1 ZINC000022743665 555950204 /nfs/dbraw/zinc/95/02/04/555950204.db2.gz FYRDTDURWQKKFQ-UHFFFAOYSA-N 0 0 486.395 6.399 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc(C)cc2C)cc1 ZINC000022743649 555950235 /nfs/dbraw/zinc/95/02/35/555950235.db2.gz IVUOLRXCFRIQJF-UHFFFAOYSA-N 0 0 486.395 6.399 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc4c(c3)oc3ccccc34)o2)cc1Cl ZINC000022744827 555950399 /nfs/dbraw/zinc/95/03/99/555950399.db2.gz LZTVLIHAFGXLKA-JLHYYAGUSA-N 0 0 486.980 7.334 40 0 JKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 ZINC000022744686 555950478 /nfs/dbraw/zinc/95/04/78/555950478.db2.gz XWOGNPCJOLSBGF-UHFFFAOYSA-N 0 0 486.645 5.319 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccc(OC)cc2)cc1 ZINC000022746086 555950799 /nfs/dbraw/zinc/95/07/99/555950799.db2.gz TVURFSPSDUOKBS-UHFFFAOYSA-N 0 0 488.367 5.791 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4cc(C)cc(C)c4)cc3)nc2c1 ZINC000022745675 555950823 /nfs/dbraw/zinc/95/08/23/555950823.db2.gz AXWAJGUSWZCMHQ-LJQANCHMSA-N 0 0 487.625 6.517 40 0 JKABRN CCc1ccc(OCC(=O)NC(=S)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 ZINC000022745638 555950839 /nfs/dbraw/zinc/95/08/39/555950839.db2.gz AMWGPUXSEUWALD-SFHVURJKSA-N 0 0 487.625 6.463 40 0 JKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022746196 555951008 /nfs/dbraw/zinc/95/10/08/555951008.db2.gz CFZCXCJNBDMXMG-UHFFFAOYSA-N 0 0 488.421 6.406 40 0 JKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc(-c2nc3ccccc3s2)c1O ZINC000022746182 555951067 /nfs/dbraw/zinc/95/10/67/555951067.db2.gz PYMZTIPMSSSVLU-UHFFFAOYSA-N 0 0 488.421 6.411 40 0 JKABRN COc1cc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(Cl)cc3)n2C)cc(OC)c1OC 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FWVBBQRDCDFPRE-UHFFFAOYSA-N 0 0 490.753 6.474 40 0 JKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000022750098 555952318 /nfs/dbraw/zinc/95/23/18/555952318.db2.gz XGAXPSQSPMAABF-UHFFFAOYSA-N 0 0 491.842 5.170 40 0 JKABRN CCCCOc1ccc(C(=O)NC(=S)N(Cc2cccnc2)c2ccc(C(=O)OCC)cc2)cc1 ZINC000022749882 555952329 /nfs/dbraw/zinc/95/23/29/555952329.db2.gz NWPUXTZQRUXZOZ-UHFFFAOYSA-N 0 0 491.613 5.159 40 0 JKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022749935 555952349 /nfs/dbraw/zinc/95/23/49/555952349.db2.gz JCXOYPQHQXHBHA-UHFFFAOYSA-N 0 0 491.613 5.380 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000022751134 555952362 /nfs/dbraw/zinc/95/23/62/555952362.db2.gz PKEVOXXDHRTHOB-UHFFFAOYSA-N 0 0 492.786 6.679 40 0 JKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000022750220 555952366 /nfs/dbraw/zinc/95/23/66/555952366.db2.gz RAMQPCSBCZFYRU-JOCHJYFZSA-N 0 0 492.063 6.193 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc(Cl)cc2)cc1 ZINC000022751146 555952424 /nfs/dbraw/zinc/95/24/24/555952424.db2.gz PETBAATYLJJJJR-UHFFFAOYSA-N 0 0 492.786 6.436 40 0 JKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c1 ZINC000022751464 555952645 /nfs/dbraw/zinc/95/26/45/555952645.db2.gz OAWUWAAXYNKHEK-UHFFFAOYSA-N 0 0 493.076 5.406 40 0 JKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)cc1Cl ZINC000022751179 555952659 /nfs/dbraw/zinc/95/26/59/555952659.db2.gz GBJZBAGZOKRVFL-UHFFFAOYSA-N 0 0 492.840 7.050 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cc(Cl)ccc2OC)cc1 ZINC000022751155 555952670 /nfs/dbraw/zinc/95/26/70/555952670.db2.gz AYZQDBNEIPJWKB-UHFFFAOYSA-N 0 0 492.786 6.679 40 0 JKABRN CCCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000022755304 555953697 /nfs/dbraw/zinc/95/36/97/555953697.db2.gz CEWFUWPJAHOWHK-UHFFFAOYSA-N 0 0 495.608 5.798 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(Br)o2)cc1 ZINC000022757557 555954390 /nfs/dbraw/zinc/95/43/90/555954390.db2.gz KKDWTBISFLZUOE-UHFFFAOYSA-N 0 0 497.172 6.373 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2s1 ZINC000022757778 555954728 /nfs/dbraw/zinc/95/47/28/555954728.db2.gz QQMVMKISSJUMPL-UHFFFAOYSA-N 0 0 497.429 5.477 40 0 JKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc4ccccc4c(Br)c3OC)cc2s1 ZINC000022818605 555954992 /nfs/dbraw/zinc/95/49/92/555954992.db2.gz LYBKOZNYTFFLJB-UHFFFAOYSA-N 0 0 498.402 6.212 40 0 JKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000022821219 555955407 /nfs/dbraw/zinc/95/54/07/555955407.db2.gz GAUFGULZANCOQX-UHFFFAOYSA-N 0 0 499.806 8.436 40 0 JKABRN Oc1cc2c(cc1Cl)[C@H](c1ccccc1)[C@H]1CCC[C@@H]3[C@H](c4ccccc4)NC(=S)N[C@@]31O2 ZINC000012376197 555963448 /nfs/dbraw/zinc/96/34/48/555963448.db2.gz OJVFCCKMQFSLLN-KINPKARHSA-N 0 0 477.029 5.902 40 0 JKABRN Oc1cc2c(cc1Cl)[C@@H](c1ccccc1)[C@H]1CCC[C@@H]3[C@H](c4ccccc4)NC(=S)N[C@]31O2 ZINC000012376198 555963500 /nfs/dbraw/zinc/96/35/00/555963500.db2.gz 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477.645 7.149 40 0 JKABRN Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccc(Br)cc3)n2)cc1 ZINC000012469033 555981953 /nfs/dbraw/zinc/98/19/53/555981953.db2.gz HNCRGSSSKPPJNB-UHFFFAOYSA-N 0 0 477.427 6.771 40 0 JKABRN O=C(COc1ccc(Cl)cc1)N(CCc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000012469290 555981996 /nfs/dbraw/zinc/98/19/96/555981996.db2.gz FZHRJBVPGQFWIJ-UHFFFAOYSA-N 0 0 466.965 6.257 40 0 JKABRN CCc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2OC)cc1 ZINC000012473890 555982196 /nfs/dbraw/zinc/98/21/96/555982196.db2.gz OACFEFAKLAAZAE-UHFFFAOYSA-N 0 0 479.005 5.890 40 0 JKABRN Cc1cccc(C2=NCC(=O)N(CC(=O)c3cccc(Cl)c3)c3sc4c(c32)CCCC4)c1 ZINC000012474533 555982214 /nfs/dbraw/zinc/98/22/14/555982214.db2.gz YATNLIGRYHZTRS-UHFFFAOYSA-N 0 0 463.002 5.656 40 0 JKABRN COc1ccc(C(=O)N(c2ccccc2)[C@H](C(=O)NC(C)(C)C)c2c[nH]c3ccccc32)cc1OC ZINC000012471580 555982244 /nfs/dbraw/zinc/98/22/44/555982244.db2.gz IXPWMHCIHCYDLW-SANMLTNESA-N 0 0 485.584 5.488 40 0 JKABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2c1 ZINC000012470593 555982317 /nfs/dbraw/zinc/98/23/17/555982317.db2.gz SIYPEUUINDWSSW-BCHFMIIMSA-N 0 0 468.605 5.177 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CCCC2)c1 ZINC000012475173 555982655 /nfs/dbraw/zinc/98/26/55/555982655.db2.gz QSMQYJYUGSSXNL-LJAQVGFWSA-N 0 0 487.644 5.680 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012474929 555982704 /nfs/dbraw/zinc/98/27/04/555982704.db2.gz DSZWFQQZKMXJGR-GDLZYMKVSA-N 0 0 499.611 5.531 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012474834 555982711 /nfs/dbraw/zinc/98/27/11/555982711.db2.gz QJIFVDXIQKXSIP-MUUNZHRXSA-N 0 0 485.653 5.991 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N(Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012474839 555982714 /nfs/dbraw/zinc/98/27/14/555982714.db2.gz QJIFVDXIQKXSIP-NDEPHWFRSA-N 0 0 485.653 5.991 40 0 JKABRN CCOc1cccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2ccco2)c1 ZINC000012475810 555982976 /nfs/dbraw/zinc/98/29/76/555982976.db2.gz MSGSLZRTLNTIJO-GDLZYMKVSA-N 0 0 499.611 5.926 40 0 JKABRN Cc1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012475802 555982987 /nfs/dbraw/zinc/98/29/87/555982987.db2.gz AEHUUQWOZHCKQZ-MUUNZHRXSA-N 0 0 469.585 5.835 40 0 aggregator JKABRN CCOc1cccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2ccco2)c1 ZINC000012475815 555983005 /nfs/dbraw/zinc/98/30/05/555983005.db2.gz MSGSLZRTLNTIJO-LJAQVGFWSA-N 0 0 499.611 5.926 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N([C@H](C(=O)NC1CCCCC1)c1cccs1)C1CCCCC1 ZINC000012475785 555983038 /nfs/dbraw/zinc/98/30/38/555983038.db2.gz BMSCOEBKRRJHLG-MHZLTWQESA-N 0 0 477.674 6.123 40 0 JKABRN O=C(Cc1c[nH]c2ccccc12)N([C@@H](C(=O)NC1CCCCC1)c1cccs1)C1CCCCC1 ZINC000012475780 555983068 /nfs/dbraw/zinc/98/30/68/555983068.db2.gz BMSCOEBKRRJHLG-HHHXNRCGSA-N 0 0 477.674 6.123 40 0 JKABRN 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COc1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)o1 ZINC000012475892 555983389 /nfs/dbraw/zinc/98/33/89/555983389.db2.gz ZRJBVJRRMLQQEI-GDLZYMKVSA-N 0 0 499.611 5.844 40 0 JKABRN Cc1ccccc1CCN(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012475860 555983391 /nfs/dbraw/zinc/98/33/91/555983391.db2.gz UUQPWKIEJTUUTL-PMERELPUSA-N 0 0 497.639 5.873 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000012476042 555983408 /nfs/dbraw/zinc/98/34/08/555983408.db2.gz ONCXNEDIVXPRJQ-HHHXNRCGSA-N 0 0 494.632 5.657 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)c1 ZINC000012476282 555983643 /nfs/dbraw/zinc/98/36/43/555983643.db2.gz GRBSOFUIXTVHHQ-AREMUKBSSA-N 0 0 480.605 5.662 40 0 JKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)cc1 ZINC000012476259 555983649 /nfs/dbraw/zinc/98/36/49/555983649.db2.gz FCDYJIAHRCTTSX-HHHXNRCGSA-N 0 0 492.641 5.531 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)Cc2cccs2)c1 ZINC000012476419 555983665 /nfs/dbraw/zinc/98/36/65/555983665.db2.gz ZMFRMKWROKFJKL-MUUNZHRXSA-N 0 0 490.669 5.561 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)c1 ZINC000012476332 555983670 /nfs/dbraw/zinc/98/36/70/555983670.db2.gz LSRIWLTYFJOTHI-MHZLTWQESA-N 0 0 476.642 5.518 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c1 ZINC000012476403 555983673 /nfs/dbraw/zinc/98/36/73/555983673.db2.gz CYLIPJGPXOGZNZ-VWLOTQADSA-N 0 0 466.603 5.111 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)Cc2cccs2)c1 ZINC000012476425 555983707 /nfs/dbraw/zinc/98/37/07/555983707.db2.gz ZMFRMKWROKFJKL-NDEPHWFRSA-N 0 0 490.669 5.561 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)c1 ZINC000012476356 555983711 /nfs/dbraw/zinc/98/37/11/555983711.db2.gz RJWWKBDZMNWTNX-HHHXNRCGSA-N 0 0 494.632 5.657 40 0 JKABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000012476586 555983724 /nfs/dbraw/zinc/98/37/24/555983724.db2.gz IKUITQJLJMBYTJ-AREMUKBSSA-N 0 0 496.698 5.970 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1 ZINC000012476206 555983733 /nfs/dbraw/zinc/98/37/33/555983733.db2.gz RCAPMDAGRGWKSH-SANMLTNESA-N 0 0 496.698 5.970 40 0 JKABRN Cc1ccccc1CCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000012477085 555983947 /nfs/dbraw/zinc/98/39/47/555983947.db2.gz VVVSCCCZLVLITN-HHHXNRCGSA-N 0 0 475.658 5.256 40 0 JKABRN CC[C@@H](C)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 ZINC000012476934 555983994 /nfs/dbraw/zinc/98/39/94/555983994.db2.gz ACWPYFHVBQWNIU-PIKZIKFNSA-N 0 0 489.685 6.423 40 0 JKABRN O=C(Cc1cccs1)N(CCC1=CCCCC1)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012476898 555984007 /nfs/dbraw/zinc/98/40/07/555984007.db2.gz CHJNVRROWKUVBD-VWLOTQADSA-N 0 0 454.636 5.793 40 0 JKABRN CC[C@H](C)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000012477153 555984287 /nfs/dbraw/zinc/98/42/87/555984287.db2.gz CTXKGIAQTJJZLE-KMRXNPHXSA-N 0 0 489.685 6.423 40 0 JKABRN O=C(Cc1cccs1)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCCC1)c1cccnc1 ZINC000012477222 555984301 /nfs/dbraw/zinc/98/43/01/555984301.db2.gz SXHZUXZBAPWSOT-DEOSSOPVSA-N 0 0 451.567 5.048 40 0 JKABRN Cc1ccccc1CCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 ZINC000012477262 555984306 /nfs/dbraw/zinc/98/43/06/555984306.db2.gz XHLRIWWNSPCEMU-HHHXNRCGSA-N 0 0 475.658 5.256 40 0 JKABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1sccc1C ZINC000012478099 555984610 /nfs/dbraw/zinc/98/46/10/555984610.db2.gz BXQFXPXJUKXPQJ-RUZDIDTESA-N 0 0 496.698 5.888 40 0 JKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1sccc1C ZINC000012477985 555984616 /nfs/dbraw/zinc/98/46/16/555984616.db2.gz YZAAWUYAFHCDGJ-XMMPIXPASA-N 0 0 482.671 5.893 40 0 JKABRN COc1ccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1OC ZINC000012478296 555984619 /nfs/dbraw/zinc/98/46/19/555984619.db2.gz DVJZNTMRSPYLMJ-MHZLTWQESA-N 0 0 490.600 5.172 40 0 JKABRN Cc1ccccc1CCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1cccn1C ZINC000012477918 555984623 /nfs/dbraw/zinc/98/46/23/555984623.db2.gz BRCDMGWQDZTWRM-MHZLTWQESA-N 0 0 477.674 5.199 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(NC(C)=O)cc2)cc1 ZINC000012478561 555984870 /nfs/dbraw/zinc/98/48/70/555984870.db2.gz XMOHDUWQUGRHEN-SANMLTNESA-N 0 0 489.572 5.084 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)cc1 ZINC000012478611 555984887 /nfs/dbraw/zinc/98/48/87/555984887.db2.gz FCUZGXPMMDSHOI-AREMUKBSSA-N 0 0 476.573 5.129 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 ZINC000012478550 555984893 /nfs/dbraw/zinc/98/48/93/555984893.db2.gz YAKCVZGWHQOROW-DEOSSOPVSA-N 0 0 450.510 5.264 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 ZINC000012478538 555984906 /nfs/dbraw/zinc/98/49/06/555984906.db2.gz QLZDQFVWQFZUEC-DEOSSOPVSA-N 0 0 450.510 5.264 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1 ZINC000012478492 555984940 /nfs/dbraw/zinc/98/49/40/555984940.db2.gz KAMLHHXNZVVRPB-AREMUKBSSA-N 0 0 492.572 5.142 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1OC ZINC000012478839 555985147 /nfs/dbraw/zinc/98/51/47/555985147.db2.gz NMEMNGQHXADEGS-AREMUKBSSA-N 0 0 476.573 5.129 40 0 JKABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1OC ZINC000012478831 555985160 /nfs/dbraw/zinc/98/51/60/555985160.db2.gz SRBMPYATNPTSOE-VWLOTQADSA-N 0 0 480.536 5.273 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)c1 ZINC000012479139 555985176 /nfs/dbraw/zinc/98/51/76/555985176.db2.gz XYKDCCRVYHGAJD-RUZDIDTESA-N 0 0 464.537 5.260 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)c1 ZINC000012479082 555985186 /nfs/dbraw/zinc/98/51/86/555985186.db2.gz DBQZAZGQBDQKIE-DEOSSOPVSA-N 0 0 450.510 5.264 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)c1 ZINC000012479167 555985455 /nfs/dbraw/zinc/98/54/55/555985455.db2.gz VWRVFQCRWNBKMG-MHZLTWQESA-N 0 0 474.601 5.472 40 0 JKABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000012479612 555985470 /nfs/dbraw/zinc/98/54/70/555985470.db2.gz DIXHKCWKYAMLOX-QHCPKHFHSA-N 0 0 480.586 5.355 40 0 JKABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000012479609 555985477 /nfs/dbraw/zinc/98/54/77/555985477.db2.gz DIXHKCWKYAMLOX-HSZRJFAPSA-N 0 0 480.586 5.355 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCO3)cc1 ZINC000012479477 555985480 /nfs/dbraw/zinc/98/54/80/555985480.db2.gz WTXCUKSHVKSUBK-AREMUKBSSA-N 0 0 490.556 5.244 40 0 JKABRN COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000012479276 555985501 /nfs/dbraw/zinc/98/55/01/555985501.db2.gz YCJGVSVEPHUWND-RUZDIDTESA-N 0 0 464.537 5.260 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccco2)c1 ZINC000012479157 555985512 /nfs/dbraw/zinc/98/55/12/555985512.db2.gz ISGOCKSTTOERAM-SANMLTNESA-N 0 0 460.574 5.163 40 0 JKABRN O=C(Cc1ccsc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012482708 555986059 /nfs/dbraw/zinc/98/60/59/555986059.db2.gz WXWMALBGGCNNAR-SANMLTNESA-N 0 0 499.051 6.302 40 0 JKABRN Cc1cc(C)cc(N(C(=O)Cc2ccsc2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000012482793 555986115 /nfs/dbraw/zinc/98/61/15/555986115.db2.gz VXKQFIFQCLAEJX-HHHXNRCGSA-N 0 0 478.633 6.270 40 0 JKABRN O=C(Cc1ccsc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012483262 555986376 /nfs/dbraw/zinc/98/63/76/555986376.db2.gz OTNMKIVKCUZJAY-SANMLTNESA-N 0 0 481.061 6.163 40 0 JKABRN O=C(Cc1ccsc1)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012483159 555986380 /nfs/dbraw/zinc/98/63/80/555986380.db2.gz RKGRVSVPDGAAIH-HHHXNRCGSA-N 0 0 490.625 5.238 40 0 JKABRN O=C(Cc1ccsc1)N(c1ccc2c(c1)OCCO2)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012483587 555986710 /nfs/dbraw/zinc/98/67/10/555986710.db2.gz HKGFQHXUZGFQFL-MHZLTWQESA-N 0 0 490.625 5.285 40 0 JKABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1ccc(C(C)C)cc1 ZINC000012484219 555986750 /nfs/dbraw/zinc/98/67/50/555986750.db2.gz MRAOJUBKKMWSLH-XMMPIXPASA-N 0 0 495.645 5.274 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1ccc(Cl)cc1 ZINC000012484829 555986897 /nfs/dbraw/zinc/98/68/97/555986897.db2.gz NQANUEVFXHXJJW-UHFFFAOYSA-N 0 0 467.400 6.690 40 0 JKABRN CCOc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(F)cc32)cc1OCC ZINC000012484946 555986903 /nfs/dbraw/zinc/98/69/03/555986903.db2.gz ZEEOBUZHLDQDKL-UHFFFAOYSA-N 0 0 482.353 5.820 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1cccc(OC)c1 ZINC000012484908 555986907 /nfs/dbraw/zinc/98/69/07/555986907.db2.gz IEDUFYZXVCLNOY-UHFFFAOYSA-N 0 0 462.981 6.045 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2ccc(C(C)C)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)s1 ZINC000012484670 555986927 /nfs/dbraw/zinc/98/69/27/555986927.db2.gz JHJSCMNXSAHMKE-JWQCQUIFSA-N 0 0 491.657 5.567 40 0 JKABRN Cc1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)c2ccc(Br)cc2)c1C ZINC000012484675 555986931 /nfs/dbraw/zinc/98/69/31/555986931.db2.gz NNEZNRPRETXWNT-UHFFFAOYSA-N 0 0 493.220 6.373 40 0 JKABRN CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1cccc(OC)c1 ZINC000012484918 555986944 /nfs/dbraw/zinc/98/69/44/555986944.db2.gz DWMUHFTWNBDSQY-UHFFFAOYSA-N 0 0 462.981 6.045 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2cc(C)cc(C)c2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)s1 ZINC000012485117 555987286 /nfs/dbraw/zinc/98/72/86/555987286.db2.gz ZFKCVWOFZLOJTC-RUZDIDTESA-N 0 0 475.658 6.214 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2ccc(C)c(C)c2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)s1 ZINC000012485209 555987299 /nfs/dbraw/zinc/98/72/99/555987299.db2.gz ZRBGEWRXZXNYRA-VWLOTQADSA-N 0 0 475.658 6.214 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2ccc(C)c(C)c2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)s1 ZINC000012485199 555987309 /nfs/dbraw/zinc/98/73/09/555987309.db2.gz ZRBGEWRXZXNYRA-RUZDIDTESA-N 0 0 475.658 6.214 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2ccc(C)cc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)s1 ZINC000012485146 555987315 /nfs/dbraw/zinc/98/73/15/555987315.db2.gz WDXSQIBAHRLDEA-RUZDIDTESA-N 0 0 475.658 6.214 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2ccc(C)cc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2)s1 ZINC000012485155 555987320 /nfs/dbraw/zinc/98/73/20/555987320.db2.gz WDXSQIBAHRLDEA-VWLOTQADSA-N 0 0 475.658 6.214 40 0 JKABRN CCOc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(C)cc32)cc1OCC ZINC000012485845 555987547 /nfs/dbraw/zinc/98/75/47/555987547.db2.gz IGYCURNQNXMAHG-UHFFFAOYSA-N 0 0 478.390 5.989 40 0 JKABRN CCOc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1OCC ZINC000012485947 555987587 /nfs/dbraw/zinc/98/75/87/555987587.db2.gz PQMHQGPECKBNMQ-UHFFFAOYSA-N 0 0 498.808 6.334 40 0 JKABRN CCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3c4ccccc4ccc32)cc1OCC ZINC000012486011 555987635 /nfs/dbraw/zinc/98/76/35/555987635.db2.gz LKFDVLZMKYGYBP-UHFFFAOYSA-N 0 0 469.972 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ZINC000012488188 555988232 /nfs/dbraw/zinc/98/82/32/555988232.db2.gz WRPLSTTZBIWLMY-AREMUKBSSA-N 0 0 489.616 5.130 40 0 JKABRN COc1ccc(-c2nc3sc4c(c3c(SCC(=O)Nc3cc(C)ccc3C)n2)CCCC4)cc1 ZINC000012487410 555988265 /nfs/dbraw/zinc/98/82/65/555988265.db2.gz HFARYSCBVBPFSG-UHFFFAOYSA-N 0 0 489.666 6.593 40 0 JKABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccc(C(C)C)cc2)cc1 ZINC000012488292 555988336 /nfs/dbraw/zinc/98/83/36/555988336.db2.gz ZTDRVHLDAHZGSG-SANMLTNESA-N 0 0 489.616 5.130 40 0 JKABRN C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc21 ZINC000012489358 555988551 /nfs/dbraw/zinc/98/85/51/555988551.db2.gz XSESJXKQEJCKTI-LJQANCHMSA-N 0 0 462.578 6.478 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1Cl)N(C(=O)CCC(=O)Nc1cc(C)on1)C(C)(C)C ZINC000012491589 555988673 /nfs/dbraw/zinc/98/86/73/555988673.db2.gz VMVYKKGPLUNPQA-QFIPXVFZSA-N 0 0 491.032 5.028 40 0 JKABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)CNC(=O)c1cccs1)c1cccc2ccccc21 ZINC000012490488 555988699 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ZINC000012645195 556097440 /nfs/dbraw/zinc/09/74/40/556097440.db2.gz ILWDAESRSQGVDA-UHFFFAOYSA-N 0 0 498.623 6.076 40 0 JKABRN O=C(c1cccc(Cl)c1)N(Cc1ccccc1Cl)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012645550 556097777 /nfs/dbraw/zinc/09/77/77/556097777.db2.gz QCTWPLTXBFRNRB-UHFFFAOYSA-N 0 0 481.335 5.406 40 0 JKABRN Cc1nc(C)c(C(=O)N(c2cc(C)cc(C)c2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)s1 ZINC000012645559 556097788 /nfs/dbraw/zinc/09/77/88/556097788.db2.gz QCKFFQNCAGLXRU-NRFANRHFSA-N 0 0 450.608 5.075 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)nnc2-c2ccccc2Cl)cc1 ZINC000012651714 556098367 /nfs/dbraw/zinc/09/83/67/556098367.db2.gz QFADGKLLKILVID-BSRJHKFKSA-N 0 0 499.080 6.019 40 0 JKABRN CCOc1ccc(-c2nc(NC(=O)CC34C[C@H]5C[C@H](CC(Br)(C5)C3)C4)sc2C)cc1 ZINC000012652362 556098424 /nfs/dbraw/zinc/09/84/24/556098424.db2.gz SNBGEPBQHMGPGW-UPFYTXMWSA-N 0 0 489.479 6.580 40 0 JKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](c5ccccc5)[C@H](C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000012655996 556099181 /nfs/dbraw/zinc/09/91/81/556099181.db2.gz JWFNKWCLKCAFGV-HAILTMFQSA-N 0 0 496.691 7.774 40 0 JKABRN COc1ccc(-c2cc(C(=O)OCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)cc1OC ZINC000012657512 556099348 /nfs/dbraw/zinc/09/93/48/556099348.db2.gz BRMXLFJDQCEFHB-FGSXEWAUSA-N 0 0 476.573 5.017 40 0 JKABRN COc1ccc(-c2cc(C(=O)OCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1OC ZINC000012657520 556099399 /nfs/dbraw/zinc/09/93/99/556099399.db2.gz BRMXLFJDQCEFHB-SPEDKVCISA-N 0 0 476.573 5.017 40 0 JKABRN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000012659146 556100021 /nfs/dbraw/zinc/10/00/21/556100021.db2.gz AKGZGYCPEILHJF-GBSIUYNASA-N 0 0 473.742 6.847 40 0 JKABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000015982376 556100688 /nfs/dbraw/zinc/10/06/88/556100688.db2.gz GVWKVYILUMYCMG-XJABCFGWSA-N 0 0 491.600 6.636 40 0 JKABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)c1 ZINC000023913090 556101103 /nfs/dbraw/zinc/10/11/03/556101103.db2.gz DUMILEJTTLNHOC-UHFFFAOYSA-N 0 0 479.389 5.179 40 0 JKABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)c1 ZINC000012674519 556101632 /nfs/dbraw/zinc/10/16/32/556101632.db2.gz OBPLTMKKHBDOJH-UHFFFAOYSA-N 0 0 457.861 5.360 40 0 JKABRN Cc1ccc2cc(CN(CCc3ccccc3C)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C ZINC000012704182 556103159 /nfs/dbraw/zinc/10/31/59/556103159.db2.gz COSJLTKELVQETN-UHFFFAOYSA-N 0 0 474.004 6.384 40 0 JKABRN COc1ccc(C(=O)N(Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000012704309 556103259 /nfs/dbraw/zinc/10/32/59/556103259.db2.gz OVZWYRCWRQUCDH-QHCPKHFHSA-N 0 0 484.643 5.269 40 0 JKABRN COc1ccc(C(=O)N([C@@H](C(=O)NCc2ccccc2)c2cccs2)C2CCCC2)cc1OC ZINC000012705847 556103579 /nfs/dbraw/zinc/10/35/79/556103579.db2.gz IFYKGJTWGPCHDR-RUZDIDTESA-N 0 0 478.614 5.208 40 0 JKABRN Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012705773 556103596 /nfs/dbraw/zinc/10/35/96/556103596.db2.gz WKHLEJHYBUECGJ-UHFFFAOYSA-N 0 0 459.977 6.341 40 0 JKABRN Cc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000012705215 556103628 /nfs/dbraw/zinc/10/36/28/556103628.db2.gz WEQRYNJEIKYTQJ-UHFFFAOYSA-N 0 0 459.977 6.341 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000012706969 556103729 /nfs/dbraw/zinc/10/37/29/556103729.db2.gz RTRWBBXJSOJABE-UHFFFAOYSA-N 0 0 463.940 6.117 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)Nc3ccccc3F)cc2c1 ZINC000012707174 556103763 /nfs/dbraw/zinc/10/37/63/556103763.db2.gz ZKFPBFQMJLRTSE-UHFFFAOYSA-N 0 0 463.940 6.117 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000012706964 556103794 /nfs/dbraw/zinc/10/37/94/556103794.db2.gz RIRHCPBNMHCTNQ-UHFFFAOYSA-N 0 0 463.940 6.117 40 0 JKABRN COc1cc(C2=NNC(c3cccnc3)=Nc3ccc(Cl)cc32)ccc1OCc1ccccc1 ZINC000012707561 556104152 /nfs/dbraw/zinc/10/41/52/556104152.db2.gz UCVLCGQLHHHAPO-UHFFFAOYSA-N 0 0 468.944 5.757 40 0 JKABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000012708880 556104176 /nfs/dbraw/zinc/10/41/76/556104176.db2.gz SEPFLACEDZNXDQ-UHFFFAOYSA-N 0 0 496.394 6.468 40 0 JKABRN COc1ccc2nc(NC(=O)CSc3ncnc4scc(-c5ccc(F)cc5)c43)sc2c1 ZINC000012711829 556104512 /nfs/dbraw/zinc/10/45/12/556104512.db2.gz HTYGLTZMNOTHTB-UHFFFAOYSA-N 0 0 482.587 5.847 40 0 JKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1Cl ZINC000012714304 556104707 /nfs/dbraw/zinc/10/47/07/556104707.db2.gz DGNNVRTYSOGXBQ-UHFFFAOYSA-N 0 0 499.007 5.637 40 0 JKABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)cc1 ZINC000012712721 556104715 /nfs/dbraw/zinc/10/47/15/556104715.db2.gz RAKXLLCTYXKFKX-LJAQVGFWSA-N 0 0 497.643 5.293 40 0 JKABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2C)cc1 ZINC000012712735 556104742 /nfs/dbraw/zinc/10/47/42/556104742.db2.gz MBEVUNOXWJBVGN-GDLZYMKVSA-N 0 0 497.643 5.293 40 0 JKABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)cc1 ZINC000012712714 556104754 /nfs/dbraw/zinc/10/47/54/556104754.db2.gz WDONRJYSNPAGTE-GDLZYMKVSA-N 0 0 497.643 5.293 40 0 JKABRN CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCCO2 ZINC000012714834 556105192 /nfs/dbraw/zinc/10/51/92/556105192.db2.gz RKORJUFWLABHMB-RUZDIDTESA-N 0 0 494.538 5.034 40 0 JKABRN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N1CCCCCC1 ZINC000016021421 556114042 /nfs/dbraw/zinc/11/40/42/556114042.db2.gz CRDYWJODJRKUCH-UHFFFAOYSA-N 0 0 490.931 5.184 40 0 JKABRN Cc1sc2c(c1C)C(c1ccccc1Cl)=NCC(=O)N2CC(=O)Nc1c(C)cccc1C ZINC000012833949 556116192 /nfs/dbraw/zinc/11/61/92/556116192.db2.gz AOINYEHFDYPKGW-UHFFFAOYSA-N 0 0 466.006 5.458 40 0 JKABRN Cc1nc2ccc(NC(=O)c3ccccc3F)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000012834126 556116436 /nfs/dbraw/zinc/11/64/36/556116436.db2.gz XIJQEXSFRMCAMC-UHFFFAOYSA-N 0 0 463.512 5.812 40 0 JKABRN Cc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000012834100 556116438 /nfs/dbraw/zinc/11/64/38/556116438.db2.gz KGJLXVVLYFHNRX-UHFFFAOYSA-N 0 0 479.967 6.326 40 0 JKABRN Cc1nc2ccc(NC(=O)Nc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1 ZINC000012834121 556116442 /nfs/dbraw/zinc/11/64/42/556116442.db2.gz RJVGYTVIABRHQF-UHFFFAOYSA-N 0 0 494.982 6.718 40 0 JKABRN Cc1nc2ccc(NC(=O)Nc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000012834109 556116443 /nfs/dbraw/zinc/11/64/43/556116443.db2.gz ZPVFFYMVLNOLDZ-UHFFFAOYSA-N 0 0 494.982 6.718 40 0 JKABRN O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N12)c1ccc(Cl)cc1 ZINC000016038731 556120882 /nfs/dbraw/zinc/12/08/82/556120882.db2.gz PAYZITFDTRNZCS-KIHHCIJBSA-N 0 0 489.358 5.266 40 0 JKABRN O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc2ccccc21 ZINC000012870648 556120957 /nfs/dbraw/zinc/12/09/57/556120957.db2.gz AWICXKIONMGJBP-DEOSSOPVSA-N 0 0 456.571 5.138 40 0 JKABRN O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000012878423 556122468 /nfs/dbraw/zinc/12/24/68/556122468.db2.gz AUGLEEVLMBGGEN-UHFFFAOYSA-N 0 0 470.019 5.128 40 0 JKABRN O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)N1CCC(Cc2ccccc2)CC1 ZINC000012878854 556122530 /nfs/dbraw/zinc/12/25/30/556122530.db2.gz UYPNXDFZWBYHEI-UHFFFAOYSA-N 0 0 483.062 5.685 40 0 JKABRN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000012878708 556122536 /nfs/dbraw/zinc/12/25/36/556122536.db2.gz MHCQNUXTXLBFPU-UHFFFAOYSA-N 0 0 457.043 5.264 40 0 JKABRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000012878432 556122584 /nfs/dbraw/zinc/12/25/84/556122584.db2.gz UDFNGCKAZOALIW-UHFFFAOYSA-N 0 0 498.439 5.573 40 0 JKABRN CC(C)Cc1cc(C(=O)O[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c2ccccc2n1 ZINC000012880594 556123382 /nfs/dbraw/zinc/12/33/82/556123382.db2.gz IJYLQPIPTFDVHK-SANMLTNESA-N 0 0 462.565 5.919 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nnc2-c2ccncc2)cc1C ZINC000024196090 556126630 /nfs/dbraw/zinc/12/66/30/556126630.db2.gz NPJNRRQHPOCOKW-UHFFFAOYSA-N 0 0 463.994 5.639 40 0 JKABRN CCc1cc(I)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016161267 556127246 /nfs/dbraw/zinc/12/72/46/556127246.db2.gz MLHOWYLVSYTZMF-UHFFFAOYSA-N 0 0 451.691 6.019 40 0 JKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1 ZINC000016161950 556127405 /nfs/dbraw/zinc/12/74/05/556127405.db2.gz GCAXAOKVTQVTJZ-IMEWXKHHSA-N 0 0 455.377 5.871 40 0 JKABRN CCOc1c(Br)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000016161834 556127498 /nfs/dbraw/zinc/12/74/98/556127498.db2.gz MMKHHNDOACVCDJ-SARUNTBLSA-N 0 0 463.397 5.018 40 0 JKABRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)c(C)c1 ZINC000024226921 556127646 /nfs/dbraw/zinc/12/76/46/556127646.db2.gz KGQDZRMEAVGRNQ-UHFFFAOYSA-N 0 0 457.603 5.602 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccccc3)ccc21 ZINC000016162902 556127991 /nfs/dbraw/zinc/12/79/91/556127991.db2.gz QBRRIUSVLJKNIP-UHFFFAOYSA-N 0 0 489.641 5.777 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)ccc21 ZINC000016162928 556128106 /nfs/dbraw/zinc/12/81/06/556128106.db2.gz DHJJHOFKYMQTPT-UHFFFAOYSA-N 0 0 497.620 5.644 40 0 JKABRN CN(CC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016188452 556128305 /nfs/dbraw/zinc/12/83/05/556128305.db2.gz IWOHHWVKIVRCMO-UHFFFAOYSA-N 0 0 465.358 5.045 40 0 JKABRN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016188044 556128321 /nfs/dbraw/zinc/12/83/21/556128321.db2.gz FVBXBQXKLWGKIP-UHFFFAOYSA-N 0 0 476.596 5.213 40 0 JKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000016194526 556128598 /nfs/dbraw/zinc/12/85/98/556128598.db2.gz VNFVTGGQKIIFFV-VQHVLOKHSA-N 0 0 472.759 6.851 40 0 JKABRN COc1ccc(Cl)c(NC(=O)c2sc3nc(-c4ccccc4)c4c(c3c2N)CCCC4)c1 ZINC000016215348 556129480 /nfs/dbraw/zinc/12/94/80/556129480.db2.gz PYDMYBJXWAQTCG-UHFFFAOYSA-N 0 0 463.990 6.339 40 0 JKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000016215158 556129557 /nfs/dbraw/zinc/12/95/57/556129557.db2.gz RLSPRGBTYOYISQ-UHFFFAOYSA-N 0 0 452.539 5.519 40 0 JKABRN COc1ccc(C(=O)Nc2ccccc2C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000016216361 556129842 /nfs/dbraw/zinc/12/98/42/556129842.db2.gz XLLFAGWYEQEMEW-HHHXNRCGSA-N 0 0 499.950 6.382 40 0 JKABRN COc1ccc(C(=O)NCCCCCCCCCCCCNC(=O)c2ccc(OC)cc2)cc1 ZINC000016216332 556129882 /nfs/dbraw/zinc/12/98/82/556129882.db2.gz YZZWPUZVYFEULT-UHFFFAOYSA-N 0 0 468.638 5.765 40 0 JKABRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000016227314 556130124 /nfs/dbraw/zinc/13/01/24/556130124.db2.gz SMNWTYVPJVJFCM-QFIPXVFZSA-N 0 0 481.976 5.357 40 0 JKABRN COc1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1Br ZINC000016226675 556130149 /nfs/dbraw/zinc/13/01/49/556130149.db2.gz RYUGWSZKNARLBU-UHFFFAOYSA-N 0 0 455.786 5.453 40 0 JKABRN COc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1Br ZINC000016226722 556130172 /nfs/dbraw/zinc/13/01/72/556130172.db2.gz MRIZBIBIBMKVFN-UHFFFAOYSA-N 0 0 471.376 5.164 40 0 JKABRN COc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1Br ZINC000016226728 556130212 /nfs/dbraw/zinc/13/02/12/556130212.db2.gz FJGOCAMRGNUCSK-UHFFFAOYSA-N 0 0 494.208 5.500 40 0 JKABRN COc1ccc([C@H](CC(=O)c2ccc(Br)cc2)Sc2ccccc2N)cc1OC ZINC000016227228 556130223 /nfs/dbraw/zinc/13/02/23/556130223.db2.gz DLFQCPHXXJCSDT-QHCPKHFHSA-N 0 0 472.404 6.155 40 0 JKABRN COc1ccc(NC(=S)NC(=O)COc2ccc(C3CCCCC3)cc2)cc1Br ZINC000016226663 556130232 /nfs/dbraw/zinc/13/02/32/556130232.db2.gz FLECCDFKPHAQDZ-UHFFFAOYSA-N 0 0 477.424 5.397 40 0 JKABRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2F)cc1OC ZINC000016227308 556130236 /nfs/dbraw/zinc/13/02/36/556130236.db2.gz JKYAIQYKRJVFJG-JOCHJYFZSA-N 0 0 480.536 5.234 40 0 JKABRN COc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br ZINC000016226699 556130256 /nfs/dbraw/zinc/13/02/56/556130256.db2.gz GNOWLBPPNCICMY-UHFFFAOYSA-N 0 0 471.376 5.164 40 0 JKABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000016226792 556130259 /nfs/dbraw/zinc/13/02/59/556130259.db2.gz XFKGIPJWDHSMNT-UHFFFAOYSA-N 0 0 481.375 5.128 40 0 JKABRN COc1ccc2nc(Cl)c([C@@H]3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)cc2c1 ZINC000016227769 556130510 /nfs/dbraw/zinc/13/05/10/556130510.db2.gz RIZDMEBNQHDNCB-NRFANRHFSA-N 0 0 467.934 5.030 40 0 JKABRN S=C(NCc1ccc(CNC(=S)Nc2ccccc2Cl)cc1)Nc1ccccc1Cl ZINC000016238003 556130766 /nfs/dbraw/zinc/13/07/66/556130766.db2.gz YWWNDQBEEPTNIQ-UHFFFAOYSA-N 0 0 475.470 5.967 40 0 JKABRN Cc1[nH]c2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000016249740 556131043 /nfs/dbraw/zinc/13/10/43/556131043.db2.gz VABDFSUCFUZZFA-ASZNLBCTSA-N 0 0 473.601 5.108 40 0 JKABRN Cc1c(Cl)cccc1-c1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)o1 ZINC000016250039 556131413 /nfs/dbraw/zinc/13/14/13/556131413.db2.gz OPAJIKSKIIOLCC-FMIVXFBMSA-N 0 0 474.910 7.179 40 0 JKABRN Cc1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)cccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016250084 556131426 /nfs/dbraw/zinc/13/14/26/556131426.db2.gz MWWDMLJUQHJVIB-UHFFFAOYSA-N 0 0 498.197 7.897 40 0 JKABRN Cc1cc(C)c(NC(=O)Nc2cccc3ccccc32)c(C)c1NC(=O)Nc1cccc2ccccc21 ZINC000016267689 556131633 /nfs/dbraw/zinc/13/16/33/556131633.db2.gz BLUIRUDXPOWKSA-UHFFFAOYSA-N 0 0 488.591 8.206 40 0 JKABRN Cc1cc(C)c(NC(=O)NC[C@@H]2C[C@@H](CNC(=O)Nc3c(C)cc(C)cc3C)C2(C)C)c(C)c1 ZINC000016267254 556131668 /nfs/dbraw/zinc/13/16/68/556131668.db2.gz XMYOLPMKSZORMT-GOTSBHOMSA-N 0 0 464.654 6.143 40 0 JKABRN Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc(-c2nc3ncccc3o2)c1O ZINC000016269608 556131988 /nfs/dbraw/zinc/13/19/88/556131988.db2.gz AGSFOBMUVYSAAK-UHFFFAOYSA-N 0 0 480.307 6.723 40 0 JKABRN Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3s2)c1 ZINC000016269317 556132002 /nfs/dbraw/zinc/13/20/02/556132002.db2.gz UOWHZSIFRGFMFI-UHFFFAOYSA-N 0 0 489.597 5.565 40 0 JKABRN Cc1cc(OCCn2cc(/C=C3\N=C(c4ccccc4)OC3=O)c3ccccc32)ccc1Cl ZINC000016282339 556132275 /nfs/dbraw/zinc/13/22/75/556132275.db2.gz VHLPBTBTYUNKAJ-JLPGSUDCSA-N 0 0 456.929 6.027 40 0 JKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 ZINC000016283126 556132515 /nfs/dbraw/zinc/13/25/15/556132515.db2.gz VNNYWOFJUSUNTE-UHFFFAOYSA-N 0 0 472.994 6.707 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000016284349 556132951 /nfs/dbraw/zinc/13/29/51/556132951.db2.gz AWSVQZABRSUXHG-UHFFFAOYSA-N 0 0 482.587 6.827 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000016284345 556133000 /nfs/dbraw/zinc/13/30/00/556133000.db2.gz DZZDTOMPNMAPTG-ZRDIBKRKSA-N 0 0 473.363 6.841 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1cccc2ccccc21 ZINC000016284370 556133039 /nfs/dbraw/zinc/13/30/39/556133039.db2.gz VGWBMMKYSFDZTI-UHFFFAOYSA-N 0 0 458.521 6.053 40 0 JKABRN O=C(Nc1ccccc1C(=O)OCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000024522330 556133306 /nfs/dbraw/zinc/13/33/06/556133306.db2.gz BWQAGTKCFXLSJG-UHFFFAOYSA-N 0 0 471.534 5.129 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 ZINC000016284552 556133288 /nfs/dbraw/zinc/13/32/88/556133288.db2.gz SQJLRRXYZFWIDM-UHFFFAOYSA-N 0 0 495.608 5.796 40 0 JKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000016284532 556133332 /nfs/dbraw/zinc/13/33/32/556133332.db2.gz HOBYOEGZHKKIEL-UHFFFAOYSA-N 0 0 479.609 6.132 40 0 JKABRN Cc1ccc(OCC(=O)Nc2ccc3nn(-c4cccc5c(Cl)cccc54)nc3c2)c(C)c1 ZINC000016285035 556133562 /nfs/dbraw/zinc/13/35/62/556133562.db2.gz GXSODDLQGLFLOJ-UHFFFAOYSA-N 0 0 456.933 5.861 40 0 JKABRN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000024522808 556133671 /nfs/dbraw/zinc/13/36/71/556133671.db2.gz SOSKGQHGGRBOSV-UHFFFAOYSA-N 0 0 474.520 5.836 40 0 JKABRN Cc1ccc(CSc2ccc(Sc3ccc(SCc4ccc(C)cc4)cc3)cc2)cc1 ZINC000016292504 556133951 /nfs/dbraw/zinc/13/39/51/556133951.db2.gz YUHHOYHARMLFAV-UHFFFAOYSA-N 0 0 458.717 9.039 40 0 JKABRN Cc1nn(-c2ccccc2)c2nc3ccc(C)cc3c(-c3ccc(Nc4ccc(C)cc4)cc3)c12 ZINC000016293533 556134233 /nfs/dbraw/zinc/13/42/33/556134233.db2.gz CABCESJUCAIXKO-UHFFFAOYSA-N 0 0 454.577 7.910 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000016310567 556134250 /nfs/dbraw/zinc/13/42/50/556134250.db2.gz KSRNFFCTEZSLFD-UHFFFAOYSA-N 0 0 492.622 5.631 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000016293332 556134316 /nfs/dbraw/zinc/13/43/16/556134316.db2.gz DRSASJQCEKAVTF-UHFFFAOYSA-N 0 0 486.593 5.080 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000016309630 556134371 /nfs/dbraw/zinc/13/43/71/556134371.db2.gz YOBLBHJTUTZRKC-UHFFFAOYSA-N 0 0 488.719 5.496 40 0 JKABRN Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3n2)cc1 ZINC000016311086 556134581 /nfs/dbraw/zinc/13/45/81/556134581.db2.gz PTOFLLGZDMLSTQ-UHFFFAOYSA-N 0 0 454.982 7.405 40 0 JKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3n2)cc1C ZINC000016312680 556134930 /nfs/dbraw/zinc/13/49/30/556134930.db2.gz TVDOAFISKAJKBI-UHFFFAOYSA-N 0 0 455.743 5.706 40 0 JKABRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)sc2c1 ZINC000016321439 556135156 /nfs/dbraw/zinc/13/51/56/556135156.db2.gz PBRIROFBHMLJOF-UHFFFAOYSA-N 0 0 456.321 5.530 40 0 JKABRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)sc2c1 ZINC000016321435 556135215 /nfs/dbraw/zinc/13/52/15/556135215.db2.gz KEDYRQRHVNDRAQ-UHFFFAOYSA-N 0 0 455.495 5.280 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 ZINC000016322266 556135434 /nfs/dbraw/zinc/13/54/34/556135434.db2.gz LALYUYRPTUFKNF-CQSZACIVSA-N 0 0 452.407 5.264 40 0 JKABRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000016346740 556135703 /nfs/dbraw/zinc/13/57/03/556135703.db2.gz WTIQZEPRMXXAHX-SDNWHVSQSA-N 0 0 484.943 6.303 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4cc5ccccc5oc4=O)cc3)o2)cc1Cl ZINC000016346648 556135719 /nfs/dbraw/zinc/13/57/19/556135719.db2.gz ZPUWIYCIJXQGIA-FYWRMAATSA-N 0 0 481.935 7.334 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4nc5cc(C)c(C)cc5o4)cc3)o2)cc1Cl ZINC000016346652 556135727 /nfs/dbraw/zinc/13/57/27/556135727.db2.gz QXSLTNBKQLCNTN-ACCUITESSA-N 0 0 482.967 7.985 40 0 JKABRN CC(C)(NC(=O)Nc1cccc(F)c1)c1cccc(C(C)(C)NC(=O)Nc2cccc(F)c2)c1 ZINC000016323397 556135739 /nfs/dbraw/zinc/13/57/39/556135739.db2.gz OWEUDPCEKUHDCZ-UHFFFAOYSA-N 0 0 466.532 6.078 40 0 JKABRN CC(C)(NC(=O)Nc1ccc(F)cc1)c1cccc(C(C)(C)NC(=O)Nc2ccc(F)cc2)c1 ZINC000016323390 556135758 /nfs/dbraw/zinc/13/57/58/556135758.db2.gz NTRPSWVNJDMBGG-UHFFFAOYSA-N 0 0 466.532 6.078 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4nc5ccccc5o4)ccc3C)o2)cc1Cl ZINC000016347297 556136025 /nfs/dbraw/zinc/13/60/25/556136025.db2.gz SQHCIMIYYAFFJS-WYMLVPIESA-N 0 0 468.940 7.677 40 0 JKABRN COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)COc1cccc(C)c1 ZINC000016349816 556136325 /nfs/dbraw/zinc/13/63/25/556136325.db2.gz PXOJRCICILBVNB-UHFFFAOYSA-N 0 0 487.339 5.358 40 0 JKABRN Cc1cccc(CNC(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)NCc3cccc(C)c3)c2)c1 ZINC000016349185 556136387 /nfs/dbraw/zinc/13/63/87/556136387.db2.gz PQJAVGCZMFDGOI-UHFFFAOYSA-N 0 0 486.660 5.772 40 0 JKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(NC(=O)c4ccccc4C)c3)o2)cc1Cl ZINC000016362616 556136621 /nfs/dbraw/zinc/13/66/21/556136621.db2.gz HPHPTIXMFKXPFE-FYWRMAATSA-N 0 0 470.956 7.121 40 0 JKABRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000016384472 556136672 /nfs/dbraw/zinc/13/66/72/556136672.db2.gz CQVKSXOQNDXXMX-UHFFFAOYSA-N 0 0 462.324 5.739 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000016385393 556136902 /nfs/dbraw/zinc/13/69/02/556136902.db2.gz QGTJSVYCRLOJQC-UHFFFAOYSA-N 0 0 476.191 6.072 40 0 JKABRN O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)Nc1ccc(Cl)c(Cl)c1 ZINC000016385365 556136936 /nfs/dbraw/zinc/13/69/36/556136936.db2.gz QWOWNIYZMJTTTM-UHFFFAOYSA-N 0 0 475.275 6.020 40 0 JKABRN O=C(CSCCCCSCC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000016384887 556136952 /nfs/dbraw/zinc/13/69/52/556136952.db2.gz SMLHSQFBJJSIDZ-UHFFFAOYSA-N 0 0 496.308 7.612 40 0 JKABRN O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1)C1CCCCC1 ZINC000016399684 556137416 /nfs/dbraw/zinc/13/74/16/556137416.db2.gz XAMBHCQAEMVEFE-UHFFFAOYSA-N 0 0 468.619 5.557 40 0 JKABRN O=C(CSCCCCCCSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016400715 556137836 /nfs/dbraw/zinc/13/78/36/556137836.db2.gz RJWLVPOABSMNHN-UHFFFAOYSA-N 0 0 455.472 7.086 40 0 JKABRN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3)c1ccc(Cl)cc1 ZINC000016400752 556138015 /nfs/dbraw/zinc/13/80/15/556138015.db2.gz RGPZRGXOGKTVOQ-UHFFFAOYSA-N 0 0 487.433 6.218 40 0 JKABRN O=C(Nc1ccc(F)cc1)Nc1ccc(Cc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000016401928 556138363 /nfs/dbraw/zinc/13/83/63/556138363.db2.gz YXOPWJWHSQIEMS-UHFFFAOYSA-N 0 0 472.495 6.844 40 0 JKABRN S=C(Nc1ccc(Cc2ccc(NC(=S)NC3CCCCC3)cc2)cc1)NC1CCCCC1 ZINC000016401945 556138395 /nfs/dbraw/zinc/13/83/95/556138395.db2.gz MDBDFTSYPHBNAH-UHFFFAOYSA-N 0 0 480.747 6.516 40 0 JKABRN O=C(NCCCCCCCCCCCCNC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000016428389 556138549 /nfs/dbraw/zinc/13/85/49/556138549.db2.gz QEFRTYLIHYUUFH-UHFFFAOYSA-N 0 0 474.596 6.809 40 0 JKABRN COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C ZINC000016411784 556138588 /nfs/dbraw/zinc/13/85/88/556138588.db2.gz TYRFWYSNYWRZII-VGOFMYFVSA-N 0 0 464.157 5.383 40 0 JKABRN O=C(Nc1ccc(F)cc1)Nc1cc(Cl)c(NC(=O)Nc2ccc(F)cc2)cc1Cl ZINC000016428420 556138604 /nfs/dbraw/zinc/13/86/04/556138604.db2.gz PKEXQUKQLJUDPN-UHFFFAOYSA-N 0 0 451.260 6.560 40 0 JKABRN O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)Nc1ccc(Cl)cc1Cl ZINC000016429373 556138908 /nfs/dbraw/zinc/13/89/08/556138908.db2.gz NYQRECJCIXYYIC-UHFFFAOYSA-N 0 0 478.832 6.713 40 0 JKABRN FC(F)(F)c1ccnc(SCc2ccccc2CSc2nccc(C(F)(F)F)n2)n1 ZINC000016450130 556139377 /nfs/dbraw/zinc/13/93/77/556139377.db2.gz AVUPXPIXXAPMKI-UHFFFAOYSA-N 0 0 462.444 5.889 40 0 JKABRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cc(I)ccc1Cl ZINC000016450423 556139455 /nfs/dbraw/zinc/13/94/55/556139455.db2.gz CECXDOONTGAPSQ-UHFFFAOYSA-N 0 0 499.805 5.062 40 0 JKABRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1cccc2ccccc21 ZINC000016451261 556139813 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498.648 5.149 40 0 JKABRN S=C(Nc1ccccc1)NC1CCC(CC2CCC(NC(=S)Nc3ccccc3)CC2)CC1 ZINC000016489861 556140621 /nfs/dbraw/zinc/14/06/21/556140621.db2.gz CBFRHMHJUUCRDL-UHFFFAOYSA-N 0 0 480.747 6.467 40 0 JKABRN O=C(NCCN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000016487801 556140637 /nfs/dbraw/zinc/14/06/37/556140637.db2.gz OSJGNAXSAHIPJJ-UHFFFAOYSA-N 0 0 482.194 6.377 40 0 JKABRN O=C(NCCN(C(=O)Nc1cccc2ccccc21)c1ccccc1)Nc1cccc2ccccc21 ZINC000016487790 556140656 /nfs/dbraw/zinc/14/06/56/556140656.db2.gz ZQLQVVGEEIEQQM-UHFFFAOYSA-N 0 0 474.564 6.853 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016490392 556140978 /nfs/dbraw/zinc/14/09/78/556140978.db2.gz QHCJELRPJAEWHS-UHFFFAOYSA-N 0 0 484.883 5.177 40 0 JKABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000016491350 556140996 /nfs/dbraw/zinc/14/09/96/556140996.db2.gz CHTNCOXJSLOXJL-UHFFFAOYSA-N 0 0 475.825 5.609 40 0 JKABRN O=C(C(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)N1CCCCC1)N1CCCCC1 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QHNOKCOHUJAKLM-UHFFFAOYSA-N 0 0 470.197 7.374 40 0 JKABRN Fc1ccccc1-c1c(-c2nnnn2-c2ccccc2)cnn1-c1ccc(Cl)c(Cl)c1 ZINC000016523958 556141833 /nfs/dbraw/zinc/14/18/33/556141833.db2.gz YRMBHXQOCJDEQZ-UHFFFAOYSA-N 0 0 451.292 5.628 40 0 JKABRN O=C(Nc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1)c1cc2ccccc2o1 ZINC000016525737 556142021 /nfs/dbraw/zinc/14/20/21/556142021.db2.gz XZAGYWVTZBJRNW-UHFFFAOYSA-N 0 0 453.479 6.293 40 0 JKABRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccc2c(Br)cccc12 ZINC000016525613 556142035 /nfs/dbraw/zinc/14/20/35/556142035.db2.gz YXZXVGQCEIYHBK-UHFFFAOYSA-N 0 0 470.322 6.628 40 0 JKABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1sc2ccccc2c1Cl ZINC000016525295 556142054 /nfs/dbraw/zinc/14/20/54/556142054.db2.gz PDOGGCXNYIAJBR-UHFFFAOYSA-N 0 0 493.991 5.909 40 0 JKABRN O=C1NC(c2cc(I)ccc2Cl)=N/C1=C/c1cccc2ccccc12 ZINC000016526164 556142495 /nfs/dbraw/zinc/14/24/95/556142495.db2.gz AVFXSGBORVEQTC-VCHYOVAHSA-N 0 0 458.686 5.015 40 0 JKABRN O=C(NC(=S)Nc1cccc2ccccc21)c1cc(I)ccc1Cl ZINC000016545035 556142825 /nfs/dbraw/zinc/14/28/25/556142825.db2.gz FJBXTGRWBTUEPK-UHFFFAOYSA-N 0 0 466.731 5.225 40 0 JKABRN C[C@H](CCCNC(=S)Nc1ccc(Cl)cc1)CNC(=S)Nc1ccc(Cl)cc1 ZINC000016576288 556145258 /nfs/dbraw/zinc/14/52/58/556145258.db2.gz SDZNIJHKUDQZKK-CQSZACIVSA-N 0 0 455.480 5.683 40 0 JKABRN CC1(C)C[C@@H](NC(=O)NC2CCCCCCC2)C[C@](C)(CNC(=O)NC2CCCCCCC2)C1 ZINC000016577717 556145520 /nfs/dbraw/zinc/14/55/20/556145520.db2.gz VOCWPTWPKRAUBR-YWEHKCAJSA-N 0 0 476.750 6.396 40 0 JKABRN CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4c(Cl)cccc4Cl)cc3)C(=O)[C@@H]12 ZINC000016607245 556145888 /nfs/dbraw/zinc/14/58/88/556145888.db2.gz SGHNGZUXFDJZOI-BVIFKLCGSA-N 0 0 456.325 5.052 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(O[C@H](C)CC)c4)ccc3o2)cc1 ZINC000016610459 556146109 /nfs/dbraw/zinc/14/61/09/556146109.db2.gz RRYVRSFNHFEUKC-QGZVFWFLSA-N 0 0 489.597 6.198 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(O[C@@H](C)CC)cc4)ccc3o2)cc1 ZINC000016610391 556146194 /nfs/dbraw/zinc/14/61/94/556146194.db2.gz XEIQBLBOQOSSBT-KRWDZBQOSA-N 0 0 489.597 6.198 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3)nc2c1 ZINC000016610754 556146704 /nfs/dbraw/zinc/14/67/04/556146704.db2.gz NFIAUYNURQDYQX-OAHLLOKOSA-N 0 0 460.986 8.129 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc5ccccc5c4)c3)nc2c1 ZINC000016610743 556146725 /nfs/dbraw/zinc/14/67/25/556146725.db2.gz FILXNFHPSQHORE-IBGZPJMESA-N 0 0 450.538 7.179 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000016610942 556146963 /nfs/dbraw/zinc/14/69/63/556146963.db2.gz NLXOOOHWGCXYKT-LLVKDONJSA-N 0 0 470.809 6.192 40 0 JKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1c2ccccc2Sc2ccccc21 ZINC000024718014 556147188 /nfs/dbraw/zinc/14/71/88/556147188.db2.gz UOENQVGBTLDJNI-UHFFFAOYSA-N 0 0 481.986 6.224 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc(Cl)cc4)c3)nc2c1 ZINC000016610993 556147219 /nfs/dbraw/zinc/14/72/19/556147219.db2.gz JDOQEMOOCUELQO-MRXNPFEDSA-N 0 0 494.016 6.554 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 ZINC000016611073 556147259 /nfs/dbraw/zinc/14/72/59/556147259.db2.gz JNIWYEATGPGJSN-INIZCTEOSA-N 0 0 457.599 6.752 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc(Cl)cc4)c3)nc2c1 ZINC000016610995 556147266 /nfs/dbraw/zinc/14/72/66/556147266.db2.gz JDOQEMOOCUELQO-INIZCTEOSA-N 0 0 494.016 6.554 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)c3)nc2c1 ZINC000016611051 556147282 /nfs/dbraw/zinc/14/72/82/556147282.db2.gz MPEGQPMMZMIWLS-AWEZNQCLSA-N 0 0 498.435 7.442 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc(Cl)ccc4OC)c3)nc2c1 ZINC000016611057 556147292 /nfs/dbraw/zinc/14/72/92/556147292.db2.gz LRCLZOLRECGPSX-OAHLLOKOSA-N 0 0 494.016 6.797 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc(Cl)ccc4OC)c3)nc2c1 ZINC000016611059 556147296 /nfs/dbraw/zinc/14/72/96/556147296.db2.gz LRCLZOLRECGPSX-HNNXBMFYSA-N 0 0 494.016 6.797 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 ZINC000016611154 556147437 /nfs/dbraw/zinc/14/74/37/556147437.db2.gz JMMFWFXUEOTEFP-QGZVFWFLSA-N 0 0 473.598 6.534 40 0 JKABRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000016611152 556147440 /nfs/dbraw/zinc/14/74/40/556147440.db2.gz JMMFWFXUEOTEFP-KRWDZBQOSA-N 0 0 473.598 6.534 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc5ccccc5c4)c3)nc2c1 ZINC000016611179 556147729 /nfs/dbraw/zinc/14/77/29/556147729.db2.gz DMIDJKMCEJBLKN-GOSISDBHSA-N 0 0 479.605 7.288 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4Cl)c3)nc2c1 ZINC000016611250 556147798 /nfs/dbraw/zinc/14/77/98/556147798.db2.gz QDGSKLYOHOCLAA-OAHLLOKOSA-N 0 0 463.990 6.789 40 0 JKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(Cl)c4)c3)nc2c1 ZINC000016611193 556147802 /nfs/dbraw/zinc/14/78/02/556147802.db2.gz FBTMYOQMMDLQKA-HNNXBMFYSA-N 0 0 463.990 6.789 40 0 JKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4Cl)c3)nc2c1 ZINC000016611169 556147814 /nfs/dbraw/zinc/14/78/14/556147814.db2.gz QKAPMRDVVPFRMK-MRXNPFEDSA-N 0 0 478.017 7.097 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1 ZINC000016611215 556147827 /nfs/dbraw/zinc/14/78/27/556147827.db2.gz PWEZGWPHUIBBCG-KRWDZBQOSA-N 0 0 473.598 6.534 40 0 JKABRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000016611477 556147953 /nfs/dbraw/zinc/14/79/53/556147953.db2.gz ZBGIZDSLAAVNTK-XLHSGLJYSA-N 0 0 481.979 6.056 40 0 JKABRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000016611479 556147957 /nfs/dbraw/zinc/14/79/57/556147957.db2.gz ZBGIZDSLAAVNTK-HWUWQJTLSA-N 0 0 481.979 6.056 40 0 JKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000016637066 556148638 /nfs/dbraw/zinc/14/86/38/556148638.db2.gz NZDHHTMORVHTFQ-WEVVVXLNSA-N 0 0 470.809 5.912 40 0 JKABRN CCCC[C@](CC)(CCCNC(=S)Nc1ccccc1)CNC(=S)Nc1ccccc1 ZINC000016637634 556149051 /nfs/dbraw/zinc/14/90/51/556149051.db2.gz FTLCYMMPTDIEBO-RUZDIDTESA-N 0 0 456.725 6.326 40 0 JKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1 ZINC000016639328 556149269 /nfs/dbraw/zinc/14/92/69/556149269.db2.gz AGSVUYHZSHRZFE-UHFFFAOYSA-N 0 0 477.611 5.975 40 0 JKABRN CCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000016638290 556149474 /nfs/dbraw/zinc/14/94/74/556149474.db2.gz POGLRJXCOCSUJD-NRFANRHFSA-N 0 0 470.613 8.220 40 0 JKABRN CCCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1 ZINC000016678275 556150290 /nfs/dbraw/zinc/15/02/90/556150290.db2.gz KMEIDLBVXRRITP-SFHVURJKSA-N 0 0 487.625 6.924 40 0 JKABRN CCCCc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000016678208 556150354 /nfs/dbraw/zinc/15/03/54/556150354.db2.gz VWIQCPVUADBKIG-NDEPHWFRSA-N 0 0 457.574 5.974 40 0 JKABRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(OC)c(OC)c2)N1c1ccccc1 ZINC000016682614 556151437 /nfs/dbraw/zinc/15/14/37/556151437.db2.gz XBBQSCCBPIYIBC-XMMPIXPASA-N 0 0 465.937 5.259 40 0 JKABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000016688196 556151745 /nfs/dbraw/zinc/15/17/45/556151745.db2.gz XGWBEXMHTDXSBF-UHFFFAOYSA-N 0 0 452.963 6.666 40 0 JKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000016687821 556151823 /nfs/dbraw/zinc/15/18/23/556151823.db2.gz VSQVWCSRQWUXJR-UHFFFAOYSA-N 0 0 488.396 5.287 40 0 JKABRN CCOc1cc(CNc2cc(Cl)cc(Cl)c2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000016688344 556151999 /nfs/dbraw/zinc/15/19/99/556151999.db2.gz ODNHWADGYHNXIK-UHFFFAOYSA-N 0 0 459.801 5.951 40 0 JKABRN CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)cc(Br)c1OCC ZINC000016688358 556152049 /nfs/dbraw/zinc/15/20/49/556152049.db2.gz NOOUPVJAWJRKER-PXNMLYILSA-N 0 0 485.161 5.898 40 0 JKABRN CCOc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Br)c1OCc1ccccc1 ZINC000016688619 556152413 /nfs/dbraw/zinc/15/24/13/556152413.db2.gz HCXCTAIDXRLCMI-UHFFFAOYSA-N 0 0 470.363 5.415 40 0 JKABRN CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCc1ccc(Cl)cc1 ZINC000016689061 556152783 /nfs/dbraw/zinc/15/27/83/556152783.db2.gz GAWSJNOMCABSQB-QFEZKATASA-N 0 0 491.012 5.705 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4Cl)ccc3o2)cc1 ZINC000016691969 556152984 /nfs/dbraw/zinc/15/29/84/556152984.db2.gz ZFOBKKQVJARMOU-UHFFFAOYSA-N 0 0 481.961 5.439 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)cc1 ZINC000016691951 556153005 /nfs/dbraw/zinc/15/30/05/556153005.db2.gz KTJSOGDGRRNEEQ-UHFFFAOYSA-N 0 0 489.597 5.909 40 0 JKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 ZINC000016691995 556153487 /nfs/dbraw/zinc/15/34/87/556153487.db2.gz LQTXEBRJBVFFOU-UHFFFAOYSA-N 0 0 486.380 6.327 40 0 JKABRN CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000016692086 556153694 /nfs/dbraw/zinc/15/36/94/556153694.db2.gz DWCFMQSHGOCCQG-NTCAYCPXSA-N 0 0 498.970 6.693 40 0 JKABRN COC(=O)c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000016739507 556156246 /nfs/dbraw/zinc/15/62/46/556156246.db2.gz JFTSWGHACQJENT-UHFFFAOYSA-N 0 0 460.489 5.970 40 0 JKABRN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016740456 556156531 /nfs/dbraw/zinc/15/65/31/556156531.db2.gz MLDYSQNZEDLMBQ-UHFFFAOYSA-N 0 0 484.603 5.844 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)sc3c2SC(C)(C)[C@H]2CC[C@H](C)C[C@H]32)cc1 ZINC000016739624 556156581 /nfs/dbraw/zinc/15/65/81/556156581.db2.gz MSFLUHAEFMHFFO-WBAXXEDZSA-N 0 0 474.648 5.129 40 0 JKABRN Fc1cccc(Cl)c1CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757808 556157809 /nfs/dbraw/zinc/15/78/09/556157809.db2.gz PUXCSUZRMFXNRJ-UHFFFAOYSA-N 0 0 480.395 7.826 40 0 JKABRN Cc1ccc(C)c(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 ZINC000016757897 556157833 /nfs/dbraw/zinc/15/78/33/556157833.db2.gz PHSAFUBKRCJGNQ-UHFFFAOYSA-N 0 0 456.014 7.650 40 0 JKABRN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2Cl)cc1 ZINC000016757846 556157837 /nfs/dbraw/zinc/15/78/37/556157837.db2.gz QZMIZOZCIKNDAB-UHFFFAOYSA-N 0 0 462.405 7.687 40 0 JKABRN C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)c1ccccc1 ZINC000016757955 556158109 /nfs/dbraw/zinc/15/81/09/556158109.db2.gz RMQZMVUYQFNRLJ-SFHVURJKSA-N 0 0 486.438 7.703 40 0 JKABRN C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)c1ccccc1 ZINC000016757953 556158139 /nfs/dbraw/zinc/15/81/39/556158139.db2.gz RMQZMVUYQFNRLJ-GOSISDBHSA-N 0 0 486.438 7.703 40 0 JKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@H](C)c2ccccc2)cc1Cl ZINC000016758037 556158450 /nfs/dbraw/zinc/15/84/50/556158450.db2.gz NMMVATOOAQRMFD-LJQANCHMSA-N 0 0 456.014 7.903 40 0 JKABRN CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1)C(=O)OC ZINC000016758049 556158497 /nfs/dbraw/zinc/15/84/97/556158497.db2.gz KUJRNQHSLRKJDU-FQEVSTJZSA-N 0 0 451.979 6.093 40 0 JKABRN CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758029 556158515 /nfs/dbraw/zinc/15/85/15/556158515.db2.gz KNFTXWQKJPKSGV-INIZCTEOSA-N 0 0 451.979 6.093 40 0 JKABRN Clc1ccc2nc(CSc3nnc(SCc4cn5cc(Cl)ccc5n4)s3)cn2c1 ZINC000016769957 556158743 /nfs/dbraw/zinc/15/87/43/556158743.db2.gz BYGFNIVJQYVMTR-UHFFFAOYSA-N 0 0 479.443 5.725 40 0 JKABRN O=C(CCCSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1cc(Cl)ccc1Cl ZINC000016778551 556158757 /nfs/dbraw/zinc/15/87/57/556158757.db2.gz YIJUDBVRUVTKGK-UHFFFAOYSA-N 0 0 464.340 6.192 40 0 JKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000016769293 556158785 /nfs/dbraw/zinc/15/87/85/556158785.db2.gz BCFRFKYHYNKSMB-UHFFFAOYSA-N 0 0 464.784 6.203 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccccc1)cc2Cl ZINC000016779614 556159178 /nfs/dbraw/zinc/15/91/78/556159178.db2.gz GIURSDLESCEMBZ-UHFFFAOYSA-N 0 0 482.989 5.878 40 0 JKABRN Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016780691 556159427 /nfs/dbraw/zinc/15/94/27/556159427.db2.gz OSWZJLAIPDGJBG-UHFFFAOYSA-N 0 0 450.404 5.035 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccc(C)cc1)cc2C ZINC000016779618 556159485 /nfs/dbraw/zinc/15/94/85/556159485.db2.gz FAYBVNBPUWVWDZ-UHFFFAOYSA-N 0 0 476.598 5.842 40 0 JKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2-c2ccc(C)cc2)cc1 ZINC000016788805 556159704 /nfs/dbraw/zinc/15/97/04/556159704.db2.gz FWOBWORRSDDBJX-UHFFFAOYSA-N 0 0 463.006 6.244 40 0 JKABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788889 556160042 /nfs/dbraw/zinc/16/00/42/556160042.db2.gz TYZPDSAPQMDPMX-UHFFFAOYSA-N 0 0 483.424 6.534 40 0 JKABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000016788881 556160051 /nfs/dbraw/zinc/16/00/51/556160051.db2.gz BBRBRLKRHHGEBI-UHFFFAOYSA-N 0 0 483.424 6.589 40 0 JKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)n2Cc2ccco2)c1 ZINC000016788939 556160074 /nfs/dbraw/zinc/16/00/74/556160074.db2.gz LPWYGOHIULBFJV-UHFFFAOYSA-N 0 0 460.603 5.923 40 0 JKABRN COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2-c2ccc(Cl)cc2)cc1 ZINC000016789059 556160226 /nfs/dbraw/zinc/16/02/26/556160226.db2.gz BIQXFBMYVUACSI-UHFFFAOYSA-N 0 0 499.423 6.289 40 0 JKABRN COc1ccccc1-c1nnc(SCC(=O)c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000016789007 556160242 /nfs/dbraw/zinc/16/02/42/556160242.db2.gz LTJGJLPZPBMSJK-UHFFFAOYSA-N 0 0 470.381 6.225 40 0 JKABRN CCOc1ccc(-n2c(SCC(=O)c3ccc4ccccc4c3)nnc2-c2cccc(C)c2)cc1 ZINC000016788997 556160245 /nfs/dbraw/zinc/16/02/45/556160245.db2.gz RSOUBCBXUONODU-UHFFFAOYSA-N 0 0 479.605 6.770 40 0 JKABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)n2-c2ccccc2)cc1 ZINC000016789097 556160248 /nfs/dbraw/zinc/16/02/48/556160248.db2.gz BESICAOFQVIXEQ-UHFFFAOYSA-N 0 0 477.633 7.360 40 0 JKABRN COc1ccccc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000016789018 556160274 /nfs/dbraw/zinc/16/02/74/556160274.db2.gz ILYGDXROWCFQOJ-UHFFFAOYSA-N 0 0 470.381 6.225 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)c3ccc4ccccc4c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000016789103 556160294 /nfs/dbraw/zinc/16/02/94/556160294.db2.gz CYEMUGUNJOGTKN-UHFFFAOYSA-N 0 0 491.660 7.668 40 0 JKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)c1ccc2ccccc2c1 ZINC000016789197 556160599 /nfs/dbraw/zinc/16/05/99/556160599.db2.gz ZWDIOSZXTUNWEC-UHFFFAOYSA-N 0 0 455.970 6.716 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-c2ccccc2)cc1 ZINC000016789334 556160813 /nfs/dbraw/zinc/16/08/13/556160813.db2.gz FAMNCQYNZIMZIF-UHFFFAOYSA-N 0 0 458.587 5.502 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccccc2)cc1 ZINC000016789360 556160816 /nfs/dbraw/zinc/16/08/16/556160816.db2.gz YVSZCGDCDCJXFA-UHFFFAOYSA-N 0 0 458.587 5.502 40 0 JKABRN Cc1ccc(OCc2nnc(SCc3c(Cl)cccc3Cl)n2-c2ccc(C)cc2)cc1 ZINC000016789386 556160841 /nfs/dbraw/zinc/16/08/41/556160841.db2.gz JRJCDCFYHFFDIK-UHFFFAOYSA-N 0 0 470.425 7.062 40 0 JKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000016789279 556160854 /nfs/dbraw/zinc/16/08/54/556160854.db2.gz HQBMFCAFWHMVNY-UHFFFAOYSA-N 0 0 489.384 5.536 40 0 JKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 ZINC000016789382 556160871 /nfs/dbraw/zinc/16/08/71/556160871.db2.gz MUAFMLKNOUIUEZ-UHFFFAOYSA-N 0 0 479.005 5.847 40 0 JKABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)c(C)c1 ZINC000016789288 556160882 /nfs/dbraw/zinc/16/08/82/556160882.db2.gz JKLNJOJBUJILRT-UHFFFAOYSA-N 0 0 482.993 5.499 40 0 JKABRN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccccc1Br ZINC000016789452 556161009 /nfs/dbraw/zinc/16/10/09/556161009.db2.gz NEGRESZUXOZQSC-UHFFFAOYSA-N 0 0 485.794 5.720 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc43)nnc2-c2ccccn2)cc1 ZINC000016789539 556161020 /nfs/dbraw/zinc/16/10/20/556161020.db2.gz IQWFPZPHNSTHQX-UHFFFAOYSA-N 0 0 467.554 5.222 40 0 JKABRN Cc1ccc(-n2c(SCC(=O)c3cccc(Br)c3)nnc2-c2ccccn2)cc1 ZINC000016789485 556161041 /nfs/dbraw/zinc/16/10/41/556161041.db2.gz VCTCPEOIRJZWDG-UHFFFAOYSA-N 0 0 465.376 5.375 40 0 JKABRN COc1ccc(-n2c(SCC(=O)Nc3c(Cl)cccc3Cl)nnc2-c2cccnc2)cc1 ZINC000016789459 556161064 /nfs/dbraw/zinc/16/10/64/556161064.db2.gz ANSXQLSPGGRIOW-UHFFFAOYSA-N 0 0 486.384 5.376 40 0 JKABRN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nnc(-c5ccc(F)cc5)n4N)cc3)sc2c1 ZINC000016805119 556161397 /nfs/dbraw/zinc/16/13/97/556161397.db2.gz