smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359718762 1064266246 /nfs/dbraw/zinc/26/62/46/1064266246.db2.gz QNTYSTMGQFUAPJ-UONOGXRCSA-N 0 0 459.454 4.718 20 30 JJEDRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001359728648 1064276693 /nfs/dbraw/zinc/27/66/93/1064276693.db2.gz ICIAJFAAHCRUBQ-NRFANRHFSA-N 0 0 452.603 4.604 20 30 JJEDRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001359732858 1064287864 /nfs/dbraw/zinc/28/78/64/1064287864.db2.gz LZKXLGHLSQKBSI-JOCHJYFZSA-N 0 0 496.656 4.858 20 30 JJEDRN C=CCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)c1 ZINC001434868568 1064305927 /nfs/dbraw/zinc/30/59/27/1064305927.db2.gz FTZCUOKGEAMICH-FQEVSTJZSA-N 0 0 459.340 4.754 20 30 JJEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001434881131 1064313830 /nfs/dbraw/zinc/31/38/30/1064313830.db2.gz CCIIPKGKUJAENG-UHFFFAOYSA-N 0 0 454.527 4.700 20 30 JJEDRN C=CC[C@@]1(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001434882035 1064314540 /nfs/dbraw/zinc/31/45/40/1064314540.db2.gz FJNCWHCPKXHYCE-AOMKIAJQSA-N 0 0 456.505 4.935 20 30 JJEDRN COC(=O)c1sc(-c2cccc(Br)c2)cc1NC(=O)c1ncc(C#N)cc1C ZINC001434888552 1064320048 /nfs/dbraw/zinc/32/00/48/1064320048.db2.gz ADFCYMASXAMYLY-UHFFFAOYSA-N 0 0 456.321 4.792 20 30 JJEDRN CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001359745752 1064320502 /nfs/dbraw/zinc/32/05/02/1064320502.db2.gz QAGPTHHVGPAKQI-JTHBVZDNSA-N 0 0 496.656 4.760 20 30 JJEDRN CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCO1 ZINC001359748195 1064332591 /nfs/dbraw/zinc/33/25/91/1064332591.db2.gz QLQWFIHGOOUUCF-DNVJHFABSA-N 0 0 465.642 4.908 20 30 JJEDRN COC(=O)c1cc(Br)cc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)c1 ZINC001434910109 1064336133 /nfs/dbraw/zinc/33/61/33/1064336133.db2.gz DGAFWGUIYVKAQX-UHFFFAOYSA-N 0 0 452.264 4.547 20 30 JJEDRN N#Cc1ccc(Oc2ccc(NC(=O)c3cnnn3-c3c(Cl)cccc3Cl)cc2)nc1 ZINC001434914037 1064340391 /nfs/dbraw/zinc/34/03/91/1064340391.db2.gz ZBNYVVOTRDAXPW-UHFFFAOYSA-N 0 0 451.273 4.885 20 30 JJEDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001359759658 1064364795 /nfs/dbraw/zinc/36/47/95/1064364795.db2.gz KMZPSEJISZUGHP-BUVFEPMLSA-N 0 0 464.010 4.727 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC#N ZINC001359760303 1064367821 /nfs/dbraw/zinc/36/78/21/1064367821.db2.gz RTMWTJPAJOUYRU-POAQFYNOSA-N 0 0 460.420 4.897 20 30 JJEDRN C=CCN(CCc1ccccc1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2c1cccc2OC ZINC001434952959 1064373428 /nfs/dbraw/zinc/37/34/28/1064373428.db2.gz KYLKMAALPUIDEC-HHHXNRCGSA-N 0 0 450.579 4.619 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CCC#N)CC1CC1 ZINC001359762018 1064374540 /nfs/dbraw/zinc/37/45/40/1064374540.db2.gz PANIQKZLWGPNGK-DVECYGJZSA-N 0 0 457.569 4.728 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)cc1OC ZINC001434964600 1064379848 /nfs/dbraw/zinc/37/98/48/1064379848.db2.gz YYFPPCCQKHTZTE-OWBHPGMISA-N 0 0 452.551 4.614 20 30 JJEDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1 ZINC001359763582 1064380397 /nfs/dbraw/zinc/38/03/97/1064380397.db2.gz MCDAIMSHZZHIBS-ZJSXRUAMSA-N 0 0 451.615 4.806 20 30 JJEDRN N#Cc1cc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)cnc1C(F)(F)F ZINC001434964864 1064380424 /nfs/dbraw/zinc/38/04/24/1064380424.db2.gz VYTWPDDKUWZDLL-FQEVSTJZSA-N 0 0 450.420 4.572 20 30 JJEDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 ZINC001359764048 1064382575 /nfs/dbraw/zinc/38/25/75/1064382575.db2.gz UITKLIHKSYNJKW-NFBKMPQASA-N 0 0 469.655 4.512 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccccc1NC(=O)c1cccs1 ZINC001435000201 1064414629 /nfs/dbraw/zinc/41/46/29/1064414629.db2.gz ZJOPLKGUMNYMMH-SFHVURJKSA-N 0 0 456.568 4.916 20 30 JJEDRN C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(I)cc2OC)c1 ZINC001435004224 1064418505 /nfs/dbraw/zinc/41/85/05/1064418505.db2.gz GOAKLORYQVCWCC-UHFFFAOYSA-N 0 0 457.267 4.721 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC001435010092 1064424992 /nfs/dbraw/zinc/42/49/92/1064424992.db2.gz YUIFCXGBQLLLRM-LJQANCHMSA-N 0 0 451.498 4.828 20 30 JJEDRN Cc1c(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)cnn1CCC#N ZINC001435016337 1064433471 /nfs/dbraw/zinc/43/34/71/1064433471.db2.gz DUOUVLHHOKDTEC-UHFFFAOYSA-N 0 0 452.440 4.774 20 30 JJEDRN COC(=O)c1ccoc1COc1cccc2c1N(C(=O)c1ccc(C#N)c(Cl)c1)CCC2 ZINC001435021165 1064438640 /nfs/dbraw/zinc/43/86/40/1064438640.db2.gz QNVSYLKOORUAJU-UHFFFAOYSA-N 0 0 450.878 4.763 20 30 JJEDRN C#Cc1cccc(N(C)C(=O)c2cc(I)cc(Br)c2C)c1 ZINC001359803586 1064472930 /nfs/dbraw/zinc/47/29/30/1064472930.db2.gz LIKNJGJKMOHFRA-UHFFFAOYSA-N 0 0 454.105 4.620 20 30 JJEDRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 ZINC001435059998 1064478034 /nfs/dbraw/zinc/47/80/34/1064478034.db2.gz JSSGWMBRWOFXNW-XMMPIXPASA-N 0 0 457.555 4.600 20 30 JJEDRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001435061228 1064479757 /nfs/dbraw/zinc/47/97/57/1064479757.db2.gz QCIMJCVMLPWSTF-XMMPIXPASA-N 0 0 457.555 4.600 20 30 JJEDRN N#Cc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c(F)c1 ZINC001435073083 1064494786 /nfs/dbraw/zinc/49/47/86/1064494786.db2.gz TUDDIAAFUXIGEQ-UHFFFAOYSA-N 0 0 450.310 4.510 20 30 JJEDRN Cc1noc(COc2ccc(C(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)cn2)n1 ZINC001435077777 1064500306 /nfs/dbraw/zinc/50/03/06/1064500306.db2.gz WFCOOXNVLBWKTE-UHFFFAOYSA-N 0 0 459.893 4.724 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359817976 1064501138 /nfs/dbraw/zinc/50/11/38/1064501138.db2.gz QAUPODKXPHVRML-GJZUVCINSA-N 0 0 465.642 4.847 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001359817940 1064501305 /nfs/dbraw/zinc/50/13/05/1064501305.db2.gz OZRLJWZOPANPSJ-WOJBJXKFSA-N 0 0 451.615 4.600 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001435091786 1064508849 /nfs/dbraw/zinc/50/88/49/1064508849.db2.gz OZODGLGPLBAZCT-NRFANRHFSA-N 0 0 451.320 4.636 20 30 JJEDRN N#Cc1cccc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1Br ZINC001435109859 1064519438 /nfs/dbraw/zinc/51/94/38/1064519438.db2.gz ICWXGWYBPMUOMY-UHFFFAOYSA-N 0 0 450.321 4.882 20 30 JJEDRN Cc1cc(CC(C)(C)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)ccc1Br ZINC001435128815 1064534469 /nfs/dbraw/zinc/53/44/69/1064534469.db2.gz WOFPAGCGZMLRIQ-NRFANRHFSA-N 0 0 454.412 4.563 20 30 JJEDRN C=CCc1cc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc(OC)c1OC ZINC001435158636 1064554751 /nfs/dbraw/zinc/55/47/51/1064554751.db2.gz IEAVNFSSKDPDOU-UHFFFAOYSA-N 0 0 451.544 4.659 20 30 JJEDRN C#CCN(C(=O)C(F)(F)c1cc(F)cc(F)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435175524 1064568843 /nfs/dbraw/zinc/56/88/43/1064568843.db2.gz LIVSLIAKSJVRGS-QGZVFWFLSA-N 0 0 456.233 4.805 20 30 JJEDRN C#CCN(C(=O)c1ccc(C(F)(F)F)nc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435176964 1064570093 /nfs/dbraw/zinc/57/00/93/1064570093.db2.gz ZUUNIQBHZWJWBE-MRXNPFEDSA-N 0 0 453.258 4.771 20 30 JJEDRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(Br)cn2)C1 ZINC001359880382 1064573808 /nfs/dbraw/zinc/57/38/08/1064573808.db2.gz FINGFCKSLUEHNJ-IBGZPJMESA-N 0 0 482.430 4.738 20 30 JJEDRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(Br)cn2)C1 ZINC001359880383 1064573892 /nfs/dbraw/zinc/57/38/92/1064573892.db2.gz FINGFCKSLUEHNJ-LJQANCHMSA-N 0 0 482.430 4.738 20 30 JJEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1 ZINC001435188127 1064577312 /nfs/dbraw/zinc/57/73/12/1064577312.db2.gz ZZWADSFDYPGUAL-QFIPXVFZSA-N 0 0 454.530 4.833 20 30 JJEDRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCCC2)C1 ZINC001359885658 1064580863 /nfs/dbraw/zinc/58/08/63/1064580863.db2.gz DRCXKGUWWMCWJX-QFIPXVFZSA-N 0 0 451.615 4.686 20 30 JJEDRN N#Cc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)nc1 ZINC001359886021 1064581295 /nfs/dbraw/zinc/58/12/95/1064581295.db2.gz GKDVPJKHBPBSPM-UHFFFAOYSA-N 0 0 458.319 4.750 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001359891525 1064592757 /nfs/dbraw/zinc/59/27/57/1064592757.db2.gz SKTJLEORWRQPNM-WNCULLNHSA-N 0 0 460.626 4.791 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CC)c1cc(F)ccc1F ZINC001435211626 1064593760 /nfs/dbraw/zinc/59/37/60/1064593760.db2.gz DDSYWZPGGOOTGM-KRWDZBQOSA-N 0 0 453.283 4.644 20 30 JJEDRN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)CSc1ccc(C#N)cc1 ZINC001435215681 1064596688 /nfs/dbraw/zinc/59/66/88/1064596688.db2.gz FVSQAMJLEPQCLH-VXKWHMMOSA-N 0 0 451.592 4.689 20 30 JJEDRN CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001359898951 1064604627 /nfs/dbraw/zinc/60/46/27/1064604627.db2.gz DTPTVUISASZWIV-LVXARBLLSA-N 0 0 465.642 4.932 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001359899324 1064605397 /nfs/dbraw/zinc/60/53/97/1064605397.db2.gz ILCCWGFJAWQRAJ-YADHBBJMSA-N 0 0 466.026 4.853 20 30 JJEDRN CC(C)CC[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001359899321 1064605501 /nfs/dbraw/zinc/60/55/01/1064605501.db2.gz ILCCWGFJAWQRAJ-FCHUYYIVSA-N 0 0 466.026 4.853 20 30 JJEDRN CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359902818 1064616374 /nfs/dbraw/zinc/61/63/74/1064616374.db2.gz VAJOMYHQAJPYMT-NRFANRHFSA-N 0 0 452.603 4.746 20 30 JJEDRN COc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)CC2=O)cc1 ZINC001359905796 1064621016 /nfs/dbraw/zinc/62/10/16/1064621016.db2.gz DOZIWYVRMGNPFG-HXUWFJFHSA-N 0 0 459.933 4.807 20 30 JJEDRN CC1CCN(c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC001435242471 1064621200 /nfs/dbraw/zinc/62/12/00/1064621200.db2.gz VVUDNPBNGZTUKE-UHFFFAOYSA-N 0 0 458.522 4.861 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001435247637 1064625001 /nfs/dbraw/zinc/62/50/01/1064625001.db2.gz OAZNRAFIZCNUFO-UYAOXDASSA-N 0 0 457.368 4.626 20 30 JJEDRN CC(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001359912270 1064630602 /nfs/dbraw/zinc/63/06/02/1064630602.db2.gz RNWCQSRTQIBGNY-UHFFFAOYSA-N 0 0 468.005 4.856 20 30 JJEDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001435264121 1064640901 /nfs/dbraw/zinc/64/09/01/1064640901.db2.gz HAMVRPIQIDLKOE-UUOWRZLLSA-N 0 0 454.530 4.684 20 30 JJEDRN CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359921462 1064647957 /nfs/dbraw/zinc/64/79/57/1064647957.db2.gz JECQWKAEHNDPBD-JOCHJYFZSA-N 0 0 496.656 4.858 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(F)(F)F ZINC001359926130 1064657353 /nfs/dbraw/zinc/65/73/53/1064657353.db2.gz DBEWTDTTYFUQFM-UHFFFAOYSA-N 0 0 485.576 4.703 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(F)c1 ZINC001359926451 1064658779 /nfs/dbraw/zinc/65/87/79/1064658779.db2.gz OTNZSGOMUKOOFV-UHFFFAOYSA-N 0 0 473.394 5.000 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@@H](F)C1 ZINC001359926371 1064658943 /nfs/dbraw/zinc/65/89/43/1064658943.db2.gz MBFPBMMSDZFGNZ-DOTOQJQBSA-N 0 0 451.388 4.940 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)O[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)CC2=O)cc1 ZINC001435282288 1064659512 /nfs/dbraw/zinc/65/95/12/1064659512.db2.gz BVFHEVFTIIPVAL-KSSFIOAISA-N 0 0 456.342 4.777 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)O[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)CC2=O)cc1 ZINC001435282286 1064659654 /nfs/dbraw/zinc/65/96/54/1064659654.db2.gz BVFHEVFTIIPVAL-KBXCAEBGSA-N 0 0 456.342 4.777 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc32)n1CCNC(=O)OC(C)(C)C ZINC001359926782 1064660399 /nfs/dbraw/zinc/66/03/99/1064660399.db2.gz BOOKUBPWIBNEQM-UHFFFAOYSA-N 0 0 465.602 4.717 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1c1cnn(C)c1 ZINC001359926816 1064660513 /nfs/dbraw/zinc/66/05/13/1064660513.db2.gz CUDBZPKNBZRBGC-HXUWFJFHSA-N 0 0 499.038 4.906 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc32)n1Cc1nccn1C(F)F ZINC001359926779 1064660585 /nfs/dbraw/zinc/66/05/85/1064660585.db2.gz BLBKJHNGLRAOCJ-UHFFFAOYSA-N 0 0 452.513 4.832 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Br)cc2)n1CCC1(O)CCC1 ZINC001359926851 1064661067 /nfs/dbraw/zinc/66/10/67/1064661067.db2.gz DSHNMFAPCDGZRS-UHFFFAOYSA-N 0 0 460.420 4.779 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cn(C)c3ccccc23)n1CC1([S@@](C)=O)CCC1 ZINC001359927136 1064662444 /nfs/dbraw/zinc/66/24/44/1064662444.db2.gz OPPZONCHHIRJFI-MGBGTMOVSA-N 0 0 466.655 4.504 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@](C)(O)C1CCCCC1 ZINC001359927062 1064662541 /nfs/dbraw/zinc/66/25/41/1064662541.db2.gz MIDVULBIWSHHBS-AREMUKBSSA-N 0 0 467.614 4.771 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Br)s2)n1CCc1ccn(C)n1 ZINC001359927216 1064663148 /nfs/dbraw/zinc/66/31/48/1064663148.db2.gz RHGXZPGYVBMDKT-UHFFFAOYSA-N 0 0 476.448 4.511 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CSCCS1 ZINC001359927219 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CC(C)CCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001359970066 1064745904 /nfs/dbraw/zinc/74/59/04/1064745904.db2.gz FLDCCVCZPPRUSF-DNQXCXABSA-N 0 0 451.615 4.523 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)c2)cc1 ZINC001359977237 1064753767 /nfs/dbraw/zinc/75/37/67/1064753767.db2.gz LORWMNKVGVCOAA-SFHVURJKSA-N 0 0 456.889 4.867 20 30 JJEDRN CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C(F)F)N1CCOCC1)C1CCCC1 ZINC001359984975 1064763361 /nfs/dbraw/zinc/76/33/61/1064763361.db2.gz FUVXZNUOHDKWNQ-QHCPKHFHSA-N 0 0 486.611 4.578 20 30 JJEDRN Cc1ccccc1O[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C#N)CC1 ZINC001492596771 1064776594 /nfs/dbraw/zinc/77/65/94/1064776594.db2.gz NTOKIQNBFRYKBO-KRWDZBQOSA-N 0 0 483.414 4.942 20 30 JJEDRN Cc1ccccc1O[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C#N)CC1 ZINC001492596772 1064776695 /nfs/dbraw/zinc/77/66/95/1064776695.db2.gz NTOKIQNBFRYKBO-QGZVFWFLSA-N 0 0 483.414 4.942 20 30 JJEDRN CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CCc1cnc2c(Cl)cnn2c1)C(C)C ZINC001359993535 1064777195 /nfs/dbraw/zinc/77/71/95/1064777195.db2.gz WMUYTLFBOSENOV-UHFFFAOYSA-N 0 0 493.015 4.538 20 30 JJEDRN CCOc1cc(Br)ccc1NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001435476450 1064780339 /nfs/dbraw/zinc/78/03/39/1064780339.db2.gz YJXCMAPNKHQQOX-MRXNPFEDSA-N 0 0 454.365 4.764 20 30 JJEDRN COc1cc(C#N)cc(Br)c1OC(=O)c1nn(-c2ccccc2C)c2c1CCC2 ZINC001435484637 1064784404 /nfs/dbraw/zinc/78/44/04/1064784404.db2.gz YUPPEDJCPFWPQN-UHFFFAOYSA-N 0 0 452.308 4.531 20 30 JJEDRN C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)C1 ZINC001435562018 1064833720 /nfs/dbraw/zinc/83/37/20/1064833720.db2.gz GGCSZVJPJHGWHJ-NPMABZOXSA-N 0 0 456.329 4.996 20 30 JJEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)C1 ZINC001435562014 1064833752 /nfs/dbraw/zinc/83/37/52/1064833752.db2.gz GGCSZVJPJHGWHJ-JCQPUDPBSA-N 0 0 456.329 4.996 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC001435606787 1064870254 /nfs/dbraw/zinc/87/02/54/1064870254.db2.gz UDUGCCXMCNWGLO-UHFFFAOYSA-N 0 0 453.502 4.817 20 30 JJEDRN CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCC2)n1 ZINC001360049265 1064871504 /nfs/dbraw/zinc/87/15/04/1064871504.db2.gz PWZUFIJXAJJJJX-FPOVZHCZSA-N 0 0 475.597 4.926 20 30 JJEDRN CC(C)COc1cccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)c1 ZINC001360050698 1064876771 /nfs/dbraw/zinc/87/67/71/1064876771.db2.gz ZTYACZPJUFDMNI-QGZVFWFLSA-N 0 0 485.430 4.725 20 30 JJEDRN CC(C)COc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H](C)C#N)c1 ZINC001360052144 1064880111 /nfs/dbraw/zinc/88/01/11/1064880111.db2.gz JSSFSPGXBSAQOQ-WWPVKYPJSA-N 0 0 453.631 4.876 20 30 JJEDRN CC(C)COc1ccccc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N ZINC001360054032 1064882841 /nfs/dbraw/zinc/88/28/41/1064882841.db2.gz HBGIZLBGUXWEFM-ILWGZMRPSA-N 0 0 496.656 4.870 20 30 JJEDRN N#Cc1cc(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c(Cl)c([N+](=O)[O-])c1 ZINC001435632055 1064893345 /nfs/dbraw/zinc/89/33/45/1064893345.db2.gz LNILGKLRZULTPF-UHFFFAOYSA-N 0 0 453.739 4.716 20 30 JJEDRN N#Cc1ccc(-n2ccc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)n2)c(Cl)c1 ZINC001435651446 1064908788 /nfs/dbraw/zinc/90/87/88/1064908788.db2.gz JHLGKBWXTYWIQJ-UHFFFAOYSA-N 0 0 450.861 4.548 20 30 JJEDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001360068391 1064913421 /nfs/dbraw/zinc/91/34/21/1064913421.db2.gz UZJDCGYOHOXGIG-UHFFFAOYSA-N 0 0 451.910 4.875 20 30 JJEDRN CC(C)CSCCCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001360077844 1064931359 /nfs/dbraw/zinc/93/13/59/1064931359.db2.gz YJZXBTJJTGIIDI-UHFFFAOYSA-N 0 0 452.672 4.519 20 30 JJEDRN CC(C)CSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC#N)CC1 ZINC001360080156 1064937193 /nfs/dbraw/zinc/93/71/93/1064937193.db2.gz BMRWQVYHWMPIMN-UHFFFAOYSA-N 0 0 451.438 4.555 20 30 JJEDRN CC(C)CSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360080973 1064939434 /nfs/dbraw/zinc/93/94/34/1064939434.db2.gz XJCFYCQHNPBYHB-FQEVSTJZSA-N 0 0 482.698 4.583 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC001360081692 1064941013 /nfs/dbraw/zinc/94/10/13/1064941013.db2.gz QHWIYEOCGMWZCS-UHFFFAOYSA-N 0 0 455.514 4.850 20 30 JJEDRN N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCC(=O)N1CCOc2ccccc21 ZINC001360082318 1064941446 /nfs/dbraw/zinc/94/14/46/1064941446.db2.gz WDYKCYGDELVBNX-UHFFFAOYSA-N 0 0 459.933 4.951 20 30 JJEDRN CC(C)CSCCn1c(-c2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001360082999 1064943906 /nfs/dbraw/zinc/94/39/06/1064943906.db2.gz SOUYKFQYEUSUTQ-UHFFFAOYSA-N 0 0 462.623 4.649 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001360084154 1064946735 /nfs/dbraw/zinc/94/67/35/1064946735.db2.gz FCFQXBIZDKHIHU-KRWDZBQOSA-N 0 0 451.773 4.670 20 30 JJEDRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 ZINC001435702940 1064947391 /nfs/dbraw/zinc/94/73/91/1064947391.db2.gz KPBFASGRYRASJM-SBUREZEXSA-N 0 0 455.986 4.719 20 30 JJEDRN CC1(C(=O)Nc2ccnc(OCC(F)(F)F)c2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001435716314 1064952972 /nfs/dbraw/zinc/95/29/72/1064952972.db2.gz NZNUCFMICFTWQG-UHFFFAOYSA-N 0 0 452.864 4.793 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC001435720748 1064955156 /nfs/dbraw/zinc/95/51/56/1064955156.db2.gz NJSUWAAKHUSPCQ-CQSZACIVSA-N 0 0 451.283 4.582 20 30 JJEDRN CC(C)(C)c1cc(NC(=O)c2cnn(C(C)(C)C)c2I)c(C#N)s1 ZINC001435754037 1064978106 /nfs/dbraw/zinc/97/81/06/1064978106.db2.gz WJIVLPSXWCJZOP-UHFFFAOYSA-N 0 0 456.353 4.726 20 30 JJEDRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001360099784 1064978643 /nfs/dbraw/zinc/97/86/43/1064978643.db2.gz PRFFIQNYZBOFNS-UHFFFAOYSA-N 0 0 453.498 4.943 20 30 JJEDRN CCc1nc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001435758356 1064979473 /nfs/dbraw/zinc/97/94/73/1064979473.db2.gz KIHZRNFPIWYOKH-UHFFFAOYSA-N 0 0 452.345 4.938 20 30 JJEDRN N#C[C@H](NC(=O)c1cccc(C(=O)N2CCCCC2)c1)c1ccc(OCc2ccccc2)cc1 ZINC001435766551 1064982380 /nfs/dbraw/zinc/98/23/80/1064982380.db2.gz MJCMHSXAPGCUQK-SANMLTNESA-N 0 0 453.542 4.886 20 30 JJEDRN CC(C)c1ccc([C@H]2CCCCN2C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC001435767978 1064983547 /nfs/dbraw/zinc/98/35/47/1064983547.db2.gz SMWZSRUZOQCZCS-BJKOFHAPSA-N 0 0 458.562 4.640 20 30 JJEDRN CC(C)c1ccc([C@H]2CCCCN2C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC001435767981 1064983566 /nfs/dbraw/zinc/98/35/66/1064983566.db2.gz SMWZSRUZOQCZCS-DNQXCXABSA-N 0 0 458.562 4.640 20 30 JJEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC001435792911 1064992945 /nfs/dbraw/zinc/99/29/45/1064992945.db2.gz VLPRHKDAWKQYCV-GOSISDBHSA-N 0 0 455.864 4.614 20 30 JJEDRN N#C[C@H](NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)c1c(Cl)cccc1Cl ZINC001435803287 1065000526 /nfs/dbraw/zinc/00/05/26/1065000526.db2.gz MSSBXBUABXZBQK-HNNXBMFYSA-N 0 0 455.132 4.935 20 30 JJEDRN CCc1c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)nnn1-c1ccc(OC(C)C)cc1 ZINC001435803890 1065000648 /nfs/dbraw/zinc/00/06/48/1065000648.db2.gz QXSQKVIWQVBAOS-SFHVURJKSA-N 0 0 458.349 4.918 20 30 JJEDRN CC(C)N(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1 ZINC001360121392 1065009679 /nfs/dbraw/zinc/00/96/79/1065009679.db2.gz RXHNKNPTYQCJGG-UHFFFAOYSA-N 0 0 490.608 4.529 20 30 JJEDRN N#Cc1cccnc1-n1cc(NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)cn1 ZINC001435830392 1065013864 /nfs/dbraw/zinc/01/38/64/1065013864.db2.gz MPHQQKUXSFNECR-UHFFFAOYSA-N 0 0 451.273 4.885 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N2[C@H](C)Cc3cc(OC)ccc3[C@H]2C)nnc1-c1ccco1 ZINC001435852097 1065024218 /nfs/dbraw/zinc/02/42/18/1065024218.db2.gz CYJJASDTEFFJEV-IAGOWNOFSA-N 0 0 452.580 4.749 20 30 JJEDRN CN(C(=O)c1ccc(F)c(S(C)(=O)=O)c1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001435864603 1065031465 /nfs/dbraw/zinc/03/14/65/1065031465.db2.gz NQQYVNYVPFBETL-HNNXBMFYSA-N 0 0 457.367 4.624 20 30 JJEDRN 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LPWQSVUSEIJCGH-QFIPXVFZSA-N 0 0 455.473 4.854 20 30 JJEDRN C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC001435976731 1065089247 /nfs/dbraw/zinc/08/92/47/1065089247.db2.gz OZAOWUDIZNOCIL-CTNGQTDRSA-N 0 0 459.340 4.570 20 30 JJEDRN COc1ccccc1C[C@@H]1CCC[C@H]1OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001435986043 1065093314 /nfs/dbraw/zinc/09/33/14/1065093314.db2.gz FHUIPEQEBRWBTE-GEQKSPFYSA-N 0 0 452.938 4.528 20 30 JJEDRN N#Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)ccc1Oc1ccccc1 ZINC001435998772 1065100784 /nfs/dbraw/zinc/10/07/84/1065100784.db2.gz RUTNSHIKJYWUKT-HXUWFJFHSA-N 0 0 455.514 4.607 20 30 JJEDRN C=CC[C@]1(C(=O)NCc2cccc(OC)c2OC2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001360271804 1065113641 /nfs/dbraw/zinc/11/36/41/1065113641.db2.gz XSACHJJITPFFJK-AREMUKBSSA-N 0 0 458.599 4.979 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1OC ZINC001436032003 1065128747 /nfs/dbraw/zinc/12/87/47/1065128747.db2.gz CHZZOZNQUNTEDN-ZOTQCUMXSA-N 0 0 456.583 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N#Cc1ccc(N2CCN(C(=O)c3csc(Cc4ccc(Cl)cc4)n3)CC2)c(Cl)c1 ZINC001436068242 1065157376 /nfs/dbraw/zinc/15/73/76/1065157376.db2.gz RJAHOYYVHVURAG-UHFFFAOYSA-N 0 0 457.386 4.875 20 30 JJEDRN CC(C)O[C@]1(c2nnc(N(C)CC(F)(F)F)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CCOC1 ZINC001360321163 1065158694 /nfs/dbraw/zinc/15/86/94/1065158694.db2.gz JXZGIZCZJZUEKD-VQIMIIECSA-N 0 0 498.443 4.938 20 30 JJEDRN N#Cc1ccc(N2CCN(C(=O)Cc3cc(Br)ccc3Cl)CC2)c(Cl)c1 ZINC001436069448 1065158938 /nfs/dbraw/zinc/15/89/38/1065158938.db2.gz FFTIQPYVUSMJNC-UHFFFAOYSA-N 0 0 453.167 4.519 20 30 JJEDRN CCCc1sc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1Br ZINC001436070039 1065158978 /nfs/dbraw/zinc/15/89/78/1065158978.db2.gz MEIBYRIXGUARDT-UHFFFAOYSA-N 0 0 452.805 4.951 20 30 JJEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC001436071967 1065160981 /nfs/dbraw/zinc/16/09/81/1065160981.db2.gz NDFVYJRQTRWMHD-WIYYLYMNSA-N 0 0 457.368 4.721 20 30 JJEDRN Cc1ccc(C(=O)Oc2ccc(C#N)cc2I)c(C)c1Br ZINC001436072510 1065161790 /nfs/dbraw/zinc/16/17/90/1065161790.db2.gz BFTGITSHQQZZGM-UHFFFAOYSA-N 0 0 456.077 4.761 20 30 JJEDRN COc1cc(I)ccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC001360342685 1065192320 /nfs/dbraw/zinc/19/23/20/1065192320.db2.gz SKSFIDUSCSNLOX-LBPRGKRZSA-N 0 0 452.317 4.946 20 30 JJEDRN COc1cc(I)ccc1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC001360342684 1065192404 /nfs/dbraw/zinc/19/24/04/1065192404.db2.gz SKSFIDUSCSNLOX-GFCCVEGCSA-N 0 0 452.317 4.946 20 30 JJEDRN N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@H]3C(=O)OCc3ccccc3)c2)c1 ZINC001436121268 1065194297 /nfs/dbraw/zinc/19/42/97/1065194297.db2.gz OVDXBTTUQQTIII-SANMLTNESA-N 0 0 454.526 4.875 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)ccc1OC ZINC001360352023 1065199205 /nfs/dbraw/zinc/19/92/05/1065199205.db2.gz YTBGKQPWKSEDQW-LJQANCHMSA-N 0 0 450.926 4.725 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cc2c(Cl)cccc2Br)ccc1OC ZINC001360352005 1065199243 /nfs/dbraw/zinc/19/92/43/1065199243.db2.gz YFBSGJJYQCSXSF-CQSZACIVSA-N 0 0 451.748 4.651 20 30 JJEDRN O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC001436127889 1065201310 /nfs/dbraw/zinc/20/13/10/1065201310.db2.gz DHNNKYLWZVRMFU-UHFFFAOYSA-N 0 0 452.326 4.734 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)ccc1OC ZINC001360355322 1065204704 /nfs/dbraw/zinc/20/47/04/1065204704.db2.gz SBAAWVKGDBHYPX-FQEVSTJZSA-N 0 0 452.514 4.916 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)CCCc2ccc(Br)s2)ccc1OC ZINC001360355261 1065204772 /nfs/dbraw/zinc/20/47/72/1065204772.db2.gz QCCCWKYTERBLOQ-OAHLLOKOSA-N 0 0 451.386 4.839 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)ccc1OC ZINC001360355497 1065205329 /nfs/dbraw/zinc/20/53/29/1065205329.db2.gz WYGDERYWWSYVSP-QGZVFWFLSA-N 0 0 459.333 4.799 20 30 JJEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001436140004 1065210275 /nfs/dbraw/zinc/21/02/75/1065210275.db2.gz BMQJMXRUFMVQGA-SFHVURJKSA-N 0 0 453.546 4.607 20 30 JJEDRN N#Cc1cnc(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(Cl)c1 ZINC001360363415 1065219338 /nfs/dbraw/zinc/21/93/38/1065219338.db2.gz ASPZFJRMAQFQLH-UHFFFAOYSA-N 0 0 458.827 4.808 20 30 JJEDRN CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360365233 1065223256 /nfs/dbraw/zinc/22/32/56/1065223256.db2.gz ZWKZBTCRNRYWIN-AREMUKBSSA-N 0 0 451.615 4.542 20 30 JJEDRN CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC2CCCCCC2)CC1 ZINC001360365046 1065223283 /nfs/dbraw/zinc/22/32/83/1065223283.db2.gz XMSDPPKZERZXBE-UHFFFAOYSA-N 0 0 451.615 4.950 20 30 JJEDRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC001360370059 1065228981 /nfs/dbraw/zinc/22/89/81/1065228981.db2.gz CTXFZJLZQHYDIX-HKBOAZHASA-N 0 0 477.531 4.741 20 30 JJEDRN N#Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)nc2ccccc12 ZINC001436179346 1065232193 /nfs/dbraw/zinc/23/21/93/1065232193.db2.gz LPAAHZRJANLTGR-HNNXBMFYSA-N 0 0 453.329 4.904 20 30 JJEDRN CC(C)OCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001360382803 1065244827 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C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3Cl)n2Cc2cccnc2OCC(F)F)C1 ZINC001360783286 1065895388 /nfs/dbraw/zinc/89/53/88/1065895388.db2.gz HBVBUCMEBINUTL-HSZRJFAPSA-N 0 0 472.927 4.816 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3Cl)n2Cc2cccnc2OCC(F)F)C1 ZINC001360783287 1065895393 /nfs/dbraw/zinc/89/53/93/1065895393.db2.gz HBVBUCMEBINUTL-QHCPKHFHSA-N 0 0 472.927 4.816 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001360783417 1065895439 /nfs/dbraw/zinc/89/54/39/1065895439.db2.gz JJGSUGZJYLHXSV-KOSHJBKYSA-N 0 0 486.020 4.523 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOc2ncccc2F)C1 ZINC001360783565 1065895752 /nfs/dbraw/zinc/89/57/52/1065895752.db2.gz MOFUHTOPNQKRQD-QFIPXVFZSA-N 0 0 475.355 4.995 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(Cl)nc2)C1 ZINC001360783871 1065897393 /nfs/dbraw/zinc/89/73/93/1065897393.db2.gz SYDOPHBLMRYQNC-QFIPXVFZSA-N 0 0 458.900 4.773 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCc2nccs2)C1 ZINC001360785158 1065899171 /nfs/dbraw/zinc/89/91/71/1065899171.db2.gz QQIMYHFSHLZRNO-CLOONOSVSA-N 0 0 499.685 4.612 20 30 JJEDRN CC(C)(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360784980 1065899231 /nfs/dbraw/zinc/89/92/31/1065899231.db2.gz NGIIKBOCMBCVSF-UVWWXKGLSA-N 0 0 453.606 4.979 20 30 JJEDRN C[C@@](O)(Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)c1ccco1 ZINC001360787815 1065900981 /nfs/dbraw/zinc/90/09/81/1065900981.db2.gz DAALYJZIRSEGSW-XZOQPEGZSA-N 0 0 490.391 4.795 20 30 JJEDRN C[C@](O)(Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1)c1ccco1 ZINC001360787814 1065901198 /nfs/dbraw/zinc/90/11/98/1065901198.db2.gz DAALYJZIRSEGSW-PKTZIBPZSA-N 0 0 490.391 4.795 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2cccn2)C1 ZINC001360788045 1065902064 /nfs/dbraw/zinc/90/20/64/1065902064.db2.gz JYLJANNHEJXPEP-JOCHJYFZSA-N 0 0 474.396 4.581 20 30 JJEDRN CC(C)(C)c1nccc(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C)(C#N)CC2)n1 ZINC001360788754 1065903001 /nfs/dbraw/zinc/90/30/01/1065903001.db2.gz CYBNMPVVSZGJJE-UHFFFAOYSA-N 0 0 479.032 4.844 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001360788788 1065903066 /nfs/dbraw/zinc/90/30/66/1065903066.db2.gz FGAGNLRXETXHMG-NVXWUHKLSA-N 0 0 476.394 4.528 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccccc3Br)n2CCCOCC2CC2)CC1 ZINC001360788802 1065903246 /nfs/dbraw/zinc/90/32/46/1065903246.db2.gz FWURKQZGQUZPDI-UHFFFAOYSA-N 0 0 458.404 4.654 20 30 JJEDRN CC(C)(C)OC(=O)N(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(C#N)CC1)C1CC1 ZINC001360789016 1065903612 /nfs/dbraw/zinc/90/36/12/1065903612.db2.gz NYPKFLOFHIBKDI-UHFFFAOYSA-N 0 0 486.020 4.523 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOc2ncccc2F)CC1 ZINC001360789155 1065904101 /nfs/dbraw/zinc/90/41/01/1065904101.db2.gz UFVKOOIYRDGPRW-UHFFFAOYSA-N 0 0 475.355 4.995 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001360789074 1065904127 /nfs/dbraw/zinc/90/41/27/1065904127.db2.gz QOUHFBYEEBKEOP-UHFFFAOYSA-N 0 0 491.905 4.508 20 30 JJEDRN C[C@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC(C)(C#N)CC2)CCCO1 ZINC001360789254 1065904176 /nfs/dbraw/zinc/90/41/76/1065904176.db2.gz YASKLGOXEGVOSK-OAQYLSRUSA-N 0 0 462.367 4.546 20 30 JJEDRN CC(C)(C)Oc1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)cn1 ZINC001360790663 1065905518 /nfs/dbraw/zinc/90/55/18/1065905518.db2.gz GHJVBESZXMJTPH-UHFFFAOYSA-N 0 0 462.573 4.759 20 30 JJEDRN CC(F)(F)c1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C)(C#N)CC2)c1 ZINC001360792113 1065906460 /nfs/dbraw/zinc/90/64/60/1065906460.db2.gz GLKVCLQJDLDKNM-UHFFFAOYSA-N 0 0 484.576 4.560 20 30 JJEDRN CC1(C#N)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2cccn2)CC1 