VWMRHCPAKSNZSP-UHFFFAOYSA-N 0 0 490.589 5.114 40 0 JKABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc(NS(=O)(=O)c1ccccc1)cc2C ZINC000016807652 556162461 /nfs/dbraw/zinc/16/24/61/556162461.db2.gz YNDANRWXQWUBLS-UHFFFAOYSA-N 0 0 478.570 5.233 40 0 JKABRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2-c2ccccc2)cc1 ZINC000016807882 556162712 /nfs/dbraw/zinc/16/27/12/556162712.db2.gz IGZVCHJXQJBBSY-UHFFFAOYSA-N 0 0 495.402 5.436 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 ZINC000016807889 556162764 /nfs/dbraw/zinc/16/27/64/556162764.db2.gz OTVIPBUEUSFTBV-UHFFFAOYSA-N 0 0 474.586 5.381 40 0 JKABRN CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000016807872 556162779 /nfs/dbraw/zinc/16/27/79/556162779.db2.gz AWRCAGKQLPZRLO-UHFFFAOYSA-N 0 0 479.005 6.026 40 0 JKABRN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3OC)CC2=O)cc1 ZINC000016902517 556173556 /nfs/dbraw/zinc/17/35/56/556173556.db2.gz ZDYJFRFOLFASRS-HXUWFJFHSA-N 0 0 471.557 5.043 40 0 JKABRN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3Cl)CC2=O)cc1 ZINC000016902503 556173607 /nfs/dbraw/zinc/17/36/07/556173607.db2.gz PQBYMRWNAKUNGA-IBGZPJMESA-N 0 0 475.976 5.688 40 0 JKABRN O=C(COC(=O)[C@H](CC(=O)c1ccccc1)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000016951587 556183901 /nfs/dbraw/zinc/18/39/01/556183901.db2.gz FMPQADBPHYCLFK-NDEPHWFRSA-N 0 0 462.545 6.211 40 0 JKABRN O=C(/C=C/C(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1c(Cl)cc(Cl)cc1Cl ZINC000016955260 556186878 /nfs/dbraw/zinc/18/68/78/556186878.db2.gz PVAYWDBKLFNXLA-OWOJBTEDSA-N 0 0 474.938 6.674 40 0 JKABRN CCOC(=O)c1ccc(/N=c2/sc3ccccc3nc2Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000016958724 556189161 /nfs/dbraw/zinc/18/91/61/556189161.db2.gz PDRBKBDXNLQMAH-ZZIIXHQDSA-N 0 0 473.554 5.626 40 0 JKABRN O=C(C[C@H](c1ccc(Br)cc1)c1cccc2ccccc21)c1ccc(Br)cc1 ZINC000016971013 556192257 /nfs/dbraw/zinc/19/22/57/556192257.db2.gz XLBKDHSNCZGBIV-XMMPIXPASA-N 0 0 494.226 7.770 40 0 JKABRN COCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000025164279 556201634 /nfs/dbraw/zinc/20/16/34/556201634.db2.gz BIYATEDYIXRSNB-UHFFFAOYSA-N 0 0 454.979 5.261 40 0 JKABRN O=C(CC[C@H](C(=O)Nc1ccccc1)C(O)(c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000017021245 556204660 /nfs/dbraw/zinc/20/46/60/556204660.db2.gz GATAHSFRVCDBOD-HHHXNRCGSA-N 0 0 464.565 5.596 40 0 JKABRN COc1cccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000013024935 556215156 /nfs/dbraw/zinc/21/51/56/556215156.db2.gz QITVJTKVQGDXGT-XMMPIXPASA-N 0 0 466.965 5.384 40 0 JKABRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013024949 556215169 /nfs/dbraw/zinc/21/51/69/556215169.db2.gz FWCKQKGCKOVFHM-XMMPIXPASA-N 0 0 479.964 5.338 40 0 JKABRN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1cccc(Br)c1 ZINC000017083458 556215407 /nfs/dbraw/zinc/21/54/07/556215407.db2.gz ZNIVTMROJWZGAX-HSZRJFAPSA-N 0 0 470.750 5.110 40 0 JKABRN O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(Cl)cc1 ZINC000017083422 556215409 /nfs/dbraw/zinc/21/54/09/556215409.db2.gz IYBKQRYDDCMBTI-XMMPIXPASA-N 0 0 484.777 5.152 40 0 JKABRN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000017083448 556215411 /nfs/dbraw/zinc/21/54/11/556215411.db2.gz ZXSQSHGCAGZCNK-GDLZYMKVSA-N 0 0 467.952 6.014 40 0 JKABRN COc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013024982 556215439 /nfs/dbraw/zinc/21/54/39/556215439.db2.gz JTIDVNIWLVISNU-HSZRJFAPSA-N 0 0 452.938 5.389 40 0 JKABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000013024971 556215470 /nfs/dbraw/zinc/21/54/70/556215470.db2.gz ZAPWTIZVUHOSBG-QHCPKHFHSA-N 0 0 452.938 5.389 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(OC)cc(OC)c2)cc1 ZINC000013025518 556216085 /nfs/dbraw/zinc/21/60/85/556216085.db2.gz QYITYYXXYFMFNN-AREMUKBSSA-N 0 0 492.572 5.142 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 ZINC000013025487 556216111 /nfs/dbraw/zinc/21/61/11/556216111.db2.gz DZCCGJXIWXRTII-DEOSSOPVSA-N 0 0 450.510 5.264 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1 ZINC000013025463 556216132 /nfs/dbraw/zinc/21/61/32/556216132.db2.gz GUSADGHZHPFYOO-MHZLTWQESA-N 0 0 474.601 5.472 40 0 JKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 ZINC000013025485 556216142 /nfs/dbraw/zinc/21/61/42/556216142.db2.gz DZCCGJXIWXRTII-XMMPIXPASA-N 0 0 450.510 5.264 40 0 JKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1 ZINC000013025524 556216300 /nfs/dbraw/zinc/21/63/00/556216300.db2.gz KXIQJFASZBEMED-SANMLTNESA-N 0 0 492.572 5.142 40 0 JKABRN COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 ZINC000017086216 556216350 /nfs/dbraw/zinc/21/63/50/556216350.db2.gz CZVYWXFGODQITQ-GZTJUZNOSA-N 0 0 458.695 5.716 40 0 JKABRN O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1ccco1)c1ccc(C2CCCCC2)cc1 ZINC000013025639 556216352 /nfs/dbraw/zinc/21/63/52/556216352.db2.gz NJDGLTSBTZEPQW-AREMUKBSSA-N 0 0 476.642 6.836 40 0 JKABRN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2OCc2ccccc2)c(C)c1 ZINC000017086305 556216584 /nfs/dbraw/zinc/21/65/84/556216584.db2.gz SOZKYUIDJHFAPR-AREMUKBSSA-N 0 0 465.557 5.402 40 0 JKABRN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2OCc2ccc(F)cc2)c(C)c1 ZINC000017086310 556216590 /nfs/dbraw/zinc/21/65/90/556216590.db2.gz KDVILWDPQLPFRI-SANMLTNESA-N 0 0 483.547 5.541 40 0 JKABRN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2Cl)n2ncnc2N1 ZINC000017086337 556216624 /nfs/dbraw/zinc/21/66/24/556216624.db2.gz QZYOAIQWJCFASI-RUZDIDTESA-N 0 0 485.975 5.116 40 0 JKABRN Cc1nn2c(nc(-c3ccc(OCc4ccccc4)cc3)cc2C(F)(F)F)c1-c1ccccc1 ZINC000017086355 556216643 /nfs/dbraw/zinc/21/66/43/556216643.db2.gz BLQKNHRJRFQNTI-UHFFFAOYSA-N 0 0 459.471 6.970 40 0 JKABRN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2OCc2ccc(F)cc2)n2ncnc2N1 ZINC000017086325 556216652 /nfs/dbraw/zinc/21/66/52/556216652.db2.gz LLAYWJIBAVTKHJ-XMMPIXPASA-N 0 0 489.938 5.577 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2Cl)c1 ZINC000013025842 556216919 /nfs/dbraw/zinc/21/69/19/556216919.db2.gz QJVVNRHIPKZWDN-QHCPKHFHSA-N 0 0 452.938 5.389 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)c1 ZINC000013025844 556216958 /nfs/dbraw/zinc/21/69/58/556216958.db2.gz PPSMTSPUHXZOSE-HSZRJFAPSA-N 0 0 452.938 5.389 40 0 JKABRN CCOc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013025790 556217010 /nfs/dbraw/zinc/21/70/10/556217010.db2.gz UQOZRULJODXJAJ-DEOSSOPVSA-N 0 0 450.510 5.264 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)c1 ZINC000013025846 556217014 /nfs/dbraw/zinc/21/70/14/556217014.db2.gz PPSMTSPUHXZOSE-QHCPKHFHSA-N 0 0 452.938 5.389 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)c1OC ZINC000013025967 556217198 /nfs/dbraw/zinc/21/71/98/556217198.db2.gz IHHNAOVQDQPSLO-QHCPKHFHSA-N 0 0 482.964 5.397 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)c1OC ZINC000013025931 556217206 /nfs/dbraw/zinc/21/72/06/556217206.db2.gz DGLPIGRSWFZLEI-SANMLTNESA-N 0 0 490.600 5.090 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(Cl)cc2)c1OC ZINC000013025959 556217235 /nfs/dbraw/zinc/21/72/35/556217235.db2.gz BGRGHMKRZUAHHX-QHCPKHFHSA-N 0 0 482.964 5.397 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)c1OC ZINC000013025965 556217239 /nfs/dbraw/zinc/21/72/39/556217239.db2.gz IHHNAOVQDQPSLO-HSZRJFAPSA-N 0 0 482.964 5.397 40 0 JKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2Cl)c1OC ZINC000013025963 556217252 /nfs/dbraw/zinc/21/72/52/556217252.db2.gz KOHCSRYJJKKQPE-QHCPKHFHSA-N 0 0 482.964 5.397 40 0 JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(Cl)cc2)c1OC ZINC000013025956 556217271 /nfs/dbraw/zinc/21/72/71/556217271.db2.gz BGRGHMKRZUAHHX-HSZRJFAPSA-N 0 0 482.964 5.397 40 0 JKABRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000017110312 556217301 /nfs/dbraw/zinc/21/73/01/556217301.db2.gz GSPPFJJUCULBDC-FOCYRBLYSA-N 0 0 473.745 9.209 40 0 in-man JKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)c1OC ZINC000013026053 556217544 /nfs/dbraw/zinc/21/75/44/556217544.db2.gz QJYSYEHOEYNABI-XMMPIXPASA-N 0 0 462.546 5.052 40 0 JKABRN CCOc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)c1 ZINC000013026034 556217569 /nfs/dbraw/zinc/21/75/69/556217569.db2.gz ZYUUJWUQPHRQPL-RUZDIDTESA-N 0 0 492.572 5.142 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1OC ZINC000013026286 556218134 /nfs/dbraw/zinc/21/81/34/556218134.db2.gz GEVSUEAKUXPKBA-HHHXNRCGSA-N 0 0 490.600 5.090 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1OC ZINC000013026282 556218171 /nfs/dbraw/zinc/21/81/71/556218171.db2.gz KVXPUZUQRZPNHK-HHHXNRCGSA-N 0 0 490.600 5.090 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(C)ccc2C)cc1OC ZINC000013026444 556218703 /nfs/dbraw/zinc/21/87/03/556218703.db2.gz UDDLMJQHQFTXOZ-AREMUKBSSA-N 0 0 476.573 5.361 40 0 JKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)c2ccco2)cc1 ZINC000013026498 556218753 /nfs/dbraw/zinc/21/87/53/556218753.db2.gz FFIPALJBMXXACN-XMMPIXPASA-N 0 0 466.965 5.384 40 0 JKABRN COc1cccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)c1 ZINC000013026702 556219244 /nfs/dbraw/zinc/21/92/44/556219244.db2.gz WZPSIZAWQPZZTQ-HHHXNRCGSA-N 0 0 474.601 5.854 40 0 JKABRN COc1ccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC ZINC000013026832 556219525 /nfs/dbraw/zinc/21/95/25/556219525.db2.gz XGNJHOXCLLTMQC-MHZLTWQESA-N 0 0 490.600 5.090 40 0 JKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1 ZINC000013026759 556219582 /nfs/dbraw/zinc/21/95/82/556219582.db2.gz RNVKBENBOHFRJU-HHHXNRCGSA-N 0 0 458.602 5.635 40 0 JKABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1nsc(Cl)c1Cl)C1CCCC1 ZINC000013027086 556220125 /nfs/dbraw/zinc/22/01/25/556220125.db2.gz GULNDNIBCGMRRM-HXUWFJFHSA-N 0 0 498.451 6.164 40 0 JKABRN COCCN(C(=O)c1nsc(Cl)c1Cl)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000013027133 556220145 /nfs/dbraw/zinc/22/01/45/556220145.db2.gz CGJDDQLQRAJGMF-LJQANCHMSA-N 0 0 484.449 5.037 40 0 JKABRN COCCN(C(=O)c1nsc(Cl)c1Cl)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000013027136 556220150 /nfs/dbraw/zinc/22/01/50/556220150.db2.gz CGJDDQLQRAJGMF-IBGZPJMESA-N 0 0 484.449 5.037 40 0 JKABRN O=C(CSc1nc(CCc2ccccc2)nc2sc3c(c21)CCCC3)NC1CCCC1 ZINC000013027848 556221018 /nfs/dbraw/zinc/22/10/18/556221018.db2.gz YRCHYEKPYYLUNU-UHFFFAOYSA-N 0 0 451.661 5.506 40 0 JKABRN C[C@@H]1CCCN(C(=O)CSc2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)C1 ZINC000013027866 556221051 /nfs/dbraw/zinc/22/10/51/556221051.db2.gz IWEGDWHCQIHWPT-GOSISDBHSA-N 0 0 465.688 5.706 40 0 JKABRN C[C@H]1CCCC[C@H]1OC(=O)Nc1ccc(Cc2ccc(NC(=O)O[C@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000025692588 556230196 /nfs/dbraw/zinc/23/01/96/556230196.db2.gz PZGLNYOOHRUUDU-LKSLQULUSA-N 0 0 478.633 7.532 40 0 JKABRN C[C@H]1CCCC[C@H]1OC(=O)Nc1ccc(Cc2ccc(NC(=O)O[C@@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000025692597 556230208 /nfs/dbraw/zinc/23/02/08/556230208.db2.gz PZGLNYOOHRUUDU-YXVKNGOVSA-N 0 0 478.633 7.532 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1C ZINC000013032209 556230573 /nfs/dbraw/zinc/23/05/73/556230573.db2.gz WYDKTELBKGWMAD-SANMLTNESA-N 0 0 487.604 5.029 40 0 JKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000025868934 556237536 /nfs/dbraw/zinc/23/75/36/556237536.db2.gz GAJYTUZSOMZEEY-UHFFFAOYSA-N 0 0 456.167 5.247 40 0 JKABRN Cc1ccc(NC(=O)OC[C@H](COc2ccc(Cl)cc2)OC(=O)Nc2ccc(C)cc2)cc1 ZINC000017197242 556238792 /nfs/dbraw/zinc/23/87/92/556238792.db2.gz YSBRQTZWSCEGIV-QHCPKHFHSA-N 0 0 468.937 6.202 40 0 JKABRN c1ccc(COC[C@H]2O[C@@H](c3ccccc3)C[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000017223932 556242847 /nfs/dbraw/zinc/24/28/47/556242847.db2.gz PWGCIYZSXZNVPZ-IGUZCVLDSA-N 0 0 494.631 6.904 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C(=O)N1CCCC1 ZINC000026115343 556245644 /nfs/dbraw/zinc/24/56/44/556245644.db2.gz VFBBZOOIBMRESC-UHFFFAOYSA-N 0 0 452.601 5.112 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCCC1 ZINC000026115554 556246021 /nfs/dbraw/zinc/24/60/21/556246021.db2.gz QTJUZTXMUCQGMW-UHFFFAOYSA-N 0 0 479.838 5.406 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118675 556247846 /nfs/dbraw/zinc/24/78/46/556247846.db2.gz UONDAOLUIYKVLH-UHFFFAOYSA-N 0 0 497.480 5.152 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)N1CCC(C)CC1 ZINC000026118620 556247897 /nfs/dbraw/zinc/24/78/97/556247897.db2.gz PCGBDKRAMZRZNF-UHFFFAOYSA-N 0 0 453.029 5.043 40 0 JKABRN CC(C)(C)[C@@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253569 556248272 /nfs/dbraw/zinc/24/82/72/556248272.db2.gz CPQWLSMXDCOCJE-NPWPFVJVSA-N 0 0 461.005 6.654 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000026119395 556248458 /nfs/dbraw/zinc/24/84/58/556248458.db2.gz FIZNUHPDHWKONK-UHFFFAOYSA-N 0 0 473.447 5.388 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C(=O)N1CCCCCC1 ZINC000026119670 556248467 /nfs/dbraw/zinc/24/84/67/556248467.db2.gz ZIQJHJQTHNKXHI-UHFFFAOYSA-N 0 0 454.617 5.379 40 0 JKABRN CSc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1C(=O)N1CCCCCC1 ZINC000026119866 556248571 /nfs/dbraw/zinc/24/85/71/556248571.db2.gz SUCGMUNPRWFWPM-UHFFFAOYSA-N 0 0 499.123 5.149 40 0 JKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 ZINC000026120331 556248783 /nfs/dbraw/zinc/24/87/83/556248783.db2.gz VKNIJABDWCGFTJ-UHFFFAOYSA-N 0 0 460.665 5.350 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000026120230 556248821 /nfs/dbraw/zinc/24/88/21/556248821.db2.gz CUXQWHHRKAUNFO-UHFFFAOYSA-N 0 0 456.992 5.018 40 0 JKABRN CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)N1CCCCCC1 ZINC000026119922 556248850 /nfs/dbraw/zinc/24/88/50/556248850.db2.gz NQVVZJGUYKMCCA-UHFFFAOYSA-N 0 0 487.474 5.210 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)N1CCCCCC1 ZINC000026120844 556249104 /nfs/dbraw/zinc/24/91/04/556249104.db2.gz UZKDEPIOOQWXJV-UHFFFAOYSA-N 0 0 473.447 5.532 40 0 JKABRN CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(=O)N1CCCCCC1 ZINC000026120504 556249152 /nfs/dbraw/zinc/24/91/52/556249152.db2.gz ZKBJABMUEFHKNJ-UHFFFAOYSA-N 0 0 460.665 5.657 40 0 JKABRN CCCCc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000026120551 556249159 /nfs/dbraw/zinc/24/91/59/556249159.db2.gz AYJHUGNPLQIXRW-UHFFFAOYSA-N 0 0 460.665 5.568 40 0 JKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000026124207 556249746 /nfs/dbraw/zinc/24/97/46/556249746.db2.gz ABXPBHAPBOYLIK-WYMLVPIESA-N 0 0 499.368 6.403 40 0 JKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1 ZINC000026124750 556249876 /nfs/dbraw/zinc/24/98/76/556249876.db2.gz AMSHWMWBZVKIDC-UHFFFAOYSA-N 0 0 450.926 5.025 40 0 JKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000026270775 556251286 /nfs/dbraw/zinc/25/12/86/556251286.db2.gz UVZUFUGNHDDLRQ-VUARJUAMSA-N 0 0 490.772 9.253 40 0 JKABRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOCCOc1ccccc1C ZINC000026593454 556257790 /nfs/dbraw/zinc/25/77/90/556257790.db2.gz DBNVANXKPFVYAR-QNGOZBTKSA-N 0 0 459.589 5.197 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN([C@H](CC)c3nnnn3C3CCCCC3)C3CCCC3)cc2c1 ZINC000013063664 556260684 /nfs/dbraw/zinc/26/06/84/556260684.db2.gz ACSHGXNXWCWNLU-RUZDIDTESA-N 0 0 462.642 5.478 40 0 JKABRN CCc1ccc2[nH]c(=O)c(CN([C@H](CC)c3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000013063693 556260724 /nfs/dbraw/zinc/26/07/24/556260724.db2.gz DMNMZNGVMOIVSS-AREMUKBSSA-N 0 0 470.621 5.021 40 0 JKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C(F)(F)F)c2)c2cccnc2)c1C ZINC000026770927 556260870 /nfs/dbraw/zinc/26/08/70/556260870.db2.gz HHGBQCGGUODOIG-QHCPKHFHSA-N 0 0 481.543 7.233 40 0 JKABRN CCCOP(=O)(OCCC)[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000026780102 556262075 /nfs/dbraw/zinc/26/20/75/556262075.db2.gz HRYOIBAJDKGZJK-IBGZPJMESA-N 0 0 458.417 6.572 40 0 JKABRN Cc1cccc(NC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1 ZINC000026780017 556262098 /nfs/dbraw/zinc/26/20/98/556262098.db2.gz ZBIMWUPERCNZET-UHFFFAOYSA-N 0 0 450.347 5.747 40 0 JKABRN O=C(c1cc(-c2ccccc2Cl)nc2ccccc21)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000026780161 556262186 /nfs/dbraw/zinc/26/21/86/556262186.db2.gz WTTRXYCADONXAX-FLIBITNWSA-N 0 0 468.000 6.026 40 0 JKABRN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064579 556262440 /nfs/dbraw/zinc/26/24/40/556262440.db2.gz URIQKFZOOIBPBS-HSZRJFAPSA-N 0 0 450.631 5.172 40 0 JKABRN CC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064829 556262906 /nfs/dbraw/zinc/26/29/06/556262906.db2.gz QTFCIJJYRYMHEW-MHZLTWQESA-N 0 0 484.648 5.443 40 0 JKABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064987 556263176 /nfs/dbraw/zinc/26/31/76/556263176.db2.gz RTMOLUMCFYAZJC-MHZLTWQESA-N 0 0 484.648 5.270 40 0 JKABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065027 556263346 /nfs/dbraw/zinc/26/33/46/556263346.db2.gz JWEANCRQDKOUDK-QFIPXVFZSA-N 0 0 450.631 5.172 40 0 JKABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064986 556263392 /nfs/dbraw/zinc/26/33/92/556263392.db2.gz RTMOLUMCFYAZJC-HHHXNRCGSA-N 0 0 484.648 5.270 40 0 JKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)N2CCC(Cc4ccccc4)CC2)n1)CC[C@H](C)C3 ZINC000013065309 556263626 /nfs/dbraw/zinc/26/36/26/556263626.db2.gz PDPNBNUIKJWOLA-IBGZPJMESA-N 0 0 493.742 6.513 40 0 JKABRN CC[C@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065194 556263655 /nfs/dbraw/zinc/26/36/55/556263655.db2.gz OTGLNTQNRNZNFG-AREMUKBSSA-N 0 0 484.648 5.443 40 0 JKABRN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2C(F)(F)F)n1)CC[C@@H](C)C3 ZINC000013065312 556263826 /nfs/dbraw/zinc/26/38/26/556263826.db2.gz WHWXEWBOUOCFLE-LLVKDONJSA-N 0 0 451.539 5.874 40 0 JKABRN CC(C)(C)[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCCc4ccccc4)c23)C1 ZINC000013065323 556263848 /nfs/dbraw/zinc/26/38/48/556263848.db2.gz BYTCTRFZYJWKKW-IBGZPJMESA-N 0 0 479.715 6.171 40 0 JKABRN COc1ccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000013065321 556263865 /nfs/dbraw/zinc/26/38/65/556263865.db2.gz QNTJFHGWEJUKMO-QGZVFWFLSA-N 0 0 466.672 6.703 40 0 JKABRN CC1CCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)CC1 ZINC000013065341 556264098 /nfs/dbraw/zinc/26/40/98/556264098.db2.gz AEFBHQAIHJXZMO-QGZVFWFLSA-N 0 0 457.709 6.070 40 0 JKABRN CC(=O)Nc1ccc(C)c(NC(=O)CN(C(=O)c2sc3ccccc3c2Cl)C2CCCCC2)c1 ZINC000013065346 556264101 /nfs/dbraw/zinc/26/41/01/556264101.db2.gz XRBSCELCUFVQTC-UHFFFAOYSA-N 0 0 498.048 6.235 40 0 JKABRN C[C@@H]1CCCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)C1 ZINC000013065330 556264128 /nfs/dbraw/zinc/26/41/28/556264128.db2.gz BGUOSZZVBHJMHD-NVXWUHKLSA-N 0 0 457.709 6.070 40 0 JKABRN CC1CCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)CC1 ZINC000013065340 556264156 /nfs/dbraw/zinc/26/41/56/556264156.db2.gz AEFBHQAIHJXZMO-KRWDZBQOSA-N 0 0 457.709 6.070 40 0 JKABRN COc1ccccc1[C@@H]1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3)N2C1=S ZINC000017724648 556264877 /nfs/dbraw/zinc/26/48/77/556264877.db2.gz UFILVJMNOYPPKX-GZGNHOFSSA-N 0 0 472.997 5.840 40 0 JKABRN O=C1[C@H]2[C@@H](C(=O)N1CN(Cc1ccccc1)c1ccccc1)C1c3ccccc3C2c2ccccc21 ZINC000017836913 556268384 /nfs/dbraw/zinc/26/83/84/556268384.db2.gz CGEZOPRSIKMBRE-QYVRTBTHSA-N 0 0 470.572 5.543 40 0 JKABRN O=C1N[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000027025728 556272575 /nfs/dbraw/zinc/27/25/75/556272575.db2.gz YNUDWGNMYMRHDI-LVCYWYKZSA-N 0 0 499.272 5.357 40 0 JKABRN CC(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000027095166 556273823 /nfs/dbraw/zinc/27/38/23/556273823.db2.gz DSDDAZVMBQIMGF-XQNWCSQWSA-N 0 0 480.608 5.581 40 0 JKABRN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@H](c5ccccc5)C[C@@H]4C3=O)cc2)cc1 ZINC000017988689 556274400 /nfs/dbraw/zinc/27/44/00/556274400.db2.gz CZWLFBTUHJVFNG-AFESJLNVSA-N 0 0 481.548 5.108 40 0 JKABRN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2ON1c1ccccc1 ZINC000018045566 556279948 /nfs/dbraw/zinc/27/99/48/556279948.db2.gz XGKXKPRQITVARF-URVUXULASA-N 0 0 469.324 5.053 40 0 JKABRN Cc1cc(C)c(C)c(C(=O)CSc2nnc3n(Cc4ccccc4)c4ccccc4n23)c1C ZINC000013084029 556281416 /nfs/dbraw/zinc/28/14/16/556281416.db2.gz RZSCFSAPBQANRO-UHFFFAOYSA-N 0 0 454.599 5.941 40 0 JKABRN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018059661 556281485 /nfs/dbraw/zinc/28/14/85/556281485.db2.gz HEBPGXFSRJKKIQ-FSSWDIPSSA-N 0 0 469.324 5.053 40 0 JKABRN COc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2sccc2C)c1 ZINC000013084686 556281951 /nfs/dbraw/zinc/28/19/51/556281951.db2.gz PSBAPKWFUBDZNG-SFHVURJKSA-N 0 0 454.514 5.151 40 0 JKABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1sc(C)nc1C)c1ccc(C)cc1 ZINC000013084478 556281955 /nfs/dbraw/zinc/28/19/55/556281955.db2.gz PCWAJVVIRWHTMN-NRFANRHFSA-N 0 0 450.608 5.156 40 0 JKABRN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)NC12CC3CC(CC(C3)C1)C2 ZINC000013084703 556282001 /nfs/dbraw/zinc/28/20/01/556282001.db2.gz XRYMHTRRUPWKCJ-UHFFFAOYSA-N 0 0 464.034 6.127 40 0 JKABRN CC(=O)c1ccc(-c2coc(-c3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC(C)(C)C)cc3)c2)cc1 ZINC000027515767 556282010 /nfs/dbraw/zinc/28/20/10/556282010.db2.gz XDEHZBPYEZKSSO-RUZDIDTESA-N 0 0 472.541 5.786 40 0 JKABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC000013086538 556286157 /nfs/dbraw/zinc/28/61/57/556286157.db2.gz CUGMCHFGFXUOHU-UHFFFAOYSA-N 0 0 494.598 5.105 40 0 JKABRN O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000013086544 556286217 /nfs/dbraw/zinc/28/62/17/556286217.db2.gz UNDGVQVILCWACB-UHFFFAOYSA-N 0 0 485.012 6.604 40 0 JKABRN COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1ccc(-c2ccc(F)cc2)nn1 ZINC000013086618 556286389 /nfs/dbraw/zinc/28/63/89/556286389.db2.gz VGIQMAUUHPLVOX-INIZCTEOSA-N 0 0 451.567 5.702 40 0 JKABRN Cc1ccc2c(c1)N(C(=O)CSc1ccc(-c3nc4cc(C)c(C)cc4[nH]3)cn1)C(C)(C)C=C2C ZINC000013086550 556286436 /nfs/dbraw/zinc/28/64/36/556286436.db2.gz CRQHFPWTCBHGII-UHFFFAOYSA-N 0 0 482.653 6.871 40 0 JKABRN O=C(Cc1ccc(F)cc1)OCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000013095560 556288009 /nfs/dbraw/zinc/28/80/09/556288009.db2.gz MCHIGPVDIFZMFE-UWPKWEOGSA-N 0 0 482.555 5.735 40 0 JKABRN COc1ccc(N2C(=O)[C@H]3[C@@H](c4[nH]c5ccc(F)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]34)C2=O)cc1 ZINC000018157544 556295842 /nfs/dbraw/zinc/29/58/42/556295842.db2.gz YDHGTGZAIIQBKD-JYLDLCMYSA-N 0 0 474.576 6.148 40 0 JKABRN COc1cc(/C=C/C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC ZINC000027562934 556297077 /nfs/dbraw/zinc/29/70/77/556297077.db2.gz GFVBCYKKXKNYSK-RUDMXATFSA-N 0 0 475.364 5.250 40 0 JKABRN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)COc1c(C)ccc(C)c1C ZINC000027563310 556297103 /nfs/dbraw/zinc/29/71/03/556297103.db2.gz GVQVRQAAJAYHMZ-UHFFFAOYSA-N 0 0 476.573 5.679 40 0 JKABRN O=C1O[C@](c2ccccc2)([C@@]2(c3ccccc3)C=C(c3ccccc3)C(=O)O2)C=C1c1ccccc1 ZINC000018179632 556298972 /nfs/dbraw/zinc/29/89/72/556298972.db2.gz FUHYVYPVITWHSL-MEKGRNQZSA-N 0 0 470.524 6.058 40 0 JKABRN Clc1ccc(-c2nn(-c3ccccc3)cc2C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000027750650 556305607 /nfs/dbraw/zinc/30/56/07/556305607.db2.gz KQFUISFXAZOKFP-LJAQVGFWSA-N 0 0 474.995 7.548 40 0 JKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000027836266 556308835 /nfs/dbraw/zinc/30/88/35/556308835.db2.gz RXUNGNIGFFKTDH-UHFFFAOYSA-N 0 0 481.577 6.400 40 0 JKABRN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000027829328 556308892 /nfs/dbraw/zinc/30/88/92/556308892.db2.gz BLFPEJWPAOIXFL-UHFFFAOYSA-N 0 0 483.138 6.521 40 0 JKABRN O=C(COc1ccc2ccccc2c1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000027904554 556309510 /nfs/dbraw/zinc/30/95/10/556309510.db2.gz INOWFHDWHMKFGT-UHFFFAOYSA-N 0 0 464.855 6.597 40 0 JKABRN CCCCOc1ccc(-c2csc(NC(=O)c3ccccc3I)n2)cc1 ZINC000028048141 556313411 /nfs/dbraw/zinc/31/34/11/556313411.db2.gz RTBZJPIMDYLPJY-UHFFFAOYSA-N 0 0 478.355 5.846 40 0 JKABRN O=C(Oc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)[C@@H]3C[C@@H](c4ccccc4)CC[C@@H]3C2=O)c1 ZINC000018244602 556314806 /nfs/dbraw/zinc/31/48/06/556314806.db2.gz CSIIJKOWRCATDR-BULFRSBZSA-N 0 0 494.374 6.286 40 0 JKABRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(O)c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000028066354 556315607 /nfs/dbraw/zinc/31/56/07/556315607.db2.gz VNUOXKWLIPTHOT-DQEYMECFSA-N 0 0 498.608 5.182 40 0 JKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5nnc(SCc6ccccc6F)s5)(C4)C2)C3)cc1 ZINC000018258127 556317222 /nfs/dbraw/zinc/31/72/22/556317222.db2.gz OKHZTDFCPAEKDF-WANOEJIPSA-N 0 0 493.673 6.755 40 0 JKABRN C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206969 556317606 /nfs/dbraw/zinc/31/76/06/556317606.db2.gz NDXITPKMBPMQAB-HNNXBMFYSA-N 0 0 460.477 5.098 40 0 JKABRN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206959 556317633 /nfs/dbraw/zinc/31/76/33/556317633.db2.gz UJGUOXGBYUNZTP-AWEZNQCLSA-N 0 0 461.370 5.386 40 0 JKABRN C[C@H]1Cc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000028207167 556317908 /nfs/dbraw/zinc/31/79/08/556317908.db2.gz OIRHGGUNKHNGBI-NRFANRHFSA-N 0 0 482.605 5.346 40 0 JKABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c1 ZINC000028208271 556318534 /nfs/dbraw/zinc/31/85/34/556318534.db2.gz DCTPDFWGNNIUMV-UHFFFAOYSA-N 0 0 488.993 5.180 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000028208593 556318851 /nfs/dbraw/zinc/31/88/51/556318851.db2.gz WOLQDUKWECUAGH-UHFFFAOYSA-N 0 0 499.032 5.878 40 0 JKABRN c1ccc(CO[C@H](C[C@H](OCc2ccccc2)n2nnc3ccccc32)n2nnc3ccccc32)cc1 ZINC000018284381 556318964 /nfs/dbraw/zinc/31/89/64/556318964.db2.gz HOOUCNLRFIMCNX-ISILISOKSA-N 0 0 490.567 5.697 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc(Cl)c1 ZINC000028208724 556319146 /nfs/dbraw/zinc/31/91/46/556319146.db2.gz CGHTWJRVBFMHDO-UHFFFAOYSA-N 0 0 454.979 5.053 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc2ccccc21 ZINC000028208715 556319227 /nfs/dbraw/zinc/31/92/27/556319227.db2.gz AZIBZNIAKZYNMA-UHFFFAOYSA-N 0 0 470.594 5.553 40 0 JKABRN Cc1cccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)c1C ZINC000028209072 556319734 /nfs/dbraw/zinc/31/97/34/556319734.db2.gz QFPJQOSBDAGVJY-UHFFFAOYSA-N 0 0 468.575 5.735 40 0 JKABRN Cc1ccccc1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209065 556319751 /nfs/dbraw/zinc/31/97/51/556319751.db2.gz ZDKFIGWFBRUOKN-UHFFFAOYSA-N 0 0 454.548 5.426 40 0 JKABRN CCOc1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)cc1 ZINC000028209126 556320043 /nfs/dbraw/zinc/32/00/43/556320043.db2.gz PZYRTFFXTPSHFK-UHFFFAOYSA-N 0 0 484.574 5.517 40 0 JKABRN Cc1c(Cl)cccc1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209101 556320089 /nfs/dbraw/zinc/32/00/89/556320089.db2.gz OUMLHDBBUJASDF-UHFFFAOYSA-N 0 0 488.993 6.080 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209103 556320114 /nfs/dbraw/zinc/32/01/14/556320114.db2.gz YEDRENPOTGMSDY-UHFFFAOYSA-N 0 0 488.993 6.080 40 0 JKABRN CCCN(c1ccc2sc(C(=O)N[C@@H](C)c3ccccc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209243 556320124 /nfs/dbraw/zinc/32/01/24/556320124.db2.gz MBMIKWGQDDMXQX-FQEVSTJZSA-N 0 0 492.666 6.306 40 0 JKABRN CN(Cc1ccccc1)C(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209159 556320163 /nfs/dbraw/zinc/32/01/63/556320163.db2.gz PEQUDWZEIBPOIZ-UHFFFAOYSA-N 0 0 468.575 5.138 40 0 JKABRN CCCN(c1ccc2sc(C(=O)Nc3ccc(CC)cc3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209282 556320523 /nfs/dbraw/zinc/32/05/23/556320523.db2.gz IUQFJLDKPAMDPN-UHFFFAOYSA-N 0 0 492.666 6.630 40 0 JKABRN CCC[C@H](C)NC(=O)c1cc2cc(N(CCC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000028209358 556320808 /nfs/dbraw/zinc/32/08/08/556320808.db2.gz XYEUBKKLOLMZFW-SFHVURJKSA-N 0 0 458.649 5.733 40 0 JKABRN CN(CCCNC(=S)Nc1ccc(Cl)cc1Cl)C(=S)Nc1ccc(Cl)cc1Cl ZINC000019074940 556327615 /nfs/dbraw/zinc/32/76/15/556327615.db2.gz RRENNQDJYROQRU-UHFFFAOYSA-N 0 0 496.316 6.306 40 0 JKABRN Cc1cc(NC(=S)Nc2cccc(C(F)(F)F)c2)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000019074431 556327650 /nfs/dbraw/zinc/32/76/50/556327650.db2.gz JXYCBGIXAGGJLK-UHFFFAOYSA-N 0 0 489.906 6.277 40 0 JKABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)N[C@@H]2CCCc3ccccc32)C1)N[C@@H]1CCCc2ccccc21 ZINC000019075372 556327867 /nfs/dbraw/zinc/32/78/67/556327867.db2.gz UXJXXVYKGRSNLT-SHRQFBHGSA-N 0 0 488.676 5.546 40 0 JKABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2cccc3c2CCCC3)C1)Nc1cccc2c1CCCC2 ZINC000019075354 556327902 /nfs/dbraw/zinc/32/79/02/556327902.db2.gz ZVNRWRJELICBNW-FGZHOGPDSA-N 0 0 488.676 6.194 40 0 JKABRN C[C@@H]1CC[C@@H]2[C@@H](C1)c1sc(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)c1SC2(C)C ZINC000028295001 556329879 /nfs/dbraw/zinc/32/98/79/556329879.db2.gz WZIPZSCLAIYMFJ-MGPQQGTHSA-N 0 0 470.582 5.971 40 0 JKABRN Brc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000019117365 556331294 /nfs/dbraw/zinc/33/12/94/556331294.db2.gz IERRSVDKEIOZPT-HHHXNRCGSA-N 0 0 498.380 6.565 40 0 JKABRN Cc1cc(C)n(C[C@@H](C)Cn2c(C)c(C)c3cc(CN4C(=O)c5ccccc5C4=O)ccc32)n1 ZINC000028297148 556331588 /nfs/dbraw/zinc/33/15/88/556331588.db2.gz NLIIHBZZMGZYLD-KRWDZBQOSA-N 0 0 454.574 5.204 40 0 JKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000028373972 556332297 /nfs/dbraw/zinc/33/22/97/556332297.db2.gz DAUZGRNREPQOBM-UHFFFAOYSA-N 0 0 472.614 5.604 40 0 JKABRN Cc1ccc(C(=O)N[C@@H](N(Cc2ccccc2)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000019203574 