ZINC001360792507 1065906967 /nfs/dbraw/zinc/90/69/67/1065906967.db2.gz SQNWJWVHFIXBKO-UHFFFAOYSA-N 0 0 474.396 4.581 20 30 JJEDRN C[C@](O)(Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C)(C#N)CC1)c1ccco1 ZINC001360792710 1065907478 /nfs/dbraw/zinc/90/74/78/1065907478.db2.gz ZJYHWXOBOANLIQ-QHCPKHFHSA-N 0 0 490.391 4.795 20 30 JJEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001440163913 1065919074 /nfs/dbraw/zinc/91/90/74/1065919074.db2.gz DKITZTNOMCZVEZ-UHFFFAOYSA-N 0 0 457.368 4.686 20 30 JJEDRN CC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001360813926 1065926819 /nfs/dbraw/zinc/92/68/19/1065926819.db2.gz IBUSDUGWEUHTEY-UHFFFAOYSA-N 0 0 452.509 4.530 20 30 JJEDRN O=C(N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cc(F)c(C(F)(F)F)cc1F ZINC001440296141 1065928593 /nfs/dbraw/zinc/92/85/93/1065928593.db2.gz LFNSFEPXCYHLAL-SFHVURJKSA-N 0 0 452.345 4.920 20 30 JJEDRN O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001360820550 1065933495 /nfs/dbraw/zinc/93/34/95/1065933495.db2.gz FKKRRFNOEMBDDN-JTQLQIEISA-N 0 0 452.317 4.859 20 30 JJEDRN CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)CC(C)(C)O1 ZINC001360820657 1065933990 /nfs/dbraw/zinc/93/39/90/1065933990.db2.gz FLVAOYPEVPNUJJ-UHFFFAOYSA-N 0 0 476.528 4.734 20 30 JJEDRN C=CCn1c(SCC(=O)N(C)c2c(C)noc2C)nnc1-c1ccc(Cl)cc1Cl ZINC001360823900 1065937572 /nfs/dbraw/zinc/93/75/72/1065937572.db2.gz ZOPZCKGUZDZGCV-UHFFFAOYSA-N 0 0 452.367 4.798 20 30 JJEDRN CCOC(=O)c1csc(N(C)C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1 ZINC001360823798 1065937654 /nfs/dbraw/zinc/93/76/54/1065937654.db2.gz VNVRZPYFWCZCQX-UHFFFAOYSA-N 0 0 458.355 4.886 20 30 JJEDRN N#Cc1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1Br ZINC001440399310 1065938405 /nfs/dbraw/zinc/93/84/05/1065938405.db2.gz WXTLKMAPSBUXFF-OAHLLOKOSA-N 0 0 456.365 4.715 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[C@H](C)C2)ccc1Cl ZINC001360828480 1065940293 /nfs/dbraw/zinc/94/02/93/1065940293.db2.gz RNBLODDYDSQLQN-HZPDHXFCSA-N 0 0 450.963 4.588 20 30 JJEDRN N#Cc1sccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001440478216 1065943059 /nfs/dbraw/zinc/94/30/59/1065943059.db2.gz FJFMDBYHZPSQBU-UHFFFAOYSA-N 0 0 451.451 4.692 20 30 JJEDRN C[C@@H](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1C(F)(F)F ZINC001440526806 1065947904 /nfs/dbraw/zinc/94/79/04/1065947904.db2.gz DFWLCNBUNSPTSW-HNNXBMFYSA-N 0 0 458.440 4.667 20 30 JJEDRN Cc1c(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001545933453 1065948487 /nfs/dbraw/zinc/94/84/87/1065948487.db2.gz KNHNTWCDFFSFOM-HSZRJFAPSA-N 0 0 457.534 4.525 20 30 JJEDRN Cc1sc(C)c(Cn2c(-c3cccnc3)nnc2N2CCC(C#N)CC2)c1Br ZINC001360848626 1065957064 /nfs/dbraw/zinc/95/70/64/1065957064.db2.gz AAHJXKJZBNOUDU-UHFFFAOYSA-N 0 0 457.401 4.569 20 30 JJEDRN Cc1sc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)c1Br ZINC001360849671 1065959682 /nfs/dbraw/zinc/95/96/82/1065959682.db2.gz WOXCEUJCWKMNJS-UHFFFAOYSA-N 0 0 496.438 4.639 20 30 JJEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001360851202 1065963672 /nfs/dbraw/zinc/96/36/72/1065963672.db2.gz BBKKBUAVDMLYSU-FQEVSTJZSA-N 0 0 455.418 4.698 20 30 JJEDRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001440680788 1065964844 /nfs/dbraw/zinc/96/48/44/1065964844.db2.gz KMTYZAZBFSTFAN-HSZRJFAPSA-N 0 0 458.528 4.964 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001440735264 1065972652 /nfs/dbraw/zinc/97/26/52/1065972652.db2.gz RJBVNMRNUGUSRY-QFIPXVFZSA-N 0 0 450.970 4.657 20 30 JJEDRN N#Cc1ccc(OCc2cccc(C(=O)NC3CCN(C(=O)Nc4ccccc4)CC3)c2)cc1 ZINC001440778501 1065978886 /nfs/dbraw/zinc/97/88/86/1065978886.db2.gz CHVDZQHCQHWQOE-UHFFFAOYSA-N 0 0 454.530 4.564 20 30 JJEDRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC001440811621 1065980370 /nfs/dbraw/zinc/98/03/70/1065980370.db2.gz PXPGFFXPWIERLO-UHFFFAOYSA-N 0 0 459.308 4.930 20 30 JJEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC001440872449 1065986869 /nfs/dbraw/zinc/98/68/69/1065986869.db2.gz MAHISONGPHQQDJ-NRFANRHFSA-N 0 0 459.343 4.841 20 30 JJEDRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360866357 1065988462 /nfs/dbraw/zinc/98/84/62/1065988462.db2.gz RPEVBQSADKYRKB-QUCCMNQESA-N 0 0 482.629 4.640 20 30 JJEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)cc1 ZINC001440890943 1065990290 /nfs/dbraw/zinc/99/02/90/1065990290.db2.gz BOIJQENIGPXSFD-UHFFFAOYSA-N 0 0 454.534 4.812 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)c1C ZINC001360869346 1065997409 /nfs/dbraw/zinc/99/74/09/1065997409.db2.gz GOFLRFVMKLTORY-KSEOMHKRSA-N 0 0 451.615 4.980 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2CCO[C@H](C)C2)c1C ZINC001360869344 1065997513 /nfs/dbraw/zinc/99/75/13/1065997513.db2.gz GOFLRFVMKLTORY-CEMLEFRQSA-N 0 0 451.615 4.980 20 30 JJEDRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001441078570 1066006248 /nfs/dbraw/zinc/00/62/48/1066006248.db2.gz NFCRCEZTAMVUTE-KRWDZBQOSA-N 0 0 451.338 4.842 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2cccs2)c1C ZINC001360873195 1066008412 /nfs/dbraw/zinc/00/84/12/1066008412.db2.gz FYWOFVUSZNIKKE-HXUWFJFHSA-N 0 0 492.649 4.657 20 30 JJEDRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccncc2Cl)c1C ZINC001360875216 1066017281 /nfs/dbraw/zinc/01/72/81/1066017281.db2.gz XSNRZCLTOOZAQA-SBUREZEXSA-N 0 0 454.937 4.574 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)c1C ZINC001360875870 1066020073 /nfs/dbraw/zinc/02/00/73/1066020073.db2.gz ZZRBGLQNMZGUON-FMGHJNRGSA-N 0 0 494.684 4.522 20 30 JJEDRN N#CC[C@H](CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 ZINC001441392020 1066036792 /nfs/dbraw/zinc/03/67/92/1066036792.db2.gz WLHGJKSTOJSKAP-QGZVFWFLSA-N 0 0 455.486 4.792 20 30 JJEDRN CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001360885004 1066039584 /nfs/dbraw/zinc/03/95/84/1066039584.db2.gz OMWITASCQFPNDB-UHFFFAOYSA-N 0 0 468.483 4.748 20 30 JJEDRN CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001360892879 1066045332 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ZINC001442063459 1066088800 /nfs/dbraw/zinc/08/88/00/1066088800.db2.gz YNZBELQOAMNXQU-UHFFFAOYSA-N 0 0 450.371 4.755 20 30 JJEDRN C=CC1(CC(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001442155627 1066098034 /nfs/dbraw/zinc/09/80/34/1066098034.db2.gz TZTMOFTULJPYQF-HSZRJFAPSA-N 0 0 454.542 4.853 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC001442181229 1066099651 /nfs/dbraw/zinc/09/96/51/1066099651.db2.gz XRWBFAPREWIPGY-QGZVFWFLSA-N 0 0 453.514 4.867 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cc1 ZINC001442230847 1066105053 /nfs/dbraw/zinc/10/50/53/1066105053.db2.gz FBONJEUWYVPTFR-UHFFFAOYSA-N 0 0 453.252 4.856 20 30 JJEDRN Cc1nnsc1Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)C[C@@H](C)C#N ZINC001360960319 1066119091 /nfs/dbraw/zinc/11/90/91/1066119091.db2.gz IRTHCAWJERJVBI-ZDUSSCGKSA-N 0 0 453.572 4.617 20 30 JJEDRN C#CC[C@]1(C(=O)OCc2csc(-c3ccc(OC)cc3)n2)CCCN1C(=O)OC(C)(C)C ZINC001360961997 1066121138 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NBLLCHDYVJWGBC-UHFFFAOYSA-N 0 0 455.971 4.700 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)OCc1ccc(Br)cc1Cl ZINC001360984544 1066146747 /nfs/dbraw/zinc/14/67/47/1066146747.db2.gz AKDPWZCOFNBTLF-UHFFFAOYSA-N 0 0 459.521 4.859 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccc(C#N)o1 ZINC001360986593 1066153298 /nfs/dbraw/zinc/15/32/98/1066153298.db2.gz HUHRMIGNTJQTAY-QGZVFWFLSA-N 0 0 479.972 4.571 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)C(C)C ZINC001360989392 1066161213 /nfs/dbraw/zinc/16/12/13/1066161213.db2.gz DJHSGYUALCJCAG-LJQANCHMSA-N 0 0 487.048 4.591 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCc1cn[nH]c1 ZINC001360989470 1066161404 /nfs/dbraw/zinc/16/14/04/1066161404.db2.gz FQAGFSUAKFZPMB-SFHVURJKSA-N 0 0 468.005 4.784 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360990252 1066167070 /nfs/dbraw/zinc/16/70/70/1066167070.db2.gz RSKOOBDESSRSOF-KUDFPVQQSA-N 0 0 483.922 4.555 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(C)COC1 ZINC001360990422 1066167507 /nfs/dbraw/zinc/16/75/07/1066167507.db2.gz VHTJGRNZIMCKLA-SFHVURJKSA-N 0 0 458.006 4.855 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCOC[C@@H]1C ZINC001360990532 1066167979 /nfs/dbraw/zinc/16/79/79/1066167979.db2.gz WWTGVFNXXHYSEH-YDLHNXBPSA-N 0 0 475.996 4.803 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@](C)(O)c1ccco1 ZINC001360990788 1066169004 /nfs/dbraw/zinc/16/90/04/1066169004.db2.gz ZIGDTQIGTNYEQC-BVZFJXPGSA-N 0 0 484.000 4.929 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)c(C)o1 ZINC001361000422 1066178590 /nfs/dbraw/zinc/17/85/90/1066178590.db2.gz UIVAEHVOSIMZJE-SANMLTNESA-N 0 0 459.550 4.942 20 30 JJEDRN Cc1cccc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)c1 ZINC001361004994 1066183526 /nfs/dbraw/zinc/18/35/26/1066183526.db2.gz WUVIAPAICKLGTA-IAGOWNOFSA-N 0 0 455.404 4.754 20 30 JJEDRN Cc1cc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)c(C)c1 ZINC001361011339 1066194113 /nfs/dbraw/zinc/19/41/13/1066194113.db2.gz PLJQSGIYMIWAIG-UHFFFAOYSA-N 0 0 467.415 4.760 20 30 JJEDRN Cc1cc(C)cc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@@H](C)C#N)c1 ZINC001361017196 1066205751 /nfs/dbraw/zinc/20/57/51/1066205751.db2.gz LTFCJQWCGRZCTQ-JTHBVZDNSA-N 0 0 480.657 4.848 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361018997 1066208647 /nfs/dbraw/zinc/20/86/47/1066208647.db2.gz UXHGMBYQXULWKP-NHCUHLMSSA-N 0 0 484.645 4.715 20 30 JJEDRN N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCCN(c4ccccc4Cl)C3=O)c2)c1 ZINC001361020428 1066210559 /nfs/dbraw/zinc/21/05/59/1066210559.db2.gz VYHPOFAWKVKHLS-QHCPKHFHSA-N 0 0 459.933 4.716 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCCCc1cc(-c2ccccc2)no1 ZINC001442830998 1066228542 /nfs/dbraw/zinc/22/85/42/1066228542.db2.gz ARCJKLZRKZREJA-QFIPXVFZSA-N 0 0 453.583 4.820 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)O1 ZINC001546056912 1066230090 /nfs/dbraw/zinc/23/00/90/1066230090.db2.gz LGHCVDKZDZFCPB-YPHICONVSA-N 0 0 477.531 4.711 20 30 JJEDRN N#Cc1cc(Br)ccc1C(=O)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001454009346 1066233941 /nfs/dbraw/zinc/23/39/41/1066233941.db2.gz ADOCXSNPKCAMPZ-UHFFFAOYSA-N 0 0 457.372 4.846 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@](C)(O)c2cccs2)c1 ZINC001361029018 1066235991 /nfs/dbraw/zinc/23/59/91/1066235991.db2.gz XDJNUVNEHNNJBZ-RUZDIDTESA-N 0 0 465.623 4.573 20 30 JJEDRN Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C ZINC001442964322 1066246751 /nfs/dbraw/zinc/24/67/51/1066246751.db2.gz URNLUISBCRUDDC-XMMPIXPASA-N 0 0 458.562 4.541 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001442975235 1066248949 /nfs/dbraw/zinc/24/89/49/1066248949.db2.gz XMSBURSXERHSFT-OAHLLOKOSA-N 0 0 455.368 4.750 20 30 JJEDRN CCC[C@H]1CCc2nc(NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)sc2C1 ZINC001443015666 1066253275 /nfs/dbraw/zinc/25/32/75/1066253275.db2.gz MONVPRYEWWDXMC-ZDUSSCGKSA-N 0 0 459.413 4.757 20 30 JJEDRN CN(C(=O)c1occc1COc1cccc(C#N)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001361040115 1066262943 /nfs/dbraw/zinc/26/29/43/1066262943.db2.gz IJUJRXAHLGGINS-UHFFFAOYSA-N 0 0 453.539 4.638 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001443099609 1066267559 /nfs/dbraw/zinc/26/75/59/1066267559.db2.gz DITSAWCWDHVCOG-WMTXJRDZSA-N 0 0 461.562 4.887 20 30 JJEDRN C=C(C)COc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)c1 ZINC001443147955 1066272828 /nfs/dbraw/zinc/27/28/28/1066272828.db2.gz KLQXDCGPGVSTMI-UHFFFAOYSA-N 0 0 450.560 4.681 20 30 JJEDRN C=C(C)COc1cccc(NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)c1 ZINC001443149837 1066273794 /nfs/dbraw/zinc/27/37/94/1066273794.db2.gz XFWPHLNGKMRTMF-UHFFFAOYSA-N 0 0 450.539 4.655 20 30 JJEDRN CCOc1ccc(Br)cc1NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001443158251 1066275116 /nfs/dbraw/zinc/27/51/16/1066275116.db2.gz VVBBWFKZYOXNIH-UHFFFAOYSA-N 0 0 451.324 4.979 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2cccc(Br)c2)C1 ZINC001454403347 1066278584 /nfs/dbraw/zinc/27/85/84/1066278584.db2.gz QWSCNFIMYPZWRF-LJQANCHMSA-N 0 0 451.405 4.700 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443220469 1066282182 /nfs/dbraw/zinc/28/21/82/1066282182.db2.gz WRAAJWILUOWPLF-WZONZLPQSA-N 0 0 454.542 4.889 20 30 JJEDRN Cc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCCC(C)C)c(C)n1-c1ccccc1 ZINC001361050295 1066285115 /nfs/dbraw/zinc/28/51/15/1066285115.db2.gz WYKHPPVUIFKQPX-XMMPIXPASA-N 0 0 476.625 4.534 20 30 JJEDRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N)Oc1cccc(F)c1 ZINC001545957040 1066295886 /nfs/dbraw/zinc/29/58/86/1066295886.db2.gz NTHOAWLTHAXJAJ-CRAIPNDOSA-N 0 0 489.393 4.639 20 30 JJEDRN N#C[C@H](NC(=O)c1cc(Br)c(Br)[nH]1)c1c(Cl)cccc1Cl ZINC001443353713 1066299380 /nfs/dbraw/zinc/29/93/80/1066299380.db2.gz CORATCVRQJEEDH-JTQLQIEISA-N 0 0 451.933 4.841 20 30 JJEDRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cs1 ZINC001443356730 1066299831 /nfs/dbraw/zinc/29/98/31/1066299831.db2.gz FFNLDAQJTQFVLS-CYBMUJFWSA-N 0 0 455.367 4.512 20 30 JJEDRN Cc1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)no1 ZINC001361064489 1066303780 /nfs/dbraw/zinc/30/37/80/1066303780.db2.gz GXFBDRQHFMMPBI-UHFFFAOYSA-N 0 0 468.970 4.619 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1OC ZINC001454579167 1066304289 /nfs/dbraw/zinc/30/42/89/1066304289.db2.gz NGZPXJXOCSXRQS-ZZLBYYGFSA-N 0 0 458.599 4.815 20 30 JJEDRN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454597717 1066307719 /nfs/dbraw/zinc/30/77/19/1066307719.db2.gz AQHRKAZHBSMFRO-HSZRJFAPSA-N 0 0 453.586 4.660 20 30 JJEDRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1Cl ZINC001454677315 1066318940 /nfs/dbraw/zinc/31/89/40/1066318940.db2.gz FUWRIQVGVGESGI-XMMPIXPASA-N 0 0 454.958 4.708 20 30 JJEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1 ZINC001443504198 1066320082 /nfs/dbraw/zinc/32/00/82/1066320082.db2.gz AVFHEEGWYYJHDY-JWQCQUIFSA-N 0 0 455.558 4.932 20 30 JJEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1 ZINC001443504204 1066320352 /nfs/dbraw/zinc/32/03/52/1066320352.db2.gz AVFHEEGWYYJHDY-LOSJGSFVSA-N 0 0 455.558 4.932 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C)cc(Br)c2C1 ZINC001454693634 1066320612 /nfs/dbraw/zinc/32/06/12/1066320612.db2.gz OJFRUKZVRGFKPE-QGZVFWFLSA-N 0 0 457.796 4.678 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C)cc(Br)c2C1 ZINC001454693632 1066320688 /nfs/dbraw/zinc/32/06/88/1066320688.db2.gz OJFRUKZVRGFKPE-KRWDZBQOSA-N 0 0 457.796 4.678 20 30 JJEDRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cs1 ZINC001443536070 1066326246 /nfs/dbraw/zinc/32/62/46/1066326246.db2.gz VBFSTLDEXWQXDS-CQSZACIVSA-N 0 0 455.367 4.512 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2C1 ZINC001443537241 1066326567 /nfs/dbraw/zinc/32/65/67/1066326567.db2.gz YGUNVTWRAQNKQC-FQEVSTJZSA-N 0 0 459.468 4.993 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)Cc1ccccc1 ZINC001454731902 1066327838 /nfs/dbraw/zinc/32/78/38/1066327838.db2.gz APUGVCMERRGIMT-QFIPXVFZSA-N 0 0 453.558 4.617 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1OCCC1(C)C ZINC001361087886 1066328296 /nfs/dbraw/zinc/32/82/96/1066328296.db2.gz QDNXCDHKDYCIKH-GHTZIAJQSA-N 0 0 460.022 4.805 20 30 JJEDRN N#Cc1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)c(F)c1 ZINC001443560890 1066328381 /nfs/dbraw/zinc/32/83/81/1066328381.db2.gz ASJZEONDOZZAIN-UHFFFAOYSA-N 0 0 458.276 4.892 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1=CCCOC1 ZINC001361088154 1066329618 /nfs/dbraw/zinc/32/96/18/1066329618.db2.gz GFTWEZNQTRTAIS-VWLOTQADSA-N 0 0 470.017 4.728 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001361088523 1066331470 /nfs/dbraw/zinc/33/14/70/1066331470.db2.gz IXPDNFHQHJGGBO-RLSLOFABSA-N 0 0 490.023 4.899 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCCO1 ZINC001361089439 1066335834 /nfs/dbraw/zinc/33/58/34/1066335834.db2.gz UPSQGEOEEHZQPB-OFVILXPXSA-N 0 0 472.033 4.951 20 30 JJEDRN N#Cc1cc(F)ccc1N1CCN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC001454873915 1066337565 /nfs/dbraw/zinc/33/75/65/1066337565.db2.gz BZWFEYNYPGOSBW-UHFFFAOYSA-N 0 0 451.851 4.750 20 30 JJEDRN Cc1ccc(SCC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c(C)c1 ZINC001443673665 1066347616 /nfs/dbraw/zinc/34/76/16/1066347616.db2.gz KBZOQQOYRUJOMM-HXUWFJFHSA-N 0 0 458.425 4.567 20 30 JJEDRN N#Cc1cccc([C@@H](NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C(F)(F)F)c1 ZINC001455092147 1066359646 /nfs/dbraw/zinc/35/96/46/1066359646.db2.gz JTWFCAIYQZFESI-OAHLLOKOSA-N 0 0 450.770 4.847 20 30 JJEDRN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC2)c1 ZINC001443751744 1066362083 /nfs/dbraw/zinc/36/20/83/1066362083.db2.gz LJHWKMIPVMZDEB-UHFFFAOYSA-N 0 0 458.889 4.586 20 30 JJEDRN C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Oc1ccc(Br)cc1 ZINC001361114240 1066365980 /nfs/dbraw/zinc/36/59/80/1066365980.db2.gz FEDBDZRYJFXGLC-OAHLLOKOSA-N 0 0 455.308 4.690 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1)NC(=O)OC(C)(C)C ZINC001545962363 1066367887 /nfs/dbraw/zinc/36/78/87/1066367887.db2.gz BHFIGZUCDYOKIV-LEWJYISDSA-N 0 0 484.670 4.842 20 30 JJEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001546069776 1066368566 /nfs/dbraw/zinc/36/85/66/1066368566.db2.gz VDWKFMAOHNFHDC-HNNXBMFYSA-N 0 0 456.568 4.801 20 30 JJEDRN CCc1ccc(CN2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)cc1 ZINC001455228353 1066373397 /nfs/dbraw/zinc/37/33/97/1066373397.db2.gz UDCUGLQFORYJHV-UHFFFAOYSA-N 0 0 455.606 4.601 20 30 JJEDRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1 ZINC001361124908 1066378378 /nfs/dbraw/zinc/37/83/78/1066378378.db2.gz NRZFKHNSBCEPCK-UHFFFAOYSA-N 0 0 452.370 4.916 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545963196 1066385165 /nfs/dbraw/zinc/38/51/65/1066385165.db2.gz RGSSXYPLZGZXFP-QFIPXVFZSA-N 0 0 466.630 4.992 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2nccnc2C)c1 ZINC001361127103 1066386821 /nfs/dbraw/zinc/38/68/21/1066386821.db2.gz FAYVRFLPXKFVOQ-MHZLTWQESA-N 0 0 473.625 4.760 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545963357 1066387745 /nfs/dbraw/zinc/38/77/45/1066387745.db2.gz VFECJHXUBDNMAY-LEWJYISDSA-N 0 0 484.670 4.698 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC001455521544 1066404015 /nfs/dbraw/zinc/40/40/15/1066404015.db2.gz ZYBALPAYYMDEJW-YGRLFVJLSA-N 0 0 458.374 4.620 20 30 JJEDRN Cc1ccc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)cc1 ZINC001361134923 1066407773 /nfs/dbraw/zinc/40/77/73/1066407773.db2.gz OBCVCGOWNVEIFI-KRWDZBQOSA-N 0 0 467.415 4.898 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545964753 1066412503 /nfs/dbraw/zinc/41/25/03/1066412503.db2.gz JQZBWSTWFDKNPV-WBVHZDCISA-N 0 0 477.009 4.506 20 30 JJEDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cccc(CNc4ncccc4C#N)c3)cc2)n1 ZINC001444290474 1066443949 /nfs/dbraw/zinc/44/39/49/1066443949.db2.gz ZVVRIYGGBBVVRR-FQEVSTJZSA-N 0 0 450.546 4.859 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCCc2cccc(C)n2)c1 ZINC001361153368 1066449176 /nfs/dbraw/zinc/44/91/76/1066449176.db2.gz YLAWIEPSEMNHPD-UHFFFAOYSA-N 0 0 458.610 4.940 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001361153307 1066449274 /nfs/dbraw/zinc/44/92/74/1066449274.db2.gz XEYSHVUCSOMCHJ-RUZDIDTESA-N 0 0 465.623 4.573 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCCNC(=O)OC(C)(C)C)c1 ZINC001361155395 1066454208 /nfs/dbraw/zinc/45/42/08/1066454208.db2.gz BLJQASJYGZOJCT-MHZLTWQESA-N 0 0 496.656 4.909 20 30 JJEDRN CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)c1nccs1)NC(=O)OC(C)(C)C ZINC001545966993 1066456671 /nfs/dbraw/zinc/45/66/71/1066456671.db2.gz NZCVDZCZMVYKGF-PXNSSMCTSA-N 0 0 495.653 4.816 20 30 JJEDRN CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)c1nccs1)NC(=O)OC(C)(C)C ZINC001545966992 1066456766 /nfs/dbraw/zinc/45/67/66/1066456766.db2.gz NZCVDZCZMVYKGF-FXAWDEMLSA-N 0 0 495.653 4.816 20 30 JJEDRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)[C@H](C)Cc4ccc(C#N)cc4)cc32)c1 ZINC001455963934 1066461830 /nfs/dbraw/zinc/46/18/30/1066461830.db2.gz KDEZOUPHWHKOKE-LJQANCHMSA-N 0 0 453.542 4.516 20 30 JJEDRN N#Cc1cccc(OCc2cccc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)c1 ZINC001361161199 1066467094 /nfs/dbraw/zinc/46/70/94/1066467094.db2.gz IIACODVUQHLGPN-UHFFFAOYSA-N 0 0 457.486 4.729 20 30 JJEDRN CC(C)(Cc1ccc(C#N)cc1)NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001456024357 1066480572 /nfs/dbraw/zinc/48/05/72/1066480572.db2.gz IPULVWOJHBHWQV-UHFFFAOYSA-N 0 0 453.542 4.534 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361169436 1066482864 /nfs/dbraw/zinc/48/28/64/1066482864.db2.gz DSZQAHRGUQBGQC-IEBWSBKVSA-N 0 0 456.591 4.765 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cnn(CCC)c2)c1 ZINC001444720730 1066497511 /nfs/dbraw/zinc/49/75/11/1066497511.db2.gz KVBOSYHAPIWDNM-UHFFFAOYSA-N 0 0 458.971 4.580 20 30 JJEDRN Cc1ccc(CCN(CC(F)(F)F)C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001444731884 1066498749 /nfs/dbraw/zinc/49/87/49/1066498749.db2.gz DKAGFCGFOKJTCD-UHFFFAOYSA-N 0 0 452.517 4.579 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361178934 1066500079 /nfs/dbraw/zinc/50/00/79/1066500079.db2.gz USAGYNNGJGBXCP-SFHVURJKSA-N 0 0 478.597 4.858 20 30 JJEDRN CN(C)C(=O)c1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F ZINC001361182021 1066504737 /nfs/dbraw/zinc/50/47/37/1066504737.db2.gz FYDMRERKEGIULJ-UHFFFAOYSA-N 0 0 452.326 4.583 20 30 JJEDRN CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001545969334 1066505073 /nfs/dbraw/zinc/50/50/73/1066505073.db2.gz VZGFKAYTVQOBDF-JOCHJYFZSA-N 0 0 494.640 4.515 20 30 JJEDRN O=C(NCCc1cc(F)ccc1F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001361189588 1066515201 /nfs/dbraw/zinc/51/52/01/1066515201.db2.gz IIPYIZJYUYTPIL-UHFFFAOYSA-N 0 0 457.317 4.820 20 30 JJEDRN Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 ZINC001444880323 1066515906 /nfs/dbraw/zinc/51/59/06/1066515906.db2.gz LJTJIKYCDOEBSZ-UHFFFAOYSA-N 0 0 459.506 4.984 20 30 JJEDRN Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2Cc2ccc(-n3ccnc3C)nc2)o1 ZINC001361191511 1066518334 /nfs/dbraw/zinc/51/83/34/1066518334.db2.gz VUPURYOPDWZOLK-UHFFFAOYSA-N 0 0 458.570 4.550 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361199889 1066529084 /nfs/dbraw/zinc/52/90/84/1066529084.db2.gz KBKDSFLAZPKHBN-IBGZPJMESA-N 0 0 468.602 4.624 20 30 JJEDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC001445010339 1066529406 /nfs/dbraw/zinc/52/94/06/1066529406.db2.gz NSUONAXMTNIYPH-LJQANCHMSA-N 0 0 457.496 4.878 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCC[C@@H]2C)cc1Br ZINC001361199977 1066529472 /nfs/dbraw/zinc/52/94/72/1066529472.db2.gz KSMPPMSWWIDDQB-SBUREZEXSA-N 0 0 472.431 4.697 20 30 JJEDRN C#CCC1(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CCCCC1 ZINC001456186677 1066532988 /nfs/dbraw/zinc/53/29/88/1066532988.db2.gz XGUSYALMZOFVFC-UHFFFAOYSA-N 0 0 454.592 4.651 20 30 JJEDRN Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC001456199434 1066535736 /nfs/dbraw/zinc/53/57/36/1066535736.db2.gz DBIQHMDKLKAEOU-UHFFFAOYSA-N 0 0 454.474 4.652 20 30 JJEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 ZINC001456244809 1066544817 /nfs/dbraw/zinc/54/48/17/1066544817.db2.gz LXDWLSMXTLADDH-UHFFFAOYSA-N 0 0 455.514 4.980 20 30 JJEDRN CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001445305229 1066556045 /nfs/dbraw/zinc/55/60/45/1066556045.db2.gz RAQGSTFXDQMONW-QHCPKHFHSA-N 0 0 459.912 4.980 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)Cn2c3ccccc3nc2-c2ccccc2)ccc1OC ZINC001456294547 1066556869 /nfs/dbraw/zinc/55/68/69/1066556869.db2.gz ROURLJVCXFNCRV-NRFANRHFSA-N 0 0 454.530 4.709 20 30 JJEDRN CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456358215 1066569259 /nfs/dbraw/zinc/56/92/59/1066569259.db2.gz JIARIUKSAFSGJP-BDTNDASRSA-N 0 0 450.659 4.780 20 30 JJEDRN C[C@@H](C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001456369736 1066572478 /nfs/dbraw/zinc/57/24/78/1066572478.db2.gz HKFMJLGTHCPQKK-INIZCTEOSA-N 0 0 456.926 4.746 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(OCc3nc(C)no3)cc2)s1 ZINC001456438185 1066585869 /nfs/dbraw/zinc/58/58/69/1066585869.db2.gz HFTMXNBWBJEZEI-UHFFFAOYSA-N 0 0 450.973 4.748 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCc3ccc(-c4ccccc4)cc3)C2)C1 ZINC001445571669 1066589098 /nfs/dbraw/zinc/58/90/98/1066589098.db2.gz XTSJQBGHOFKRJQ-MJMJPBAGSA-N 0 0 459.590 4.799 20 30 JJEDRN C#CCN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456451654 1066590480 /nfs/dbraw/zinc/59/04/80/1066590480.db2.gz UNBKJUXZOGUHIT-JOCHJYFZSA-N 0 0 454.364 4.692 20 30 JJEDRN C#CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456452436 1066590922 /nfs/dbraw/zinc/59/09/22/1066590922.db2.gz ZICRGUXFMHYWEA-HXUWFJFHSA-N 0 0 455.352 4.643 20 30 JJEDRN Cc1ccc(C(=O)N(C)Cc2cc(C#N)cs2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001456481880 1066595187 /nfs/dbraw/zinc/59/51/87/1066595187.db2.gz YOFVNKONZLDHSY-UHFFFAOYSA-N 0 0 459.980 4.655 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC001445633760 1066596195 /nfs/dbraw/zinc/59/61/95/1066596195.db2.gz VMUUAJAZXUGRRN-ICSRJNTNSA-N 0 0 452.894 4.562 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1CC(F)(F)F ZINC001456505913 1066604229 /nfs/dbraw/zinc/60/42/29/1066604229.db2.gz KNKCHFRXUBMQTE-UHFFFAOYSA-N 0 0 457.246 4.842 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001456517511 1066609758 /nfs/dbraw/zinc/60/97/58/1066609758.db2.gz MSWPXCIEFIZLBN-GHTZIAJQSA-N 0 0 453.539 4.544 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001456517524 1066609795 /nfs/dbraw/zinc/60/97/95/1066609795.db2.gz MSWPXCIEFIZLBN-NQIIRXRSSA-N 0 0 453.539 4.544 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001456517534 1066609855 /nfs/dbraw/zinc/60/98/55/1066609855.db2.gz MSWPXCIEFIZLBN-RXVVDRJESA-N 0 0 453.539 4.544 20 30 JJEDRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC001456528428 1066614096 /nfs/dbraw/zinc/61/40/96/1066614096.db2.gz MPUFXOFGTLCJGV-UHFFFAOYSA-N 0 0 458.522 4.516 20 30 JJEDRN C=CCn1ncc2ccc(NC(=O)c3ncoc3C3CCN(C(=O)OC(C)(C)C)CC3)cc21 ZINC001456531642 1066614950 /nfs/dbraw/zinc/61/49/50/1066614950.db2.gz FZYQQIYMIAMWAK-UHFFFAOYSA-N 0 0 451.527 4.577 20 30 JJEDRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C)(C#N)CC2)c(F)c1 ZINC001361268985 1066622586 /nfs/dbraw/zinc/62/25/86/1066622586.db2.gz UPBSSZPYIVXWKG-UHFFFAOYSA-N 0 0 457.351 4.662 20 30 JJEDRN N#Cc1cc(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001361276144 1066633519 /nfs/dbraw/zinc/63/35/19/1066633519.db2.gz VSWHJFVIAFRDGM-AWEZNQCLSA-N 0 0 452.454 4.523 20 30 JJEDRN CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Br)c(C#N)c1C ZINC000001984396 1066637527 /nfs/dbraw/zinc/63/75/27/1066637527.db2.gz AMWFQMYXQRLKSY-UHFFFAOYSA-N 0 0 457.733 4.538 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCCc3ccccc3C2)c1 ZINC001456625594 1066649532 /nfs/dbraw/zinc/64/95/32/1066649532.db2.gz LIPNCZFQBCROHU-QHCPKHFHSA-N 0 0 455.583 4.966 20 30 JJEDRN Cc1cccnc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C#N)CC1 ZINC001492604834 1066662147 /nfs/dbraw/zinc/66/21/47/1066662147.db2.gz GYCIOKWXRHFRSP-UHFFFAOYSA-N 0 0 471.790 4.853 20 30 JJEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC001446143082 1066665164 /nfs/dbraw/zinc/66/51/64/1066665164.db2.gz RWPFOXVDMVHNOB-UHFFFAOYSA-N 0 0 456.276 4.892 20 30 JJEDRN N#C[C@H](NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O)c1cccc(Br)c1 ZINC001446224267 1066675772 /nfs/dbraw/zinc/67/57/72/1066675772.db2.gz ATQZTJGSMPKUFI-HNNXBMFYSA-N 0 0 450.214 4.716 20 30 JJEDRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCc2c(C#N)c(N)sc2C1 ZINC001456731161 1066675833 /nfs/dbraw/zinc/67/58/33/1066675833.db2.gz FGAKNGDVOGHUDI-UHFFFAOYSA-N 0 0 456.980 4.676 20 30 JJEDRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)c2ccc(C#N)cc2)c(Cl)cc1Cl ZINC001456735015 1066677610 /nfs/dbraw/zinc/67/76/10/1066677610.db2.gz WEZDKPAXOGAZPM-ZDUSSCGKSA-N 0 0 454.379 4.609 20 30 JJEDRN CC(C)(C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001456774302 1066687809 /nfs/dbraw/zinc/68/78/09/1066687809.db2.gz IDWVCALOWDJCDD-UHFFFAOYSA-N 0 0 455.923 4.590 20 30 JJEDRN COc1ccc(-c2nc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)cs2)cc1OC ZINC001456792805 1066691643 /nfs/dbraw/zinc/69/16/43/1066691643.db2.gz XPDBCUKNTYQNSK-UHFFFAOYSA-N 0 0 459.531 4.754 20 30 JJEDRN CC(C)C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)Nc1nccs1 ZINC001446330252 1066692168 /nfs/dbraw/zinc/69/21/68/1066692168.db2.gz IVZXZLUICRDXTC-LJQANCHMSA-N 0 0 450.589 4.949 20 30 JJEDRN C#CC[C@@H](NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 ZINC001446333723 1066693056 /nfs/dbraw/zinc/69/30/56/1066693056.db2.gz IBZTZTPPUPSMGO-GOSISDBHSA-N 0 0 451.617 4.780 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)(C#N)CC2)s1 ZINC001492630484 1066705217 /nfs/dbraw/zinc/70/52/17/1066705217.db2.gz VDLCTSGNEXEBJV-CQSZACIVSA-N 0 0 488.459 4.745 20 30 JJEDRN C[C@@H](C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001456857674 1066706893 /nfs/dbraw/zinc/70/68/93/1066706893.db2.gz BIXWRZLQVIDKQF-ZUZCIYMTSA-N 0 0 458.351 4.854 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2c(C)noc2C)c1 ZINC001456860803 1066707891 /nfs/dbraw/zinc/70/78/91/1066707891.db2.gz VNYLEBBWVBGDJT-UHFFFAOYSA-N 0 0 459.955 4.603 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)C)C2)s1 ZINC001492632638 1066711519 /nfs/dbraw/zinc/71/15/19/1066711519.db2.gz JNDYDHVDDFNLCM-PXNSSMCTSA-N 0 0 450.612 4.780 20 30 