556333803 /nfs/dbraw/zinc/33/38/03/556333803.db2.gz XPSHPMUMUDLNTA-QHCPKHFHSA-N 0 0 461.820 6.124 40 0 JKABRN CCN(CC)C(=S)S[C@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1 ZINC000019202399 556333993 /nfs/dbraw/zinc/33/39/93/556333993.db2.gz ZNYNAFPXZUUXLD-OALUTQOASA-N 0 0 450.423 5.494 40 0 JKABRN Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccccc4)c12)CC/C3=C\c1ccccc1 ZINC000019205284 556334164 /nfs/dbraw/zinc/33/41/64/556334164.db2.gz DHTJTTCNTCZTED-RELWKKBWSA-N 0 0 458.586 7.263 40 0 JKABRN O=C1C2[C@H](c3ccccc3)N3CN([C@H]2c2ccccc2)[C@H](c2ccccc2)C1[C@@H]3c1ccccc1 ZINC000019320019 556340885 /nfs/dbraw/zinc/34/08/85/556340885.db2.gz RCVDZIWSDINDPY-RWMYVIFDSA-N 0 0 456.589 6.355 40 0 JKABRN O=C1C2[C@H](c3ccccc3)N3CN([C@@H]2c2ccccc2)[C@H](c2ccccc2)C1[C@H]3c1ccccc1 ZINC000019318867 556340894 /nfs/dbraw/zinc/34/08/94/556340894.db2.gz RCVDZIWSDINDPY-MIIICYMXSA-N 0 0 456.589 6.355 40 0 JKABRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2ccccc2)c(OC)c1 ZINC000019326084 556341669 /nfs/dbraw/zinc/34/16/69/556341669.db2.gz QKZAQUDPOJYHEO-UHFFFAOYSA-N 0 0 462.590 5.128 40 0 JKABRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(NC(C)=O)cc2)cc1 ZINC000019326435 556341805 /nfs/dbraw/zinc/34/18/05/556341805.db2.gz FDTTVCFZIBLCLH-UHFFFAOYSA-N 0 0 459.590 5.069 40 0 JKABRN Clc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2cccnc2)Cc2ccccc2Cl)cc1 ZINC000019348720 556343309 /nfs/dbraw/zinc/34/33/09/556343309.db2.gz BYCJILXZCVQHRR-RUZDIDTESA-N 0 0 493.442 6.282 40 0 JKABRN Cc1ccc2oc(-c3cc(NC(=O)Cc4ccccc4)ccc3OC(=O)Cc3ccccc3)nc2c1 ZINC000019418454 556347849 /nfs/dbraw/zinc/34/78/49/556347849.db2.gz PZZZTVAAYUNSOK-UHFFFAOYSA-N 0 0 476.532 6.133 40 0 JKABRN CCN(CC)c1ccc(C2C(C(=O)OC(C)(C)C)=C(C)NC(C)=C2C(=O)OC(C)(C)C)cc1 ZINC000019418524 556347853 /nfs/dbraw/zinc/34/78/53/556347853.db2.gz DYTKTVNGCBSIHX-UHFFFAOYSA-N 0 0 456.627 5.451 40 0 JKABRN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[C@@H](C)COC ZINC000013135026 556365338 /nfs/dbraw/zinc/36/53/38/556365338.db2.gz PMVMRRUXMIMWPN-SQNIBIBYSA-N 0 0 453.608 5.237 40 0 JKABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Cl ZINC000030751153 556370890 /nfs/dbraw/zinc/37/08/90/556370890.db2.gz WSQGINAXRAWEPK-UHFFFAOYSA-N 0 0 451.331 5.410 40 0 JKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000030751663 556371167 /nfs/dbraw/zinc/37/11/67/556371167.db2.gz AFMJVRYUCPETGO-OAQYLSRUSA-N 0 0 458.967 5.245 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1Cl ZINC000030752043 556371477 /nfs/dbraw/zinc/37/14/77/556371477.db2.gz KNQNWIDBYLXVJX-HNNXBMFYSA-N 0 0 479.385 5.509 40 0 JKABRN Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)ccc1Br ZINC000030752227 556371521 /nfs/dbraw/zinc/37/15/21/556371521.db2.gz JYNLOCWDQKUFPT-UHFFFAOYSA-N 0 0 479.783 5.464 40 0 JKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000030754293 556372560 /nfs/dbraw/zinc/37/25/60/556372560.db2.gz XNJPHNFERLEYPL-QFIPXVFZSA-N 0 0 476.957 5.384 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c2ccccc2)cc1 ZINC000030756960 556373526 /nfs/dbraw/zinc/37/35/26/556373526.db2.gz ODIYTQCIJJMVRA-GDLZYMKVSA-N 0 0 498.648 6.240 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(Cl)c2)cc1 ZINC000030756831 556373593 /nfs/dbraw/zinc/37/35/93/556373593.db2.gz RBZRIOFZFHWSNL-UHFFFAOYSA-N 0 0 469.777 6.008 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000030757121 556373609 /nfs/dbraw/zinc/37/36/09/556373609.db2.gz DTXKNVJTHNMOHC-SANMLTNESA-N 0 0 497.060 5.096 40 0 JKABRN Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c2ccccc2)cc1 ZINC000030757691 556373829 /nfs/dbraw/zinc/37/38/29/556373829.db2.gz ZHXYFNJXTFULFI-GDLZYMKVSA-N 0 0 498.648 6.240 40 0 JKABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000030757902 556373836 /nfs/dbraw/zinc/37/38/36/556373836.db2.gz BVEFCPYYBRFZPJ-SANMLTNESA-N 0 0 465.018 5.429 40 0 JKABRN CCN(c1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000030758323 556373858 /nfs/dbraw/zinc/37/38/58/556373858.db2.gz AAKSFBOPWXBATO-AREMUKBSSA-N 0 0 496.698 6.141 40 0 JKABRN CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000030757562 556373892 /nfs/dbraw/zinc/37/38/92/556373892.db2.gz RTTJGTNTETYAOV-CJFMBICVSA-N 0 0 466.603 5.209 40 0 JKABRN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N(C)C2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000030758657 556374141 /nfs/dbraw/zinc/37/41/41/556374141.db2.gz ICONJGOEEUBSTG-UHFFFAOYSA-N 0 0 497.060 6.059 40 0 JKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000030758939 556374325 /nfs/dbraw/zinc/37/43/25/556374325.db2.gz MCIYFHHXHKCCLS-RUZDIDTESA-N 0 0 478.545 5.576 40 0 JKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030849310 556376757 /nfs/dbraw/zinc/37/67/57/556376757.db2.gz AHOXQBMKSKARTO-UHFFFAOYSA-N 0 0 463.352 5.594 40 0 JKABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000030850446 556377314 /nfs/dbraw/zinc/37/73/14/556377314.db2.gz LTTGAJYJTYKUCM-QFIPXVFZSA-N 0 0 480.630 5.083 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)c(Cl)c2)cc1 ZINC000030851559 556377540 /nfs/dbraw/zinc/37/75/40/556377540.db2.gz GPKIXRHJXVGBSC-HSZRJFAPSA-N 0 0 454.979 5.257 40 0 JKABRN CCSc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000030852706 556378162 /nfs/dbraw/zinc/37/81/62/556378162.db2.gz VPJKNYVDKUEXKY-OAQYLSRUSA-N 0 0 489.018 5.047 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2C)c(C)c1 ZINC000030852719 556378246 /nfs/dbraw/zinc/37/82/46/556378246.db2.gz UFUCCAMAVYMXEE-OAQYLSRUSA-N 0 0 450.604 5.521 40 0 JKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c(C)c1 ZINC000030853166 556378689 /nfs/dbraw/zinc/37/86/89/556378689.db2.gz BLPLEHFYJVVRSI-NRFANRHFSA-N 0 0 450.604 5.521 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(Cl)c2)cc1 ZINC000030853745 556379017 /nfs/dbraw/zinc/37/90/17/556379017.db2.gz SEZIKLONPAELKB-UHFFFAOYSA-N 0 0 459.011 5.148 40 0 JKABRN Cc1ccccc1[C@@H](NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)c1ccccc1 ZINC000030854339 556379311 /nfs/dbraw/zinc/37/93/11/556379311.db2.gz LJHDQGDJFMKCMN-NDEPHWFRSA-N 0 0 486.568 5.216 40 0 JKABRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000030854893 556379429 /nfs/dbraw/zinc/37/94/29/556379429.db2.gz QGGRPAWRJIIHRK-UHFFFAOYSA-N 0 0 467.613 5.954 40 0 JKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2C)c1 ZINC000030855697 556379783 /nfs/dbraw/zinc/37/97/83/556379783.db2.gz YGTFGPDSAVPMCS-DEOSSOPVSA-N 0 0 450.604 5.621 40 0 JKABRN CCOC(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Cl ZINC000030855351 556379871 /nfs/dbraw/zinc/37/98/71/556379871.db2.gz JAHQAYPJKGSEGR-VWLOTQADSA-N 0 0 495.000 5.543 40 0 JKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000030856455 556380149 /nfs/dbraw/zinc/38/01/49/556380149.db2.gz VHTSHCQQTRIWPS-CQSZACIVSA-N 0 0 465.358 5.200 40 0 JKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2Cl)cc1 ZINC000030857083 556380235 /nfs/dbraw/zinc/38/02/35/556380235.db2.gz IMYYHIYQPOBVDQ-QFIPXVFZSA-N 0 0 454.979 5.257 40 0 JKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000030861530 556381961 /nfs/dbraw/zinc/38/19/61/556381961.db2.gz INNDFAXUWSBCGF-NRFANRHFSA-N 0 0 497.375 5.729 40 0 JKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000030861595 556381986 /nfs/dbraw/zinc/38/19/86/556381986.db2.gz AXASHHYPCCQXCI-QHCPKHFHSA-N 0 0 452.576 5.209 40 0 JKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000030862050 556382108 /nfs/dbraw/zinc/38/21/08/556382108.db2.gz KIIOFLYVLSYNEE-AWEZNQCLSA-N 0 0 498.910 5.566 40 0 JKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000030862519 556382219 /nfs/dbraw/zinc/38/22/19/556382219.db2.gz SLQYCJUYESXELE-XMMPIXPASA-N 0 0 490.600 5.089 40 0 JKABRN Cc1ccccc1[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccccc1 ZINC000030862620 556382263 /nfs/dbraw/zinc/38/22/63/556382263.db2.gz STNAIHFICUCPLM-AREMUKBSSA-N 0 0 497.060 5.733 40 0 JKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000030865630 556383116 /nfs/dbraw/zinc/38/31/16/556383116.db2.gz YHTSJTGYWYJREU-HNNXBMFYSA-N 0 0 477.007 5.269 40 0 JKABRN CCc1cccc(CC)c1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000030864761 556383213 /nfs/dbraw/zinc/38/32/13/556383213.db2.gz FVZYIELHUPSIFZ-UHFFFAOYSA-N 0 0 456.995 5.826 40 0 JKABRN CC[C@@H](NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000030866677 556383472 /nfs/dbraw/zinc/38/34/72/556383472.db2.gz HPQWZGYNFYOQSF-RUZDIDTESA-N 0 0 450.604 5.151 40 0 JKABRN CC1(C)Cc2c(c(Nc3cccc(C(F)(F)F)c3)nn2-c2nc3ccccc3s2)C(=O)C1 ZINC000019817263 556383450 /nfs/dbraw/zinc/38/34/50/556383450.db2.gz WORSXDCAXSXEGE-UHFFFAOYSA-N 0 0 456.493 6.400 40 0 JKABRN C[C@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000030867803 556383719 /nfs/dbraw/zinc/38/37/19/556383719.db2.gz IBTXQLLGCVTESH-HNNXBMFYSA-N 0 0 481.376 5.205 40 0 JKABRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000030868169 556384068 /nfs/dbraw/zinc/38/40/68/556384068.db2.gz NLBNOARGWZHFTJ-UHFFFAOYSA-N 0 0 497.831 5.501 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000019818174 556385195 /nfs/dbraw/zinc/38/51/95/556385195.db2.gz HTBGANPASYLWHR-UIOOFZCWSA-N 0 0 491.632 5.623 40 0 JKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000030871796 556385488 /nfs/dbraw/zinc/38/54/88/556385488.db2.gz HSKHMZFWGBFYMN-QFIPXVFZSA-N 0 0 479.042 5.040 40 0 JKABRN Cc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000030872462 556385682 /nfs/dbraw/zinc/38/56/82/556385682.db2.gz VHGKZAJMHMVHCD-UHFFFAOYSA-N 0 0 456.995 5.120 40 0 JKABRN CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 ZINC000030873861 556386170 /nfs/dbraw/zinc/38/61/70/556386170.db2.gz VCHXNGKUAWRRAU-QFIPXVFZSA-N 0 0 463.043 5.422 40 0 JKABRN CC(=O)Nc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N(C)Cc3ccccc3)C[C@H]2C(C)C)cc1 ZINC000030880104 556386332 /nfs/dbraw/zinc/38/63/32/556386332.db2.gz DLXXLTNUQDNREI-NSVAZKTRSA-N 0 0 489.660 5.278 40 0 biogenic,in-vitro JKABRN CC1=C[C@@H](CNC(=O)Nc2cccc(F)c2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 ZINC000030881858 556386581 /nfs/dbraw/zinc/38/65/81/556386581.db2.gz VPVSPBNEAOBJBQ-HWBMXIPRSA-N 0 0 466.601 5.246 40 0 biogenic,in-vitro JKABRN O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030937892 556388341 /nfs/dbraw/zinc/38/83/41/556388341.db2.gz YDTCUPSZFFMRLF-LJQANCHMSA-N 0 0 471.453 6.995 40 0 JKABRN O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030937907 556388362 /nfs/dbraw/zinc/38/83/62/556388362.db2.gz DLJXPPOQFRUZSS-SFHVURJKSA-N 0 0 471.453 6.995 40 0 JKABRN O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cl)c(Cl)c1)CN(Cc1ccccc1)CC3 ZINC000019819723 556388400 /nfs/dbraw/zinc/38/84/00/556388400.db2.gz YOWMZIIUDIXUNJ-UHFFFAOYSA-N 0 0 474.438 5.975 40 0 JKABRN Cc1ccc(-n2c(=O)c3c([nH]c2=S)sc2c3CCN(Cc3ccccc3)C2)cc1Cl ZINC000019819721 556388440 /nfs/dbraw/zinc/38/84/40/556388440.db2.gz QOGCUJDLQODEJZ-UHFFFAOYSA-N 0 0 454.020 5.630 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000019820176 556389140 /nfs/dbraw/zinc/38/91/40/556389140.db2.gz PJFNTLTUKKSKGS-XZOQPEGZSA-N 0 0 459.933 5.005 40 0 JKABRN CCCOc1ccc([C@@H]2[C@@H](C(=O)OCC)C(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019820238 556389154 /nfs/dbraw/zinc/38/91/54/556389154.db2.gz VLCIPUDJIONMFA-CLJLJLNGSA-N 0 0 483.568 5.141 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019820323 556389339 /nfs/dbraw/zinc/38/93/39/556389339.db2.gz TZHRKIIIMVSSIS-PKTZIBPZSA-N 0 0 494.378 5.659 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1Cl ZINC000019820266 556389457 /nfs/dbraw/zinc/38/94/57/556389457.db2.gz UASUVGQBYNBUAV-PKTZIBPZSA-N 0 0 459.933 5.005 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000019820406 556389644 /nfs/dbraw/zinc/38/96/44/556389644.db2.gz DZFYRTRXPZCHED-DNQXCXABSA-N 0 0 473.960 5.314 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000019820410 556389717 /nfs/dbraw/zinc/38/97/17/556389717.db2.gz DZFYRTRXPZCHED-RPWUZVMVSA-N 0 0 473.960 5.314 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000019820469 556389981 /nfs/dbraw/zinc/38/99/81/556389981.db2.gz HLTKOPOHYIPMBU-ZEQRLZLVSA-N 0 0 473.960 5.048 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 ZINC000019820595 556390224 /nfs/dbraw/zinc/39/02/24/556390224.db2.gz NRQHXPBDGBSLRD-RPWUZVMVSA-N 0 0 473.960 5.048 40 0 JKABRN CCCOc1ccc([C@H]2[C@@H](C(=O)OCC)C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019820650 556390293 /nfs/dbraw/zinc/39/02/93/556390293.db2.gz BYKAKBIGWDLDLN-SXOMAYOGSA-N 0 0 497.595 5.183 40 0 JKABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 ZINC000019820827 556390743 /nfs/dbraw/zinc/39/07/43/556390743.db2.gz KFPCLXDEOWEDLG-LOSJGSFVSA-N 0 0 485.609 5.382 40 0 JKABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 ZINC000019820825 556390804 /nfs/dbraw/zinc/39/08/04/556390804.db2.gz KFPCLXDEOWEDLG-JWQCQUIFSA-N 0 0 485.609 5.382 40 0 JKABRN Cc1cc(-c2ccc(NC(=O)/C=C\c3ccccc3)c(C)c2)ccc1NC(=O)/C=C\c1ccccc1 ZINC000031768889 556402925 /nfs/dbraw/zinc/40/29/25/556402925.db2.gz GBHWHWOJKCQCEM-AXPXABNXSA-N 0 0 472.588 7.274 40 0 JKABRN O=C1CC2(c3ccccc3-c3ccccc32)C(=O)N1CN(Cc1ccccc1)Cc1ccccc1 ZINC000031761735 556403003 /nfs/dbraw/zinc/40/30/03/556403003.db2.gz AGNYCGPAUQLPTR-UHFFFAOYSA-N 0 0 458.561 5.372 40 0 JKABRN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2Cl)CC1=O ZINC000031903488 556409597 /nfs/dbraw/zinc/40/95/97/556409597.db2.gz FRTUCNCZUCHKDF-IBGZPJMESA-N 0 0 475.976 5.688 40 0 JKABRN Fc1cccc(Cl)c1Cn1c2ccccc2nc1[C@H](Oc1c(F)cccc1Cl)c1ccccc1 ZINC000031903310 556409646 /nfs/dbraw/zinc/40/96/46/556409646.db2.gz UBWKSIFINSUQST-RUZDIDTESA-N 0 0 495.356 7.838 40 0 JKABRN Fc1cccc(Cl)c1Cn1c2ccccc2nc1[C@@H](Oc1c(F)cccc1Cl)c1ccccc1 ZINC000031903309 556409675 /nfs/dbraw/zinc/40/96/75/556409675.db2.gz UBWKSIFINSUQST-VWLOTQADSA-N 0 0 495.356 7.838 40 0 JKABRN CCc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 ZINC000031903495 556409898 /nfs/dbraw/zinc/40/98/98/556409898.db2.gz NBJJXISNYYZPMK-JOCHJYFZSA-N 0 0 469.585 5.597 40 0 JKABRN COc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000031903662 556410824 /nfs/dbraw/zinc/41/08/24/556410824.db2.gz HACBKVPRGCDVOZ-IBGZPJMESA-N 0 0 475.976 5.688 40 0 JKABRN COc1ccccc1OCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000031903645 556410857 /nfs/dbraw/zinc/41/08/57/556410857.db2.gz BLLCYGKACCKUER-JOCHJYFZSA-N 0 0 469.585 5.733 40 0 JKABRN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000032022982 556412901 /nfs/dbraw/zinc/41/29/01/556412901.db2.gz YCBSMEKEDOHEQI-PBHOCJRSSA-N 0 0 470.738 7.178 40 0 biogenic,in-vitro JKABRN CC(C)(C)[C@@]1(O)C=C(C(F)(F)F)NN1C(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000032100853 556416465 /nfs/dbraw/zinc/41/64/65/556416465.db2.gz QNRKLPFMNZWAPE-DEOSSOPVSA-N 0 0 462.512 5.277 40 0 JKABRN CCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032100717 556416476 /nfs/dbraw/zinc/41/64/76/556416476.db2.gz VRQOYENHWQCOOL-DEOSSOPVSA-N 0 0 462.512 5.421 40 0 JKABRN CC(C)CC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032100772 556416509 /nfs/dbraw/zinc/41/65/09/556416509.db2.gz ABVDHKPHIYILKL-DEOSSOPVSA-N 0 0 462.512 5.277 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F ZINC000032101234 556416652 /nfs/dbraw/zinc/41/66/52/556416652.db2.gz YZYMLSFDAIPZHM-MLCYQJTMSA-N 0 0 481.685 5.302 40 0 JKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000032101243 556416659 /nfs/dbraw/zinc/41/66/59/556416659.db2.gz YZYMLSFDAIPZHM-YPMLDQLKSA-N 0 0 481.685 5.302 40 0 JKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000032101240 556416764 /nfs/dbraw/zinc/41/67/64/556416764.db2.gz YZYMLSFDAIPZHM-MGNBDDOMSA-N 0 0 481.685 5.302 40 0 JKABRN CC(C)(C)c1ccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@@]2(O)C(F)(F)F)cc1 ZINC000032101424 556417029 /nfs/dbraw/zinc/41/70/29/556417029.db2.gz JMUUXDMIIOCXFC-HXUWFJFHSA-N 0 0 469.301 5.248 40 0 JKABRN COc1cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)ccc1OCc1ccccc1 ZINC000032106994 556418254 /nfs/dbraw/zinc/41/82/54/556418254.db2.gz QTYNHASZVHHGSK-UHFFFAOYSA-N 0 0 458.539 5.840 40 0 JKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OCc5ccccc5)cc4)c3)nc2c1 ZINC000032109332 556418743 /nfs/dbraw/zinc/41/87/43/556418743.db2.gz ACCUJHGYHOBDHF-UHFFFAOYSA-N 0 0 468.940 7.288 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4C)ccc3o2)cc1Br ZINC000032109307 556418771 /nfs/dbraw/zinc/41/87/71/556418771.db2.gz YPORMEXSCVFVOG-UHFFFAOYSA-N 0 0 496.386 5.701 40 0 JKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(Br)o4)c3)nc2c1 ZINC000032109346 556419072 /nfs/dbraw/zinc/41/90/72/556419072.db2.gz MAZMDBBEADGJCM-UHFFFAOYSA-N 0 0 490.766 5.939 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1 ZINC000032109340 556419087 /nfs/dbraw/zinc/41/90/87/556419087.db2.gz NARRLSJEQPZAHL-UHFFFAOYSA-N 0 0 465.962 5.982 40 0 JKABRN O=C(Nc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000032109876 556420154 /nfs/dbraw/zinc/42/01/54/556420154.db2.gz OUBRSVLTRWJGIS-UHFFFAOYSA-N 0 0 480.652 8.287 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C1N(Cc2ccccc2)CCCCN1Cc1ccccc1 ZINC000032109890 556420173 /nfs/dbraw/zinc/42/01/73/556420173.db2.gz OTXOAHALYHCNIO-UHFFFAOYSA-N 0 0 455.429 6.799 40 0 JKABRN Cc1ccc2ccccc2c1C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1 ZINC000032109941 556420195 /nfs/dbraw/zinc/42/01/95/556420195.db2.gz RJJHYVYLLJQDGU-UHFFFAOYSA-N 0 0 461.436 7.472 40 0 JKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000032112034 556420782 /nfs/dbraw/zinc/42/07/82/556420782.db2.gz QXBLQASWZPVUSY-UHFFFAOYSA-N 0 0 469.324 6.561 40 0 JKABRN Cc1cc(NC(=O)c2cccc3c(Br)cccc23)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032112021 556420791 /nfs/dbraw/zinc/42/07/91/556420791.db2.gz KCFXCDMAGXHZJZ-UHFFFAOYSA-N 0 0 499.364 7.162 40 0 JKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000032111999 556420827 /nfs/dbraw/zinc/42/08/27/556420827.db2.gz DJKKTYVEAYSSNI-UHFFFAOYSA-N 0 0 470.161 5.067 40 0 JKABRN O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000032111843 556420855 /nfs/dbraw/zinc/42/08/55/556420855.db2.gz GOOWBCMGUXTVQZ-UHFFFAOYSA-N 0 0 470.044 6.222 40 0 JKABRN Cc1cc(NC(=O)COc2cccc3ccccc32)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114521 556421060 /nfs/dbraw/zinc/42/10/60/556421060.db2.gz WKNFIZLDMPBWHI-UHFFFAOYSA-N 0 0 450.494 6.164 40 0 JKABRN Cc1cc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc(C)c1Cl ZINC000032114627 556421265 /nfs/dbraw/zinc/42/12/65/556421265.db2.gz AFJMJIKSYXPSIO-UHFFFAOYSA-N 0 0 491.374 7.589 40 0 JKABRN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccc(Cl)c1Cl ZINC000032114556 556421367 /nfs/dbraw/zinc/42/13/67/556421367.db2.gz DCRHNUVUNBRANF-UHFFFAOYSA-N 0 0 467.739 7.861 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1C ZINC000032114569 556421388 /nfs/dbraw/zinc/42/13/88/556421388.db2.gz AZKSHRDCEDOPMK-UHFFFAOYSA-N 0 0 457.555 5.737 40 0 JKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 ZINC000032114644 556421401 /nfs/dbraw/zinc/42/14/01/556421401.db2.gz VQSRYGHAUOSGNJ-QGZVFWFLSA-N 0 0 470.956 7.731 40 0 JKABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000032114996 556421850 /nfs/dbraw/zinc/42/18/50/556421850.db2.gz KFWFSDIMGFVPJV-UHFFFAOYSA-N 0 0 473.554 5.519 40 0 JKABRN Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000032114998 556421858 /nfs/dbraw/zinc/42/18/58/556421858.db2.gz JGPJQHDVKPSYHI-UHFFFAOYSA-N 0 0 487.581 5.502 40 0 JKABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000032115031 556421863 /nfs/dbraw/zinc/42/18/63/556421863.db2.gz JLGSRZTYSRTCNN-UHFFFAOYSA-N 0 0 459.527 5.129 40 0 JKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032115228 556422131 /nfs/dbraw/zinc/42/21/31/556422131.db2.gz RXGSSEWNKCTBIZ-NTEUORMPSA-N 0 0 459.332 7.607 40 0 JKABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2cc(C)ccc2C(C)C)cc1OC ZINC000032115365 556422410 /nfs/dbraw/zinc/42/24/10/556422410.db2.gz PUMKQCKSVHQZNE-UHFFFAOYSA-N 0 0 471.623 5.148 40 0 JKABRN Cc1cc(NC(=S)NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115542 556422666 /nfs/dbraw/zinc/42/26/66/556422666.db2.gz QZARWUSMDBNKFX-UHFFFAOYSA-N 0 0 493.972 5.539 40 0 JKABRN CCc1ccc(OCC(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000032115392 556422667 /nfs/dbraw/zinc/42/26/67/556422667.db2.gz 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569678989 /nfs/dbraw/zinc/67/89/89/569678989.db2.gz RWOCRBMIGNDJOA-UHFFFAOYSA-N 0 0 484.364 5.229 40 0 JKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035269878 569679163 /nfs/dbraw/zinc/67/91/63/569679163.db2.gz NLHORLLPKGLNJX-UHFFFAOYSA-N 0 0 451.979 5.843 40 0 JKABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035269882 569679171 /nfs/dbraw/zinc/67/91/71/569679171.db2.gz HGMUODUGCXTONA-UHFFFAOYSA-N 0 0 466.006 6.017 40 0 JKABRN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1cccc(Br)c1 ZINC000035270373 569679213 /nfs/dbraw/zinc/67/92/13/569679213.db2.gz OACMAMKDVRSHJV-UHFFFAOYSA-N 0 0 488.794 5.482 40 0 JKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(Cl)c1 ZINC000035271050 569679326 /nfs/dbraw/zinc/67/93/26/569679326.db2.gz WGZXKYMWPNFAPV-UHFFFAOYSA-N 0 0 458.370 5.681 40 0 JKABRN COc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1Br ZINC000035271084 569679345 /nfs/dbraw/zinc/67/93/45/569679345.db2.gz UKRASKWDCXJOEC-UHFFFAOYSA-N 0 0 485.721 5.164 40 0 JKABRN Cc1ccc2cc3cc(C(=O)O[C@@H](C(=O)NC4CCCC4)c4ccccc4F)sc3nc2c1 ZINC000035288789 569679540 /nfs/dbraw/zinc/67/95/40/569679540.db2.gz VUMWEOPQXWAGGZ-HSZRJFAPSA-N 0 0 462.546 5.854 40 0 JKABRN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 ZINC000035288781 569679568 /nfs/dbraw/zinc/67/95/68/569679568.db2.gz XKAAAKVSUCJEJW-UHFFFAOYSA-N 0 0 498.023 5.021 40 0 JKABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000035288652 569679581 /nfs/dbraw/zinc/67/95/81/569679581.db2.gz LLGTYVCFPCNDDS-UHFFFAOYSA-N 0 0 478.647 5.381 40 0 JKABRN CCOc1c(Br)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1 ZINC000035303839 569679797 /nfs/dbraw/zinc/67/97/97/569679797.db2.gz QLHSUYMFLHGBAQ-UHFFFAOYSA-N 0 0 495.200 6.986 40 0 JKABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)c1ccc(F)cc1 ZINC000035311662 569680220 /nfs/dbraw/zinc/68/02/20/569680220.db2.gz VCIOJSGLBCUFHG-UHFFFAOYSA-N 0 0 453.568 5.148 40 0 JKABRN COc1ccccc1N(C(=O)c1ccc(O)cc1)[C@H](C(=O)NC1CCCC1)c1ccc2ncccc2c1 ZINC000035315992 569680557 /nfs/dbraw/zinc/68/05/57/569680557.db2.gz OBHWQUCBFWLRGX-NDEPHWFRSA-N 0 0 495.579 5.396 40 0 JKABRN S=C(c1ccccc1OCc1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000035329836 569680894 /nfs/dbraw/zinc/68/08/94/569680894.db2.gz YKODHKYQPDGYSV-UHFFFAOYSA-N 0 0 481.459 5.521 40 0 JKABRN CCOc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1OCc1ccccc1F ZINC000035331058 569680939 /nfs/dbraw/zinc/68/09/39/569680939.db2.gz RHCZSBKHLMNUBN-UHFFFAOYSA-N 0 0 499.051 5.950 40 0 JKABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2Cl)cc1Cl ZINC000035352651 569681743 /nfs/dbraw/zinc/68/17/43/569681743.db2.gz SVHNHOQAGJDLAM-MRXNPFEDSA-N 0 0 493.412 5.359 40 0 JKABRN O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)Nc1ccccc1F ZINC000035352260 569681790 /nfs/dbraw/zinc/68/17/90/569681790.db2.gz AKXBLXQGDYMLGH-UHFFFAOYSA-N 0 0 456.326 5.258 40 0 JKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000035352168 569681811 /nfs/dbraw/zinc/68/18/11/569681811.db2.gz GFVALXUGKSJUAZ-VWLOTQADSA-N 0 0 491.613 5.397 40 0 JKABRN COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]13c4c(OC)ccc(OC)c4[C@@H](C[C@H]21)[C@H](C(C)C)[C@H]3O ZINC000035361511 569682183 /nfs/dbraw/zinc/68/21/83/569682183.db2.gz DLBTTXKMLBYQCR-VAAIVFMOSA-N 0 0 470.650 5.471 40 0 JKABRN CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c2ccccc21 ZINC000035362255 569682252 /nfs/dbraw/zinc/68/22/52/569682252.db2.gz LTYVYOZUPLGVTH-AWQFTUOYSA-N 0 0 455.486 5.175 40 0 JKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000035362221 569682268 /nfs/dbraw/zinc/68/22/68/569682268.db2.gz QNNRVJQKDSFFJE-GFCCVEGCSA-N 0 0 469.825 6.042 40 0 JKABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 ZINC000035374884 569684441 /nfs/dbraw/zinc/68/44/41/569684441.db2.gz GIACSLWNGWQAMM-UHFFFAOYSA-N 0 0 486.204 5.004 40 0 JKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5cc(Cl)ccc5Cl)nc4c3)o2)cc1C ZINC000035387212 569686903 /nfs/dbraw/zinc/68/69/03/569686903.db2.gz KISPFYICBGANNQ-UHFFFAOYSA-N 0 0 477.347 7.931 40 0 JKABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000035386821 569686908 /nfs/dbraw/zinc/68/69/08/569686908.db2.gz CTVDCSBRKGRVDZ-UHFFFAOYSA-N 0 0 466.603 5.247 40 0 JKABRN COc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2-c2ccc(C)cc2)cc1 ZINC000035386430 569686953 /nfs/dbraw/zinc/68/69/53/569686953.db2.gz JRNYWELMKTYPAI-UHFFFAOYSA-N 0 0 488.613 5.511 40 0 JKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000035395399 569687232 /nfs/dbraw/zinc/68/72/32/569687232.db2.gz QQNSNRABDAJNMH-UHFFFAOYSA-N 0 0 489.081 5.463 40 0 JKABRN C=CCOc1c(Br)cc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OCC ZINC000035395021 569687237 /nfs/dbraw/zinc/68/72/37/569687237.db2.gz PWOIGUWKFVKEFN-SFHVURJKSA-N 0 0 479.396 5.180 40 0 JKABRN CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000035394838 569687274 /nfs/dbraw/zinc/68/72/74/569687274.db2.gz WXVBPRMUXYUVNA-UHFFFAOYSA-N 0 0 466.415 6.074 40 0 JKABRN CCCCC/C=C\C/C=C\C[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O ZINC000067665163 569688998 /nfs/dbraw/zinc/68/89/98/569688998.db2.gz OQMAKWGYQLJJIA-CUOOPAIESA-N 0 0 491.713 6.434 40 0 in-vitro JKABRN C[C@@H](COC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000068605500 569691453 /nfs/dbraw/zinc/69/14/53/569691453.db2.gz LGFXUQRYSFMSGQ-SFTDATJTSA-N 0 0 456.532 7.749 40 0 JKABRN C[C@H](COC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000068605504 569691476 /nfs/dbraw/zinc/69/14/76/569691476.db2.gz LGFXUQRYSFMSGQ-RTWAWAEBSA-N 0 0 456.532 7.749 40 0 JKABRN Clc1ccc(-c2csc(N3N=C(c4cnccn4)C[C@@H]3c3ccc4c(c3)OCO4)n2)cc1 ZINC000068603579 569691533 /nfs/dbraw/zinc/69/15/33/569691533.db2.gz TYSNMHXYIKIHEO-HXUWFJFHSA-N 0 0 461.934 5.338 40 0 JKABRN COc1cccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2-c2ccc(C)cc2)c1 ZINC000035419670 569692265 /nfs/dbraw/zinc/69/22/65/569692265.db2.gz DHVPCQOWSUQNLC-UHFFFAOYSA-N 0 0 488.613 5.511 40 0 JKABRN Nc1c(Br)cc2nc(-c3ccc(I)cc3)oc2c1Br ZINC000070461356 569695243 /nfs/dbraw/zinc/69/52/43/569695243.db2.gz SHINHEZSTGHCJW-UHFFFAOYSA-N 0 0 493.924 5.207 40 0 JKABRN COc1cc2c3c(C)nn(Cc4ccccc4)c3nc(-c3ccc(Br)cc3)c2cc1OC ZINC000070503660 569695396 /nfs/dbraw/zinc/69/53/96/569695396.db2.gz HKSFEFHFEVPTBQ-UHFFFAOYSA-N 0 0 488.385 6.388 40 0 JKABRN CC(=O)N1C[C@H](C)CC[C@]12O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000070691633 569695681 /nfs/dbraw/zinc/69/56/81/569695681.db2.gz JXAZKNVJWYDQJY-MSEMPZPQSA-N 0 0 455.683 5.546 40 0 biogenic JKABRN CC(=O)N1C[C@H](C)CC[C@]12O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000070691634 569695684 /nfs/dbraw/zinc/69/56/84/569695684.db2.gz JXAZKNVJWYDQJY-HNQADATPSA-N 0 0 455.683 5.546 40 0 biogenic JKABRN O=C1NC(=O)C(c2c[nH]c3ccc(Cc4ccccc4)cc23)=C1c1c[nH]c2cc(Cl)ccc12 ZINC000071257738 569696018 /nfs/dbraw/zinc/69/60/18/569696018.db2.gz MAMPOXQDZAKDSM-UHFFFAOYSA-N 0 0 451.913 5.461 40 0 JKABRN ClC1=CC2[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C1[C@@H]1C3c4ccccc4C(c4ccccc43)[C@H]21 ZINC000071782670 569698078 /nfs/dbraw/zinc/69/80/78/569698078.db2.gz KAXAVPHOMPMETI-DXCQJSSASA-N 0 0 495.065 8.416 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072214988 569700162 /nfs/dbraw/zinc/70/01/62/569700162.db2.gz UTYZCVBLBSBGPR-JOCHJYFZSA-N 0 0 473.639 5.457 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072215107 569700181 /nfs/dbraw/zinc/70/01/81/569700181.db2.gz WLYSYNQHLRVSOP-KNQAVFIVSA-N 0 0 453.583 6.095 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072214987 569700214 /nfs/dbraw/zinc/70/02/14/569700214.db2.gz UTYZCVBLBSBGPR-QFIPXVFZSA-N 0 0 473.639 5.457 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215077 569700241 /nfs/dbraw/zinc/70/02/41/569700241.db2.gz JQDXHMMNHXGDDW-HSZRJFAPSA-N 0 0 487.666 5.848 40 0 JKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072215068 569700243 /nfs/dbraw/zinc/70/02/43/569700243.db2.gz RCFDCCKQCSFUJQ-QHCPKHFHSA-N 0 0 467.610 6.487 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N(C(=O)OC(C)(C)C)C2CCC2)cc1 ZINC000072215540 569700262 /nfs/dbraw/zinc/70/02/62/569700262.db2.gz CICLYRMCLZADOA-HSZRJFAPSA-N 0 0 485.650 5.600 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1)C1CCC1 ZINC000072215533 569700266 /nfs/dbraw/zinc/70/02/66/569700266.db2.gz OBWIMJGKKZQOMZ-HSZRJFAPSA-N 0 0 465.594 6.239 40 0 JKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072215281 569700277 /nfs/dbraw/zinc/70/02/77/569700277.db2.gz SEKWYZCTOVIYQE-OFNKIYASSA-N 0 0 467.610 6.485 40 0 JKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CCC3)nc2)cc1 ZINC000072215452 569700300 /nfs/dbraw/zinc/70/03/00/569700300.db2.gz MWJJDRHMLFWZIL-QFIPXVFZSA-N 0 0 471.623 5.210 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1)C1CCCC1 ZINC000072215558 569700322 /nfs/dbraw/zinc/70/03/22/569700322.db2.gz PFTJCIHHZQJTCH-HSZRJFAPSA-N 0 0 465.594 6.239 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CCC1 ZINC000072215497 569700323 /nfs/dbraw/zinc/70/03/23/569700323.db2.gz ZOXQZISMXTWVJL-QFIPXVFZSA-N 0 0 451.567 5.849 40 0 JKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072215246 569700335 /nfs/dbraw/zinc/70/03/35/569700335.db2.gz FRJUESRAUMFYPI-SIKLNZKXSA-N 0 0 473.639 5.456 40 0 JKABRN CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215846 569700361 /nfs/dbraw/zinc/70/03/61/569700361.db2.gz CKDSRURHPIOYAF-UHFFFAOYSA-N 0 0 455.555 5.642 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1)C1CCCCC1 ZINC000072215738 569700379 /nfs/dbraw/zinc/70/03/79/569700379.db2.gz LZFGROUXESFVFF-XMMPIXPASA-N 0 0 479.621 6.630 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CCCCC1 ZINC000072215737 569700390 /nfs/dbraw/zinc/70/03/90/569700390.db2.gz LZFGROUXESFVFF-DEOSSOPVSA-N 0 0 479.621 6.630 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1)C1CCCCC1 ZINC000072215677 569700406 /nfs/dbraw/zinc/70/04/06/569700406.db2.gz OSAFVIDPCUGXGJ-DEOSSOPVSA-N 0 0 479.621 6.630 40 0 JKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1)C1CCCCC1 ZINC000072215712 569700432 /nfs/dbraw/zinc/70/04/32/569700432.db2.gz RLLUZDAAYFSLNB-VWLOTQADSA-N 0 0 493.648 7.020 40 0 JKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1)C1CCCCC1 ZINC000072215773 569700439 /nfs/dbraw/zinc/70/04/39/569700439.db2.gz XRYHMBVZBNXXEY-RUZDIDTESA-N 0 0 493.648 7.020 40 0 JKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccccc4Br)c(C)c3s2)n1 ZINC000072228598 569700523 /nfs/dbraw/zinc/70/05/23/569700523.db2.gz KXIKEBILFOZYMS-UHFFFAOYSA-N 0 0 455.381 5.730 40 0 JKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4Cl)c(C)c3s2)n1 ZINC000072228833 569700562 /nfs/dbraw/zinc/70/05/62/569700562.db2.gz NPUCSTVAGMWHOP-UHFFFAOYSA-N 0 0 475.401 6.040 40 0 JKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)c(C)c3s2)n1 ZINC000072228876 569700605 /nfs/dbraw/zinc/70/06/05/569700605.db2.gz MJDUMBKOKOQYFH-HNNXBMFYSA-N 0 0 489.428 6.428 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc(I)c1 ZINC000072229863 569700622 /nfs/dbraw/zinc/70/06/22/569700622.db2.gz QCOHYUQHZHJDEY-IBGZPJMESA-N 0 0 463.702 5.279 40 0 JKABRN COc1c(Br)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072229986 569700715 /nfs/dbraw/zinc/70/07/15/569700715.db2.gz VYSSXWMNOOMBML-IBGZPJMESA-N 0 0 481.173 6.099 40 0 JKABRN CCOc1cc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc(OCC)c1OCC ZINC000072230019 569700749 /nfs/dbraw/zinc/70/07/49/569700749.db2.gz XRPFBKKRSBLBBS-XMMPIXPASA-N 0 0 469.965 5.870 40 0 JKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccccc2Br)o1 ZINC000072229932 569700767 /nfs/dbraw/zinc/70/07/67/569700767.db2.gz GEZJEHQSWUJJEO-HSZRJFAPSA-N 0 0 482.761 6.697 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GHYMXFZWDIQGEM-UHFFFAOYSA-N 0 0 467.429 5.004 40 0 JKABRN CCCCCCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 ZINC000039427750 569809843 /nfs/dbraw/zinc/80/98/43/569809843.db2.gz RVHBALQMERKWHH-VWLOTQADSA-N 0 0 459.594 5.782 40 0 JKABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(OCc3cccc4ccccc43)c2)n2ncnc2N1 ZINC000039427733 569809861 /nfs/dbraw/zinc/80/98/61/569809861.db2.gz BUSURJJQJNIUTA-MUUNZHRXSA-N 0 0 487.563 5.938 40 0 JKABRN CCCCCCOc1ccccc1[C@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2ncnn21 ZINC000039427817 569809926 /nfs/dbraw/zinc/80/99/26/569809926.db2.gz ZQCWCLNKCFLNQZ-QHCPKHFHSA-N 0 0 465.985 5.818 40 0 JKABRN CCCCCCOc1ccc([C@H]2C(C(=O)Nc3cc(OC)ccc3OC)=C(C)Nc3ncnn32)cc1 ZINC000039427758 569809934 /nfs/dbraw/zinc/80/99/34/569809934.db2.gz HXRHRNDGKOAZIW-VWLOTQADSA-N 0 0 491.592 5.182 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H](O)c1ccccc1 ZINC000102134318 569810097 /nfs/dbraw/zinc/81/00/97/569810097.db2.gz DQRWNVQUCUAZIB-UBFNBQFUSA-N 0 0 464.627 7.825 40 0 JKABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)c1 ZINC000039556261 569810249 /nfs/dbraw/zinc/81/02/49/569810249.db2.gz QXROWICEUFIFNL-ZVHZXABRSA-N 0 0 498.970 5.183 40 0 JKABRN O=C1N/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1C1CCCCC1 ZINC000039556210 569810254 /nfs/dbraw/zinc/81/02/54/569810254.db2.gz KLWWBMVVYUOYSC-XKZIYDEJSA-N 0 0 468.384 6.222 40 0 JKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2C(=O)[C@@H]3C[C@@H](c4ccccc4)CC[C@@H]3C2=O)cc1 ZINC000102159627 569810320 /nfs/dbraw/zinc/81/03/20/569810320.db2.gz SUGPTCPIEDWDQW-SESVDKBCSA-N 0 0 493.390 6.319 40 0 JKABRN CCc1cccc2c(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)cn(Cc3ccccc3F)c21 ZINC000039556311 569810336 /nfs/dbraw/zinc/81/03/36/569810336.db2.gz RFOJHTAPQHZSAL-XYGWBWBKSA-N 0 0 469.585 5.996 40 0 JKABRN CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)NC1=S ZINC000039556359 569810352 /nfs/dbraw/zinc/81/03/52/569810352.db2.gz DGLYEVKMEFMFPY-FMQZQXMHSA-N 0 0 495.229 5.446 40 0 JKABRN CCc1cccc2c(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=S)N3C)cn(Cc3ccccc3F)c21 ZINC000039556365 569810358 /nfs/dbraw/zinc/81/03/58/569810358.db2.gz ZBAUNPCMEBBWSH-YUMHPJSZSA-N 0 0 497.639 6.612 40 0 JKABRN CCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)N(C)C1=S ZINC000039556438 569810468 /nfs/dbraw/zinc/81/04/68/569810468.db2.gz SADNIZLKSUHKJS-JMIUGGIZSA-N 0 0 472.383 5.011 40 0 JKABRN CCOc1ccc(N2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)N(C)C2=S)cc1 ZINC000039556484 569810499 /nfs/dbraw/zinc/81/04/99/569810499.db2.gz UXGQYCWYKSAMLX-DIBXZPPDSA-N 0 0 497.620 5.723 40 0 JKABRN CCc1cccc2c(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)cn(Cc3ccccc3)c21 ZINC000039556696 569810756 /nfs/dbraw/zinc/81/07/56/569810756.db2.gz RHLAMPONAGYZDQ-UQQQWYQISA-N 0 0 451.595 5.856 40 0 JKABRN Cc1cccc(NC(=O)Cn2cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1 ZINC000039556848 569810826 /nfs/dbraw/zinc/81/08/26/569810826.db2.gz QYBOEEGJMBISAB-OEAKJJBVSA-N 0 0 484.943 5.339 40 0 JKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(C)C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000039650681 569811014 /nfs/dbraw/zinc/81/10/14/569811014.db2.gz OARSBVJBXGMAEH-YOJQYFTNSA-N 0 0 470.782 8.676 40 0 JKABRN O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1cc(Br)ccc1Cl ZINC000039723910 569811094 /nfs/dbraw/zinc/81/10/94/569811094.db2.gz CAEUOYIJQUBEQW-UHFFFAOYSA-N 0 0 475.220 6.152 40 0 JKABRN CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)cc1OCC ZINC000039724027 569811104 /nfs/dbraw/zinc/81/11/04/569811104.db2.gz SXCJNFWDYXUHMD-UHFFFAOYSA-N 0 0 494.436 5.643 40 0 JKABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3cc4ccccc4o3)s2)cc1 ZINC000039742901 569811135 /nfs/dbraw/zinc/81/11/35/569811135.db2.gz CIXAGGXNQJDIEC-UHFFFAOYSA-N 0 0 470.510 5.465 40 0 JKABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4cccc(Cl)c4)cc3)s2)cc1 ZINC000039743980 569811252 /nfs/dbraw/zinc/81/12/52/569811252.db2.gz PVVQRCASXRTXIR-UHFFFAOYSA-N 0 0 464.934 5.372 40 0 JKABRN O=C(CCC(=O)c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000039750345 569811275 /nfs/dbraw/zinc/81/12/75/569811275.db2.gz WWQCVISRVSFSCK-UHFFFAOYSA-N 0 0 456.527 5.059 40 0 JKABRN COc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3OC(=O)c3ccccc3)s2)cc1 ZINC000039751275 569811338 /nfs/dbraw/zinc/81/13/38/569811338.db2.gz QSGQNYMTOJXVRU-DTQAZKPQSA-N 0 0 457.511 5.085 40 0 JKABRN O=C(Cc1cccc2ccccc21)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000039755161 569811404 /nfs/dbraw/zinc/81/14/04/569811404.db2.gz QNNVDACSJSOPGS-UHFFFAOYSA-N 0 0 464.550 5.792 40 0 JKABRN COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000039757215 569811448 /nfs/dbraw/zinc/81/14/48/569811448.db2.gz JIVUBSQSPHNIJM-UHFFFAOYSA-N 0 0 464.934 5.372 40 0 JKABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)CCC(=O)c3ccccc3)s2)cc1 ZINC000039759604 569811478 /nfs/dbraw/zinc/81/14/78/569811478.db2.gz IAUBHPBNOCLFKL-UHFFFAOYSA-N 0 0 486.553 5.068 40 0 JKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000039756955 569811511 /nfs/dbraw/zinc/81/15/11/569811511.db2.gz YJTXYXVLWNNRNJ-UHFFFAOYSA-N 0 0 479.359 5.472 40 0 JKABRN O=C(Nc1nnc(-c2ccccc2)o1)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000039767752 569811723 /nfs/dbraw/zinc/81/17/23/569811723.db2.gz MYDBWOCYZNBWAL-UHFFFAOYSA-N 0 0 463.291 5.004 40 0 JKABRN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc1OC ZINC000039767691 569811728 /nfs/dbraw/zinc/81/17/28/569811728.db2.gz QBASOYVTNREVQQ-RVDMUPIBSA-N 0 0 466.493 6.424 40 0 JKABRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)s2)cc1 ZINC000039763407 569811738 /nfs/dbraw/zinc/81/17/38/569811738.db2.gz ZDNYFPQMCSVMJI-VGOFMYFVSA-N 0 0 490.972 5.771 40 0 JKABRN O=C(NCCSCc1ccc(Cl)cc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039768841 569811846 /nfs/dbraw/zinc/81/18/46/569811846.db2.gz HOPFWQIKTGDZEQ-UHFFFAOYSA-N 0 0 489.871 6.048 40 0 JKABRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4ccc(Br)cc4)c3)o2)cc1 ZINC000039768349 569811916 /nfs/dbraw/zinc/81/19/16/569811916.db2.gz JQKVROBJGOMXQO-UHFFFAOYSA-N 0 0 493.317 5.012 40 0 JKABRN O=C1S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000039860664 569812137 /nfs/dbraw/zinc/81/21/37/569812137.db2.gz WHPZTOVLVJCQPD-BKUYFWCQSA-N 0 0 456.350 6.813 40 0 JKABRN O=C1S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000039861017 569812156 /nfs/dbraw/zinc/81/21/56/569812156.db2.gz XPJNVPPDXMHFFZ-NHDPSOOVSA-N 0 0 490.795 7.467 40 0 JKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O ZINC000039857482 569812192 /nfs/dbraw/zinc/81/21/92/569812192.db2.gz OVOHWJHCUQPEMD-HMAPJEAMSA-N 0 0 451.931 6.169 40 0 JKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O ZINC000039857483 569812195 /nfs/dbraw/zinc/81/21/95/569812195.db2.gz SCEADJOUVNDNDV-HMAPJEAMSA-N 0 0 451.931 6.169 40 0 JKABRN O=C(C[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1cccc(OC(F)(F)F)c1 ZINC000039964029 569812525 /nfs/dbraw/zinc/81/25/25/569812525.db2.gz LXPXFBIFKUTIIB-QFIPXVFZSA-N 0 0 494.473 5.094 40 0 JKABRN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000102435907 569813103 /nfs/dbraw/zinc/81/31/03/569813103.db2.gz UUPLKWYRPMOBOB-MERSGSKISA-N 0 0 460.936 6.905 40 0 JKABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2Sc2ccccc2)cc1C ZINC000039986267 569813131 /nfs/dbraw/zinc/81/31/31/569813131.db2.gz VFSDWIDMDLDFCG-UHFFFAOYSA-N 0 0 484.643 5.194 40 0 JKABRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(SC)cc4)c(=O)n31)c1ccccc1CC2 ZINC000040033116 569814383 /nfs/dbraw/zinc/81/43/83/569814383.db2.gz NZVWRAWTOSBZDD-DBXPASCUSA-N 0 0 496.657 5.049 40 0 JKABRN O=C1N[C@@H](c2ccc(-c3ccccc3Cl)o2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000102692513 569815878 /nfs/dbraw/zinc/81/58/78/569815878.db2.gz KUYQRMQSFAKNDF-BBTUJRGHSA-N 0 0 499.272 5.357 40 0 JKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000102695853 569816068 /nfs/dbraw/zinc/81/60/68/569816068.db2.gz KWRCYCMVQGXSCO-DZXSTVKWSA-N 0 0 499.072 8.479 40 0 JKABRN Cc1ccc([C@@H](O)P(=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000102704002 569816347 /nfs/dbraw/zinc/81/63/47/569816347.db2.gz CXJVPNVSOOKWQM-WHQGLISVSA-N 0 0 478.654 8.134 40 0 JKABRN Cc1ccc([C@@H](O)[P@@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000102704008 569816395 /nfs/dbraw/zinc/81/63/95/569816395.db2.gz CXJVPNVSOOKWQM-MXBQIASVSA-N 0 0 478.654 8.134 40 0 JKABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000102706267 569816410 /nfs/dbraw/zinc/81/64/10/569816410.db2.gz IWVMXDZNASXNLL-SDHOMARFSA-N 0 0 489.358 6.198 40 0 JKABRN Oc1c2c(c(O)n1-c1ccc(Cl)cc1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000102707311 569816520 /nfs/dbraw/zinc/81/65/20/569816520.db2.gz IWRYMFUIBSOYMV-DSITVLBTSA-N 0 0 454.913 5.544 40 0 JKABRN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H]([C@@]4(CC)CCC(CC)=CO4)[C@H]3C2=O)cc1 ZINC000102724783 569817739 /nfs/dbraw/zinc/81/77/39/569817739.db2.gz 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569855947 /nfs/dbraw/zinc/85/59/47/569855947.db2.gz FMVMJYKQZMERTM-UHFFFAOYSA-N 0 0 451.191 7.255 40 0 JKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000106971710 569855956 /nfs/dbraw/zinc/85/59/56/569855956.db2.gz VSNLWVLXBMYXLO-UHFFFAOYSA-N 0 0 450.793 7.545 40 0 JKABRN Clc1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000106971420 569855969 /nfs/dbraw/zinc/85/59/69/569855969.db2.gz SEXXTNWDKGYYKW-UHFFFAOYSA-N 0 0 477.218 8.645 40 0 JKABRN CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1F ZINC000106971552 569855973 /nfs/dbraw/zinc/85/59/73/569855973.db2.gz BZFFWVHIIZEJEC-UHFFFAOYSA-N 0 0 499.207 7.485 40 0 JKABRN CCCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1Br ZINC000106965088 569855974 /nfs/dbraw/zinc/85/59/74/569855974.db2.gz BFLXLLUYSPQTON-UHFFFAOYSA-N 0 0 451.561 6.405 40 0 JKABRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1 ZINC000106970908 569855976 /nfs/dbraw/zinc/85/59/76/569855976.db2.gz FMXGOORTCCJOJZ-UHFFFAOYSA-N 0 0 467.190 6.956 40 0 JKABRN 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569876037 /nfs/dbraw/zinc/87/60/37/569876037.db2.gz WHLFYQXUEXGQLS-FYJGNVAPSA-N 0 0 456.350 6.813 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000214053211 569876283 /nfs/dbraw/zinc/87/62/83/569876283.db2.gz FXNZUFQFHVDKKW-WPWMEQJKSA-N 0 0 481.573 6.664 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000214067726 569876312 /nfs/dbraw/zinc/87/63/12/569876312.db2.gz KOXUWMURMKFPTJ-BUVRLJJBSA-N 0 0 479.985 6.554 40 0 JKABRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000214050926 569876320 /nfs/dbraw/zinc/87/63/20/569876320.db2.gz SDDQNNAJHZRZPX-HZHRSRAPSA-N 0 0 458.539 5.249 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1ccccc1Cl ZINC000214108619 569876335 /nfs/dbraw/zinc/87/63/35/569876335.db2.gz VCLZZLTWNLTTRS-LPYMAVHISA-N 0 0 470.377 6.809 40 0 JKABRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1Cl ZINC000214116098 569876348 /nfs/dbraw/zinc/87/63/48/569876348.db2.gz ZNZMYBDWCWAPNL-VXLYETTFSA-N 0 0 464.757 7.143 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccccc1Cl ZINC000214114825 569876354 /nfs/dbraw/zinc/87/63/54/569876354.db2.gz LBHLYXUVGLNCLE-LPYMAVHISA-N 0 0 453.922 6.295 40 0 JKABRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000214084127 569876355 /nfs/dbraw/zinc/87/63/55/569876355.db2.gz QRUSCRRKRSOTOA-BRJLIKDPSA-N 0 0 494.056 7.053 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3cccc4ccccc43)c2)C(=O)N1Cc1ccccc1Cl ZINC000214084642 569876371 /nfs/dbraw/zinc/87/63/71/569876371.db2.gz NNVDEIQEQFVMTQ-WGOQTCKBSA-N 0 0 485.992 7.309 40 0 JKABRN Cc1c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000214138415 569876399 /nfs/dbraw/zinc/87/63/99/569876399.db2.gz YIQHRKJSJUVSHN-AFUMVMLFSA-N 0 0 490.987 7.027 40 0 JKABRN O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(F)cc1 ZINC000214233764 569876428 /nfs/dbraw/zinc/87/64/28/569876428.db2.gz GSNBNWKJSCPOIJ-SSDVNMTOSA-N 0 0 488.367 6.948 40 0 JKABRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000214205686 569876431 /nfs/dbraw/zinc/87/64/31/569876431.db2.gz YBGKTSQVQSQOOD-OEAKJJBVSA-N 0 0 492.984 5.902 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000214198178 569876432 /nfs/dbraw/zinc/87/64/32/569876432.db2.gz XDVZSWHGBHIJIA-BUVRLJJBSA-N 0 0 463.530 6.040 40 0 JKABRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000214237847 569876483 /nfs/dbraw/zinc/87/64/83/569876483.db2.gz XONIRGSZEZGXCE-BRJLIKDPSA-N 0 0 477.601 6.539 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000214251601 569876488 /nfs/dbraw/zinc/87/64/88/569876488.db2.gz USUMSSOXTNPZTR-LPYMAVHISA-N 0 0 453.922 6.295 40 0 JKABRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000214256372 569876504 /nfs/dbraw/zinc/87/65/04/569876504.db2.gz OUEYNSUVWXMFSR-LPYMAVHISA-N 0 0 453.922 6.295 40 0 JKABRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1F ZINC000214339541 569876548 /nfs/dbraw/zinc/87/65/48/569876548.db2.gz QOQLLMIACMTOKL-LPYMAVHISA-N 0 0 453.922 6.295 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)C(=O)N1Cc1ccccc1F ZINC000214379630 569876581 /nfs/dbraw/zinc/87/65/81/569876581.db2.gz DJLLLBITGCVVDO-WSDLNYQXSA-N 0 0 471.912 6.434 40 0 JKABRN O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1F ZINC000214376394 569876588 /nfs/dbraw/zinc/87/65/88/569876588.db2.gz VCDYRZWMMRSCLZ-SSDVNMTOSA-N 0 0 488.367 6.948 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3cccc4ccccc43)c2)C(=O)N1Cc1ccccc1F ZINC000214366789 569876601 /nfs/dbraw/zinc/87/66/01/569876601.db2.gz UWEJMHKIRCARCN-WGOQTCKBSA-N 0 0 469.537 6.794 40 0 JKABRN COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1OCc1ccc(Cl)cc1 ZINC000214383075 569876607 /nfs/dbraw/zinc/87/66/07/569876607.db2.gz LKCFDVRSQNJLSK-LPYMAVHISA-N 0 0 483.948 6.303 40 0 JKABRN O=C1S/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)C(=O)N1Cc1ccccc1F ZINC000214382670 569876609 /nfs/dbraw/zinc/87/66/09/569876609.db2.gz LWTNEIRZOLJUEX-WGOQTCKBSA-N 0 0 469.537 6.794 40 0 JKABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000214438325 569876650 /nfs/dbraw/zinc/87/66/50/569876650.db2.gz WSCROMPNDQJMTM-FRKPEAEDSA-N 0 0 473.175 6.001 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(Br)c1O ZINC000214427047 569876677 /nfs/dbraw/zinc/87/66/77/569876677.db2.gz KAVZJYDCNDAJEV-GIDUJCDVSA-N 0 0 489.174 5.707 40 0 JKABRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 ZINC000214458892 569876721 /nfs/dbraw/zinc/87/67/21/569876721.db2.gz UMOXIMAHTXNFTI-UDWIEESQSA-N 0 0 454.345 6.254 40 0 JKABRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)ccc1Cl ZINC000214471275 569876727 /nfs/dbraw/zinc/87/67/27/569876727.db2.gz AFGDSHYWOJNKBD-UDWIEESQSA-N 0 0 496.928 5.062 40 0 JKABRN Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4c(F)cccc4Cl)c3)C2=O)c1 ZINC000214580025 569876737 /nfs/dbraw/zinc/87/67/37/569876737.db2.gz BAEXKSTWGKBXDT-YDZHTSKRSA-N 0 0 467.949 6.603 40 0 JKABRN Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1 ZINC000214609951 569876748 /nfs/dbraw/zinc/87/67/48/569876748.db2.gz DYBMPGGBLGJFBM-HZHRSRAPSA-N 0 0 458.539 5.249 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O)Nc1ccccc1 ZINC000214630301 569876787 /nfs/dbraw/zinc/87/67/87/569876787.db2.gz WIHCJCWDJVLALZ-XDHOZWIPSA-N 0 0 483.343 5.384 40 0 JKABRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 ZINC000214624510 569876792 /nfs/dbraw/zinc/87/67/92/569876792.db2.gz OUPJLSXWDRYJGB-LFVJCYFKSA-N 0 0 475.566 6.448 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCC(=O)OC ZINC000214796406 569876967 /nfs/dbraw/zinc/87/69/67/569876967.db2.gz LXNANIWCCZWGTO-VXLYETTFSA-N 0 0 496.368 5.180 40 0 JKABRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000214806950 569876975 /nfs/dbraw/zinc/87/69/75/569876975.db2.gz MBZZTIOUULSUGQ-RGVLZGJSSA-N 0 0 488.348 6.277 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(OC)c1OC ZINC000214820800 569877000 /nfs/dbraw/zinc/87/70/00/569877000.db2.gz JYATXJKKNJPSNZ-RQZCQDPDSA-N 0 0 454.331 5.256 40 0 JKABRN O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214881177 569877011 /nfs/dbraw/zinc/87/70/11/569877011.db2.gz MYFQQQJRXGZDQH-VIZOYTHASA-N 0 0 461.139 6.132 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OC(C)C ZINC000214892099 569877022 /nfs/dbraw/zinc/87/70/22/569877022.db2.gz NBGBOFBUPNTXGH-UDWIEESQSA-N 0 0 476.392 5.872 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)C ZINC000214879660 569877029 /nfs/dbraw/zinc/87/70/29/569877029.db2.gz JYSGGBFCNDTIRS-RGVLZGJSSA-N 0 0 466.386 6.416 40 0 JKABRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O ZINC000214968977 569877048 /nfs/dbraw/zinc/87/70/48/569877048.db2.gz AOCLJSZLAKUGNE-LICLKQGHSA-N 0 0 452.757 5.738 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214954141 569877059 /nfs/dbraw/zinc/87/70/59/569877059.db2.gz NMZILKKCCWQJGP-LPYMAVHISA-N 0 0 498.373 6.404 40 0 JKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214954194 569877083 /nfs/dbraw/zinc/87/70/83/569877083.db2.gz GPXHMOQDLVIKFV-LPYMAVHISA-N 0 0 498.373 6.404 40 0 JKABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c2ccccc12 ZINC000215103108 569877161 /nfs/dbraw/zinc/87/71/61/569877161.db2.gz VIZUBWJMHAGLDJ-UDWIEESQSA-N 0 0 454.345 5.847 40 0 JKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1Br ZINC000215097202 569877168 /nfs/dbraw/zinc/87/71/68/569877168.db2.gz KJJYDTOGJHKIPP-LPYMAVHISA-N 0 0 498.373 6.404 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc(Br)c1O ZINC000215092909 569877178 /nfs/dbraw/zinc/87/71/78/569877178.db2.gz MZPXCWRYADCGAT-OVCLIPMQSA-N 0 0 499.180 5.162 40 0 JKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1Br ZINC000215099504 569877185 /nfs/dbraw/zinc/87/71/85/569877185.db2.gz NOKYJPCDCPVRTL-LPYMAVHISA-N 0 0 498.373 6.404 40 0 JKABRN Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c1 ZINC000215055561 569877195 /nfs/dbraw/zinc/87/71/95/569877195.db2.gz UNNFBKOLIPWYLZ-OEAKJJBVSA-N 0 0 494.410 6.573 40 0 JKABRN O=C(COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O)Nc1ccccc1 ZINC000215114120 569877203 /nfs/dbraw/zinc/87/72/03/569877203.db2.gz HOJAJCNPAXYYAI-WSDLNYQXSA-N 0 0 496.947 5.733 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1O[C@@H](C)CC ZINC000215209939 569877292 /nfs/dbraw/zinc/87/72/92/569877292.db2.gz QLCLYLCFTXUWGF-DKNGMTOASA-N 0 0 489.977 5.881 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Cl)c1OCC ZINC000215267601 569877340 /nfs/dbraw/zinc/87/73/40/569877340.db2.gz VHFAJCYYORRYAP-VCHYOVAHSA-N 0 0 470.349 6.166 40 0 JKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1OCC ZINC000215273385 569877349 /nfs/dbraw/zinc/87/73/49/569877349.db2.gz KUHXIEQERGFGHE-DNTJNYDQSA-N 0 0 461.923 5.103 40 0 JKABRN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)cc2)cc1 ZINC000215281036 569877352 /nfs/dbraw/zinc/87/73/52/569877352.db2.gz QGEONUHHNWYOKG-LPYMAVHISA-N 0 0 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CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222931907 569894727 /nfs/dbraw/zinc/89/47/27/569894727.db2.gz JGZDMHMUWFJVAF-MRXNPFEDSA-N 0 0 453.435 5.419 40 0 JKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222931768 569894729 /nfs/dbraw/zinc/89/47/29/569894729.db2.gz XLJPQPHHHMAWNV-LEWJYISDSA-N 0 0 455.425 5.263 40 0 JKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000222931525 569894744 /nfs/dbraw/zinc/89/47/44/569894744.db2.gz CPHRIPXGOKRSMN-LEWJYISDSA-N 0 0 455.425 5.263 40 0 JKABRN C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCCC2 ZINC000222931777 569894748 /nfs/dbraw/zinc/89/47/48/569894748.db2.gz NPQRAVKLLZWSTN-GOSISDBHSA-N 0 0 483.033 5.535 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc(C)c1Cl ZINC000222932526 569894753 /nfs/dbraw/zinc/89/47/53/569894753.db2.gz WRFMKDIHQBTGIF-INIZCTEOSA-N 0 0 499.866 5.974 40 0 JKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 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569924209 /nfs/dbraw/zinc/92/42/09/569924209.db2.gz YCIXLFLWEGPOQI-QFIPXVFZSA-N 0 0 481.420 5.105 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1 ZINC000223818185 569924221 /nfs/dbraw/zinc/92/42/21/569924221.db2.gz DJOZIOSLURQSSC-OAQYLSRUSA-N 0 0 451.394 5.096 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223817434 569924223 /nfs/dbraw/zinc/92/42/23/569924223.db2.gz CIRYYNWVNAJIMN-QFIPXVFZSA-N 0 0 499.479 6.089 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000223818244 569924224 /nfs/dbraw/zinc/92/42/24/569924224.db2.gz CRJSIOFBDNRTBW-OAQYLSRUSA-N 0 0 485.839 5.749 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1 ZINC000223818525 569924238 /nfs/dbraw/zinc/92/42/38/569924238.db2.gz WYPADMOCIRLWDH-QFIPXVFZSA-N 0 0 481.489 5.950 40 0 JKABRN Cc1ccc(OCCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223819777 569924240 /nfs/dbraw/zinc/92/42/40/569924240.db2.gz LMSOVCPGSDNNFS-FQEVSTJZSA-N 0 0 457.014 5.284 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc(C)c1Cl ZINC000223820536 569924258 /nfs/dbraw/zinc/92/42/58/569924258.db2.gz OBEJUNQVQOXXJR-GOSISDBHSA-N 0 0 477.432 5.465 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223820550 569924285 /nfs/dbraw/zinc/92/42/85/569924285.db2.gz XQOJNTVWKXNKNT-IBGZPJMESA-N 0 0 471.041 5.492 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 ZINC000223826191 569924441 /nfs/dbraw/zinc/92/44/41/569924441.db2.gz BEVIHZKSYVHWRQ-IZZNHLLZSA-N 0 0 454.599 5.757 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 ZINC000223826088 569924443 /nfs/dbraw/zinc/92/44/43/569924443.db2.gz BEVIHZKSYVHWRQ-UIOOFZCWSA-N 0 0 454.599 5.757 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000223826630 569924453 /nfs/dbraw/zinc/92/44/53/569924453.db2.gz YJJZSJMJOIEPRO-SXOMAYOGSA-N 0 0 483.641 5.514 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223827771 569924504 /nfs/dbraw/zinc/92/45/04/569924504.db2.gz UHTCOFUDNKGSDY-JWQCQUIFSA-N 0 0 458.562 5.587 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(OC)cc2)cc1 ZINC000223828702 569924524 /nfs/dbraw/zinc/92/45/24/569924524.db2.gz YSPGQNJDEPEQQW-CLJLJLNGSA-N 0 0 470.598 5.457 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223828847 569924528 /nfs/dbraw/zinc/92/45/28/569924528.db2.gz FZXMHXXZOIAYOM-RPBOFIJWSA-N 0 0 456.571 5.154 40 0 JKABRN Cc1ccc(CN(c2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)S(C)(=O)=O)cc1 ZINC000223828081 569924537 /nfs/dbraw/zinc/92/45/37/569924537.db2.gz OHRDUYLPTIDLLR-UHFFFAOYSA-N 0 0 470.594 5.465 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223830343 569924579 /nfs/dbraw/zinc/92/45/79/569924579.db2.gz HPELYODGCHXZAA-OAHLLOKOSA-N 0 0 483.823 5.502 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)c(C)c2)cc1 ZINC000223830293 569924583 /nfs/dbraw/zinc/92/45/83/569924583.db2.gz YAIKMKJILQPYNW-SVBPBHIXSA-N 0 0 468.626 6.065 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223832231 569924601 /nfs/dbraw/zinc/92/46/01/569924601.db2.gz ALFVJPGJATWWQX-OAQYLSRUSA-N 0 0 463.021 5.806 40 0 JKABRN Cc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000223832210 569924615 /nfs/dbraw/zinc/92/46/15/569924615.db2.gz JUOFUKQRWQUGBY-UHFFFAOYSA-N 0 0 491.440 5.164 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1Cl ZINC000223831704 569924618 /nfs/dbraw/zinc/92/46/18/569924618.db2.gz KQUHBQZDKGINGY-KRWDZBQOSA-N 0 0 479.473 5.703 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1cccc(Cl)c1 ZINC000223835610 569924703 /nfs/dbraw/zinc/92/47/03/569924703.db2.gz FHJXHCJIJSGMST-CQSZACIVSA-N 0 0 473.853 5.433 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1Cl ZINC000223835463 569924705 /nfs/dbraw/zinc/92/47/05/569924705.db2.gz BNMCVMZJBPRVPU-CQSZACIVSA-N 0 0 473.853 5.433 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccc(Cl)cc1 ZINC000223834893 569924710 /nfs/dbraw/zinc/92/47/10/569924710.db2.gz WXWYZLDCYNHYDC-ZDUSSCGKSA-N 0 0 459.826 5.292 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3C)o2)cc1 ZINC000223835232 569924720 /nfs/dbraw/zinc/92/47/20/569924720.db2.gz XUKDSOCPXQJPEJ-UIOOFZCWSA-N 0 0 490.028 6.879 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(Cl)ccc3C)o2)cc1 ZINC000223836459 569924723 /nfs/dbraw/zinc/92/47/23/569924723.db2.gz WQUPDJIQSGDZRZ-UIOOFZCWSA-N 0 0 490.028 6.879 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1cccc(Cl)c1 ZINC000223835668 569924725 /nfs/dbraw/zinc/92/47/25/569924725.db2.gz FHJXHCJIJSGMST-AWEZNQCLSA-N 0 0 473.853 5.433 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1C ZINC000223835102 569924732 /nfs/dbraw/zinc/92/47/32/569924732.db2.gz NZEHKUNDUPHLIJ-MRXNPFEDSA-N 0 0 453.435 5.088 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223835407 569924750 /nfs/dbraw/zinc/92/47/50/569924750.db2.gz INMZOAMNBGZSPE-KRWDZBQOSA-N 0 0 467.462 5.397 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000223836960 569924767 /nfs/dbraw/zinc/92/47/67/569924767.db2.gz KPRBUIPQIOJZRF-UIOOFZCWSA-N 0 0 490.028 6.879 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000223837010 569924769 /nfs/dbraw/zinc/92/47/69/569924769.db2.gz KPRBUIPQIOJZRF-FTJBHMTQSA-N 0 0 490.028 6.879 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000223837066 569924789 /nfs/dbraw/zinc/92/47/89/569924789.db2.gz KPRBUIPQIOJZRF-IZZNHLLZSA-N 0 0 490.028 6.879 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223840294 569924818 /nfs/dbraw/zinc/92/48/18/569924818.db2.gz QJWQNHVTPCQWHA-DEOSSOPVSA-N 0 0 493.475 6.185 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2c(C)c(C)n(-c3ccccc3)c2C)cc1 ZINC000223839595 569924834 /nfs/dbraw/zinc/92/48/34/569924834.db2.gz IJJTWILTLHRESR-WUFINQPMSA-N 0 0 482.653 6.373 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2c(C)c(C)n(-c3ccccc3)c2C)cc1 ZINC000223839488 569924840 /nfs/dbraw/zinc/92/48/40/569924840.db2.gz IJJTWILTLHRESR-NSOVKSMOSA-N 0 0 482.653 6.373 40 0 JKABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1 ZINC000223840377 569924848 /nfs/dbraw/zinc/92/48/48/569924848.db2.gz MXPVHGNTFOOALT-IEUUHXEXSA-N 0 0 486.568 5.402 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223843484 569924861 /nfs/dbraw/zinc/92/48/61/569924861.db2.gz KCFKWJNRZNLCJG-JOCHJYFZSA-N 0 0 499.866 6.058 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)OC)c3)o2)cc1 ZINC000223842139 569924862 /nfs/dbraw/zinc/92/48/62/569924862.db2.gz KHQWUQMVIBLAQC-CLJLJLNGSA-N 0 0 499.592 5.704 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)OC)c3)o2)cc1 ZINC000223842092 569924872 /nfs/dbraw/zinc/92/48/72/569924872.db2.gz KHQWUQMVIBLAQC-IZZNHLLZSA-N 0 0 499.592 5.704 40 0 JKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 ZINC000223841791 