JJEDRN C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)Oc1ccc(Br)cc1 ZINC001456876087 1066712321 /nfs/dbraw/zinc/71/23/21/1066712321.db2.gz ILMOZYIPNGXYKW-HNNXBMFYSA-N 0 0 455.308 4.690 20 30 JJEDRN N#Cc1cccc(OCCCCC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c1 ZINC001446538065 1066717532 /nfs/dbraw/zinc/71/75/32/1066717532.db2.gz NXEKHAPTZYSVOT-GDLZYMKVSA-N 0 0 454.570 4.970 20 30 JJEDRN CCCCOc1ccc(C=NOCC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1OC ZINC001446551670 1066720002 /nfs/dbraw/zinc/72/00/02/1066720002.db2.gz DNPKSTRVHKZQKA-HXUWFJFHSA-N 0 0 458.530 4.782 20 30 JJEDRN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001446571037 1066722385 /nfs/dbraw/zinc/72/23/85/1066722385.db2.gz XHPQCUMPBXLDOD-APPDUMDISA-N 0 0 453.354 4.871 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(C)OC(C)(C)C2)n1 ZINC001492638498 1066726653 /nfs/dbraw/zinc/72/66/53/1066726653.db2.gz GIVOHGOQLAIJMU-INIZCTEOSA-N 0 0 450.612 4.779 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)C)C2)n1 ZINC001492639064 1066728123 /nfs/dbraw/zinc/72/81/23/1066728123.db2.gz MWYNYCNKDBFOKN-PXNSSMCTSA-N 0 0 450.612 4.780 20 30 JJEDRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC001446659609 1066730393 /nfs/dbraw/zinc/73/03/93/1066730393.db2.gz XLZTWNYLNBSWGA-VWLOTQADSA-N 0 0 453.608 4.859 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)n1 ZINC001492640425 1066731189 /nfs/dbraw/zinc/73/11/89/1066731189.db2.gz ZEPLLIGCZVRYQM-CRAIPNDOSA-N 0 0 472.565 4.779 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC001446705046 1066732432 /nfs/dbraw/zinc/73/24/32/1066732432.db2.gz VVCUQLUPGPPCJW-NRFANRHFSA-N 0 0 451.320 4.885 20 30 JJEDRN O=C(N[C@@H](CO)CC(F)(F)F)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 ZINC001446745521 1066735321 /nfs/dbraw/zinc/73/53/21/1066735321.db2.gz HWYSBAPHQMKZLH-XGAHQAEOSA-N 0 0 455.361 4.538 20 30 JJEDRN Cc1csc([C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)C)C2)n1 ZINC001492642357 1066735800 /nfs/dbraw/zinc/73/58/00/1066735800.db2.gz OAMCSCYFNCKYKI-FQEVSTJZSA-N 0 0 450.612 4.924 20 30 JJEDRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)n2)n1 ZINC001446792528 1066740537 /nfs/dbraw/zinc/74/05/37/1066740537.db2.gz SCAUGMBSEREPCU-UHFFFAOYSA-N 0 0 452.305 4.501 20 30 JJEDRN Cc1csc(CCCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C#N)C2)n1 ZINC001492643904 1066740596 /nfs/dbraw/zinc/74/05/96/1066740596.db2.gz DKSQDBILAUFCMJ-MRXNPFEDSA-N 0 0 477.421 4.769 20 30 JJEDRN CC1(C#N)CCN(C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)CC1 ZINC001446795549 1066741017 /nfs/dbraw/zinc/74/10/17/1066741017.db2.gz RTVUJUMTQIGDMU-UHFFFAOYSA-N 0 0 451.592 4.572 20 30 JJEDRN Cc1nc(SCC(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c(C#N)c(C)c1C ZINC001446979448 1066760831 /nfs/dbraw/zinc/76/08/31/1066760831.db2.gz FVUWKXLLEGVPEG-LJQANCHMSA-N 0 0 452.628 4.543 20 30 JJEDRN CCCCOc1ccc(C=NOCC(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)cc1OC ZINC001457103209 1066762479 /nfs/dbraw/zinc/76/24/79/1066762479.db2.gz ONSOMQZTFSGENN-PMERELPUSA-N 0 0 452.960 4.562 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC(C2CC2)C2CC2)c1 ZINC001457106116 1066763915 /nfs/dbraw/zinc/76/39/15/1066763915.db2.gz BCFNVYFFDODGEQ-UHFFFAOYSA-N 0 0 459.011 4.887 20 30 JJEDRN Cc1cscc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001492655912 1066767906 /nfs/dbraw/zinc/76/79/06/1066767906.db2.gz QBPJMOUICMFJEV-MRXNPFEDSA-N 0 0 464.620 4.843 20 30 JJEDRN C=CC[C@H](CO)CNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001447028349 1066767860 /nfs/dbraw/zinc/76/78/60/1066767860.db2.gz OPWVERXMCJRIJM-KRWDZBQOSA-N 0 0 457.646 4.870 20 30 JJEDRN Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)s1 ZINC001492656581 1066768907 /nfs/dbraw/zinc/76/89/07/1066768907.db2.gz CRZKCKMZGKHJSP-SANMLTNESA-N 0 0 494.665 4.686 20 30 JJEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC001457135906 1066770118 /nfs/dbraw/zinc/77/01/18/1066770118.db2.gz FDBOIAAAPCAJRP-RPWUZVMVSA-N 0 0 457.640 4.622 20 30 JJEDRN CC[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1)c1ccccc1 ZINC001545993298 1066780433 /nfs/dbraw/zinc/78/04/33/1066780433.db2.gz UWNWSRATQMRHAV-GMAHTHKFSA-N 0 0 494.640 4.520 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(OC3CCCC3)cc2)cs1 ZINC001492661759 1066781276 /nfs/dbraw/zinc/78/12/76/1066781276.db2.gz LZUVBONTHUGHKA-KRWDZBQOSA-N 0 0 450.612 4.742 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN1CCCCC1 ZINC001447275301 1066786804 /nfs/dbraw/zinc/78/68/04/1066786804.db2.gz FOHDEWWYVOGJFE-HSZRJFAPSA-N 0 0 453.970 4.553 20 30 JJEDRN COc1ccc([C@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CCO2)cc1OC ZINC001457215350 1066792106 /nfs/dbraw/zinc/79/21/06/1066792106.db2.gz SKRHOCHFZDNKJB-AREMUKBSSA-N 0 0 458.514 4.776 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cs1 ZINC001492678371 1066818311 /nfs/dbraw/zinc/81/83/11/1066818311.db2.gz JAEWILYQGXUABB-BSWQBHCVSA-N 0 0 470.687 4.994 20 30 JJEDRN N#CCC1CCN(C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)CC1 ZINC001447583330 1066825358 /nfs/dbraw/zinc/82/53/58/1066825358.db2.gz LFBNCZCFBQZYKE-UHFFFAOYSA-N 0 0 451.592 4.572 20 30 JJEDRN CCc1noc(-c2ccc(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)n1 ZINC001447628892 1066831567 /nfs/dbraw/zinc/83/15/67/1066831567.db2.gz AIWJNZPRFSXWTQ-UHFFFAOYSA-N 0 0 458.946 4.541 20 30 JJEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cc(Br)cnc2N)c1 ZINC001457452743 1066833773 /nfs/dbraw/zinc/83/37/73/1066833773.db2.gz RFMAIPKIARCELI-UHFFFAOYSA-N 0 0 457.715 4.674 20 30 JJEDRN Cc1nc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)cs1 ZINC001492695392 1066842216 /nfs/dbraw/zinc/84/22/16/1066842216.db2.gz ZVTSEGKUPQHCQW-GOSISDBHSA-N 0 0 462.501 4.850 20 30 JJEDRN N[C@](C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)(c1cccc(F)c1)C(F)(F)F ZINC001457505942 1066845503 /nfs/dbraw/zinc/84/55/03/1066845503.db2.gz ZXLIWNHAEJPXRY-AWEZNQCLSA-N 0 0 459.159 4.962 20 30 JJEDRN CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC001447788998 1066857075 /nfs/dbraw/zinc/85/70/75/1066857075.db2.gz BZIYMMYZFIAEQY-YLJYHZDGSA-N 0 0 456.587 4.538 20 30 JJEDRN Cc1nccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492704927 1066863842 /nfs/dbraw/zinc/86/38/42/1066863842.db2.gz QOWODJTUHMGUCA-UHFFFAOYSA-N 0 0 455.488 4.501 20 30 JJEDRN Cc1nccn1CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CC#N ZINC001492705982 1066866980 /nfs/dbraw/zinc/86/69/80/1066866980.db2.gz YLJDJSQVJPZDNT-HNNXBMFYSA-N 0 0 474.382 4.570 20 30 JJEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC001457622448 1066883173 /nfs/dbraw/zinc/88/31/73/1066883173.db2.gz YGFBARABERDQPA-UHFFFAOYSA-N 0 0 454.571 4.586 20 30 JJEDRN COc1cc(C#N)cc(Br)c1OC(=O)Cc1cc(Cl)ccc1Br ZINC001457659789 1066891543 /nfs/dbraw/zinc/89/15/43/1066891543.db2.gz FDLYAUFPRKXODA-UHFFFAOYSA-N 0 0 459.521 4.893 20 30 JJEDRN COc1cc(C#N)cc(Br)c1OC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001457666690 1066893747 /nfs/dbraw/zinc/89/37/47/1066893747.db2.gz WKNVDOOMABTRSM-UHFFFAOYSA-N 0 0 454.236 4.519 20 30 JJEDRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 ZINC001492723009 1066894347 /nfs/dbraw/zinc/89/43/47/1066894347.db2.gz XKEYBUTTXOBEBD-HSZRJFAPSA-N 0 0 488.423 4.693 20 30 JJEDRN Cc1cc(C)n(-c2ccc(Cn3c([C@@H](C)Oc4cccc(C)c4C)nnc3N(C)C[C@@H](C)C#N)cn2)n1 ZINC001492728063 1066897734 /nfs/dbraw/zinc/89/77/34/1066897734.db2.gz RLBNWHXMYJWENX-FDDCHVKYSA-N 0 0 498.635 4.877 20 30 JJEDRN CCCCOc1ccc(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 ZINC001448157175 1066904899 /nfs/dbraw/zinc/90/48/99/1066904899.db2.gz KXDIPQWUBZWHMK-QFIPXVFZSA-N 0 0 450.539 4.605 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC001448159181 1066905203 /nfs/dbraw/zinc/90/52/03/1066905203.db2.gz PJTKVBFOUQBSBD-UHFFFAOYSA-N 0 0 452.432 4.892 20 30 JJEDRN N#Cc1cc(NC(=O)c2cc3c(cn2)nc[nH]c3=O)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001457748770 1066910328 /nfs/dbraw/zinc/91/03/28/1066910328.db2.gz BJLIHBNIHGUFRM-UHFFFAOYSA-N 0 0 451.364 4.665 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCc3cc(C(=O)OCC)ccc32)s1 ZINC001457792826 1066922273 /nfs/dbraw/zinc/92/22/73/1066922273.db2.gz DYIAJNCLDBMVKG-UHFFFAOYSA-N 0 0 451.013 4.995 20 30 JJEDRN C[C@H]1CCCN(c2ccc(CNC(=O)CCCC(=O)Nc3ccccc3C#N)cc2Cl)C1 ZINC001448455265 1066929890 /nfs/dbraw/zinc/92/98/90/1066929890.db2.gz UZWACYRZKCBKEG-SFHVURJKSA-N 0 0 452.986 4.873 20 30 JJEDRN Cc1nnc(CCCn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@H](C)CC#N)s1 ZINC001492765888 1066938024 /nfs/dbraw/zinc/93/80/24/1066938024.db2.gz VQKUTYJWRFBUBF-OAHLLOKOSA-N 0 0 455.657 4.807 20 30 JJEDRN CC(C)(C)OC(=O)NCc1cc(NC(=O)c2ncc(C#N)cc2Cl)cc(C(F)(F)F)c1 ZINC001448554206 1066939459 /nfs/dbraw/zinc/93/94/59/1066939459.db2.gz XDPVZWRNCFRNNN-UHFFFAOYSA-N 0 0 454.836 4.902 20 30 JJEDRN Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccc(Cl)s2)s1 ZINC001492767953 1066941406 /nfs/dbraw/zinc/94/14/06/1066941406.db2.gz IEKZFZIRSZDXOL-UHFFFAOYSA-N 0 0 456.000 4.571 20 30 JJEDRN Cc1nnc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@@H](C)CC#N)s1 ZINC001492771500 1066944264 /nfs/dbraw/zinc/94/42/64/1066944264.db2.gz PXMZLFHSAIPRGM-GJZGRUSLSA-N 0 0 460.007 4.635 20 30 JJEDRN Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001492783592 1066948478 /nfs/dbraw/zinc/94/84/78/1066948478.db2.gz WEXJPFRQOKZJOU-UHFFFAOYSA-N 0 0 453.387 4.904 20 30 JJEDRN C=CC1(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001448769363 1066956192 /nfs/dbraw/zinc/95/61/92/1066956192.db2.gz GMKWSOMREVRGPE-INIZCTEOSA-N 0 0 454.398 4.502 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001448773651 1066956704 /nfs/dbraw/zinc/95/67/04/1066956704.db2.gz DMAIEIJRXYJYFX-FPOVZHCZSA-N 0 0 454.546 4.576 20 30 JJEDRN CCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)c1ccc(C#N)c(Cl)c1 ZINC001458034240 1066959093 /nfs/dbraw/zinc/95/90/93/1066959093.db2.gz JNRRFMWWBAAUNT-UHFFFAOYSA-N 0 0 454.379 4.609 20 30 JJEDRN Cc1cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)nn1-c1ccc(Cl)cc1 ZINC001448821703 1066959931 /nfs/dbraw/zinc/95/99/31/1066959931.db2.gz CESOBEODFRAKKH-JOCHJYFZSA-N 0 0 454.361 4.510 20 30 JJEDRN CC[C@@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001545698724 1066963986 /nfs/dbraw/zinc/96/39/86/1066963986.db2.gz LVZNZXPYNALNLM-OFNKIYASSA-N 0 0 462.642 4.571 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)cs2)CC1 ZINC001448848461 1066963969 /nfs/dbraw/zinc/96/39/69/1066963969.db2.gz RWAVIMXOYJIKSU-LJQANCHMSA-N 0 0 452.580 4.547 20 30 JJEDRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc(OCC(F)(F)F)cn1 ZINC001458081256 1066969585 /nfs/dbraw/zinc/96/95/85/1066969585.db2.gz RTRUXFDLQGAQQK-UHFFFAOYSA-N 0 0 454.277 4.805 20 30 JJEDRN C=CCn1c(COc2ccccc2F)nnc1Sc1ccnc(Cc2ccc(F)cc2)n1 ZINC001458080765 1066969797 /nfs/dbraw/zinc/96/97/97/1066969797.db2.gz XZPOCEKRSAZKNB-UHFFFAOYSA-N 0 0 451.502 4.853 20 30 JJEDRN Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1NC(=O)c1ccccc1 ZINC001458091071 1066971895 /nfs/dbraw/zinc/97/18/95/1066971895.db2.gz GQRAIBNUOPPSCW-UHFFFAOYSA-N 0 0 454.530 4.634 20 30 JJEDRN N#Cc1cc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCC(O)CC1 ZINC001545718452 1066972802 /nfs/dbraw/zinc/97/28/02/1066972802.db2.gz HKBVXNSQFPQEDY-UHFFFAOYSA-N 0 0 453.542 4.788 20 30 JJEDRN CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1C#N ZINC001458101864 1066975891 /nfs/dbraw/zinc/97/58/91/1066975891.db2.gz GOLISGYVCIAJBV-UHFFFAOYSA-N 0 0 455.580 4.551 20 30 JJEDRN Cc1cc(Br)ccc1NC(=O)CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001458146723 1066987909 /nfs/dbraw/zinc/98/79/09/1066987909.db2.gz YIJCIUDAKANKJE-UHFFFAOYSA-N 0 0 454.284 4.526 20 30 JJEDRN N#Cc1cnn(-c2ccccc2NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1N ZINC001449229894 1066991291 /nfs/dbraw/zinc/99/12/91/1066991291.db2.gz NKKIGTBXVYDREL-UHFFFAOYSA-N 0 0 454.877 4.896 20 30 JJEDRN N#Cc1cccc(OCc2cccc(C(=O)NCCc3nc(-c4ccc(Cl)cc4)n[nH]3)c2)c1 ZINC001449263194 1066993631 /nfs/dbraw/zinc/99/36/31/1066993631.db2.gz UFTWKGYPWWZLQM-UHFFFAOYSA-N 0 0 457.921 4.548 20 30 JJEDRN C#CCCOc1ccc(C(=O)N(CC(=O)OCC)[C@@H](C)c2cccc(Br)c2)cc1 ZINC001458200654 1067002182 /nfs/dbraw/zinc/00/21/82/1067002182.db2.gz GZMFCHZSCSEEOZ-KRWDZBQOSA-N 0 0 458.352 4.618 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545741338 1067007421 /nfs/dbraw/zinc/00/74/21/1067007421.db2.gz OPPCCALXHAYCTE-SWYRRKHMSA-N 0 0 484.620 4.811 20 30 JJEDRN COc1ccc(-n2c(Sc3cc(C#N)c(Br)cn3)nnc2-c2ccco2)cc1 ZINC001458243381 1067010325 /nfs/dbraw/zinc/01/03/25/1067010325.db2.gz MRRNVZJILFTHJT-UHFFFAOYSA-N 0 0 454.309 4.716 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](CCCO)c2ccccc2)c1 ZINC001545744654 1067011787 /nfs/dbraw/zinc/01/17/87/1067011787.db2.gz IUIBIDXMXCVGFA-QHCPKHFHSA-N 0 0 459.571 4.533 20 30 JJEDRN N#Cc1ccc(CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C2CC2)cc1 ZINC001458253146 1067012971 /nfs/dbraw/zinc/01/29/71/1067012971.db2.gz JPIRSXFSHOYISV-IBGZPJMESA-N 0 0 456.373 4.908 20 30 JJEDRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC001546017080 1067025976 /nfs/dbraw/zinc/02/59/76/1067025976.db2.gz OJYHDNCGVSSSSA-RLHDAWJCSA-N 0 0 482.604 4.685 20 30 JJEDRN CC[C@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC001546017388 1067030374 /nfs/dbraw/zinc/03/03/74/1067030374.db2.gz TYLPHNCGPOWXFZ-MJGOQNOKSA-N 0 0 498.538 4.640 20 30 JJEDRN CC[C@@H](c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545757219 1067035551 /nfs/dbraw/zinc/03/55/51/1067035551.db2.gz VUZASWOKQAYKMY-DNVJHFABSA-N 0 0 466.699 4.774 20 30 JJEDRN CC[C@H](c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC=C(C)C)c1ccccc1 ZINC001545757267 1067035587 /nfs/dbraw/zinc/03/55/87/1067035587.db2.gz WKMYLUCKRWWTRR-GMAHTHKFSA-N 0 0 470.625 4.553 20 30 JJEDRN C=CC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C ZINC001458342032 1067035826 /nfs/dbraw/zinc/03/58/26/1067035826.db2.gz QDCYXAPMNDAUGH-HJPURHCSSA-N 0 0 451.970 4.520 20 30 JJEDRN C[C@H](CCc1ccc(I)cc1)Nc1ncc(Br)cc1C#N ZINC001458359007 1067041789 /nfs/dbraw/zinc/04/17/89/1067041789.db2.gz XERSNYIXQFCLMM-LLVKDONJSA-N 0 0 456.125 4.754 20 30 JJEDRN Cc1ccc(C[C@H](CO)CNc2cc(Br)c(C#N)cc2F)cc1Br ZINC001458377489 1067046284 /nfs/dbraw/zinc/04/62/84/1067046284.db2.gz DXSJKWKXOWFLPF-ZDUSSCGKSA-N 0 0 456.153 4.794 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450064522 1067046552 /nfs/dbraw/zinc/04/65/52/1067046552.db2.gz ZVTPPQZOQZSGOK-UHFFFAOYSA-N 0 0 454.489 4.743 20 30 JJEDRN CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)SC ZINC001545771031 1067056975 /nfs/dbraw/zinc/05/69/75/1067056975.db2.gz CZHYHXXUAIQSDD-ICSRJNTNSA-N 0 0 486.661 4.656 20 30 JJEDRN C=CCN(CCC#N)C(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001450196464 1067058655 /nfs/dbraw/zinc/05/86/55/1067058655.db2.gz PUDJXIQWPSTBAK-OAQYLSRUSA-N 0 0 457.574 4.966 20 30 JJEDRN CSc1ncc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)n1-c1ccc(F)cc1 ZINC001458437447 1067060245 /nfs/dbraw/zinc/06/02/45/1067060245.db2.gz BZHMCHZEGZYBIJ-INIZCTEOSA-N 0 0 450.417 4.627 20 30 JJEDRN N#C[C@H](NC(=O)c1cc2c(cncc2Br)s1)c1ccc(OC(F)(F)F)cc1 ZINC001458440311 1067060986 /nfs/dbraw/zinc/06/09/86/1067060986.db2.gz PRXJJPUIHQXRLC-ZDUSSCGKSA-N 0 0 456.243 4.952 20 30 JJEDRN N#C[C@@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1cccc(Br)c1 ZINC001458445007 1067061808 /nfs/dbraw/zinc/06/18/08/1067061808.db2.gz AUNZKHDICSKNOO-MRXNPFEDSA-N 0 0 451.280 4.559 20 30 JJEDRN N#C[C@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1cccc(Br)c1 ZINC001458445005 1067062043 /nfs/dbraw/zinc/06/20/43/1067062043.db2.gz AUNZKHDICSKNOO-INIZCTEOSA-N 0 0 451.280 4.559 20 30 JJEDRN COc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 ZINC001458450243 1067064549 /nfs/dbraw/zinc/06/45/49/1067064549.db2.gz UTGZIOWCFKZQJL-SFHVURJKSA-N 0 0 456.365 4.813 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)SC ZINC001545774312 1067065987 /nfs/dbraw/zinc/06/59/87/1067065987.db2.gz KZCCDMDBAQSBFX-OAQYLSRUSA-N 0 0 482.698 4.870 20 30 JJEDRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC001458452190 1067066328 /nfs/dbraw/zinc/06/63/28/1067066328.db2.gz ZPJOSCGSMPXSGB-PIGZYNQJSA-N 0 0 454.137 4.910 20 30 JJEDRN N#CCCC[C@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1 ZINC001450266899 1067066404 /nfs/dbraw/zinc/06/64/04/1067066404.db2.gz ASHJREGUGBLWDE-KRWDZBQOSA-N 0 0 452.605 4.670 20 30 JJEDRN CC(C)(C)c1cc(NC(=O)CCOc2ccccc2I)c(C#N)s1 ZINC001458452543 1067066619 /nfs/dbraw/zinc/06/66/19/1067066619.db2.gz JXYYRHIIOFDACH-UHFFFAOYSA-N 0 0 454.333 4.929 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545775482 1067068615 /nfs/dbraw/zinc/06/86/15/1067068615.db2.gz AAMZHABQZYXMEJ-KDURUIRLSA-N 0 0 482.629 4.514 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)SC ZINC001545779451 1067074580 /nfs/dbraw/zinc/07/45/80/1067074580.db2.gz OKLGLAZNRCYUQJ-UHFFFAOYSA-N 0 0 479.629 4.599 20 30 JJEDRN N#C[C@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1cccc(Cl)c1Cl ZINC001458506166 1067077964 /nfs/dbraw/zinc/07/79/64/1067077964.db2.gz OIWAVBRWYKQTGJ-ORAYPTAESA-N 0 0 452.750 4.957 20 30 JJEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001458511628 1067078737 /nfs/dbraw/zinc/07/87/37/1067078737.db2.gz XURCYTBBCVCEOT-NHCUHLMSSA-N 0 0 473.577 4.592 20 30 JJEDRN CC1(C)CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450418080 1067079628 /nfs/dbraw/zinc/07/96/28/1067079628.db2.gz UTOHTVBMXNKPII-NRFANRHFSA-N 0 0 454.452 4.755 20 30 JJEDRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1)OC ZINC001545784270 1067080367 /nfs/dbraw/zinc/08/03/67/1067080367.db2.gz PCXSPOZIDFRZHI-NRFANRHFSA-N 0 0 488.677 4.728 20 30 JJEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC001450448372 1067081218 /nfs/dbraw/zinc/08/12/18/1067081218.db2.gz YPMQDZLPXKFXAX-BWKNWUBXSA-N 0 0 450.897 4.944 20 30 JJEDRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545788357 1067084493 /nfs/dbraw/zinc/08/44/93/1067084493.db2.gz RMSQGZLHIYBZRY-SFHVURJKSA-N 0 0 472.609 4.687 20 30 JJEDRN CCOC(=O)c1sc(C2CCN(c3ccc(C#N)c(Br)c3F)CC2)nc1C ZINC001458542678 1067084955 /nfs/dbraw/zinc/08/49/55/1067084955.db2.gz ASDYIDCVZVEZCR-UHFFFAOYSA-N 0 0 452.349 4.786 20 30 JJEDRN C#CC[C@@H](CO)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC001450529589 1067086168 /nfs/dbraw/zinc/08/61/68/1067086168.db2.gz TTWCBVHYMGTJTC-QDUAUHKASA-N 0 0 457.699 4.923 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CNc3cc(Br)ccc3C#N)C2)CC1 ZINC001458577064 1067090231 /nfs/dbraw/zinc/09/02/31/1067090231.db2.gz XAPVAXFUBSSQKM-QGZVFWFLSA-N 0 0 450.377 4.539 20 30 JJEDRN FC(F)(F)C(F)(F)OCCN(CCOC(F)(F)C(F)(F)F)c1nc(Cl)cs1 ZINC001458580848 1067090396 /nfs/dbraw/zinc/09/03/96/1067090396.db2.gz XHFHMRCBRNRQHH-UHFFFAOYSA-N 0 0 458.705 4.946 20 30 JJEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001458626258 1067098010 /nfs/dbraw/zinc/09/80/10/1067098010.db2.gz OXODLSCOMKXHDM-JOCHJYFZSA-N 0 0 456.506 4.664 20 30 JJEDRN COc1cccc([C@H](C#N)NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)c1OC ZINC001458627784 1067098245 /nfs/dbraw/zinc/09/82/45/1067098245.db2.gz RAMHEKXSPQQMAI-QFIPXVFZSA-N 0 0 450.922 4.860 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)OC ZINC001545798292 1067099076 /nfs/dbraw/zinc/09/90/76/1067099076.db2.gz IQLAIRPNUZCCPY-GCJKJVERSA-N 0 0 492.590 4.731 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(OCc2ccccc2)c1 ZINC001545799659 1067104945 /nfs/dbraw/zinc/10/49/45/1067104945.db2.gz OFDPOMXUFDAGQE-JOCHJYFZSA-N 0 0 458.986 4.960 20 30 JJEDRN C=CCn1c(SCC(=O)N(C)OC)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC001458729711 1067121572 /nfs/dbraw/zinc/12/15/72/1067121572.db2.gz JSCCXYFTTYVMBS-UHFFFAOYSA-N 0 0 459.575 4.767 20 30 JJEDRN C=CCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001458736496 1067125569 /nfs/dbraw/zinc/12/55/69/1067125569.db2.gz RVQIHAIBGZGGCH-CYBMUJFWSA-N 0 0 457.577 4.978 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001458738698 1067127514 /nfs/dbraw/zinc/12/75/14/1067127514.db2.gz YEDXMTOPBUCTRL-BVIKNXMNSA-N 0 0 459.681 4.944 20 30 JJEDRN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001458744100 1067129713 /nfs/dbraw/zinc/12/97/13/1067129713.db2.gz DDHIMQBMFZPGDO-ZDUSSCGKSA-N 0 0 454.987 4.601 20 30 JJEDRN Cc1cc(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)c(C)n1-c1ccc(C#N)cc1 ZINC001450839137 1067130374 /nfs/dbraw/zinc/13/03/74/1067130374.db2.gz WZFDPOJEHHSJHT-UHFFFAOYSA-N 0 0 454.505 4.876 20 30 JJEDRN N#Cc1cc(Br)ccc1CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC001458780394 1067143467 /nfs/dbraw/zinc/14/34/67/1067143467.db2.gz IWXOVXYPOCISBN-KRWDZBQOSA-N 0 0 456.365 4.502 20 30 JJEDRN C=CCn1c(SC2CCN(C(C)=O)CC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC001458786059 1067146574 /nfs/dbraw/zinc/14/65/74/1067146574.db2.gz QZRVZZSNCOKGHH-UHFFFAOYSA-N 0 0 457.596 4.862 20 30 JJEDRN C=CCn1c(S[C@H](Cc2c(F)cccc2F)C(C)=O)nnc1[C@H]1COc2ccccc2O1 ZINC001458825416 1067158431 /nfs/dbraw/zinc/15/84/31/1067158431.db2.gz HPEIQAOVSDGQLL-NHCUHLMSSA-N 0 0 457.502 4.547 20 30 JJEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001451330637 1067160156 /nfs/dbraw/zinc/16/01/56/1067160156.db2.gz QZACMXAYJXKEHK-QHCPKHFHSA-N 0 0 452.551 4.852 20 30 JJEDRN CC(C)c1ccccc1-n1c(S[C@H](C(N)=O)c2ccc(C#N)cc2)nnc1-c1cccnc1 ZINC001458827359 1067160359 /nfs/dbraw/zinc/16/03/59/1067160359.db2.gz VBYBRDNVBPNCKD-QFIPXVFZSA-N 0 0 454.559 4.643 20 30 JJEDRN C=CCn1c(SCC(=O)NCCc2ccc(C(C)C)cc2)nc2sc(C)c(C)c2c1=O ZINC001458827463 1067160367 /nfs/dbraw/zinc/16/03/67/1067160367.db2.gz WGMYZRFSMZPYOT-UHFFFAOYSA-N 0 0 455.649 4.835 20 30 JJEDRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)on1 ZINC001545821691 1067161635 /nfs/dbraw/zinc/16/16/35/1067161635.db2.gz JUYNSALNWXMLDL-UHFFFAOYSA-N 0 0 465.577 4.679 20 30 JJEDRN Cc1cccc(-n2ncc(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)c2C(F)(F)F)c1 ZINC001458839722 1067166911 /nfs/dbraw/zinc/16/69/11/1067166911.db2.gz ZQRQKPUURRLMFE-UHFFFAOYSA-N 0 0 454.387 4.648 20 30 JJEDRN CCC(CC)c1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H](C)C#N)on1 ZINC001545823732 1067168179 /nfs/dbraw/zinc/16/81/79/1067168179.db2.gz WWXRBVGKVFGNGJ-AWEZNQCLSA-N 0 0 474.407 4.582 20 30 JJEDRN CN(C)c1ccc(COC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1[N+](=O)[O-] ZINC001458844460 1067169289 /nfs/dbraw/zinc/16/92/89/1067169289.db2.gz SRLLOGYZIMVKFF-UHFFFAOYSA-N 0 0 456.930 4.536 20 30 JJEDRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC001458850938 1067171741 /nfs/dbraw/zinc/17/17/41/1067171741.db2.gz MHXOWCBWPRXDCR-AFMDSPMNSA-N 0 0 453.542 4.716 20 30 JJEDRN C[C@@H](NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001458855139 1067174305 /nfs/dbraw/zinc/17/43/05/1067174305.db2.gz YWCCEDCPENSPJF-MRXNPFEDSA-N 0 0 454.498 4.854 20 30 JJEDRN COCCOc1ccc(C#N)cc1NC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C ZINC001458873139 1067181685 /nfs/dbraw/zinc/18/16/85/1067181685.db2.gz ADIYLJIUQLODAO-UHFFFAOYSA-N 0 0 452.942 4.529 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2ccc3c(c2)C[C@H](OC)C3)nnc1-c1ccc(Cl)cc1 ZINC001458879641 1067184991 /nfs/dbraw/zinc/18/49/91/1067184991.db2.gz UOWLVVLNJVFVDC-HXUWFJFHSA-N 0 0 454.983 4.629 20 30 JJEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001458894839 1067188545 /nfs/dbraw/zinc/18/85/45/1067188545.db2.gz UQOHRHXZWIOHFV-UHFFFAOYSA-N 0 0 455.484 4.755 20 30 JJEDRN C[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)c1ccccc1C(F)(F)F ZINC001545842903 1067195070 /nfs/dbraw/zinc/19/50/70/1067195070.db2.gz LEWYPTSWRLYPGW-DLBZAZTESA-N 0 0 452.517 4.964 20 30 JJEDRN COc1ccc([C@H](C)SCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)cc1 ZINC001458922708 1067198291 /nfs/dbraw/zinc/19/82/91/1067198291.db2.gz QHOGYJHBIKAVMP-FXAWDEMLSA-N 0 0 453.608 4.859 20 30 JJEDRN Cc1cn2c(CN(C)C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)c(C)nc2s1 ZINC001545848369 1067199306 /nfs/dbraw/zinc/19/93/06/1067199306.db2.gz ZSPGVPIIJWEGEI-UHFFFAOYSA-N 0 0 456.015 4.803 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001451973882 1067201893 /nfs/dbraw/zinc/20/18/93/1067201893.db2.gz OTRVYHOMHWGXAF-INIZCTEOSA-N 0 0 455.436 4.945 20 30 JJEDRN COc1ccccc1Cc1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)o1 ZINC001458937177 1067202868 /nfs/dbraw/zinc/20/28/68/1067202868.db2.gz URWDHVZZXCEJKW-OAHLLOKOSA-N 0 0 454.577 4.652 20 30 JJEDRN Cc1ccc(N(CCC#N)C(=O)COc2ccccc2NC(=O)COc2ccccc2)cc1C ZINC001458959909 1067209445 /nfs/dbraw/zinc/20/94/45/1067209445.db2.gz DJJYFXVYGKTHFR-UHFFFAOYSA-N 0 0 457.530 4.647 20 30 JJEDRN C=CCn1c(COc2ccccc2)nnc1SCc1ccc(N2CCC(OC)CC2)cc1 ZINC001458982881 1067217700 /nfs/dbraw/zinc/21/77/00/1067217700.db2.gz BOKDUUOXAORULJ-UHFFFAOYSA-N 0 0 450.608 4.951 20 30 JJEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC001458995227 1067223738 /nfs/dbraw/zinc/22/37/38/1067223738.db2.gz CPICOJMRAHVMQN-QFIPXVFZSA-N 0 0 452.555 4.603 20 30 JJEDRN C=CCN(C(=O)c1cccc(-n2nc(C)c(CC)c2C)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001459002510 1067226710 /nfs/dbraw/zinc/22/67/10/1067226710.db2.gz UFLZACZCNLWKOJ-SANMLTNESA-N 0 0 459.590 4.854 20 30 JJEDRN Cc1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1NC(=O)Nc1ccccc1 ZINC001452491874 1067227728 /nfs/dbraw/zinc/22/77/28/1067227728.db2.gz UPJGBWVAOZPGMH-XMMPIXPASA-N 0 0 453.546 4.862 20 30 JJEDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001459016470 1067229676 /nfs/dbraw/zinc/22/96/76/1067229676.db2.gz IHRLCMUDROPBGI-UHFFFAOYSA-N 0 0 458.440 4.666 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC001452523634 1067230965 /nfs/dbraw/zinc/23/09/65/1067230965.db2.gz YVAFUGZBCUFWJQ-RTWAWAEBSA-N 0 0 457.958 4.947 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC001452523636 1067230982 /nfs/dbraw/zinc/23/09/82/1067230982.db2.gz YVAFUGZBCUFWJQ-SFTDATJTSA-N 0 0 457.958 4.947 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(CCOc2ccc(C#N)cc2I)CC1 ZINC001459048355 1067239303 /nfs/dbraw/zinc/23/93/03/1067239303.db2.gz RZLGTWBVLGYZCB-UHFFFAOYSA-N 0 0 456.324 4.579 20 30 JJEDRN CC(C)c1cnc(S[C@H](C(N)=O)c2ccc(C#N)cc2)n1-c1cccc(Br)c1 ZINC001459081193 1067247823 /nfs/dbraw/zinc/24/78/23/1067247823.db2.gz ZBEMSSOKWLYMQT-IBGZPJMESA-N 0 0 455.381 4.949 20 30 JJEDRN C[C@H](Sc1nnc2ccc(Br)cn21)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC001459090478 1067249351 /nfs/dbraw/zinc/24/93/51/1067249351.db2.gz UPYGGCQBVPHZMO-FHXOWUIVSA-N 0 0 457.397 4.853 20 30 JJEDRN CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2Cl)C1 ZINC001546106285 1067250640 /nfs/dbraw/zinc/25/06/40/1067250640.db2.gz PYZHBDKNNDFZGV-UHFFFAOYSA-N 0 0 450.974 4.961 20 30 JJEDRN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC001452822390 1067255825 /nfs/dbraw/zinc/25/58/25/1067255825.db2.gz CIEQMONXBISIPV-UHFFFAOYSA-N 0 0 451.280 4.930 20 30 JJEDRN C=CCc1cc(C(=O)N[C@@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC001459126215 1067256474 /nfs/dbraw/zinc/25/64/74/1067256474.db2.gz RBLHMNHTUXCUSJ-JOCHJYFZSA-N 0 0 452.334 4.557 20 30 JJEDRN C=C(C)[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC001459179941 1067267012 /nfs/dbraw/zinc/26/70/12/1067267012.db2.gz BUWXAKYPTGZIDX-VXKWHMMOSA-N 0 0 455.505 4.675 20 30 JJEDRN C=C(C)[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001459183196 1067267321 /nfs/dbraw/zinc/26/73/21/1067267321.db2.gz KGAPIYFHOOTSPE-INIZCTEOSA-N 0 0 458.202 4.525 20 30 JJEDRN C=CCOc1ccc(CN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)C(C)(C)C)cc1 ZINC001459195152 1067269912 /nfs/dbraw/zinc/26/99/12/1067269912.db2.gz WMTWJESVZINEEI-UHFFFAOYSA-N 0 0 458.624 4.769 20 30 JJEDRN N#Cc1cccnc1OC1CCC(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC001459209822 1067271535 /nfs/dbraw/zinc/27/15/35/1067271535.db2.gz HMTRWQMFZBWYPD-UHFFFAOYSA-N 0 0 454.741 4.799 20 30 JJEDRN COc1cccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)o2)c1 ZINC001459209995 1067271567 /nfs/dbraw/zinc/27/15/67/1067271567.db2.gz HYSLYSPBDLAVJV-UHFFFAOYSA-N 0 0 459.531 4.755 20 30 JJEDRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC001459212706 1067272327 /nfs/dbraw/zinc/27/23/27/1067272327.db2.gz VDHVWWXLCPDULB-NWSMCOELSA-N 0 0 455.558 4.818 20 30 JJEDRN C#C[C@H](NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@@H]1CCCO1 ZINC001459231130 1067274756 /nfs/dbraw/zinc/27/47/56/1067274756.db2.gz WUPMJRICEKTLLZ-VLKNYHPOSA-N 0 0 457.636 4.693 20 30 JJEDRN C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)cc1 ZINC001459262497 1067279318 /nfs/dbraw/zinc/27/93/18/1067279318.db2.gz IHNBFDSWUOHDFY-RTWAWAEBSA-N 0 0 454.523 4.898 20 30 JJEDRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001459318226 1067293585 /nfs/dbraw/zinc/29/35/85/1067293585.db2.gz BSFIANQKGSROSV-QHCPKHFHSA-N 0 0 459.502 4.621 20 30 JJEDRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(C#N)CC2)O1 ZINC001546049300 1067295355 /nfs/dbraw/zinc/29/53/55/1067295355.db2.gz XZXHNTWPNGHGAF-KNQAVFIVSA-N 0 0 458.404 4.795 20 30 JJEDRN N#CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)C1 ZINC001453302469 1067295898 /nfs/dbraw/zinc/29/58/98/1067295898.db2.gz FPYXELVWNKNZOR-AWEZNQCLSA-N 0 0 452.363 4.560 20 30 JJEDRN O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccc(Br)cc1F ZINC001459350443 1067301236 /nfs/dbraw/zinc/30/12/36/1067301236.db2.gz XROHCOAHTBFPHG-RKDXNWHRSA-N 0 0 451.180 4.589 20 30 JJEDRN C=CCSc1ccccc1C(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 ZINC001459372169 1067305836 /nfs/dbraw/zinc/30/58/36/1067305836.db2.gz GHICTKVQXIXLLW-UHFFFAOYSA-N 0 0 453.427 4.567 20 30 JJEDRN Cc1[nH]nc(NC(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1C#N ZINC001453566707 1067314789 /nfs/dbraw/zinc/31/47/89/1067314789.db2.gz DTYQBVTXNVENHG-UHFFFAOYSA-N 0 0 457.534 4.626 20 30 JJEDRN C=CCn1c(SCC(=O)N2CC[C@@H](OC)C[C@H]2C)nnc1-c1ccc(Cl)cc1Cl ZINC001459411205 1067316006 /nfs/dbraw/zinc/31/60/06/1067316006.db2.gz XTUYRWKDFSKJJM-UKRRQHHQSA-N 0 0 455.411 4.556 20 30 JJEDRN COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001459413764 1067317139 /nfs/dbraw/zinc/31/71/39/1067317139.db2.gz FJJDUQNMXZOWQS-CLJLJLNGSA-N 0 0 459.977 4.833 20 30 JJEDRN C=CCN(CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)Cc1cc(Br)ccc1F ZINC001459421177 1067320463 /nfs/dbraw/zinc/32/04/63/1067320463.db2.gz UZDLGAGBVWOJEH-UHFFFAOYSA-N 0 0 451.336 4.581 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)c3cnc(-c4ccccc4Br)s3)CC2)nc1 ZINC001453804593 1067330239 /nfs/dbraw/zinc/33/02/39/1067330239.db2.gz PGXORIHLBOQXRL-UHFFFAOYSA-N 0 0 453.365 4.859 20 30 JJEDRN C#CCN(Cc1ncc(Br)cc1F)[C@H]1CCOc2ccc(Br)cc21 ZINC001459518215 1067343045 /nfs/dbraw/zinc/34/30/45/1067343045.db2.gz VDPYMFIDMFUGMS-KRWDZBQOSA-N 0 0 454.137 4.705 20 30 JJEDRN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)C1=O ZINC001459572593 1067355305 /nfs/dbraw/zinc/35/53/05/1067355305.db2.gz GAFSLBWNKAZKTD-OAHLLOKOSA-N 0 0 452.407 4.640 20 30 JJEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCO[C@H](c4ccc(Cl)s4)C3)sc2C1 ZINC001459587850 1067357932 /nfs/dbraw/zinc/35/79/32/1067357932.db2.gz ZVNWGNHZTBBFCX-BBRMVZONSA-N 0 0 450.029 4.862 20 30 JJEDRN CC[C@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1nc(C)cs1 ZINC001459727813 1067397423 /nfs/dbraw/zinc/39/74/23/1067397423.db2.gz NPMQEWINOJUDDA-DEOSSOPVSA-N 0 0 451.596 4.593 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1Cl ZINC001459750134 1067405961 /nfs/dbraw/zinc/40/59/61/1067405961.db2.gz YXVUHKZEXHWCGE-UHFFFAOYSA-N 0 0 459.933 4.531 20 30 JJEDRN CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2scnc2C)C1 ZINC001546112047 1067433869 /nfs/dbraw/zinc/43/38/69/1067433869.db2.gz AMVQPBQZHCWNNT-UHFFFAOYSA-N 0 0 450.612 4.753 20 30 JJEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001459813677 1067434963 /nfs/dbraw/zinc/43/49/63/1067434963.db2.gz VBZSRMLRLVHWHM-IBGZPJMESA-N 0 0 457.353 4.881 20 30 JJEDRN COc1cc(CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)ccc1C#N ZINC001459858034 1067460395 /nfs/dbraw/zinc/46/03/95/1067460395.db2.gz VGJSAQWZHNPUDC-UHFFFAOYSA-N 0 0 453.498 4.729 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCSC(C)C)c1 ZINC001459880088 1067470696 /nfs/dbraw/zinc/47/06/96/1067470696.db2.gz JHZDOQYFIKPZMH-UHFFFAOYSA-N 0 0 453.029 4.593 20 30 JJEDRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001459899738 1067479233 /nfs/dbraw/zinc/47/92/33/1067479233.db2.gz UPQZMMZJGKRFLI-SGTLLEGYSA-N 0 0 455.381 4.630 20 30 JJEDRN Fc1ccc([C@H](NCc2nnnn2-c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1Cl ZINC001460014083 1067527752 /nfs/dbraw/zinc/52/77/52/1067527752.db2.gz AVMPCGKRGBFPDX-HNNXBMFYSA-N 0 0 453.749 4.867 20 30 JJEDRN CN(CCC(F)(F)F)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC001460016171 1067528815 /nfs/dbraw/zinc/52/88/15/1067528815.db2.gz SDSZEZTYNQYRPH-FQEVSTJZSA-N 0 0 453.892 4.527 20 30 JJEDRN C=CCC1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CCCC1 ZINC001460027210 1067533268 /nfs/dbraw/zinc/53/32/68/1067533268.db2.gz PKEKWTUAMJXTBV-UHFFFAOYSA-N 0 0 459.011 4.958 20 30 JJEDRN COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cc2)c1 ZINC001460030036 1067533977 /nfs/dbraw/zinc/53/39/77/1067533977.db2.gz IBGVZKNBQPXCCN-SANMLTNESA-N 0 0 457.530 4.653 20 30 JJEDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001460048298 1067538900 /nfs/dbraw/zinc/53/89/00/1067538900.db2.gz TYGRLZCXUPCHDE-VQTJNVASSA-N 0 0 452.769 4.743 20 30 JJEDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001460048301 1067538937 /nfs/dbraw/zinc/53/89/37/1067538937.db2.gz TYGRLZCXUPCHDE-WOJBJXKFSA-N 0 0 452.769 4.743 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)CCN[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cc1 ZINC001460082722 1067549365 /nfs/dbraw/zinc/54/93/65/1067549365.db2.gz RLCKBQWFXFXFOP-GOSISDBHSA-N 0 0 456.782 4.514 20 30 JJEDRN O=C(CN1CCOC[C@@H]1c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460112349 1067557318 /nfs/dbraw/zinc/55/73/18/1067557318.db2.gz QOQMUKNNPVUEFX-QGZVFWFLSA-N 0 0 450.354 4.875 20 30 JJEDRN CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001460129043 1067561017 /nfs/dbraw/zinc/56/10/17/1067561017.db2.gz HEXQOIXHEKBZBV-VGSWGCGISA-N 0 0 455.917 4.880 20 30 JJEDRN C=CCN(CCC#N)CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC001460148750 1067565315 /nfs/dbraw/zinc/56/53/15/1067565315.db2.gz ADLHITBWAXQMQG-UHFFFAOYSA-N 0 0 456.999 4.873 20 30 JJEDRN C=CC[C@@]1(C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C ZINC001460180494 1067572308 /nfs/dbraw/zinc/57/23/08/1067572308.db2.gz NGFCZTXKJVDTOW-BVZFJXPGSA-N 0 0 452.636 4.985 20 30 JJEDRN C=CCN(C(=O)CN1CCC[C@@H]2COC[C@@H]21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460224486 1067583588 /nfs/dbraw/zinc/58/35/88/1067583588.db2.gz RJMAKNFWHRLCOS-BEFAXECRSA-N 0 0 452.407 4.747 20 30 JJEDRN C=CCN(C(=O)CN1CCC[C@@H](CO)[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226329 1067583794 /nfs/dbraw/zinc/58/37/94/1067583794.db2.gz JFNGONWWQTZRBW-ZBFHGGJFSA-N 0 0 454.423 4.729 20 30 JJEDRN C=CCN(C(=O)CN1CCC[C@H](CO)[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226325 1067583990 /nfs/dbraw/zinc/58/39/90/1067583990.db2.gz JFNGONWWQTZRBW-GOEBONIOSA-N 0 0 454.423 4.729 20 30 JJEDRN C[C@]1(F)CCCN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)C1 ZINC001460333189 1067610523 /nfs/dbraw/zinc/61/05/23/1067610523.db2.gz OTJXWDJFPFOEOJ-HNNXBMFYSA-N 0 0 458.765 4.923 20 30 JJEDRN N#Cc1ccc(-c2cc(N3CCN(Cc4ccc(Cl)c(Br)c4)CC3)n[nH]2)cc1 ZINC001460360951 1067618370 /nfs/dbraw/zinc/61/83/70/1067618370.db2.gz JIUPUUUYUXCHKY-UHFFFAOYSA-N 0 0 456.775 4.686 20 30 JJEDRN Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC001460445756 1067636259 /nfs/dbraw/zinc/63/62/59/1067636259.db2.gz LJXONIRARSBHBJ-UHFFFAOYSA-N 0 0 452.514 4.691 20 30 JJEDRN Cc1sc(NC(=O)CN2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c(C#N)c1C ZINC001460530504 1067651832 /nfs/dbraw/zinc/65/18/32/1067651832.db2.gz GRTSRQDHYQUWSB-UHFFFAOYSA-N 0 0 451.571 4.584 20 30 JJEDRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 ZINC001460566049 1067657255 /nfs/dbraw/zinc/65/72/55/1067657255.db2.gz ATHBXSNQEKXDSE-UHFFFAOYSA-N 0 0 453.589 4.995 20 30 JJEDRN CC(C)(C)c1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C#N ZINC001460572435 1067658197 /nfs/dbraw/zinc/65/81/97/1067658197.db2.gz VUMLXPJYMJBQBR-UHFFFAOYSA-N 0 0 459.637 4.663 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611853 1067671943 /nfs/dbraw/zinc/67/19/43/1067671943.db2.gz UBIDXFFSCCYHQR-VXKWHMMOSA-N 0 0 456.631 4.708 20 30 JJEDRN Cc1nsc(N2CCN(C(=O)c3ccccc3OCc3ccccc3Cl)CC2)c1C#N ZINC001460633209 1067679544 /nfs/dbraw/zinc/67/95/44/1067679544.db2.gz FOOPTTVQHHLLOW-UHFFFAOYSA-N 0 0 452.967 4.518 20 30 JJEDRN CC(C)OCc1nc([C@@H](C)NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)no1 ZINC001460653506 1067688371 /nfs/dbraw/zinc/68/83/71/1067688371.db2.gz MIWRMWBCSJQBRE-SNVBAGLBSA-N 0 0 457.346 4.775 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC001460753709 1067716473 /nfs/dbraw/zinc/71/64/73/1067716473.db2.gz ZBBGVJLQCNBVMT-WBVHZDCISA-N 0 0 450.423 4.692 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cc3ccccc3n2CC#N)C1 ZINC001460766576 1067719861 /nfs/dbraw/zinc/71/98/61/1067719861.db2.gz QKARDPMZEDOXND-UNMCSNQZSA-N 0 0 450.583 4.807 20 30 JJEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCC[C@@H](c4ncccn4)C3)sc2C1 ZINC001460792282 1067724537 /nfs/dbraw/zinc/72/45/37/1067724537.db2.gz JUCQDCGXYZORDY-MSOLQXFVSA-N 0 0 451.640 4.769 20 30 JJEDRN N#C[C@@H]1CCC[C@H](OC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C1 ZINC001460798264 1067725751 /nfs/dbraw/zinc/72/57/51/1067725751.db2.gz QJSQFTHXWOQEKH-QRWLVFNGSA-N 0 0 454.502 4.930 20 30 JJEDRN N#C[C@H]1CCC[C@@H](OC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 ZINC001460798707 1067726284 /nfs/dbraw/zinc/72/62/84/1067726284.db2.gz TWIRTBUCBPRSQA-MAUKXSAKSA-N 0 0 456.955 4.957 20 30 JJEDRN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001460985151 1067757573 /nfs/dbraw/zinc/75/75/73/1067757573.db2.gz TYLYVMCJOMGQSG-INIZCTEOSA-N 0 0 457.353 4.559 20 30 JJEDRN N#Cc1cccc(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)c1Br ZINC001461024144 1067763657 /nfs/dbraw/zinc/76/36/57/1067763657.db2.gz JYCYYEIECSHDEP-UHFFFAOYSA-N 0 0 455.333 4.547 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC001461064906 1067774300 /nfs/dbraw/zinc/77/43/00/1067774300.db2.gz JHJCTTSDDBXPPL-PXAZEXFGSA-N 0 0 453.258 4.885 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC001461099098 1067781637 /nfs/dbraw/zinc/78/16/37/1067781637.db2.gz IBKLBIFSKOYIAF-DZGCQCFKSA-N 0 0 451.365 4.518 20 30 JJEDRN O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001461145767 1067788613 /nfs/dbraw/zinc/78/86/13/1067788613.db2.gz DGBKRLBASLFHPZ-UHFFFAOYSA-N 0 0 454.254 4.865 20 30 JJEDRN N#Cc1cc(Br)c(OC(=O)c2ccc(-c3ccccn3)nc2)c(Br)c1 ZINC001461147422 1067789141 /nfs/dbraw/zinc/78/91/41/1067789141.db2.gz FPYBDFXVDFOMQA-UHFFFAOYSA-N 0 0 459.097 4.759 20 30 JJEDRN N#Cc1ccc(N2CCC[C@@H](NCc3csc(COc4ccc(Cl)cc4)n3)C2=O)cc1 ZINC001461435788 1067856366 /nfs/dbraw/zinc/85/63/66/1067856366.db2.gz YYVXLMYMBNZKPZ-OAQYLSRUSA-N 0 0 452.967 4.532 20 30 JJEDRN C[C@@H]1CN(C(=O)c2ccc(NCc3cccc(OCc4ccccc4C#N)c3)cc2)C[C@H](C)O1 ZINC001461563210 1067888782 /nfs/dbraw/zinc/88/87/82/1067888782.db2.gz FCWVGMDFGHINKP-OYRHEFFESA-N 0 0 455.558 4.999 20 30 JJEDRN N#Cc1cccc(OCCCCC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC001461585101 1067894304 /nfs/dbraw/zinc/89/43/04/1067894304.db2.gz WXBKJMLHMIMYKS-SANMLTNESA-N 0 0 453.542 4.621 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2ccc3c(c2)COC(=O)N3)nnc1-c1ccc(Cl)cc1 ZINC001461597909 1067898214 /nfs/dbraw/zinc/89/82/14/1067898214.db2.gz AYFMYBKWNWNKTG-UHFFFAOYSA-N 0 0 455.927 4.577 20 30 JJEDRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC001461611079 1067901196 /nfs/dbraw/zinc/90/11/96/1067901196.db2.gz CPGRSKYTGPJCMW-UHFFFAOYSA-N 0 0 454.640 4.731 20 30 JJEDRN COc1ccc(CNc2cc(Br)cc(I)c2C)cc1C#N ZINC001461666750 1067914267 /nfs/dbraw/zinc/91/42/67/1067914267.db2.gz GNGUZVVREWTIGP-UHFFFAOYSA-N 0 0 457.109 4.855 20 30 JJEDRN C=CC(C)(C)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001461783351 1067936514 /nfs/dbraw/zinc/93/65/14/1067936514.db2.gz DHQZGWLKMUHCLC-ILBGXUMGSA-N 0 0 450.579 4.907 20 30 JJEDRN CCCCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1OC ZINC001461788359 1067937172 /nfs/dbraw/zinc/93/71/72/1067937172.db2.gz UKXGUURTJHMUJE-UHFFFAOYSA-N 0 0 455.580 4.744 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2cc(F)cc(F)c2)nc1)c1ccccc1 ZINC001461921178 1067961479 /nfs/dbraw/zinc/96/14/79/1067961479.db2.gz PKDCRUIIUYIFNV-UHFFFAOYSA-N 0 0 450.445 4.818 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2F)c1 ZINC001462008749 1067979631 /nfs/dbraw/zinc/97/96/31/1067979631.db2.gz BUJBSZZOLDOJIZ-VQTJNVASSA-N 0 0 450.963 4.732 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cccc(NCc2ccc(C#N)c(F)c2)c1 ZINC001462023273 1067983326 /nfs/dbraw/zinc/98/33/26/1067983326.db2.gz JSFFXOOUVZVUHO-OAQYLSRUSA-N 0 0 453.514 4.866 20 30 JJEDRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001462101122 1068002571 /nfs/dbraw/zinc/00/25/71/1068002571.db2.gz WUWRECQBSPGUQY-CQSZACIVSA-N 0 0 452.301 4.538 20 30 JJEDRN F[C@@H]1CC2(CC[C@H]1N1CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1)OCCO2 ZINC001462137742 1068013171 /nfs/dbraw/zinc/01/31/71/1068013171.db2.gz NNNHHBKPXFAWRL-ZACQAIPSSA-N 0 0 457.386 4.731 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)C(=O)OCC ZINC001462154899 1068018097 /nfs/dbraw/zinc/01/80/97/1068018097.db2.gz KTTCZLMNBBWACO-SFHVURJKSA-N 0 0 450.366 4.599 20 30 JJEDRN COc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)cc1C#N ZINC001462310194 1068048342 /nfs/dbraw/zinc/04/83/42/1068048342.db2.gz AHKGXPTWISSCDB-UHFFFAOYSA-N 0 0 451.408 4.814 20 30 JJEDRN Cc1cc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)nn1-c1ccc(Cl)cc1Cl ZINC001462324405 1068051502 /nfs/dbraw/zinc/05/15/02/1068051502.db2.gz CUBHXCNIKBJKAZ-UHFFFAOYSA-N 0 0 451.317 4.856 20 30 JJEDRN CCC1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(CCC#N)CCOC)CCOCC1 ZINC001546130981 1068056113 /nfs/dbraw/zinc/05/61/13/1068056113.db2.gz KZMYBFMPQQHKBL-UHFFFAOYSA-N 0 0 453.631 4.816 20 30 JJEDRN N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cccc(Sc3cccc(Br)c3)n1)C2 ZINC001462359001 1068059228 /nfs/dbraw/zinc/05/92/28/1068059228.db2.gz XICHDHWMXRDRRF-SFHVURJKSA-N 0 0 450.361 4.764 20 30 JJEDRN C[C@H](C#N)N(Cc1ncc(I)s1)Cc1cccc(C(F)(F)F)c1 ZINC001462363489 1068060585 /nfs/dbraw/zinc/06/05/85/1068060585.db2.gz IMRQRKMONUBDJF-SNVBAGLBSA-N 0 0 451.255 4.681 20 30 JJEDRN CCc1c(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)nnn1-c1ccc(OC(C)C)cc1 ZINC001462372326 1068062190 /nfs/dbraw/zinc/06/21/90/1068062190.db2.gz OHSFQMPOIGHSKY-NRFANRHFSA-N 0 0 457.456 4.522 20 30 JJEDRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(CC#N)n3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001462420120 1068070925 /nfs/dbraw/zinc/07/09/25/1068070925.db2.gz CKFONCFIGGOICH-JYFHCDHNSA-N 0 0 454.530 4.588 20 30 JJEDRN N#Cc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1C1CC1 ZINC001462466052 1068080428 /nfs/dbraw/zinc/08/04/28/1068080428.db2.gz KVOGQFDKOVASDL-IBGZPJMESA-N 0 0 457.317 4.586 20 30 JJEDRN C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1ccccc1 ZINC001462505247 1068087243 /nfs/dbraw/zinc/08/72/43/1068087243.db2.gz MYIPZHAMFUASKO-XMMPIXPASA-N 0 0 454.636 4.918 20 30 JJEDRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 ZINC001546132368 1068096446 /nfs/dbraw/zinc/09/64/46/1068096446.db2.gz GGFQRKTXOGSHMW-HSZRJFAPSA-N 0 0 458.006 4.944 20 30 JJEDRN COc1cc(C#N)ccc1C(=O)N1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001462633175 1068118860 /nfs/dbraw/zinc/11/88/60/1068118860.db2.gz DOTJCGHNSPICAU-UGKGYDQZSA-N 0 0 455.599 4.893 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(C(=O)COc2ccc(C#N)cc2)C1)C1CCCC1 ZINC001462633442 1068118942 /nfs/dbraw/zinc/11/89/42/1068118942.db2.gz FLJBYCGURNFQQG-NFBKMPQASA-N 0 0 455.599 4.649 20 30 JJEDRN COc1cc(C#N)ccc1C(=O)N1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001462633172 1068118953 /nfs/dbraw/zinc/11/89/53/1068118953.db2.gz DOTJCGHNSPICAU-DENIHFKCSA-N 0 0 455.599 4.893 20 30 JJEDRN CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001462710701 1068138877 /nfs/dbraw/zinc/13/88/77/1068138877.db2.gz WHHGQXGNLYADGS-UHFFFAOYSA-N 0 0 450.232 4.506 