569924880 /nfs/dbraw/zinc/92/48/80/569924880.db2.gz GGMUCEIGUKERHR-FTJBHMTQSA-N 0 0 499.592 5.704 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)cc1 ZINC000223845114 569924923 /nfs/dbraw/zinc/92/49/23/569924923.db2.gz ITFCBAKRPCSHHZ-UHFFFAOYSA-N 0 0 470.550 5.972 40 0 JKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223846059 569924926 /nfs/dbraw/zinc/92/49/26/569924926.db2.gz HJWIPLWVFFCDBO-CLJLJLNGSA-N 0 0 489.044 6.334 40 0 JKABRN Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)S(C)(=O)=O ZINC000223843745 569924927 /nfs/dbraw/zinc/92/49/27/569924927.db2.gz ACJMTSZZMHOHQB-UHFFFAOYSA-N 0 0 485.609 5.199 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(CC)cc1 ZINC000223843966 569924931 /nfs/dbraw/zinc/92/49/31/569924931.db2.gz WAFPLSGUBGEWSY-QHCPKHFHSA-N 0 0 479.448 5.658 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000223844055 569924950 /nfs/dbraw/zinc/92/49/50/569924950.db2.gz DDBRJXUQETXORV-XMMPIXPASA-N 0 0 493.475 6.219 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(CC)cc1 ZINC000223847315 569924958 /nfs/dbraw/zinc/92/49/58/569924958.db2.gz YTEWXKWFHSPOLF-DEOSSOPVSA-N 0 0 477.476 6.212 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1 ZINC000223849320 569925030 /nfs/dbraw/zinc/92/50/30/569925030.db2.gz DUEJPNCKBQGLTD-XZOQPEGZSA-N 0 0 464.953 5.548 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223851283 569925104 /nfs/dbraw/zinc/92/51/04/569925104.db2.gz HHUBEIUELQXMGT-AREMUKBSSA-N 0 0 499.482 6.803 40 0 JKABRN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223853136 569925139 /nfs/dbraw/zinc/92/51/39/569925139.db2.gz JVHOVSIRZXTSDM-ZEQRLZLVSA-N 0 0 459.596 6.017 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(C)c1C ZINC000223853116 569925160 /nfs/dbraw/zinc/92/51/60/569925160.db2.gz AGWUEBPMIZCKRL-QFIPXVFZSA-N 0 0 479.448 5.713 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccccc1 ZINC000223855073 569925184 /nfs/dbraw/zinc/92/51/84/569925184.db2.gz AZADKXWGCLNSGT-UIOOFZCWSA-N 0 0 454.599 5.431 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc2ccccc21 ZINC000223855592 569925192 /nfs/dbraw/zinc/92/51/92/569925192.db2.gz XZTKKBMEALAZBW-IBGZPJMESA-N 0 0 464.993 5.348 40 0 JKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccccc1 ZINC000223854914 569925209 /nfs/dbraw/zinc/92/52/09/569925209.db2.gz AZADKXWGCLNSGT-CLJLJLNGSA-N 0 0 454.599 5.431 40 0 JKABRN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)ccc1C ZINC000223855886 569925246 /nfs/dbraw/zinc/92/52/46/569925246.db2.gz ZSAMXIQZQQCGFS-UHFFFAOYSA-N 0 0 461.992 5.528 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1C ZINC000223856608 569925264 /nfs/dbraw/zinc/92/52/64/569925264.db2.gz TUYDSWNVJQDVGJ-QHCPKHFHSA-N 0 0 495.516 6.259 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)ccc1Cl ZINC000223856044 569925266 /nfs/dbraw/zinc/92/52/66/569925266.db2.gz WYOYQSTWPXSRIS-KRWDZBQOSA-N 0 0 463.405 5.157 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1C ZINC000223856552 569925271 /nfs/dbraw/zinc/92/52/71/569925271.db2.gz TUYDSWNVJQDVGJ-HSZRJFAPSA-N 0 0 495.516 6.259 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223857974 569925293 /nfs/dbraw/zinc/92/52/93/569925293.db2.gz IURZOGGVCFSXQG-QHCPKHFHSA-N 0 0 495.516 6.508 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223857913 569925310 /nfs/dbraw/zinc/92/53/10/569925310.db2.gz IURZOGGVCFSXQG-HSZRJFAPSA-N 0 0 495.516 6.508 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223857215 569925313 /nfs/dbraw/zinc/92/53/13/569925313.db2.gz VPVXVXCEGMOXJI-JOCHJYFZSA-N 0 0 489.059 6.338 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223862732 569925468 /nfs/dbraw/zinc/92/54/68/569925468.db2.gz YIQLXVJQCPEZTN-FQEVSTJZSA-N 0 0 463.021 5.902 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223862922 569925489 /nfs/dbraw/zinc/92/54/89/569925489.db2.gz ZUGYDCSYJQBXFO-GOSISDBHSA-N 0 0 493.500 6.342 40 0 JKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223864356 569925500 /nfs/dbraw/zinc/92/55/00/569925500.db2.gz BTQUSVOGALVJAS-LJQANCHMSA-N 0 0 457.014 5.318 40 0 JKABRN CCc1ccc(CC)c(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223865815 569925565 /nfs/dbraw/zinc/92/55/65/569925565.db2.gz UDCJVZAGXHQJJL-UHFFFAOYSA-N 0 0 485.049 5.285 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223865528 569925573 /nfs/dbraw/zinc/92/55/73/569925573.db2.gz FGTKJXZVFITCAG-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1OC ZINC000223866140 569925622 /nfs/dbraw/zinc/92/56/22/569925622.db2.gz YLCDUGZIOJFUTB-OSVNEOKWSA-N 0 0 464.587 5.030 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223866160 569925634 /nfs/dbraw/zinc/92/56/34/569925634.db2.gz QNQBHAFTIWXWRO-HNNXBMFYSA-N 0 0 471.812 5.196 40 0 JKABRN Cc1cc(C)cc(CSCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223868139 569925646 /nfs/dbraw/zinc/92/56/46/569925646.db2.gz GBFOBSXCOXQSEA-FQEVSTJZSA-N 0 0 456.627 5.152 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Br)cc2)cc1 ZINC000223868896 569925657 /nfs/dbraw/zinc/92/56/57/569925657.db2.gz GUYHDQIBLATLOL-XZOQPEGZSA-N 0 0 491.414 5.518 40 0 JKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000223867608 569925681 /nfs/dbraw/zinc/92/56/81/569925681.db2.gz MHRPXZNSOBPIIU-UHFFFAOYSA-N 0 0 456.567 5.324 40 0 JKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Br)cc2)cc1 ZINC000223868835 569925688 /nfs/dbraw/zinc/92/56/88/569925688.db2.gz GUYHDQIBLATLOL-PKTZIBPZSA-N 0 0 491.414 5.518 40 0 JKABRN CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223869718 569925752 /nfs/dbraw/zinc/92/57/52/569925752.db2.gz SCEFKTKGZIRDRS-RPBOFIJWSA-N 0 0 456.571 5.154 40 0 JKABRN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)ccc1Cl ZINC000223870975 569925781 /nfs/dbraw/zinc/92/57/81/569925781.db2.gz GPFJFMOEOMLHRG-ZEQRLZLVSA-N 0 0 460.990 5.717 40 0 JKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(Cl)cc3)o2)cc1 ZINC000223871821 569925790 /nfs/dbraw/zinc/92/57/90/569925790.db2.gz JOAIBLZSKGHDHS-GOTSBHOMSA-N 0 0 480.014 6.362 40 0 JKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1 ZINC000223871263 569925799 /nfs/dbraw/zinc/92/57/99/569925799.db2.gz OUJTYKCHBIEIJC-RJDQKLELSA-N 0 0 462.615 5.400 40 0 JKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223873304 569925807 /nfs/dbraw/zinc/92/58/07/569925807.db2.gz UGBPAYNFIQNUME-LOSJGSFVSA-N 0 0 457.555 5.623 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223874240 569925844 /nfs/dbraw/zinc/92/58/44/569925844.db2.gz YXPCDKATHQVVTH-HNNXBMFYSA-N 0 0 487.880 6.073 40 0 JKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223876325 569925890 /nfs/dbraw/zinc/92/58/90/569925890.db2.gz BRUWBVMDPQIURT-DNQXCXABSA-N 0 0 461.974 6.186 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223875646 569925897 /nfs/dbraw/zinc/92/58/97/569925897.db2.gz ZOFPGIJURFAQEW-INIZCTEOSA-N 0 0 451.394 5.049 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223880071 569926023 /nfs/dbraw/zinc/92/60/23/569926023.db2.gz RMKPKNOPDIHWTL-CQSZACIVSA-N 0 0 473.853 5.682 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 ZINC000223883669 569926196 /nfs/dbraw/zinc/92/61/96/569926196.db2.gz SCNONCPRZCENGE-RTBURBONSA-N 0 0 459.438 5.149 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 ZINC000223883859 569926198 /nfs/dbraw/zinc/92/61/98/569926198.db2.gz HOXRIVKMKXTWNV-RBUKOAKNSA-N 0 0 459.438 5.149 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1Cc1cccnc1 ZINC000223886352 569926279 /nfs/dbraw/zinc/92/62/79/569926279.db2.gz MKYCVSFZEWIDGI-SXOMAYOGSA-N 0 0 482.657 5.186 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000223884761 569926283 /nfs/dbraw/zinc/92/62/83/569926283.db2.gz KLEQFDKDRMPWBO-HSZRJFAPSA-N 0 0 479.448 5.713 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223885011 569926284 /nfs/dbraw/zinc/92/62/84/569926284.db2.gz IRWGJNQWYBLXMU-XMMPIXPASA-N 0 0 493.475 6.185 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223886376 569926286 /nfs/dbraw/zinc/92/62/86/569926286.db2.gz GYSHCBGORWTUSG-HSZRJFAPSA-N 0 0 463.449 5.876 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1nccs1 ZINC000223886884 569926290 /nfs/dbraw/zinc/92/62/90/569926290.db2.gz SHZYLLKUVNKOCF-XZOQPEGZSA-N 0 0 474.659 5.189 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2nc3ccccc3s2)cc1 ZINC000223887609 569926296 /nfs/dbraw/zinc/92/62/96/569926296.db2.gz NUHMCYVDGBOTMY-JWQCQUIFSA-N 0 0 496.665 5.725 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1nccs1 ZINC000223886932 569926300 /nfs/dbraw/zinc/92/63/00/569926300.db2.gz SHZYLLKUVNKOCF-GOTSBHOMSA-N 0 0 474.659 5.189 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223888323 569926324 /nfs/dbraw/zinc/92/63/24/569926324.db2.gz PGDVVESBMSKISM-QFIPXVFZSA-N 0 0 499.866 6.058 40 0 JKABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223889212 569926342 /nfs/dbraw/zinc/92/63/42/569926342.db2.gz YVIJDDDKEWYSGO-IZZNHLLZSA-N 0 0 469.614 5.124 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223889319 569926350 /nfs/dbraw/zinc/92/63/50/569926350.db2.gz COHLBLNVLPRLTM-OAHLLOKOSA-N 0 0 483.859 5.138 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223889446 569926352 /nfs/dbraw/zinc/92/63/52/569926352.db2.gz ZTCOYBBZBKIVHJ-JWQCQUIFSA-N 0 0 474.033 5.769 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223889033 569926354 /nfs/dbraw/zinc/92/63/54/569926354.db2.gz YYRXFOUSPHYCHK-SFHVURJKSA-N 0 0 460.977 5.114 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223889375 569926355 /nfs/dbraw/zinc/92/63/55/569926355.db2.gz COHLBLNVLPRLTM-HNNXBMFYSA-N 0 0 483.859 5.138 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSCc1ccccc1 ZINC000223889105 569926388 /nfs/dbraw/zinc/92/63/88/569926388.db2.gz VJRKMXCHDFUOHP-HSZRJFAPSA-N 0 0 495.516 6.340 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1 ZINC000223888881 569926390 /nfs/dbraw/zinc/92/63/90/569926390.db2.gz URBLDRUPCLSSAO-DQEYMECFSA-N 0 0 492.023 5.908 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223890105 569926396 /nfs/dbraw/zinc/92/63/96/569926396.db2.gz NGWAVEMJTLJSGJ-MRXNPFEDSA-N 0 0 497.886 5.279 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223890957 569926438 /nfs/dbraw/zinc/92/64/38/569926438.db2.gz QWKRJAUEJNQKBS-SFHVURJKSA-N 0 0 477.468 5.183 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223892208 569926448 /nfs/dbraw/zinc/92/64/48/569926448.db2.gz XEZVZWHAEONRBL-DEOSSOPVSA-N 0 0 477.476 6.212 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223892158 569926453 /nfs/dbraw/zinc/92/64/53/569926453.db2.gz XEZVZWHAEONRBL-XMMPIXPASA-N 0 0 477.476 6.212 40 0 JKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CCCCC1 ZINC000223892849 569926455 /nfs/dbraw/zinc/92/64/55/569926455.db2.gz TZPXVIXSTBWKIA-SXOMAYOGSA-N 0 0 473.690 6.248 40 0 JKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CCCC1 ZINC000223892621 569926463 /nfs/dbraw/zinc/92/64/63/569926463.db2.gz HQEMSHAXFIJSID-CLJLJLNGSA-N 0 0 459.663 5.858 40 0 JKABRN Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1 ZINC000223891823 569926464 /nfs/dbraw/zinc/92/64/64/569926464.db2.gz AJRJFMSRWURATQ-CLJLJLNGSA-N 0 0 486.666 6.377 40 0 JKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1Cc1ccccc1 ZINC000223893533 569926472 /nfs/dbraw/zinc/92/64/72/569926472.db2.gz CNOUHQIVRUJWRG-NSOVKSMOSA-N 0 0 481.669 5.791 40 0 JKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1Cc1ccccc1 ZINC000223893481 569926485 /nfs/dbraw/zinc/92/64/85/569926485.db2.gz CNOUHQIVRUJWRG-WUFINQPMSA-N 0 0 481.669 5.791 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1OCC ZINC000223894903 569926532 /nfs/dbraw/zinc/92/65/32/569926532.db2.gz UEOZVCCWLYSDMH-HXUWFJFHSA-N 0 0 484.612 5.032 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000223897111 569926545 /nfs/dbraw/zinc/92/65/45/569926545.db2.gz UTUMRBSKNWYXJB-OAQYLSRUSA-N 0 0 485.839 5.749 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C)cc1 ZINC000223896985 569926578 /nfs/dbraw/zinc/92/65/78/569926578.db2.gz UKLVMOORSRJFDQ-JOCHJYFZSA-N 0 0 465.421 5.404 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc21 ZINC000223896133 569926589 /nfs/dbraw/zinc/92/65/89/569926589.db2.gz IOJIGFXDSZFNNW-SANMLTNESA-N 0 0 499.482 6.803 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223899129 569926628 /nfs/dbraw/zinc/92/66/28/569926628.db2.gz OUCPZNIIIALNKE-MRXNPFEDSA-N 0 0 497.463 5.842 40 0 JKABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000223900076 569926654 /nfs/dbraw/zinc/92/66/54/569926654.db2.gz FFXPAFPSTZSLIY-UHFFFAOYSA-N 0 0 474.513 5.559 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223901213 569926665 /nfs/dbraw/zinc/92/66/65/569926665.db2.gz XYPQFRQDJZXHFX-HNNXBMFYSA-N 0 0 451.369 5.151 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 ZINC000223900716 569926671 /nfs/dbraw/zinc/92/66/71/569926671.db2.gz GPDWQRHJOUMHMD-NRFANRHFSA-N 0 0 467.462 5.809 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000223900290 569926687 /nfs/dbraw/zinc/92/66/87/569926687.db2.gz RXAYWIHMCRUCDA-JOCHJYFZSA-N 0 0 481.420 5.105 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1 ZINC000223901045 569926696 /nfs/dbraw/zinc/92/66/96/569926696.db2.gz SLTKICFHQRAWAH-JOCHJYFZSA-N 0 0 481.489 5.950 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 ZINC000223902117 569926703 /nfs/dbraw/zinc/92/67/03/569926703.db2.gz DHZRWTNQHVIDSU-QFIPXVFZSA-N 0 0 481.489 6.199 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000223902449 569926741 /nfs/dbraw/zinc/92/67/41/569926741.db2.gz DYJQZJFIJZDAGF-HSZRJFAPSA-N 0 0 495.516 6.508 40 0 JKABRN Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223903434 569926782 /nfs/dbraw/zinc/92/67/82/569926782.db2.gz RZGGLOJGKNMFLH-QGZVFWFLSA-N 0 0 479.473 5.870 40 0 JKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223904918 569926815 /nfs/dbraw/zinc/92/68/15/569926815.db2.gz LCONMLJHPZLDMB-IZZNHLLZSA-N 0 0 453.615 5.424 40 0 JKABRN Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223904869 569926841 /nfs/dbraw/zinc/92/68/41/569926841.db2.gz LCONMLJHPZLDMB-FTJBHMTQSA-N 0 0 453.615 5.424 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223905137 569926855 /nfs/dbraw/zinc/92/68/55/569926855.db2.gz LGZKWPYMSWPXLG-KRWDZBQOSA-N 0 0 463.449 5.777 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223906707 569926861 /nfs/dbraw/zinc/92/68/61/569926861.db2.gz FFIWGUSYJJFASL-OAHLLOKOSA-N 0 0 471.812 5.359 40 0 JKABRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223907214 569926878 /nfs/dbraw/zinc/92/68/78/569926878.db2.gz VXSPDPAWOHKKNK-CLJLJLNGSA-N 0 0 469.614 5.124 40 0 JKABRN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)ccc1Cl ZINC000223909178 569926919 /nfs/dbraw/zinc/92/69/19/569926919.db2.gz AGCVDDKWLVVBPG-UIOOFZCWSA-N 0 0 488.060 6.077 40 0 JKABRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)ccc1Cl ZINC000223909126 569926926 /nfs/dbraw/zinc/92/69/26/569926926.db2.gz AGCVDDKWLVVBPG-IZZNHLLZSA-N 0 0 488.060 6.077 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223908723 569926950 /nfs/dbraw/zinc/92/69/50/569926950.db2.gz JDOJFHXERSMGNQ-FQRUVTKNSA-N 0 0 497.466 6.091 40 0 JKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223910677 569926968 /nfs/dbraw/zinc/92/69/68/569926968.db2.gz XLTSIMNCRUGGDS-RPBOFIJWSA-N 0 0 458.562 5.724 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223910144 569926978 /nfs/dbraw/zinc/92/69/78/569926978.db2.gz GOSOPXOENPBQTJ-MRXNPFEDSA-N 0 0 451.394 5.049 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223909570 569926988 /nfs/dbraw/zinc/92/69/88/569926988.db2.gz PCNGLHCXOZBQNM-INIZCTEOSA-N 0 0 465.421 5.223 40 0 JKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 ZINC000223911524 569927033 /nfs/dbraw/zinc/92/70/33/569927033.db2.gz NUMIPUQMLGIIKN-UHFFFAOYSA-N 0 0 469.614 5.155 40 0 JKABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ncc(Cl)cc1Br ZINC000223912829 569927062 /nfs/dbraw/zinc/92/70/62/569927062.db2.gz DQRINFFQAIDQGN-UHFFFAOYSA-N 0 0 457.180 5.898 40 0 JKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223914398 569927066 /nfs/dbraw/zinc/92/70/66/569927066.db2.gz ZYUCODCGUFOHEW-CLJLJLNGSA-N 0 0 489.044 6.547 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223912842 569927073 /nfs/dbraw/zinc/92/70/73/569927073.db2.gz VQQHZWPRGXQOSK-KRWDZBQOSA-N 0 0 495.447 5.277 40 0 JKABRN CCCC[C@@H](CC)CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223914580 569927093 /nfs/dbraw/zinc/92/70/93/569927093.db2.gz WCTHYJKTRFFXMN-LJQANCHMSA-N 0 0 451.032 5.176 40 0 JKABRN CN(c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223920061 569927262 /nfs/dbraw/zinc/92/72/62/569927262.db2.gz YWYBFIWYDURVCK-UHFFFAOYSA-N 0 0 476.985 5.669 40 0 JKABRN COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223919046 569927282 /nfs/dbraw/zinc/92/72/82/569927282.db2.gz VTRXKMMCZMVTFQ-FTJBHMTQSA-N 0 0 498.608 5.371 40 0 JKABRN CN(c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223919559 569927285 /nfs/dbraw/zinc/92/72/85/569927285.db2.gz RLUSQWONNGZMHI-UHFFFAOYSA-N 0 0 492.000 5.403 40 0 JKABRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)c1 ZINC000223918887 569927295 /nfs/dbraw/zinc/92/72/95/569927295.db2.gz OZJLZDZUIRDVSD-IZZNHLLZSA-N 0 0 498.608 5.371 40 0 JKABRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)o2)cc1 ZINC000223918697 569927304 /nfs/dbraw/zinc/92/73/04/569927304.db2.gz ARXKZZYCNXXMLJ-IZZNHLLZSA-N 0 0 498.608 5.371 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223919908 569927309 /nfs/dbraw/zinc/92/73/09/569927309.db2.gz KJUPZDWHRJVLPU-GFCCVEGCSA-N 0 0 462.204 5.396 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223920573 569927319 /nfs/dbraw/zinc/92/73/19/569927319.db2.gz AZTSUQPPTIBMJM-QGZVFWFLSA-N 0 0 495.845 5.042 40 0 JKABRN Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1NS(=O)(=O)c1ccccc1 ZINC000223920791 569927332 /nfs/dbraw/zinc/92/73/32/569927332.db2.gz IMOFSDXWAAIVPV-UHFFFAOYSA-N 0 0 484.990 5.220 40 0 JKABRN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000223920877 569927362 /nfs/dbraw/zinc/92/73/62/569927362.db2.gz LHLVFNMESJXVLU-GOSISDBHSA-N 0 0 460.665 5.027 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223922558 569927378 /nfs/dbraw/zinc/92/73/78/569927378.db2.gz DYMPXDBIOMQYRM-KRWDZBQOSA-N 0 0 467.462 5.397 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccc(Cl)cc1 ZINC000223922068 569927414 /nfs/dbraw/zinc/92/74/14/569927414.db2.gz WGHADVBOQVGPMV-ZDUSSCGKSA-N 0 0 459.826 5.292 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223924158 569927454 /nfs/dbraw/zinc/92/74/54/569927454.db2.gz OBFLEKHWRTUGQB-HNNXBMFYSA-N 0 0 467.824 5.665 40 0 JKABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)cc1 ZINC000223922806 569927460 /nfs/dbraw/zinc/92/74/60/569927460.db2.gz JDXWJNJZGNFVHT-UHFFFAOYSA-N 0 0 472.566 5.024 40 0 JKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1cccc(Cl)c1 ZINC000223922750 569927468 /nfs/dbraw/zinc/92/74/68/569927468.db2.gz FWTLXCVMQMLACC-CQSZACIVSA-N 0 0 473.853 5.433 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccc(Cl)cc1 ZINC000223923322 569927483 /nfs/dbraw/zinc/92/74/83/569927483.db2.gz ZSPVIPBBVLYSNY-AWEZNQCLSA-N 0 0 473.853 5.682 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223928368 569927551 /nfs/dbraw/zinc/92/75/51/569927551.db2.gz MIBOFRGXUSJODK-HSZRJFAPSA-N 0 0 463.449 5.958 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc2ccccc21 ZINC000223929186 569927607 /nfs/dbraw/zinc/92/76/07/569927607.db2.gz LQIDQOFUYKGNJQ-GOSISDBHSA-N 0 0 499.438 6.002 40 0 JKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223932278 569927651 /nfs/dbraw/zinc/92/76/51/569927651.db2.gz VBWAPBVTEYFXLI-SFHVURJKSA-N 0 0 461.433 5.629 40 0 JKABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223932067 569927658 /nfs/dbraw/zinc/92/76/58/569927658.db2.gz LLAAPIWALAFYQZ-MRXNPFEDSA-N 0 0 463.405 5.021 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223931778 569927665 /nfs/dbraw/zinc/92/76/65/569927665.db2.gz VLSGRTLONPOPDI-CQSZACIVSA-N 0 0 486.237 5.242 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223931394 569927690 /nfs/dbraw/zinc/92/76/90/569927690.db2.gz JIJSVQOHLCGHCC-HSZRJFAPSA-N 0 0 463.449 5.876 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl ZINC000223934534 569927696 /nfs/dbraw/zinc/92/76/96/569927696.db2.gz UJTRKLXRGXFYAA-MRXNPFEDSA-N 0 0 481.851 6.056 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223933643 569927702 /nfs/dbraw/zinc/92/77/02/569927702.db2.gz DMIBQYGKMJJEEJ-OAHLLOKOSA-N 0 0 483.859 5.138 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223933697 569927708 /nfs/dbraw/zinc/92/77/08/569927708.db2.gz DMIBQYGKMJJEEJ-HNNXBMFYSA-N 0 0 483.859 5.138 40 0 JKABRN Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223937044 569927754 /nfs/dbraw/zinc/92/77/54/569927754.db2.gz QROMCUYGOWDZHX-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223937183 569927770 /nfs/dbraw/zinc/92/77/70/569927770.db2.gz GPTPLIVKFRMDED-QGZVFWFLSA-N 0 0 463.405 5.157 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223934910 569927780 /nfs/dbraw/zinc/92/77/80/569927780.db2.gz IWCHSLWVJFDSOA-MRXNPFEDSA-N 0 0 497.886 5.528 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223936469 569927789 /nfs/dbraw/zinc/92/77/89/569927789.db2.gz USCNCWZPGDTDOC-HSZRJFAPSA-N 0 0 463.449 5.876 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1F ZINC000223936567 569927790 /nfs/dbraw/zinc/92/77/90/569927790.db2.gz ULRJVTSLYYUWDT-INIZCTEOSA-N 0 0 497.463 5.842 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223938924 569927806 /nfs/dbraw/zinc/92/78/06/569927806.db2.gz HHOGTAOIVAZQTQ-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1S(=O)(=O)Nc1ccccc1 ZINC000223938947 569927808 /nfs/dbraw/zinc/92/78/08/569927808.db2.gz PCHOWZOJFBYVCP-UHFFFAOYSA-N 0 0 456.523 5.948 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223940379 569927837 /nfs/dbraw/zinc/92/78/37/569927837.db2.gz JKSPESYKKPWAAQ-OAHLLOKOSA-N 0 0 483.823 5.502 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223937335 569927852 /nfs/dbraw/zinc/92/78/52/569927852.db2.gz DDFIGKIUVZWRQD-VWLOTQADSA-N 0 0 491.503 6.773 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1C ZINC000223941422 569927862 /nfs/dbraw/zinc/92/78/62/569927862.db2.gz SIKFTAZGUPHKFC-UHFFFAOYSA-N 0 0 480.630 5.211 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223941301 569927866 /nfs/dbraw/zinc/92/78/66/569927866.db2.gz FTHLETNKWQCNII-SANMLTNESA-N 0 0 499.482 6.803 40 0 JKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223941741 569927907 /nfs/dbraw/zinc/92/79/07/569927907.db2.gz XPFRLSDRLGWEFJ-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 ZINC000223942460 569927924 /nfs/dbraw/zinc/92/79/24/569927924.db2.gz ZQPJJUFPORSVJK-KRWDZBQOSA-N 0 0 479.473 5.952 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1c1ccc(N2CCOCC2)cc1 ZINC000223942180 569927945 /nfs/dbraw/zinc/92/79/45/569927945.db2.gz HPASSZGQJYJCBW-KAYWLYCHSA-N 0 0 487.673 5.402 40 0 JKABRN Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223942771 569927969 /nfs/dbraw/zinc/92/79/69/569927969.db2.gz VSMDXSJXOKMHSD-NSOVKSMOSA-N 0 0 495.652 5.194 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223943802 569927986 /nfs/dbraw/zinc/92/79/86/569927986.db2.gz UROZFJHSTAGFDB-NRFANRHFSA-N 0 0 469.840 5.913 40 0 JKABRN Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223943830 569927990 /nfs/dbraw/zinc/92/79/90/569927990.db2.gz NDMVFLFKYRFPBI-KAYWLYCHSA-N 0 0 499.615 5.025 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223947148 569928066 /nfs/dbraw/zinc/92/80/66/569928066.db2.gz NDSCRXUPCVHRSI-HSZRJFAPSA-N 0 0 477.070 5.306 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1c1ccc(N2CCOCC2)cc1 ZINC000223948579 569928135 /nfs/dbraw/zinc/92/81/35/569928135.db2.gz LRIZIOVCYGPABR-SVBPBHIXSA-N 0 0 482.609 5.355 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2C)cc1C ZINC000223948911 569928183 /nfs/dbraw/zinc/92/81/83/569928183.db2.gz DQPOPJWTSYEWLP-UHFFFAOYSA-N 0 0 485.609 5.651 40 0 JKABRN O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223953013 569928226 /nfs/dbraw/zinc/92/82/26/569928226.db2.gz LEQWBKFDOPIGJV-GOSISDBHSA-N 0 0 459.040 5.335 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954253 569928277 /nfs/dbraw/zinc/92/82/77/569928277.db2.gz ZECDGJSOXWUYOZ-CLJLJLNGSA-N 0 0 473.646 5.012 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954596 569928294 /nfs/dbraw/zinc/92/82/94/569928294.db2.gz JMCYPOFVCJIYDM-SXOMAYOGSA-N 0 0 487.673 5.402 40 0 JKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223955233 569928374 /nfs/dbraw/zinc/92/83/74/569928374.db2.gz DQYUEGNAVHPBFE-IBGZPJMESA-N 0 0 483.439 6.069 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 ZINC000223960052 569928468 /nfs/dbraw/zinc/92/84/68/569928468.db2.gz YDTSYMAUOMEAGA-RTBURBONSA-N 0 0 473.421 5.041 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 ZINC000223959929 569928493 /nfs/dbraw/zinc/92/84/93/569928493.db2.gz YDTSYMAUOMEAGA-MOPGFXCFSA-N 0 0 473.421 5.041 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223960930 569928518 /nfs/dbraw/zinc/92/85/18/569928518.db2.gz HTCHQOMFTGAFSJ-LJQANCHMSA-N 0 0 487.482 5.623 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1 ZINC000223962868 569928584 /nfs/dbraw/zinc/92/85/84/569928584.db2.gz SOBHXRKCGRHARC-SVBPBHIXSA-N 0 0 496.640 5.079 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000223963433 569928606 /nfs/dbraw/zinc/92/86/06/569928606.db2.gz OHAVEYINMXLJDS-PKTZIBPZSA-N 0 0 488.642 5.081 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccccc1 ZINC000223963390 569928617 /nfs/dbraw/zinc/92/86/17/569928617.db2.gz OYHWCANFYAMFOF-SFHVURJKSA-N 0 0 477.432 5.629 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1 ZINC000223963119 569928621 /nfs/dbraw/zinc/92/86/21/569928621.db2.gz OETIUQPUACSESA-SVBPBHIXSA-N 0 0 496.640 5.079 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1 ZINC000223963230 569928640 /nfs/dbraw/zinc/92/86/40/569928640.db2.gz OETIUQPUACSESA-RRPNLBNLSA-N 0 0 496.640 5.079 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000223963554 569928662 /nfs/dbraw/zinc/92/86/62/569928662.db2.gz OHAVEYINMXLJDS-DHIUTWEWSA-N 0 0 488.642 5.081 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccccc1 ZINC000223965309 569928726 /nfs/dbraw/zinc/92/87/26/569928726.db2.gz AHGRFEPNEAPBRC-AMGIVPHBSA-N 0 0 490.669 5.342 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223965463 569928741 /nfs/dbraw/zinc/92/87/41/569928741.db2.gz WXUQCQNIXYKRNP-KRWDZBQOSA-N 0 0 495.845 5.042 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc2ccccc21 ZINC000223966163 569928748 /nfs/dbraw/zinc/92/87/48/569928748.db2.gz PINBOEQIJMMYJP-GOSISDBHSA-N 0 0 499.438 6.002 40 0 JKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223965413 569928788 /nfs/dbraw/zinc/92/87/88/569928788.db2.gz WXUQCQNIXYKRNP-QGZVFWFLSA-N 0 0 495.845 5.042 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)ccc1Cl ZINC000223966613 569928838 /nfs/dbraw/zinc/92/88/38/569928838.db2.gz PQXNFKMIVSWPQV-MRXNPFEDSA-N 0 0 497.850 5.810 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000223969437 569928865 /nfs/dbraw/zinc/92/88/65/569928865.db2.gz UTJQJMFBRQFFLP-FIPFOOKPSA-N 0 0 472.629 5.183 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 ZINC000223970781 569928935 /nfs/dbraw/zinc/92/89/35/569928935.db2.gz PLJIEZQHPIJFAG-IZZNHLLZSA-N 0 0 473.646 5.751 40 0 JKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCCC3)c2C)cc1 ZINC000223971009 569928957 /nfs/dbraw/zinc/92/89/57/569928957.db2.gz WPXBWTPXYYKKOU-RRPNLBNLSA-N 0 0 487.673 6.141 40 0 JKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ncc(Br)cc1Br ZINC000223970657 569928984 /nfs/dbraw/zinc/92/89/84/569928984.db2.gz DOYXVKVHGFTEGA-UHFFFAOYSA-N 0 0 469.246 5.405 40 0 JKABRN Cc1c(Br)cnc(NC(=S)NCC2(c3ccccc3)CCCC2)c1Br ZINC000223972071 569928996 /nfs/dbraw/zinc/92/89/96/569928996.db2.gz OQOZMWSKFZHWER-UHFFFAOYSA-N 0 0 483.273 5.713 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2C)c(C)c1 ZINC000223973316 569929000 /nfs/dbraw/zinc/92/90/00/569929000.db2.gz PKRCJDXXIPCDLN-UHFFFAOYSA-N 0 0 470.594 5.917 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223973395 569929002 /nfs/dbraw/zinc/92/90/02/569929002.db2.gz UVVGYNJVOBHKRZ-MRXNPFEDSA-N 0 0 491.415 5.131 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223973199 569929027 /nfs/dbraw/zinc/92/90/27/569929027.db2.gz SFYBWWJILJVLSF-AREMUKBSSA-N 0 0 466.666 5.649 40 0 JKABRN CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000223973234 569929028 /nfs/dbraw/zinc/92/90/28/569929028.db2.gz ZSTIXCKIEIYTGZ-UHFFFAOYSA-N 0 0 480.630 5.174 40 0 JKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 ZINC000223974236 569929086 /nfs/dbraw/zinc/92/90/86/569929086.db2.gz KUFTXFMSGYINEA-UHFFFAOYSA-N 0 0 471.674 5.207 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000223974512 569929104 /nfs/dbraw/zinc/92/91/04/569929104.db2.gz UJKHSKXDWGARRV-HNNXBMFYSA-N 0 0 483.823 5.502 40 0 JKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 ZINC000223975188 569929112 /nfs/dbraw/zinc/92/91/12/569929112.db2.gz AIUURQBPWASQIJ-UHFFFAOYSA-N 0 0 452.627 6.777 40 0 JKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223975073 569929122 /nfs/dbraw/zinc/92/91/22/569929122.db2.gz BNEWZVMLGXPYOB-SFHVURJKSA-N 0 0 489.454 5.069 40 0 JKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ncc(Br)cc1Cl ZINC000223975468 569929142 /nfs/dbraw/zinc/92/91/42/569929142.db2.gz JGSPOHCYASGENO-UHFFFAOYSA-N 0 0 459.240 5.949 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000223975888 569929146 /nfs/dbraw/zinc/92/91/46/569929146.db2.gz AARVLLMZQRAHOF-OAHLLOKOSA-N 0 0 467.824 5.665 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223974853 569929159 /nfs/dbraw/zinc/92/91/59/569929159.db2.gz VBRHPVJXXLBCAM-DEOSSOPVSA-N 0 0 475.029 5.231 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000223977439 569929167 /nfs/dbraw/zinc/92/91/67/569929167.db2.gz XCWUAOBRHPIWEI-OAHLLOKOSA-N 0 0 483.823 5.502 40 0 JKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccc(Cl)cc1 ZINC000223978363 569929172 /nfs/dbraw/zinc/92/91/72/569929172.db2.gz VUQKEGREVMWEJQ-HNNXBMFYSA-N 0 0 499.891 6.215 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223977644 569929185 /nfs/dbraw/zinc/92/91/85/569929185.db2.gz YJMKHDMEHXCTEX-DEOSSOPVSA-N 0 0 499.438 5.539 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223979242 569929219 /nfs/dbraw/zinc/92/92/19/569929219.db2.gz QLFOWIYASREENR-SANMLTNESA-N 0 0 495.088 5.740 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccccc1C ZINC000223978656 569929220 /nfs/dbraw/zinc/92/92/20/569929220.db2.gz UUCZWDHKDLWPNE-HHHXNRCGSA-N 0 0 474.670 5.395 40 0 JKABRN Cc1ccccc1CSCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1 ZINC000223978685 569929223 /nfs/dbraw/zinc/92/92/23/569929223.db2.gz VHVURSUDWWBIIE-GOSISDBHSA-N 0 0 493.500 6.011 40 0 JKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(N2CCc3ccccc3C2)nc1 ZINC000223979191 569929235 /nfs/dbraw/zinc/92/92/35/569929235.db2.gz LNXGOOLBUWYMEU-UHFFFAOYSA-N 0 0 477.077 6.096 40 0 JKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1 ZINC000223978554 569929241 /nfs/dbraw/zinc/92/92/41/569929241.db2.gz ZRTQFVPKSVAFEU-QGZVFWFLSA-N 0 0 479.473 5.703 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223979379 569929271 /nfs/dbraw/zinc/92/92/71/569929271.db2.gz 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/nfs/dbraw/zinc/93/08/12/569930812.db2.gz DEQVZYUHCUSFNM-QHCPKHFHSA-N 0 0 475.029 5.068 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCSCc1ccccc1 ZINC000224021684 569930856 /nfs/dbraw/zinc/93/08/56/569930856.db2.gz CTRVBVUUGYLGME-DEOSSOPVSA-N 0 0 456.652 5.042 40 0 JKABRN S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1ccc(N2CCc3ccccc3C2)nc1 ZINC000224023282 569930919 /nfs/dbraw/zinc/93/09/19/569930919.db2.gz TXNBMABEOOZRPN-UHFFFAOYSA-N 0 0 493.076 5.333 40 0 JKABRN CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224025366 569930983 /nfs/dbraw/zinc/93/09/83/569930983.db2.gz UIIJEOCKFVDWJI-FTJBHMTQSA-N 0 0 484.581 5.177 40 0 JKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224025415 569931013 /nfs/dbraw/zinc/93/10/13/569931013.db2.gz UIIJEOCKFVDWJI-IZZNHLLZSA-N 0 0 484.581 5.177 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc3ccccc3c2)N1c1ccc2c(c1)OCO2 ZINC000224027212 569931039 /nfs/dbraw/zinc/93/10/39/569931039.db2.gz UUKRNMUEZGTJIY-WUFINQPMSA-N 0 0 490.588 5.931 40 0 JKABRN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000224028368 569931094 /nfs/dbraw/zinc/93/10/94/569931094.db2.gz SCHSHOJDUJDMME-UHFFFAOYSA-N 0 0 454.979 5.019 40 0 JKABRN Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1 ZINC000224028403 569931103 /nfs/dbraw/zinc/93/11/03/569931103.db2.gz UWMMCYIUYRYFSF-RPWUZVMVSA-N 0 0 459.502 5.387 40 0 JKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1c1ccc2c(c1)OCO2 ZINC000224028698 569931105 /nfs/dbraw/zinc/93/11/05/569931105.db2.gz AFTLRLWQHVFTGV-ZEQRLZLVSA-N 0 0 475.957 5.901 40 0 JKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000224027852 569931112 /nfs/dbraw/zinc/93/11/12/569931112.db2.gz QIKJTLSNQONLKE-UHFFFAOYSA-N 0 0 468.962 5.666 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc21 ZINC000224028298 569931128 /nfs/dbraw/zinc/93/11/28/569931128.db2.gz XNJVIQPACIXBOZ-HHHXNRCGSA-N 0 0 460.618 5.505 40 0 JKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1c1ccc2c(c1)OCO2 ZINC000224028750 569931148 /nfs/dbraw/zinc/93/11/48/569931148.db2.gz AFTLRLWQHVFTGV-RPWUZVMVSA-N 0 0 475.957 5.901 40 0 JKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1 ZINC000224029420 569931161 /nfs/dbraw/zinc/93/11/61/569931161.db2.gz BBJJHKGICGBMKW-IZZNHLLZSA-N 0 0 485.565 5.646 40 0 JKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000224030593 569931202 /nfs/dbraw/zinc/93/12/02/569931202.db2.gz WKVRFIBOBFQKBR-FQEVSTJZSA-N 0 0 470.613 6.521 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000224031271 569931213 /nfs/dbraw/zinc/93/12/13/569931213.db2.gz RRSZFFDRGTYYGD-QFIPXVFZSA-N 0 0 465.421 5.268 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000224030876 569931223 /nfs/dbraw/zinc/93/12/23/569931223.db2.gz OUJXOLQKTCGOTA-QFIPXVFZSA-N 0 0 465.421 5.268 40 0 JKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 ZINC000224031178 569931242 /nfs/dbraw/zinc/93/12/42/569931242.db2.gz OXWWIVOUEWTXNX-JWQCQUIFSA-N 0 0 489.984 6.209 40 0 JKABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1Cl ZINC000224032920 569931248 /nfs/dbraw/zinc/93/12/48/569931248.db2.gz QRAMUIAVJYQRIS-RPBOFIJWSA-N 0 0 489.984 6.209 40 0 JKABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000224034243 569931315 /nfs/dbraw/zinc/93/13/15/569931315.db2.gz AWBYEIODDSUGLY-HSZRJFAPSA-N 0 0 461.071 5.588 40 0 JKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000224035263 569931338 /nfs/dbraw/zinc/93/13/38/569931338.db2.gz IMLDILFRBRQAQF-SXOMAYOGSA-N 0 0 482.609 5.703 40 0 JKABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1c(F)cccc1Cl ZINC000224035192 569931346 /nfs/dbraw/zinc/93/13/46/569931346.db2.gz OEBZOCYBTJDJKP-QHCPKHFHSA-N 0 0 479.061 5.479 40 0 JKABRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)cc1Cl ZINC000224038812 569931464 /nfs/dbraw/zinc/93/14/64/569931464.db2.gz NHXIWPBIKYZSMU-PMACEKPBSA-N 0 0 460.024 5.307 40 0 JKABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 ZINC000224037800 569931473 /nfs/dbraw/zinc/93/14/73/569931473.db2.gz YSOOUIYZWYSYGF-JWQCQUIFSA-N 0 0 499.548 5.034 40 0 JKABRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1Cl ZINC000224039089 569931492 /nfs/dbraw/zinc/93/14/92/569931492.db2.gz KIUPYAIDYMFWJX-NHCUHLMSSA-N 0 0 460.024 5.307 40 0 JKABRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1Cl ZINC000224039041 569931497 /nfs/dbraw/zinc/93/14/97/569931497.db2.gz KIUPYAIDYMFWJX-LEWJYISDSA-N 0 0 460.024 5.307 40 0 JKABRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)cc1Cl ZINC000224038717 569931500 /nfs/dbraw/zinc/93/15/00/569931500.db2.gz NHXIWPBIKYZSMU-VQTJNVASSA-N 0 0 460.024 5.307 40 0 JKABRN COc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224039552 569931543 /nfs/dbraw/zinc/93/15/43/569931543.db2.gz GXSDKYVRNXIZIQ-OAQYLSRUSA-N 0 0 450.623 5.227 40 0 JKABRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1Cl ZINC000224041737 569931559 /nfs/dbraw/zinc/93/15/59/569931559.db2.gz LHYRMCRSDHGVSY-GOTSBHOMSA-N 0 0 471.026 5.320 40 0 JKABRN COc1cccc(CN(C(=O)CCCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224042190 569931566 /nfs/dbraw/zinc/93/15/66/569931566.db2.gz IUCAFSUSLBPCHD-IBGZPJMESA-N 0 0 489.081 5.697 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc(C)c1Cl ZINC000224041965 569931567 /nfs/dbraw/zinc/93/15/67/569931567.db2.gz BNLUVZUCIQQGER-KRWDZBQOSA-N 0 0 465.421 5.321 40 0 JKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000224042101 569931586 /nfs/dbraw/zinc/93/15/86/569931586.db2.gz QZZMTYKVPYGHHO-SFHVURJKSA-N 0 0 459.030 5.348 40 0 JKABRN COc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224044585 569931621 /nfs/dbraw/zinc/93/16/21/569931621.db2.gz SHHOIJGMCJBZPS-INIZCTEOSA-N 0 0 463.405 5.021 40 0 JKABRN COc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224044979 569931623 /nfs/dbraw/zinc/93/16/23/569931623.db2.gz MKYLXNZKXRZAPC-INIZCTEOSA-N 0 0 463.405 5.021 40 0 JKABRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1Cl ZINC000224044412 569931625 /nfs/dbraw/zinc/93/16/25/569931625.db2.gz VXAUFPWMPZBKJE-RPBOFIJWSA-N 0 0 497.064 5.691 40 0 JKABRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1Cl ZINC000224044366 569931637 /nfs/dbraw/zinc/93/16/37/569931637.db2.gz VXAUFPWMPZBKJE-DQEYMECFSA-N 0 0 497.064 5.691 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(F)cc1 ZINC000224044553 569931654 /nfs/dbraw/zinc/93/16/54/569931654.db2.gz QJTBFORPMMSLMN-MRXNPFEDSA-N 0 0 451.007 5.044 40 0 JKABRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1Cl ZINC000224047942 569931665 /nfs/dbraw/zinc/93/16/65/569931665.db2.gz ZGBVAJVAHSPOJA-GOTSBHOMSA-N 0 0 485.053 5.494 40 0 JKABRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1Cl ZINC000224047700 569931670 /nfs/dbraw/zinc/93/16/70/569931670.db2.gz GZGXHKGIXWQCLQ-DQEYMECFSA-N 0 0 497.064 5.854 40 0 JKABRN COc1ccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224047350 569931674 /nfs/dbraw/zinc/93/16/74/569931674.db2.gz FCWXNBJPOCSPTJ-OAQYLSRUSA-N 0 0 468.663 5.021 40 0 JKABRN COc1ccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224047423 569931700 /nfs/dbraw/zinc/93/17/00/569931700.db2.gz BUHQCNNZWHPBMD-SFHVURJKSA-N 0 0 475.054 5.058 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 ZINC000224051864 569931768 /nfs/dbraw/zinc/93/17/68/569931768.db2.gz ZCJWDYVASWNDQB-NDEPHWFRSA-N 0 0 472.629 5.157 40 0 JKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000224051852 569931776 /nfs/dbraw/zinc/93/17/76/569931776.db2.gz BHGZDASHCYJCKD-CQSZACIVSA-N 0 0 455.813 5.521 40 0 JKABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000224050029 569931779 /nfs/dbraw/zinc/93/17/79/569931779.db2.gz QLOMFSJWNKKLQV-UHFFFAOYSA-N 0 0 470.978 5.733 40 0 JKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2O1 ZINC000224050697 569931790 /nfs/dbraw/zinc/93/17/90/569931790.db2.gz QKIRCZHDYHZLGQ-QHCPKHFHSA-N 0 0 478.614 5.608 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000224050458 569931814 /nfs/dbraw/zinc/93/18/14/569931814.db2.gz CTEQQWBHTCFNTQ-MUUNZHRXSA-N 0 0 456.630 5.402 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc21 ZINC000224054952 569931906 /nfs/dbraw/zinc/93/19/06/569931906.db2.gz HABQSFIJCZHMAF-LJAQVGFWSA-N 0 0 494.635 5.693 40 0 JKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 ZINC000224056134 569931919 /nfs/dbraw/zinc/93/19/19/569931919.db2.gz ULKKGGKTFRVQMT-NDEPHWFRSA-N 0 0 488.697 5.785 40 0 JKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 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CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)c(C)c1 ZINC000225545155 570004455 /nfs/dbraw/zinc/00/44/55/570004455.db2.gz XTSYGVVGGKJAOM-AUSIDOKSSA-N 0 0 489.454 5.167 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 ZINC000225545671 570004475 /nfs/dbraw/zinc/00/44/75/570004475.db2.gz KIIQTVGRMWJDOF-SANMLTNESA-N 0 0 495.088 5.907 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000225546394 570004547 /nfs/dbraw/zinc/00/45/47/570004547.db2.gz IAGSNJCRLWXBEA-KAYWLYCHSA-N 0 0 487.673 5.562 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000225546639 570004553 /nfs/dbraw/zinc/00/45/53/570004553.db2.gz JEODESKVMDKGHH-REWPJTCUSA-N 0 0 459.030 5.366 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000225546533 570004558 /nfs/dbraw/zinc/00/45/58/570004558.db2.gz JLAHKXJWGXIKTB-JWQCQUIFSA-N 0 0 475.662 5.202 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000225546294 570004564 /nfs/dbraw/zinc/00/45/64/570004564.db2.gz IAGSNJCRLWXBEA-SVBPBHIXSA-N 0 0 487.673 5.562 40 0 JKABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000225546184 570004570 /nfs/dbraw/zinc/00/45/70/570004570.db2.gz YDOIPZZRXLNJLZ-SXOMAYOGSA-N 0 0 499.640 5.088 40 0 JKABRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl ZINC000408667722 570005430 /nfs/dbraw/zinc/00/54/30/570005430.db2.gz KBYUWZRQZSUTDU-UHFFFAOYSA-N 0 0 451.531 5.513 40 0 JKABRN O=C(COC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000408666377 570004700 /nfs/dbraw/zinc/00/47/00/570004700.db2.gz ZCNDTOHQQRWNOF-UHFFFAOYSA-N 0 0 471.340 5.620 40 0 JKABRN O=C(CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408666398 570004713 /nfs/dbraw/zinc/00/47/13/570004713.db2.gz HUVSQNVVCNXWCA-UHFFFAOYSA-N 0 0 497.684 5.566 40 0 JKABRN O=C(CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1cccc2ccccc21 ZINC000408666486 570004714 /nfs/dbraw/zinc/00/47/14/570004714.db2.gz ZSFPNGXQWASLRM-UHFFFAOYSA-N 0 0 468.509 5.533 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)cc(C)c1Br ZINC000225548503 570004755 /nfs/dbraw/zinc/00/47/55/570004755.db2.gz NDXNAWFCEFVITD-QGZVFWFLSA-N 0 0 495.845 5.040 40 0 JKABRN Cc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)cc(C)c1Br ZINC000225548468 570004774 /nfs/dbraw/zinc/00/47/74/570004774.db2.gz NDXNAWFCEFVITD-KRWDZBQOSA-N 0 0 495.845 5.040 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000225549723 570004852 /nfs/dbraw/zinc/00/48/52/570004852.db2.gz LTCWOVQVBMOPIV-VWLOTQADSA-N 0 0 499.051 5.407 40 0 JKABRN Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000408666695 570004891 /nfs/dbraw/zinc/00/48/91/570004891.db2.gz OSNJMGIRDZTJBW-UHFFFAOYSA-N 0 0 460.530 5.386 40 0 JKABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1OCC ZINC000225550939 570004955 /nfs/dbraw/zinc/00/49/55/570004955.db2.gz XQGCRSUYVAQGIT-IBGZPJMESA-N 0 0 475.029 5.012 40 0 JKABRN Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3C)cc2)c1C ZINC000408667020 570004949 /nfs/dbraw/zinc/00/49/49/570004949.db2.gz ISCPTDZDYVJMKQ-UHFFFAOYSA-N 0 0 460.530 5.305 40 0 JKABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000225549959 570005026 /nfs/dbraw/zinc/00/50/26/570005026.db2.gz XLPVPSRHFMLUDG-OAQYLSRUSA-N 0 0 463.021 5.804 40 0 JKABRN COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3c(C)cccc3C)cc2)c1 ZINC000408667122 570005058 /nfs/dbraw/zinc/00/50/58/570005058.db2.gz JIBGGYGHRQPVMX-UHFFFAOYSA-N 0 0 476.529 5.005 40 0 JKABRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(Cl)c3C)c2C)cc1 ZINC000408667079 570005126 /nfs/dbraw/zinc/00/51/26/570005126.db2.gz JANHMPZEUXOMCQ-UHFFFAOYSA-N 0 0 458.945 6.276 40 0 JKABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccc(OC)c(C)c1 ZINC000225552628 570005114 /nfs/dbraw/zinc/00/51/14/570005114.db2.gz AIZNEQYLMRPPMF-QFIPXVFZSA-N 0 0 479.042 5.103 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1Cl ZINC000408667230 570005167 /nfs/dbraw/zinc/00/51/67/570005167.db2.gz PSQAMPHCIQIIAZ-VWQFJMCTSA-N 0 0 486.008 6.062 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1Cl ZINC000408667235 570005188 /nfs/dbraw/zinc/00/51/88/570005188.db2.gz PSQAMPHCIQIIAZ-WSCWJOSJSA-N 0 0 486.008 6.062 40 0 JKABRN COc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 ZINC000408667209 570005197 /nfs/dbraw/zinc/00/51/97/570005197.db2.gz PQWJMTUDKQLFBJ-NSXLHWASSA-N 0 0 467.562 5.108 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000225553119 570005192 /nfs/dbraw/zinc/00/51/92/570005192.db2.gz AYYSKDFHHDVDDC-WZONZLPQSA-N 0 0 495.516 6.257 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000225554106 570005329 /nfs/dbraw/zinc/00/53/29/570005329.db2.gz OAUXQAYCCDPSGE-XUZZJYLKSA-N 0 0 452.639 5.393 40 0 JKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1 ZINC000408667389 570005354 /nfs/dbraw/zinc/00/53/54/570005354.db2.gz QPDYPEMJRCYFAI-LLBVYWAGSA-N 0 0 455.526 5.239 40 0 JKABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000225556050 570005376 /nfs/dbraw/zinc/00/53/76/570005376.db2.gz MJZSCQPACFJTBI-MRXNPFEDSA-N 0 0 453.435 5.169 40 0 JKABRN CCc1ccc(CC)c(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000225555711 570005410 /nfs/dbraw/zinc/00/54/10/570005410.db2.gz AECCBXWTOIGGEP-UHFFFAOYSA-N 0 0 499.076 5.593 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)COC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc21 ZINC000408667766 570005523 /nfs/dbraw/zinc/00/55/23/570005523.db2.gz KQCJOSGPCGLPEP-UHFFFAOYSA-N 0 0 474.944 5.976 40 0 JKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1Cl ZINC000225557945 570005558 /nfs/dbraw/zinc/00/55/58/570005558.db2.gz WQTUFBHVGDGATQ-HNNXBMFYSA-N 0 0 470.824 6.901 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000225558104 570005572 /nfs/dbraw/zinc/00/55/72/570005572.db2.gz LXVKGLAZLBLALW-XXBNENTESA-N 0 0 461.071 5.604 40 0 JKABRN Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc(C)c1OCc1ccccc1 ZINC000225557821 570005582 /nfs/dbraw/zinc/00/55/82/570005582.db2.gz FUDYWJOHUJOFDE-UHFFFAOYSA-N 0 0 482.451 8.030 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000225557943 570005599 /nfs/dbraw/zinc/00/55/99/570005599.db2.gz GZJIEJKPUUMRNF-WMZHIEFXSA-N 0 0 461.071 5.604 40 0 JKABRN Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 ZINC000408667934 570005636 /nfs/dbraw/zinc/00/56/36/570005636.db2.gz SFYGEBFDRKITAL-UHFFFAOYSA-N 0 0 494.975 6.040 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000225559388 570005685 /nfs/dbraw/zinc/00/56/85/570005685.db2.gz UCPORVKFJJKETL-MBSDFSHPSA-N 0 0 479.061 5.743 40 0 JKABRN COc1ccc(NC(=O)c2cccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)c(OC)c1 ZINC000408668029 570005705 /nfs/dbraw/zinc/00/57/05/570005705.db2.gz CGCZBQCRTVSIKU-UHFFFAOYSA-N 0 0 471.296 5.064 40 0 JKABRN O=C(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408668394 570005890 /nfs/dbraw/zinc/00/58/90/570005890.db2.gz LAEGJXUUZBNKSU-UHFFFAOYSA-N 0 0 457.357 5.178 40 0 JKABRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000408668389 570005914 /nfs/dbraw/zinc/00/59/14/570005914.db2.gz SOTPPJKIWRVNTR-UHFFFAOYSA-N 0 0 480.948 5.731 40 0 JKABRN O=C(CCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000408668471 570005920 /nfs/dbraw/zinc/00/59/20/570005920.db2.gz UAKSAWCRCQIXJT-UHFFFAOYSA-N 0 0 487.339 5.686 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000225564581 570005969 /nfs/dbraw/zinc/00/59/69/570005969.db2.gz FFRCSQHGVKSEHA-AREMUKBSSA-N 0 0 479.020 5.194 40 0 JKABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 ZINC000225563731 570005982 /nfs/dbraw/zinc/00/59/82/570005982.db2.gz YKGGTPSIYCIRDS-LEWJYISDSA-N 0 0 457.024 5.106 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 ZINC000225566776 570006135 /nfs/dbraw/zinc/00/61/35/570006135.db2.gz MTIGBPFRNFBJPC-SANMLTNESA-N 0 0 460.643 5.004 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000225566169 570006150 /nfs/dbraw/zinc/00/61/50/570006150.db2.gz JIFBDOMFNDOHEG-VWLOTQADSA-N 0 0 479.020 5.030 40 0 JKABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000408668729 570006210 /nfs/dbraw/zinc/00/62/10/570006210.db2.gz QZCFYKXQOHOQTP-SFHVURJKSA-N 0 0 478.386 5.734 40 0 JKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc2ccccc21 ZINC000408669059 570006226 /nfs/dbraw/zinc/00/62/26/570006226.db2.gz WAOKXGLFXUEIHM-NTOOTBGVSA-N 0 0 487.596 6.253 40 0 JKABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000225567459 570006251 /nfs/dbraw/zinc/00/62/51/570006251.db2.gz VQNHVWLYNGBMEN-VSGBNLITSA-N 0 0 495.652 5.490 40 0 JKABRN 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UMILYJZKYZEAOR-WMZHIEFXSA-N 0 0 473.057 5.738 40 0 JKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 ZINC000225639104 570011422 /nfs/dbraw/zinc/01/14/22/570011422.db2.gz MBSSXJBGRLALMX-WMZHIEFXSA-N 0 0 461.071 5.604 40 0 JKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1C ZINC000408678905 570011495 /nfs/dbraw/zinc/01/14/95/570011495.db2.gz JPPJFCIXUXJRBG-QGZVFWFLSA-N 0 0 458.967 5.164 40 0 JKABRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408678835 570011507 /nfs/dbraw/zinc/01/15/07/570011507.db2.gz DKXJQQKPBJLFOO-HZPDHXFCSA-N 0 0 465.764 5.379 40 0 JKABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)cc1 ZINC000408678911 570011520 /nfs/dbraw/zinc/01/15/20/570011520.db2.gz KDXWPRLBVZQWFT-UHFFFAOYSA-N 0 0 498.695 5.599 40 0 JKABRN CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000225640647 570011521 /nfs/dbraw/zinc/01/15/21/570011521.db2.gz AOKBDGLJGWWBEG-MRXNPFEDSA-N 0 0 498.410 5.049 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000225641232 570011532 /nfs/dbraw/zinc/01/15/32/570011532.db2.gz MAFVHJWKJPBPFJ-VFNWGFHPSA-N 0 0 453.385 5.397 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000225641049 570011546 /nfs/dbraw/zinc/01/15/46/570011546.db2.gz HTPHAHGVAGNBRL-QVKFZJNVSA-N 0 0 469.840 5.911 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1F ZINC000225640748 570011561 /nfs/dbraw/zinc/01/15/61/570011561.db2.gz BSFIBOLXNPBYGU-XMMPIXPASA-N 0 0 485.024 5.098 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc21 ZINC000225640639 570011566 /nfs/dbraw/zinc/01/15/66/570011566.db2.gz DFBNXSITKMOOOK-NDEPHWFRSA-N 0 0 485.027 5.812 40 0 JKABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1F ZINC000225640775 570011570 /nfs/dbraw/zinc/01/15/70/570011570.db2.gz BSFIBOLXNPBYGU-DEOSSOPVSA-N 0 0 485.024 5.098 40 0 JKABRN Cc1cccc2c(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)cc(-c3ccccc3)nc12 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OMYKAXMUAXQHKA-VWLOTQADSA-N 0 0 481.061 5.268 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000225643154 570011773 /nfs/dbraw/zinc/01/17/73/570011773.db2.gz MVROPGNREHBMFW-IERDGZPVSA-N 0 0 451.007 5.293 40 0 JKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000225643183 570011797 /nfs/dbraw/zinc/01/17/97/570011797.db2.gz MVROPGNREHBMFW-KKSFZXQISA-N 0 0 451.007 5.293 40 0 JKABRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000408679702 570011827 /nfs/dbraw/zinc/01/18/27/570011827.db2.gz GYTFQGPKDBHOGD-ISKFKSNPSA-N 0 0 479.536 5.037 40 0 JKABRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@H]2C1 ZINC000408679710 570011884 /nfs/dbraw/zinc/01/18/84/570011884.db2.gz GYTFQGPKDBHOGD-VWNXMTODSA-N 0 0 479.536 5.037 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000225643802 570011892 /nfs/dbraw/zinc/01/18/92/570011892.db2.gz UTUGANAHCFCEFK-VGOFRKELSA-N 0 0 465.034 5.434 40 0 JKABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000225644030 570011916 /nfs/dbraw/zinc/01/19/16/570011916.db2.gz XOWNCSUIWSRMKY-RUZDIDTESA-N 0 0 481.061 5.517 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000225644327 570011939 /nfs/dbraw/zinc/01/19/39/570011939.db2.gz HBNHZSXFGIBUFP-VGSWGCGISA-N 0 0 465.034 5.683 40 0 JKABRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2Cl)C(=O)c2ccccc2)cc1 ZINC000408680025 570011949 /nfs/dbraw/zinc/01/19/49/570011949.db2.gz FVBLQCIIENQQEQ-JOCHJYFZSA-N 0 0 461.366 5.600 40 0 JKABRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)N(C)C5CCCCC5)cc4)c3)C(=O)[C@H]2C1 ZINC000408679884 570011961 /nfs/dbraw/zinc/01/19/61/570011961.db2.gz HHGMKHXVEPTEON-UIOOFZCWSA-N 0 0 499.611 5.189 40 0 JKABRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)N(C)C5CCCCC5)cc4)c3)C(=O)[C@@H]2C1 ZINC000408679878 570011990 /nfs/dbraw/zinc/01/19/90/570011990.db2.gz HHGMKHXVEPTEON-CLJLJLNGSA-N 0 0 499.611 5.189 40 0 JKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000225644628 570012022 /nfs/dbraw/zinc/01/20/22/570012022.db2.gz IQQBXJJSXPJYMH-OPAMFIHVSA-N 0 0 499.479 6.088 40 0 JKABRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)c1 ZINC000225644380 570012023 /nfs/dbraw/zinc/01/20/23/570012023.db2.gz PWABKIBYKKDANK-VSGBNLITSA-N 0 0 495.652 5.490 40 0 JKABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)S(C)(=O)=O ZINC000225645082 570012027 /nfs/dbraw/zinc/01/20/27/570012027.db2.gz DZEPXXNINYRGAQ-UHFFFAOYSA-N 0 0 460.958 5.314 40 0 JKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000225645186 570012046 /nfs/dbraw/zinc/01/20/46/570012046.db2.gz JFCRDGUGZGICAQ-ZHRRBRCNSA-N 0 0 483.024 5.574 40 0 JKABRN CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000225646101 570012160 /nfs/dbraw/zinc/01/21/60/570012160.db2.gz CTTXFANYTXLUIH-HNNXBMFYSA-N 0 0 471.425 5.308 40 0 JKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000408680399 570012184 /nfs/dbraw/zinc/01/21/84/570012184.db2.gz YQTCGUPANUMQSH-UHFFFAOYSA-N 0 0 453.325 6.133 40 0 JKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000408680437 570012192 /nfs/dbraw/zinc/01/21/92/570012192.db2.gz YZASWOICLMIAHI-UHFFFAOYSA-N 0 0 478.573 6.588 40 0 JKABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000225649260 570012238 /nfs/dbraw/zinc/01/22/38/570012238.db2.gz AIXZKUPSXSGJQY-MHZLTWQESA-N 0 0 493.047 5.448 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2C)cc1C ZINC000225649518 570012242 /nfs/dbraw/zinc/01/22/42/570012242.db2.gz DVEMOVXOTFUMIW-UHFFFAOYSA-N 0 0 476.649 5.017 40 0 JKABRN CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000225649093 570012284 /nfs/dbraw/zinc/01/22/84/570012284.db2.gz UGPXLJHRBVDRRV-GOSISDBHSA-N 0 0 471.428 6.021 40 0 JKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c(C)c1 ZINC000408680554 570012299 /nfs/dbraw/zinc/01/22/99/570012299.db2.gz NJXCMFMKBSBOBA-KRWDZBQOSA-N 0 0 458.967 5.164 40 0 JKABRN COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1S(=O)(=O)NC1CCCCC1 ZINC000408680502 570012345 /nfs/dbraw/zinc/01/23/45/570012345.db2.gz ZOFVKGNGGUKZCH-UHFFFAOYSA-N 0 0 496.654 5.710 40 0 JKABRN CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000225650469 570012354 /nfs/dbraw/zinc/01/23/54/570012354.db2.gz UNXJYGFSCXIROD-ZDUSSCGKSA-N 0 0 476.231 5.785 40 0 JKABRN CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000225649892 570012359 /nfs/dbraw/zinc/01/23/59/570012359.db2.gz INURAHWPBQSJJH-KRWDZBQOSA-N 0 0 465.421 5.438 40 0 JKABRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 ZINC000225651613 570012373 /nfs/dbraw/zinc/01/23/73/570012373.db2.gz OJJXESWCARETPC-SVBPBHIXSA-N 0 0 481.625 5.182 40 0 JKABRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408681217 570012414 /nfs/dbraw/zinc/01/24/14/570012414.db2.gz HJGKLMABYOBNFQ-JOCHJYFZSA-N 0 0 467.801 6.743 40 0 JKABRN 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CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500498 570102005 /nfs/dbraw/zinc/10/20/05/570102005.db2.gz RSYHNGGXDMIRBQ-VWNXMTODSA-N 0 0 480.657 5.211 40 0 JKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1Cl ZINC000409018499 570102104 /nfs/dbraw/zinc/10/21/04/570102104.db2.gz HOIUHRFSMHOKJW-FGHSJCFPSA-N 0 0 454.350 6.546 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409018866 570102288 /nfs/dbraw/zinc/10/22/88/570102288.db2.gz ZOLMPEIXGFSDOP-RGVLZGJSSA-N 0 0 469.324 5.678 40 0 JKABRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2Br)C1=O ZINC000409018740 570102335 /nfs/dbraw/zinc/10/23/35/570102335.db2.gz YXDDPRUHGYHJHJ-HXJASHHUSA-N 0 0 476.392 5.872 40 0 JKABRN Cc1cc(C)cc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000409019213 570102459 /nfs/dbraw/zinc/10/24/59/570102459.db2.gz YKGYOQOVVMPVKL-UHFFFAOYSA-N 0 0 491.440 5.482 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409019873 570102596 /nfs/dbraw/zinc/10/25/96/570102596.db2.gz ZSPYYHGRRQFXEZ-LPYMAVHISA-N 0 0 467.974 6.526 40 0 JKABRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)C1=O ZINC000409019940 570102612 /nfs/dbraw/zinc/10/26/12/570102612.db2.gz LAGMPJZRUMHLDS-FPQGOQEYSA-N 0 0 490.419 6.180 40 0 JKABRN O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)Nc1cccc2ccccc21 ZINC000409020199 570102703 /nfs/dbraw/zinc/10/27/03/570102703.db2.gz ZTRPXHMQEHFGHW-UHFFFAOYSA-N 0 0 488.396 6.272 40 0 JKABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000409020245 570102720 /nfs/dbraw/zinc/10/27/20/570102720.db2.gz NBYAQKUPXITEKU-BKUYFWCQSA-N 0 0 465.962 5.423 40 0 JKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253530022 570102860 /nfs/dbraw/zinc/10/28/60/570102860.db2.gz UVZUFUGNHDDLRQ-DXHDOLFESA-N 0 0 490.772 9.253 40 0 JKABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccccc2OCc2cccc3ccccc32)C1=O ZINC000409020973 570102885 /nfs/dbraw/zinc/10/28/85/570102885.db2.gz WIXSQFZTDGWSDZ-BDFKGGEMSA-N 0 0 461.539 5.407 40 0 JKABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccccc2OCc2cccc3ccccc32)C1=O ZINC000409020974 570102944 /nfs/dbraw/zinc/10/29/44/570102944.db2.gz WIXSQFZTDGWSDZ-HAFIMRKLSA-N 0 0 461.539 5.407 40 0 JKABRN O=C(CCCOc1ccccc1F)NC[C@H]1CC[C@H](c2ncc(Cl)cc2-c2ccncc2)CC1 ZINC000253530813 570102973 /nfs/dbraw/zinc/10/29/73/570102973.db2.gz SPDLRBCNGGTADK-XUTJKUGGSA-N 0 0 481.999 6.185 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409022206 570103251 /nfs/dbraw/zinc/10/32/51/570103251.db2.gz JERUTOGSTPXYBT-YBFXNURJSA-N 0 0 494.382 6.011 40 0 JKABRN CSc1cccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409022459 570103383 /nfs/dbraw/zinc/10/33/83/570103383.db2.gz ORMPFYOSVHZQGI-UHFFFAOYSA-N 0 0 478.998 5.031 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409022359 570103401 /nfs/dbraw/zinc/10/34/01/570103401.db2.gz LJQAJAAOMLZQOH-YBFXNURJSA-N 0 0 466.386 6.416 40 0 JKABRN CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000409023027 570103487 /nfs/dbraw/zinc/10/34/87/570103487.db2.gz BEICSVLSKUEKPI-RQZCQDPDSA-N 0 0 484.774 6.265 40 0 JKABRN O=C(CSCc1cccc(Br)c1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000409023144 570103587 /nfs/dbraw/zinc/10/35/87/570103587.db2.gz OUWUFPFVTFGVFF-UHFFFAOYSA-N 0 0 469.404 5.251 40 0 JKABRN CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)C1=O ZINC000409023292 570103603 /nfs/dbraw/zinc/10/36/03/570103603.db2.gz WWCKLTYJXIBCSF-RQZCQDPDSA-N 0 0 484.774 6.265 40 0 JKABRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C2=O)cc1 ZINC000409023377 570103717 /nfs/dbraw/zinc/10/37/17/570103717.db2.gz LMRQUDMYGYBIKM-ZVHZXABRSA-N 0 0 498.970 5.183 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCCC2)c2cccc(Cl)c2C)cc1 ZINC000409023667 570103783 /nfs/dbraw/zinc/10/37/83/570103783.db2.gz BCWWERVLFFCISN-UHFFFAOYSA-N 0 0 495.110 5.334 40 0 JKABRN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409024133 570103909 /nfs/dbraw/zinc/10/39/09/570103909.db2.gz XBBUFPKDJBJZJI-KEBDBYFISA-N 0 0 476.392 5.790 40 0 JKABRN CC(=O)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253575057 570103920 /nfs/dbraw/zinc/10/39/20/570103920.db2.gz UEAHDXNBOHLSCM-MCHSHEIQSA-N 0 0 490.728 8.186 40 0 JKABRN Cc1cc(Cl)ccc1N(CC(=O)NCCSC1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000409024233 570103936 /nfs/dbraw/zinc/10/39/36/570103936.db2.gz CBYBYIOKWGJFQL-UHFFFAOYSA-N 0 0 481.083 5.026 40 0 JKABRN CSc1cccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000409024396 570103960 /nfs/dbraw/zinc/10/39/60/570103960.db2.gz KQMGCULEQIDGNC-UHFFFAOYSA-N 0 0 454.617 5.244 40 0 JKABRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(C(C)C)C3=O)cc2Br)cc1 ZINC000409024507 570104030 /nfs/dbraw/zinc/10/40/30/570104030.db2.gz ZOFGWVGMWZOTNF-YBFXNURJSA-N 0 0 489.391 5.220 40 0 JKABRN CC(=O)c1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000409024626 570104032 /nfs/dbraw/zinc/10/40/32/570104032.db2.gz LJLZOGFUVPUMJL-UHFFFAOYSA-N 0 0 464.587 5.155 40 0 JKABRN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000253595815 570104089 /nfs/dbraw/zinc/10/40/89/570104089.db2.gz JFAMZNBWGYJSIO-MPCVTRCCSA-N 0 0 475.588 6.101 40 0 JKABRN O=C(NCCSCc1c(F)cccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000409025060 570104134 /nfs/dbraw/zinc/10/41/34/570104134.db2.gz LARGVOANGNQJBM-UHFFFAOYSA-N 0 0 480.457 7.088 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409025442 570104241 /nfs/dbraw/zinc/10/42/41/570104241.db2.gz RFUZGPWDUKOSCE-UHFFFAOYSA-N 0 0 476.957 5.020 40 0 JKABRN C[C@H](C(=O)Nc1ccccc1Br)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000409025895 570104359 /nfs/dbraw/zinc/10/43/59/570104359.db2.gz ZTFJJMRUJMPAQF-MRXNPFEDSA-N 0 0 489.391 5.035 40 0 JKABRN C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000409026302 570104447 /nfs/dbraw/zinc/10/44/47/570104447.db2.gz LJKDHOCHMVUYCN-INIZCTEOSA-N 0 0 489.391 5.035 40 0 JKABRN CS(=O)(=O)N(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc2ccccc21 ZINC000409026002 570104473 /nfs/dbraw/zinc/10/44/73/570104473.db2.gz DFDCZHPMZMZXRR-UHFFFAOYSA-N 0 0 488.653 5.712 40 0 JKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253609218 570104475 /nfs/dbraw/zinc/10/44/75/570104475.db2.gz HWVAWHHNNDOXDU-TYUMNGEOSA-N 0 0 470.782 8.986 40 0 JKABRN CCc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000409026277 570104498 /nfs/dbraw/zinc/10/44/98/570104498.db2.gz KTUBPQPHZBUCKV-UHFFFAOYSA-N 0 0 462.493 5.102 40 0 JKABRN C[C@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000409026282 570104500 /nfs/dbraw/zinc/10/45/00/570104500.db2.gz KYELJBALVZUTAF-LJQANCHMSA-N 0 0 460.555 5.425 40 0 JKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC(C)C)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609219 570104546 /nfs/dbraw/zinc/10/45/46/570104546.db2.gz HWVAWHHNNDOXDU-ZVQVGMEVSA-N 0 0 470.782 8.986 40 0 JKABRN CCOc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409027026 570104676 /nfs/dbraw/zinc/10/46/76/570104676.db2.gz RBSCZHMKKMQKLL-UHFFFAOYSA-N 0 0 491.034 5.295 40 0 JKABRN CCc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409026793 570104696 /nfs/dbraw/zinc/10/46/96/570104696.db2.gz YKKNZDLLEXNVLW-UHFFFAOYSA-N 0 0 489.062 5.006 40 0 JKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@@H]3[C@H]4CC[C@@H](OC(=O)c5ccccc5)[C@]4(C)CC[C@H]32)C1 ZINC000253612201 570104739 /nfs/dbraw/zinc/10/47/39/570104739.db2.gz BRNCZORGZCWDRZ-FYYPKZCISA-N 0 0 452.591 5.365 40 0 JKABRN Cc1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1C ZINC000409027293 570104823 /nfs/dbraw/zinc/10/48/23/570104823.db2.gz FYJRRUQGDIPWMY-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN CSc1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000409028083 570105062 /nfs/dbraw/zinc/10/50/62/570105062.db2.gz JRVHKVSTTRCKJZ-UHFFFAOYSA-N 0 0 495.453 5.858 40 0 JKABRN COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253617409 570105115 /nfs/dbraw/zinc/10/51/15/570105115.db2.gz ZKHVKSAMEUAGEN-NRXBBTSISA-N 0 0 490.681 5.708 40 0 JKABRN CCOC(=O)C(C)(C)[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](OCc5ccccc5)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000253617364 570105116 /nfs/dbraw/zinc/10/51/16/570105116.db2.gz VNGJFXUXGJXUPC-AMSUDEQRSA-N 0 0 496.732 6.935 40 0 JKABRN CCOC(=O)C(C)(C)C1=CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](OCc5ccccc5)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000253617319 570105140 /nfs/dbraw/zinc/10/51/40/570105140.db2.gz IBVFQPADUBNBIW-UDEHBZCESA-N 0 0 478.717 7.740 40 0 JKABRN COc1ccc(Cl)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409028138 570105180 /nfs/dbraw/zinc/10/51/80/570105180.db2.gz HTNNVZYRWPOQEE-UHFFFAOYSA-N 0 0 499.803 5.489 40 0 JKABRN 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CC(C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328982397 570180564 /nfs/dbraw/zinc/18/05/64/570180564.db2.gz GZTBWPCALIFFQM-UHFFFAOYSA-N 0 0 472.389 5.349 40 0 JKABRN CC(C)(C)Nc1nc(Nc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328984865 570180599 /nfs/dbraw/zinc/18/05/99/570180599.db2.gz HPQOIQKPGRZGNW-UHFFFAOYSA-N 0 0 481.316 6.759 40 0 JKABRN CC(C)(C)Nc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328984537 570180632 /nfs/dbraw/zinc/18/06/32/570180632.db2.gz HOXWNIJUPZIANF-UHFFFAOYSA-N 0 0 486.325 6.998 40 0 JKABRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409237871 570180640 /nfs/dbraw/zinc/18/06/40/570180640.db2.gz JHKQPOLMLJDHNW-RGVLZGJSSA-N 0 0 487.314 5.817 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O)Nc1cccc(F)c1 ZINC000409237980 570180647 /nfs/dbraw/zinc/18/06/47/570180647.db2.gz JRABNSWHAFGRLV-WSDLNYQXSA-N 0 0 496.947 5.733 40 0 JKABRN CC[C@@H](C)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 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/nfs/dbraw/zinc/18/12/21/570181221.db2.gz KQQZLQAMUWQGDL-UHFFFAOYSA-N 0 0 476.930 6.336 40 0 JKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](CO)C(C)C)n2)c(Cl)c1 ZINC000329003449 570181230 /nfs/dbraw/zinc/18/12/30/570181230.db2.gz KNLRAVVGVGSWIH-HXUWFJFHSA-N 0 0 480.918 6.176 40 0 JKABRN CSc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329005211 570181243 /nfs/dbraw/zinc/18/12/43/570181243.db2.gz KWXSWWOICCXJPF-UHFFFAOYSA-N 0 0 460.525 5.706 40 0 JKABRN CCOc1cc(Cl)c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1OCC ZINC000409239889 570181378 /nfs/dbraw/zinc/18/13/78/570181378.db2.gz RNLRPKYVBBCWRJ-VXLYETTFSA-N 0 0 495.384 5.466 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329010825 570181459 /nfs/dbraw/zinc/18/14/59/570181459.db2.gz MCANNXXHQUHPQZ-CYBMUJFWSA-N 0 0 495.343 5.911 40 0 JKABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1c(Cl)cccc1Cl ZINC000409240104 570181472 /nfs/dbraw/zinc/18/14/72/570181472.db2.gz ONESXANACKSXBP-UHFFFAOYSA-N 0 0 477.413 5.086 40 0 JKABRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000409239951 570181551 /nfs/dbraw/zinc/18/15/51/570181551.db2.gz OUKBGDWFTUJAHV-LZYBPNLTSA-N 0 0 460.144 5.792 40 0 JKABRN Fc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000329009707 570181558 /nfs/dbraw/zinc/18/15/58/570181558.db2.gz LXJNWJHZMHLHKI-UHFFFAOYSA-N 0 0 466.866 5.777 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C1=O ZINC000409240201 570181581 /nfs/dbraw/zinc/18/15/81/570181581.db2.gz OZQZGJBOSBJRDZ-HZHRSRAPSA-N 0 0 467.974 6.145 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329013084 570181640 /nfs/dbraw/zinc/18/16/40/570181640.db2.gz MNXHMANDVIPWAW-CYBMUJFWSA-N 0 0 486.416 5.739 40 0 JKABRN Cc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329014792 570181655 /nfs/dbraw/zinc/18/16/55/570181655.db2.gz MYHYQIQUUKBDNN-FQEVSTJZSA-N 0 0 460.500 5.831 40 0 JKABRN Cc1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2Br)cc1 ZINC000409240687 570181721 /nfs/dbraw/zinc/18/17/21/570181721.db2.gz LTOZGTVAFIBDFY-HYARGMPZSA-N 0 0 477.358 5.429 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000409240646 570181792 /nfs/dbraw/zinc/18/17/92/570181792.db2.gz HHDJCAHNMRWZKO-YBFXNURJSA-N 0 0 466.386 6.416 40 0 JKABRN CC(C)Nc1nc(Nc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329016406 570181822 /nfs/dbraw/zinc/18/18/22/570181822.db2.gz NFSYRQYTIYWOTG-UHFFFAOYSA-N 0 0 467.289 5.212 40 0 JKABRN CC(C)(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329018422 570181882 /nfs/dbraw/zinc/18/18/82/570181882.db2.gz NSAKCAZHWFHEFG-UHFFFAOYSA-N 0 0 495.343 6.627 40 0 JKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O ZINC000409240975 570181916 /nfs/dbraw/zinc/18/19/16/570181916.db2.gz VXXBTJBEISIPSX-HYARGMPZSA-N 0 0 464.949 5.774 40 0 JKABRN FC(F)(F)c1cc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)ccc1Br ZINC000329018776 570181950 /nfs/dbraw/zinc/18/19/50/570181950.db2.gz NSGVPVXONBLYEX-UHFFFAOYSA-N 0 0 478.316 5.262 40 0 JKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(Br)cc3)C2=O)c1 ZINC000409241204 570181976 /nfs/dbraw/zinc/18/19/76/570181976.db2.gz SATPUVFFMPSKNP-HYARGMPZSA-N 0 0 477.358 5.429 40 0 JKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cccc(Cl)c3Cl)nc(NC3CCCCC3)n2)c1 ZINC000329022644 570182028 /nfs/dbraw/zinc/18/20/28/570182028.db2.gz OOJWNGGMYISMCL-UHFFFAOYSA-N 0 0 497.348 6.681 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C(F)(F)F)n1 ZINC000329022221 570182081 /nfs/dbraw/zinc/18/20/81/570182081.db2.gz OMBREMUMAPEBMK-MRVPVSSYSA-N 0 0 457.216 5.075 40 0 JKABRN COc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c1 ZINC000329022628 570182085 /nfs/dbraw/zinc/18/20/85/570182085.db2.gz ONZKUCZZCKRIMW-UHFFFAOYSA-N 0 0 458.484 5.383 40 0 JKABRN Cc1c(Br)cccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)C)n1 ZINC000329024875 570182162 /nfs/dbraw/zinc/18/21/62/570182162.db2.gz PCTUONIXBVWSHF-UHFFFAOYSA-N 0 0 481.316 5.521 40 0 JKABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cc1F ZINC000329029274 570182308 /nfs/dbraw/zinc/18/23/08/570182308.db2.gz PYWLLIOTRQYLNB-UHFFFAOYSA-N 0 0 450.436 6.144 40 0 JKABRN Fc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)ccc1Br ZINC000329031718 570182313 /nfs/dbraw/zinc/18/23/13/570182313.db2.gz QKFIXGMCXQGDQF-UHFFFAOYSA-N 0 0 483.263 5.106 40 0 JKABRN Cc1cc(Br)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000329028683 570182384 /nfs/dbraw/zinc/18/23/84/570182384.db2.gz PWQDITRWENNAKJ-UHFFFAOYSA-N 0 0 495.343 7.067 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329034852 570182423 /nfs/dbraw/zinc/18/24/23/570182423.db2.gz RBEPFKXKNPNHLE-ZDUSSCGKSA-N 0 0 470.417 5.859 40 0 JKABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000329034863 570182452 /nfs/dbraw/zinc/18/24/52/570182452.db2.gz RBIRVPPFMCPRER-UHFFFAOYSA-N 0 0 452.400 5.250 40 0 JKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)ccc1Br ZINC000329032778 570182464 /nfs/dbraw/zinc/18/24/64/570182464.db2.gz QPTRJAFZISYLEV-UHFFFAOYSA-N 0 0 481.316 6.677 40 0 JKABRN CSc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](CO)C(C)C)n1 ZINC000329033301 570182532 /nfs/dbraw/zinc/18/25/32/570182532.db2.gz QTLNSJRZGXHAKQ-LJQANCHMSA-N 0 0 478.540 5.937 40 0 JKABRN CSc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329033296 570182538 /nfs/dbraw/zinc/18/25/38/570182538.db2.gz QTLNSJRZGXHAKQ-IBGZPJMESA-N 0 0 478.540 5.937 40 0 JKABRN COCCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000409242821 570182684 /nfs/dbraw/zinc/18/26/84/570182684.db2.gz PEZUUDDFYRZXIM-LPYMAVHISA-N 0 0 489.424 6.378 40 0 JKABRN O=C(CN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O)Nc1ccccc1Cl ZINC000409242936 570182694 /nfs/dbraw/zinc/18/26/94/570182694.db2.gz WVEDJQAPAKATRJ-KGENOOAVSA-N 0 0 480.998 6.166 40 0 JKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329040821 570182737 /nfs/dbraw/zinc/18/27/37/570182737.db2.gz SGITYKKVJCLLBE-GOSISDBHSA-N 0 0 466.891 5.868 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329042596 570182760 /nfs/dbraw/zinc/18/27/60/570182760.db2.gz SOSYJRNTCMGSEB-ZDUSSCGKSA-N 0 0 470.417 7.015 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329039763 570182767 /nfs/dbraw/zinc/18/27/67/570182767.db2.gz RZUYORNYZWEMOJ-LBPRGKRZSA-N 0 0 466.305 5.118 40 0 JKABRN Cc1nc2cc(Nc3cc(-c4cccc(OC(F)(F)F)c4)nc(NC4CCCCC4)n3)ccc2s1 ZINC000329040310 570182779 /nfs/dbraw/zinc/18/27/79/570182779.db2.gz SCVZMFKNKBSQGO-UHFFFAOYSA-N 0 0 499.562 6.292 40 0 JKABRN CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329040231 570182792 /nfs/dbraw/zinc/18/27/92/570182792.db2.gz SBSBUEPMBYZRPE-CYBMUJFWSA-N 0 0 481.316 5.603 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329042558 570182800 /nfs/dbraw/zinc/18/28/00/570182800.db2.gz SNSVKFDQZQNNEP-UHFFFAOYSA-N 0 0 466.305 6.274 40 0 JKABRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Br)c2)C1=O ZINC000409243111 570182865 /nfs/dbraw/zinc/18/28/65/570182865.db2.gz VPJIWBVHFXCQQL-UDWIEESQSA-N 0 0 485.765 5.747 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2ccc(C)cc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329043769 570182864 /nfs/dbraw/zinc/18/28/64/570182864.db2.gz SUUAGEGFSKCZMC-AWEZNQCLSA-N 0 0 495.343 5.911 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2c(C)ccc(Cl)c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329043754 570182920 /nfs/dbraw/zinc/18/29/20/570182920.db2.gz SUQKAOWLXPAOGK-AWEZNQCLSA-N 0 0 464.919 6.110 40 0 JKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)c1 ZINC000409243332 570182938 /nfs/dbraw/zinc/18/29/38/570182938.db2.gz XTHCKZNFLMWLNE-LPYMAVHISA-N 0 0 495.348 5.569 40 0 JKABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCC ZINC000409243451 570182940 /nfs/dbraw/zinc/18/29/40/570182940.db2.gz WLZCZWXXSLYFMD-WOJGMQOQSA-N 0 0 495.384 5.466 40 0 JKABRN CC[C@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329050076 570183042 /nfs/dbraw/zinc/18/30/42/570183042.db2.gz USRJWLSGJMLBAI-ZDUSSCGKSA-N 0 0 470.417 5.859 40 0 JKABRN CC(C)Nc1nc(Nc2ccc(Br)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329050081 570183046 /nfs/dbraw/zinc/18/30/46/570183046.db2.gz USTNASANRYUDTJ-UHFFFAOYSA-N 0 0 485.279 5.352 40 0 JKABRN CC(C)(C)Nc1nc(Nc2c(Cl)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329053964 570183139 /nfs/dbraw/zinc/18/31/39/570183139.db2.gz VIOGNXJAAMTXRS-UHFFFAOYSA-N 0 0 471.310 7.303 40 0 JKABRN CC(C)(C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329056634 570183149 /nfs/dbraw/zinc/18/31/49/570183149.db2.gz VSSCXWZTBPKOAI-UHFFFAOYSA-N 0 0 458.528 7.294 40 0 JKABRN CNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329056131 570183167 /nfs/dbraw/zinc/18/31/67/570183167.db2.gz VRKPMUUZKOWQJM-UHFFFAOYSA-N 0 0 458.362 6.035 40 0 JKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060292 570183268 /nfs/dbraw/zinc/18/32/68/570183268.db2.gz 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COc1cc(C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000408552606 570195561 /nfs/dbraw/zinc/19/55/61/570195561.db2.gz KFOQLUAKDVUGLJ-UHFFFAOYSA-N 0 0 454.364 6.214 40 0 JKABRN O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000408552755 570195662 /nfs/dbraw/zinc/19/56/62/570195662.db2.gz NNKRBLLVZKRAHL-UHFFFAOYSA-N 0 0 498.648 5.470 40 0 JKABRN COc1cc(C(=O)OCC(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408553314 570195792 /nfs/dbraw/zinc/19/57/92/570195792.db2.gz NUPZNKFTIJLWRJ-UHFFFAOYSA-N 0 0 469.331 5.385 40 0 JKABRN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000408553657 570195866 /nfs/dbraw/zinc/19/58/66/570195866.db2.gz ASKMLTBRKQFEDD-UHFFFAOYSA-N 0 0 483.033 5.357 40 0 JKABRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OC(C)C ZINC000408553573 570195894 /nfs/dbraw/zinc/19/58/94/570195894.db2.gz ATZPYPORRNQVHN-FQEVSTJZSA-N 0 0 470.816 6.067 40 0 JKABRN O=C1CS[C@H](c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000408553654 570195903 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COc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(C)cc1 ZINC000408554251 570196231 /nfs/dbraw/zinc/19/62/31/570196231.db2.gz RAQLSSGAPBHHQJ-UHFFFAOYSA-N 0 0 494.307 6.616 40 0 JKABRN Fc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Br)c(Cl)c1 ZINC000408556523 570197533 /nfs/dbraw/zinc/19/75/33/570197533.db2.gz JFYSNSZBGXOFBC-UHFFFAOYSA-N 0 0 455.154 7.086 40 0 JKABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408554583 570196357 /nfs/dbraw/zinc/19/63/57/570196357.db2.gz CKPKMIFCBJIPOI-UHFFFAOYSA-N 0 0 458.967 5.409 40 0 JKABRN O=C1CS[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408554814 570196459 /nfs/dbraw/zinc/19/64/59/570196459.db2.gz FVJYGHDORADRAP-JOCHJYFZSA-N 0 0 482.791 7.144 40 0 JKABRN CCOc1cc(C(=O)NCc2cccc3ccccc32)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408554666 570196461 /nfs/dbraw/zinc/19/64/61/570196461.db2.gz SPQZKQLUTLCSRF-UHFFFAOYSA-N 0 0 459.973 6.709 40 0 JKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408554658 570196462 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COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000408555165 570196767 /nfs/dbraw/zinc/19/67/67/570196767.db2.gz FBIFVWCTDMKMKE-UHFFFAOYSA-N 0 0 465.358 5.364 40 0 JKABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000409301334 570196812 /nfs/dbraw/zinc/19/68/12/570196812.db2.gz CAOJVGZJPWHREF-JQBYJRRVSA-N 0 0 464.746 5.499 40 0 JKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555573 570196855 /nfs/dbraw/zinc/19/68/55/570196855.db2.gz HGQHAQJFDYAKMA-UHFFFAOYSA-N 0 0 479.791 6.675 40 0 JKABRN CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408555522 570196866 /nfs/dbraw/zinc/19/68/66/570196866.db2.gz HCYFEEVAPNXVFH-UHFFFAOYSA-N 0 0 493.818 6.984 40 0 JKABRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408555647 570196969 /nfs/dbraw/zinc/19/69/69/570196969.db2.gz GTEJZKSIXXKMKH-QHCPKHFHSA-N 0 0 494.827 7.013 40 0 JKABRN O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Br)Nc1ccccc1F ZINC000408555646 570196984 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WTLFYKDJKBKQIC-NTCAYCPXSA-N 0 0 495.560 6.290 40 0 JKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000408576328 570205886 /nfs/dbraw/zinc/20/58/86/570205886.db2.gz XGXOXZJCMPXTBF-BMRADRMJSA-N 0 0 464.550 6.016 40 0 JKABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408576450 570205893 /nfs/dbraw/zinc/20/58/93/570205893.db2.gz UWRZLMPOPAYXIY-NDEPHWFRSA-N 0 0 487.625 5.195 40 0 JKABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)nn12 ZINC000408576428 570205899 /nfs/dbraw/zinc/20/58/99/570205899.db2.gz XYHVQTWSLJVJJS-UHFFFAOYSA-N 0 0 470.341 5.980 40 0 JKABRN CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000408576429 570205913 /nfs/dbraw/zinc/20/59/13/570205913.db2.gz HBTBZPIUXPZAHJ-UHFFFAOYSA-N 0 0 495.366 5.472 40 0 JKABRN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)c3)oc2c1 ZINC000408577052 570206064 /nfs/dbraw/zinc/20/60/64/570206064.db2.gz ZOCPSGSSVMAMAD-NTCAYCPXSA-N 0 0 479.561 6.590 40 0 JKABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000408577140 570206084 /nfs/dbraw/zinc/20/60/84/570206084.db2.gz IGNUGEWYMPAZFC-UHFFFAOYSA-N 0 0 483.804 5.865 40 0 JKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(CSc2ccccc2)cc1 ZINC000408577353 570206141 /nfs/dbraw/zinc/20/61/41/570206141.db2.gz ZWLCSWCJLDTMOZ-UHFFFAOYSA-N 0 0 457.982 7.116 40 0 JKABRN CCOC(=O)c1c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)sc2c1CCC2 ZINC000408577320 570206158 /nfs/dbraw/zinc/20/61/58/570206158.db2.gz YLFKEHNRPJZGPM-XDJHFCHBSA-N 0 0 451.975 6.246 40 0 JKABRN O=C(Nc1ccccc1Cl)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Cl)ccc21 ZINC000408579058 570206412 /nfs/dbraw/zinc/20/64/12/570206412.db2.gz MFCFTFOUAMXUPJ-UHFFFAOYSA-N 0 0 485.302 5.048 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(Cl)c3)cc3cc(Cl)ccc32)c(C)c1 ZINC000408578751 570206414 /nfs/dbraw/zinc/20/64/14/570206414.db2.gz LYAANPRSLBYDDA-UHFFFAOYSA-N 0 0 495.366 5.526 40 0 JKABRN Cc1ccc(C)c(NC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Cl)ccc32)c1 ZINC000408579461 570206447 /nfs/dbraw/zinc/20/64/47/570206447.db2.gz NPZTVWFWJQXFSL-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN Cc1cc(C)c(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3C)cc3cc(Cl)ccc32)c(C)c1 ZINC000408579765 570206518 /nfs/dbraw/zinc/20/65/18/570206518.db2.gz OVQVHUHLNLPGPZ-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)c1 ZINC000408579639 570206536 /nfs/dbraw/zinc/20/65/36/570206536.db2.gz IXKIBGRRBFBTCZ-UHFFFAOYSA-N 0 0 463.386 5.972 40 0 JKABRN Cc1cccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408581346 570206725 /nfs/dbraw/zinc/20/67/25/570206725.db2.gz WGXCDDNEOFHTOM-UHFFFAOYSA-N 0 0 483.804 5.789 40 0 JKABRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCc3nc4sc5c(c4c(=O)[nH]3)CCCC5)n2)cc1 ZINC000408581134 570206728 /nfs/dbraw/zinc/20/67/28/570206728.db2.gz GLOAZCIIWCFHBE-UHFFFAOYSA-N 0 0 488.560 6.352 40 0 JKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408581525 570206750 /nfs/dbraw/zinc/20/67/50/570206750.db2.gz XPNFHBGRLXEKQN-XMMPIXPASA-N 0 0 471.409 6.062 40 0 JKABRN O=C(CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1)Nc1ccccc1 ZINC000408581449 570206757 /nfs/dbraw/zinc/20/67/57/570206757.db2.gz IEEOPSDUUQIZQE-UHFFFAOYSA-N 0 0 468.298 5.656 40 0 JKABRN Cc1ccc(C)c(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000408582192 570206898 /nfs/dbraw/zinc/20/68/98/570206898.db2.gz VVQWGDHAVBWDAC-UHFFFAOYSA-N 0 0 463.386 5.444 40 0 JKABRN Cc1cccc(C)c1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000408582202 570206905 /nfs/dbraw/zinc/20/69/05/570206905.db2.gz VWGFQGWPDTVHHS-GOSISDBHSA-N 0 0 488.975 5.111 40 0 JKABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1)c1ccccc1 ZINC000408582334 570206936 /nfs/dbraw/zinc/20/69/36/570206936.db2.gz CKTMQZRESNEEMB-HSZRJFAPSA-N 0 0 498.648 5.565 40 0 JKABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(Cl)c3)cc3cc(Cl)ccc32)cc1 ZINC000408582233 570206949 /nfs/dbraw/zinc/20/69/49/570206949.db2.gz WAMPNFXOCOUEEW-UHFFFAOYSA-N 0 0 481.339 5.218 40 0 JKABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1)c1ccccc1 ZINC000408582336 570206960 /nfs/dbraw/zinc/20/69/60/570206960.db2.gz CKTMQZRESNEEMB-QHCPKHFHSA-N 0 0 498.648 5.565 40 0 JKABRN CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408582628 570207000 /nfs/dbraw/zinc/20/70/00/570207000.db2.gz DTWIVCXWTLXCGM-UHFFFAOYSA-N 0 0 499.032 5.219 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Cl)ccc21 ZINC000408582794 570207120 /nfs/dbraw/zinc/20/71/20/570207120.db2.gz XTZUFBLTZWRPGF-UHFFFAOYSA-N 0 0 485.302 5.048 40 0 JKABRN Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000408582983 570207169 /nfs/dbraw/zinc/20/71/69/570207169.db2.gz QJECBJZSKSOXOC-UHFFFAOYSA-N 0 0 482.325 5.964 40 0 JKABRN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408582930 570207176 /nfs/dbraw/zinc/20/71/76/570207176.db2.gz GDJTUKYZFSONES-SANMLTNESA-N 0 0 484.621 5.146 40 0 JKABRN CCc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(C)c3C)cc3cc(Cl)ccc32)cc1 ZINC000408583207 570207186 /nfs/dbraw/zinc/20/71/86/570207186.db2.gz ZKIZJKPSTGKHSU-UHFFFAOYSA-N 0 0 488.975 5.435 40 0 JKABRN Cc1cccc(C)c1NC(=O)C(=O)Nn1c(C(=O)Nc2c(C)cccc2C)cc2cc(Cl)ccc21 ZINC000408583098 570207194 /nfs/dbraw/zinc/20/71/94/570207194.db2.gz YVAZCQDEHRQCCV-UHFFFAOYSA-N 0 0 488.975 5.489 40 0 JKABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)NC1CCCCCCC1 ZINC000408583288 570207212 /nfs/dbraw/zinc/20/72/12/570207212.db2.gz GWDOAXVJOZMKJU-UHFFFAOYSA-N 0 0 491.053 5.089 40 0 JKABRN O=C(CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000408583381 570207250 /nfs/dbraw/zinc/20/72/50/570207250.db2.gz UEOKWXWBTUMLDK-UHFFFAOYSA-N 0 0 453.283 5.900 40 0 JKABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000408583534 570207343 /nfs/dbraw/zinc/20/73/43/570207343.db2.gz ICRLOAVSLDPBHT-UHFFFAOYSA-N 0 0 486.593 5.080 40 0 JKABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1Cl ZINC000408583573 570207356 /nfs/dbraw/zinc/20/73/56/570207356.db2.gz IMHQHSGKCIRQFX-UHFFFAOYSA-N 0 0 491.824 5.085 40 0 JKABRN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000408584016 570207391 /nfs/dbraw/zinc/20/73/91/570207391.db2.gz ZJHKZXNVSQRJON-UHFFFAOYSA-N 0 0 488.038 5.412 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1 ZINC000408584281 570207503 /nfs/dbraw/zinc/20/75/03/570207503.db2.gz NTWCEELLZMFTSB-UHFFFAOYSA-N 0 0 479.385 5.429 40 0 JKABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1Cl ZINC000408584263 570207526 /nfs/dbraw/zinc/20/75/26/570207526.db2.gz NOWFYAKPZQAIEM-UHFFFAOYSA-N 0 0 491.824 5.085 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408584198 570207532 /nfs/dbraw/zinc/20/75/32/570207532.db2.gz MXWALDADQVAANH-NRFANRHFSA-N 0 0 464.631 5.729 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000408584495 570207586 /nfs/dbraw/zinc/20/75/86/570207586.db2.gz QNOMWWVCAXHLHD-UHFFFAOYSA-N 0 0 499.803 5.774 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000408584527 570207655 /nfs/dbraw/zinc/20/76/55/570207655.db2.gz QWNINVCSPDGVMK-UHFFFAOYSA-N 0 0 450.604 5.168 40 0 JKABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)C2CCCCC2)cc1OC ZINC000408585175 570207898 /nfs/dbraw/zinc/20/78/98/570207898.db2.gz CDHILQWLTUFOTK-UHFFFAOYSA-N 0 0 488.650 5.098 40 0 JKABRN COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408585396 570207943 /nfs/dbraw/zinc/20/79/43/570207943.db2.gz GGZNDVAGPPITNZ-UHFFFAOYSA-N 0 0 491.396 5.396 40 0 JKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1I ZINC000408585493 570207949 /nfs/dbraw/zinc/20/79/49/570207949.db2.gz GAOYVIFSEKZTEB-UHFFFAOYSA-N 0 0 460.109 5.095 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)Cc2cccc(C)c2)cc1 ZINC000408585940 570208011 /nfs/dbraw/zinc/20/80/11/570208011.db2.gz KKIRVUUHRPAAKJ-UHFFFAOYSA-N 0 0 464.631 5.565 40 0 JKABRN O=C(COC(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1 ZINC000408585783 570208025 /nfs/dbraw/zinc/20/80/25/570208025.db2.gz INBONAREBWISCB-UHFFFAOYSA-N 0 0 459.723 5.721 40 0 JKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)Cc2ccccc2Cl)cc1 ZINC000408585794 570208036 /nfs/dbraw/zinc/20/80/36/570208036.db2.gz ITFIXEBFONWZLY-UHFFFAOYSA-N 0 0 485.049 5.910 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408586151 570208063 /nfs/dbraw/zinc/20/80/63/570208063.db2.gz LOCPGXXNMFDMSM-UHFFFAOYSA-N 0 0 463.043 5.734 40 0 JKABRN C[C@H](Oc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)NC1CCCCC1 ZINC000408586230 570208111 /nfs/dbraw/zinc/20/81/11/570208111.db2.gz ATZUSDWMVCNHNJ-AWEZNQCLSA-N 0 0 471.406 5.010 40 0 JKABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000408586308 570208165 /nfs/dbraw/zinc/20/81/65/570208165.db2.gz NIQHFJKTQJFNRY-UHFFFAOYSA-N 0 0 496.585 5.014 40 0 JKABRN O=C(Nc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408586502 570208178 /nfs/dbraw/zinc/20/81/78/570208178.db2.gz AKZFIDFPIBYBQM-IBGZPJMESA-N 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/nfs/dbraw/zinc/20/87/27/570208727.db2.gz GVQLFYITPSXMNE-UHFFFAOYSA-N 0 0 458.967 5.084 40 0 JKABRN Cc1cc(Cl)ccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408589744 570208856 /nfs/dbraw/zinc/20/88/56/570208856.db2.gz FHVVMYDOERAFMR-FQEVSTJZSA-N 0 0 497.831 5.484 40 0 JKABRN O=C(Nc1cccc(Cl)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408589768 570208858 /nfs/dbraw/zinc/20/88/58/570208858.db2.gz FLFLHBYDHFUPQL-LJQANCHMSA-N 0 0 483.804 5.175 40 0 JKABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccccc3Oc3ccccc3)cc2)cc1 ZINC000408590955 570209150 /nfs/dbraw/zinc/20/91/50/570209150.db2.gz HJXKWWUVHUUWBE-UHFFFAOYSA-N 0 0 486.593 6.159 40 0 JKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(NC(=O)N4CCCCC4)cc3)ccc21 ZINC000408590944 570209158 /nfs/dbraw/zinc/20/91/58/570209158.db2.gz HJBLYBGJVQZVLY-UHFFFAOYSA-N 0 0 476.602 5.633 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)ccc21 ZINC000408591584 570209220 /nfs/dbraw/zinc/20/92/20/570209220.db2.gz JQHFVVPAJJSHHX-SFHVURJKSA-N 0 0 496.032 5.507 40 0 JKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)ccc21 ZINC000408591580 570209274 /nfs/dbraw/zinc/20/92/74/570209274.db2.gz JQHFVVPAJJSHHX-GOSISDBHSA-N 0 0 496.032 5.507 40 0 JKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000408592089 570209372 /nfs/dbraw/zinc/20/93/72/570209372.db2.gz NTLZDAHRSPXILO-UHFFFAOYSA-N 0 0 472.994 5.590 40 0 JKABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408592299 570209407 /nfs/dbraw/zinc/20/94/07/570209407.db2.gz LACFHVDSMRDQTL-OAQYLSRUSA-N 0 0 496.938 5.196 40 0 JKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccccc1Cl ZINC000408593523 570209752 /nfs/dbraw/zinc/20/97/52/570209752.db2.gz AOTLLNXFEDMPPB-UHFFFAOYSA-N 0 0 452.967 5.414 40 0 JKABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000408593524 570209766 /nfs/dbraw/zinc/20/97/66/570209766.db2.gz APIZBGZLANQFRL-UHFFFAOYSA-N 0 0 493.402 5.126 40 0 JKABRN C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@@]12C ZINC000253589638 571855099 /nfs/dbraw/zinc/85/50/99/571855099.db2.gz KASALCUNLBTNAA-JFHJFZTLSA-N 0 0 472.710 5.601 40 0 endogenous,in-man JKABRN