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1Br ZINC001462908585 1068211055 /nfs/dbraw/zinc/21/10/55/1068211055.db2.gz AEPFZNPUBLEPKU-AWEZNQCLSA-N 0 0 457.752 4.509 20 30 JJEDRN N#Cc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C2CC2)c1 ZINC001463041121 1068261153 /nfs/dbraw/zinc/26/11/53/1068261153.db2.gz TXWXHWHKBLFHAX-LJQANCHMSA-N 0 0 457.317 4.586 20 30 JJEDRN Cn1cc(Br)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1=O ZINC001463043011 1068261808 /nfs/dbraw/zinc/26/18/08/1068261808.db2.gz QWWYDCXPEGBUSN-UHFFFAOYSA-N 0 0 458.699 4.717 20 30 JJEDRN CC(C)COc1ccc(C(C)(C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC001463050427 1068265554 /nfs/dbraw/zinc/26/55/54/1068265554.db2.gz SQCNFWBHGCKARK-UHFFFAOYSA-N 0 0 451.386 4.569 20 30 JJEDRN C[C@]1(C#N)CN(C(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)CCO1 ZINC001463086242 1068282548 /nfs/dbraw/zinc/28/25/48/1068282548.db2.gz DLNLKIABTVFTKV-QHCPKHFHSA-N 0 0 452.352 4.671 20 30 JJEDRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001463090484 1068283484 /nfs/dbraw/zinc/28/34/84/1068283484.db2.gz AVOCHVIJNHJSPJ-FQEVSTJZSA-N 0 0 455.345 4.632 20 30 JJEDRN O=S(=O)(C[C@@H]1CCC[C@H](C(F)(F)F)O1)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001463113043 1068291622 /nfs/dbraw/zinc/29/16/22/1068291622.db2.gz VSVDWIWEAIHKIF-MJBXVCDLSA-N 0 0 454.816 4.660 20 30 JJEDRN C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cccc(Cl)c1C ZINC001463116042 1068292687 /nfs/dbraw/zinc/29/26/87/1068292687.db2.gz YMONKWBBSFVXGN-QGZVFWFLSA-N 0 0 454.773 4.559 20 30 JJEDRN O=C(c1cccc(Br)c1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463147835 1068303119 /nfs/dbraw/zinc/30/31/19/1068303119.db2.gz FKZRRORGPMMGSC-AOOOYVTPSA-N 0 0 452.139 4.692 20 30 JJEDRN CCOCCOc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C(C)C ZINC001463148950 1068303365 /nfs/dbraw/zinc/30/33/65/1068303365.db2.gz WKUNXCSCRNLVDH-DNQXCXABSA-N 0 0 456.608 4.686 20 30 JJEDRN O=C(c1ccc(Cn2cccc2)cc1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463150392 1068304319 /nfs/dbraw/zinc/30/43/19/1068304319.db2.gz RFAMEZKHPMJSSX-GASCZTMLSA-N 0 0 452.345 4.779 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)N=S1(=O)c2ccccc2Nc2ccccc21)c1ccccc1 ZINC001463174364 1068309620 /nfs/dbraw/zinc/30/96/20/1068309620.db2.gz GBGPTESGOKZOFZ-UHFFFAOYSA-N 0 0 458.543 4.883 20 30 JJEDRN N#Cc1cc(S(=O)(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)ccc1F ZINC001463195599 1068316577 /nfs/dbraw/zinc/31/65/77/1068316577.db2.gz SRIDOKUJSOGJAW-UHFFFAOYSA-N 0 0 450.413 4.987 20 30 JJEDRN COC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1Cl ZINC001463231268 1068329350 /nfs/dbraw/zinc/32/93/50/1068329350.db2.gz LHSPLUDPDRTKLK-UHFFFAOYSA-N 0 0 458.879 4.950 20 30 JJEDRN COC(=O)c1ccc2cc(CCNC(=O)c3cccc(COc4cccc(C#N)c4)c3)oc2c1 ZINC001463333210 1068359181 /nfs/dbraw/zinc/35/91/81/1068359181.db2.gz BUIUYCLPGKAGJF-UHFFFAOYSA-N 0 0 454.482 4.643 20 30 JJEDRN CCCCCOc1cc(C)ccc1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC001463336935 1068361004 /nfs/dbraw/zinc/36/10/04/1068361004.db2.gz XXMZFGHIEXDGKD-UHFFFAOYSA-N 0 0 451.386 4.677 20 30 JJEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1C ZINC001463355627 1068369127 /nfs/dbraw/zinc/36/91/27/1068369127.db2.gz DSEIMCYHYDYUPH-HXUWFJFHSA-N 0 0 457.706 4.584 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N2CCCCc3c(Br)cccc32)ccc1C(F)(F)F ZINC001463396117 1068382919 /nfs/dbraw/zinc/38/29/19/1068382919.db2.gz XNVVSGWTBZRKAV-UHFFFAOYSA-N 0 0 459.287 4.871 20 30 JJEDRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(F)(F)F ZINC001463404656 1068386064 /nfs/dbraw/zinc/38/60/64/1068386064.db2.gz UGAFIYUDXVSJMX-DYESRHJHSA-N 0 0 456.468 4.590 20 30 JJEDRN CC(C)c1ccc2c(c1)[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)CCC2 ZINC001463460082 1068406786 /nfs/dbraw/zinc/40/67/86/1068406786.db2.gz RCZBMFCNUZYIMY-IBGZPJMESA-N 0 0 451.361 4.939 20 30 JJEDRN COc1cc(CCNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc(OC)c1 ZINC001463473847 1068413734 /nfs/dbraw/zinc/41/37/34/1068413734.db2.gz UDRZECLFOVQBRP-UHFFFAOYSA-N 0 0 453.354 4.966 20 30 JJEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCCC[C@@H]1CC(=O)c1cccs1 ZINC001463477770 1068414984 /nfs/dbraw/zinc/41/49/84/1068414984.db2.gz YUKQDNMRYXYTDF-MRXNPFEDSA-N 0 0 456.511 4.845 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1Br ZINC001463507998 1068423292 /nfs/dbraw/zinc/42/32/92/1068423292.db2.gz YNBUESLANOXCDL-AWEZNQCLSA-N 0 0 459.287 4.518 20 30 JJEDRN COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001463529956 1068429384 /nfs/dbraw/zinc/42/93/84/1068429384.db2.gz WENSKZIXDSHHNZ-LLVKDONJSA-N 0 0 451.367 4.584 20 30 JJEDRN Cc1ccc(Br)c(S(=O)(=O)O[C@H](COCc2ccccc2)C(F)(F)F)c1 ZINC001463609345 1068464643 /nfs/dbraw/zinc/46/46/43/1068464643.db2.gz IANGDRFKFLTOBV-MRXNPFEDSA-N 0 0 453.276 4.611 20 30 JJEDRN N#CC1(c2ccccn2)CCN(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 ZINC001463609594 1068465466 /nfs/dbraw/zinc/46/54/66/1068465466.db2.gz YBROHADIYGKHIJ-UHFFFAOYSA-N 0 0 453.951 4.773 20 30 JJEDRN O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463627051 1068472957 /nfs/dbraw/zinc/47/29/57/1068472957.db2.gz SOONDOLBSBIMBZ-RAXLEYEMSA-N 0 0 458.898 4.501 20 30 JJEDRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC001463627907 1068473556 /nfs/dbraw/zinc/47/35/56/1068473556.db2.gz DWVJXOHHQCFNLP-HXUWFJFHSA-N 0 0 452.407 4.688 20 30 JJEDRN C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC001463631514 1068475510 /nfs/dbraw/zinc/47/55/10/1068475510.db2.gz GXETUQYZKYVQRK-VQTJNVASSA-N 0 0 454.571 4.611 20 30 JJEDRN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463655605 1068483883 /nfs/dbraw/zinc/48/38/83/1068483883.db2.gz DSAXLVHOSZNAAU-FQEVSTJZSA-N 0 0 457.379 4.962 20 30 JJEDRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC001463672066 1068489821 /nfs/dbraw/zinc/48/98/21/1068489821.db2.gz HCVRYEQNQVLIQT-LBPRGKRZSA-N 0 0 450.404 4.848 20 30 JJEDRN Cc1cc(OS(=O)(=O)c2cccc(Br)c2C#N)c(C)c(C)c1Br ZINC001463670882 1068489840 /nfs/dbraw/zinc/48/98/40/1068489840.db2.gz WYVVPMKBBIRYKT-UHFFFAOYSA-N 0 0 459.159 4.776 20 30 JJEDRN N#Cc1cccc(C2(NS(=O)(=O)c3ccc(-c4ccc(Br)cc4)cc3)CC2)c1 ZINC001463685808 1068493601 /nfs/dbraw/zinc/49/36/01/1068493601.db2.gz BAWUHKXKQCISQF-UHFFFAOYSA-N 0 0 453.361 4.955 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC001463695131 1068496733 /nfs/dbraw/zinc/49/67/33/1068496733.db2.gz CGKHPXCGVABXII-UHFFFAOYSA-N 0 0 451.898 4.783 20 30 JJEDRN Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463695089 1068496795 /nfs/dbraw/zinc/49/67/95/1068496795.db2.gz BXFSIYVMIJUORZ-UHFFFAOYSA-N 0 0 454.367 4.864 20 30 JJEDRN CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001463792929 1068525790 /nfs/dbraw/zinc/52/57/90/1068525790.db2.gz PEASQFPRMZZVJO-KRWDZBQOSA-N 0 0 458.889 4.771 20 30 JJEDRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001463794976 1068526880 /nfs/dbraw/zinc/52/68/80/1068526880.db2.gz MFFTZOOLRHDIHH-FQEVSTJZSA-N 0 0 455.345 4.980 20 30 JJEDRN Cc1cc(C(C)(C)C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccc1Br ZINC001463797718 1068527981 /nfs/dbraw/zinc/52/79/81/1068527981.db2.gz SVZCDVNPLHTNGB-OAQYLSRUSA-N 0 0 458.375 4.583 20 30 JJEDRN CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001463848396 1068547204 /nfs/dbraw/zinc/54/72/04/1068547204.db2.gz RGNHODDVXNEQKA-FQEVSTJZSA-N 0 0 453.536 4.989 20 30 JJEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC001463898589 1068559522 /nfs/dbraw/zinc/55/95/22/1068559522.db2.gz TWMHFTNPKCSKDY-UHFFFAOYSA-N 0 0 453.342 4.776 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc4cc(OC)c(OC)cc4[nH]3)c2)c1 ZINC001463899434 1068560094 /nfs/dbraw/zinc/56/00/94/1068560094.db2.gz PRQCTRBCEGCWIS-UHFFFAOYSA-N 0 0 454.482 4.624 20 30 JJEDRN COc1cc(Br)c(S(=O)(=O)Oc2c(C)cc(Cl)cc2C#N)cc1Cl ZINC001463906530 1068561052 /nfs/dbraw/zinc/56/10/52/1068561052.db2.gz UWNOWAMRMXFNIW-UHFFFAOYSA-N 0 0 451.125 4.712 20 30 JJEDRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cc2C1 ZINC001464011651 1068588321 /nfs/dbraw/zinc/58/83/21/1068588321.db2.gz HLLZXGJGDFKGDW-IBGZPJMESA-N 0 0 456.340 4.694 20 30 JJEDRN N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(Br)cc1 ZINC001464015176 1068589249 /nfs/dbraw/zinc/58/92/49/1068589249.db2.gz GUGYDKHYEOWQHE-FQEVSTJZSA-N 0 0 452.283 4.835 20 30 JJEDRN N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(Br)cc1 ZINC001464015180 1068589332 /nfs/dbraw/zinc/58/93/32/1068589332.db2.gz GUGYDKHYEOWQHE-HXUWFJFHSA-N 0 0 452.283 4.835 20 30 JJEDRN N#C[C@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1ccc(Br)cc1 ZINC001464017990 1068590564 /nfs/dbraw/zinc/59/05/64/1068590564.db2.gz OENIMVWBNVJTDD-INIZCTEOSA-N 0 0 456.731 4.555 20 30 JJEDRN N#C[C@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Br)cc1 ZINC001464017901 1068590637 /nfs/dbraw/zinc/59/06/37/1068590637.db2.gz NISNYLYPSGAVRZ-YJBOKZPZSA-N 0 0 455.381 4.656 20 30 JJEDRN Cc1nc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)sc1SCC(N)=O ZINC001464053599 1068600928 /nfs/dbraw/zinc/60/09/28/1068600928.db2.gz GAZANLBSXFFMHX-UHFFFAOYSA-N 0 0 458.952 4.599 20 30 JJEDRN CC(C)(NS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC001464068234 1068604156 /nfs/dbraw/zinc/60/41/56/1068604156.db2.gz WRGVZYMOSRAHDN-UHFFFAOYSA-N 0 0 451.495 4.914 20 30 JJEDRN O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001464090516 1068611627 /nfs/dbraw/zinc/61/16/27/1068611627.db2.gz FMUCKQRINHXZLW-MHWZDGSBSA-N 0 0 474.396 4.923 20 30 JJEDRN O=S(=O)(NCc1cnccc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001464121489 1068622414 /nfs/dbraw/zinc/62/24/14/1068622414.db2.gz JJULJZREMVOTQL-UHFFFAOYSA-N 0 0 452.298 4.617 20 30 JJEDRN N#Cc1ccc(C2(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)CCCC2)cc1 ZINC001464127887 1068625530 /nfs/dbraw/zinc/62/55/30/1068625530.db2.gz HOPMGVYJYNLUIB-UHFFFAOYSA-N 0 0 456.373 4.661 20 30 JJEDRN COc1ccc(CNC(=O)/C=C\C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 ZINC001464141482 1068631846 /nfs/dbraw/zinc/63/18/46/1068631846.db2.gz GBNKPFCQEUSRHG-OILJVOJPSA-N 0 0 459.933 4.815 20 30 JJEDRN COc1ccc(CNC(=O)/C=C/C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 ZINC001464141487 1068632464 /nfs/dbraw/zinc/63/24/64/1068632464.db2.gz GBNKPFCQEUSRHG-ZVQQDINOSA-N 0 0 459.933 4.815 20 30 JJEDRN O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC001464248166 1068674807 /nfs/dbraw/zinc/67/48/07/1068674807.db2.gz GZDUDTYVTKPRHT-KPKJPENVSA-N 0 0 454.860 4.769 20 30 JJEDRN C=CC[C@]1(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)CCCN1C(=O)OC(C)(C)C ZINC001464269377 1068682599 /nfs/dbraw/zinc/68/25/99/1068682599.db2.gz OOSNCFHHMWSVFY-AREMUKBSSA-N 0 0 452.599 4.814 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC001464276677 1068686140 /nfs/dbraw/zinc/68/61/40/1068686140.db2.gz NXPMVVPYXUYROL-QFIPXVFZSA-N 0 0 458.986 4.960 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)[nH]n1 ZINC001464291061 1068693437 /nfs/dbraw/zinc/69/34/37/1068693437.db2.gz CDGRPUNVAGOCOX-NRFANRHFSA-N 0 0 450.926 4.707 20 30 JJEDRN N#Cc1sc2ccccc2c1S(=O)(=O)NCCc1cc(Cl)cc(Br)c1 ZINC001464369719 1068721072 /nfs/dbraw/zinc/72/10/72/1068721072.db2.gz YQMNKTQBIRLNKU-UHFFFAOYSA-N 0 0 455.786 4.710 20 30 JJEDRN CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CCC#N ZINC001464374842 1068722927 /nfs/dbraw/zinc/72/29/27/1068722927.db2.gz NFYIKTNYDNHGGE-VWLOTQADSA-N 0 0 458.562 4.596 20 30 JJEDRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccc(C#CCO)c1 ZINC001464481291 1068761689 /nfs/dbraw/zinc/76/16/89/1068761689.db2.gz WGSRFBGDQZOFPG-UHFFFAOYSA-N 0 0 452.432 4.862 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001464549873 1068779101 /nfs/dbraw/zinc/77/91/01/1068779101.db2.gz XDFMTLPVCBFNCI-JOCHJYFZSA-N 0 0 458.518 4.820 20 30 JJEDRN C=CCc1cc(CNC(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc(OC)c1OC ZINC001464555820 1068780102 /nfs/dbraw/zinc/78/01/02/1068780102.db2.gz GCDGWAUXBULKBF-KRWDZBQOSA-N 0 0 454.567 4.948 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CCC ZINC001464575760 1068788452 /nfs/dbraw/zinc/78/84/52/1068788452.db2.gz ZUXJXUKRVXIDOY-GAJHUEQPSA-N 0 0 451.954 4.845 20 30 JJEDRN C=C(Br)CNC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464589449 1068792519 /nfs/dbraw/zinc/79/25/19/1068792519.db2.gz VYHNENWVFWNARY-UHFFFAOYSA-N 0 0 457.368 4.720 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001464680946 1068823199 /nfs/dbraw/zinc/82/31/99/1068823199.db2.gz BZZVOQLXAPNIBV-MZKRTTBSSA-N 0 0 463.534 4.801 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001464680928 1068823238 /nfs/dbraw/zinc/82/32/38/1068823238.db2.gz BZZVOQLXAPNIBV-MIZPHKNDSA-N 0 0 463.534 4.801 20 30 JJEDRN N#CCCCOc1cccnc1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001464706407 1068833005 /nfs/dbraw/zinc/83/30/05/1068833005.db2.gz HJFXWPXTOGWFMW-UHFFFAOYSA-N 0 0 452.561 4.809 20 30 JJEDRN N#CCOc1cccc(CC(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1 ZINC001464719156 1068837103 /nfs/dbraw/zinc/83/71/03/1068837103.db2.gz YROOJRZRMFXEHI-MHZLTWQESA-N 0 0 459.977 4.719 20 30 JJEDRN N#CCOc1cccc(CC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1 ZINC001464719151 1068837406 /nfs/dbraw/zinc/83/74/06/1068837406.db2.gz YROOJRZRMFXEHI-HHHXNRCGSA-N 0 0 459.977 4.719 20 30 JJEDRN C=CCn1c2nnc(SCC(=O)Nc3c(Cl)cccc3C(F)(F)F)n2c2ccccc2c1=O ZINC000003300059 194272110 /nfs/dbraw/zinc/27/21/10/194272110.db2.gz NUAXLCZLZQFVML-UHFFFAOYSA-N 0 0 493.898 4.633 20 30 JJEDRN C=CCn1c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2c2ccccc2c1=O ZINC000003301676 194272823 /nfs/dbraw/zinc/27/28/23/194272823.db2.gz TZSOFXPZGWYXIW-UHFFFAOYSA-N 0 0 483.553 4.753 20 30 JJEDRN C=CCn1c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2c2ccccc2c1=O ZINC000003294812 194269736 /nfs/dbraw/zinc/26/97/36/194269736.db2.gz HSNNGGPONAZLIL-UHFFFAOYSA-N 0 0 493.898 4.633 20 30 JJEDRN C=CCn1c2nnc(SCc3csc(-c4cccc(OC)c4)n3)n2c2ccccc2c1=O ZINC000009956296 195036384 /nfs/dbraw/zinc/03/63/84/195036384.db2.gz UKWPDXLWYDBNEZ-UHFFFAOYSA-N 0 0 461.572 4.655 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)Nc5ccccc5[C@@H]4C3)cnc2Cl)c1 ZINC001164401498 718859700 /nfs/dbraw/zinc/85/97/00/718859700.db2.gz FKSWJEFCVWZFAE-PMACEKPBSA-N 0 0 450.876 4.991 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5NC(=O)[C@@H]4C3)cnc2Cl)c1 ZINC001164401500 718859816 /nfs/dbraw/zinc/85/98/16/718859816.db2.gz FKSWJEFCVWZFAE-VQTJNVASSA-N 0 0 450.876 4.991 20 30 JJEDRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2 ZINC001164409750 718867294 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RONXFTBZCPHPCA-UHFFFAOYSA-N 0 0 468.935 4.909 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)[C@H]2CC ZINC001164699670 719822303 /nfs/dbraw/zinc/82/23/03/719822303.db2.gz HUSLCELKUDKDAW-LAUBAEHRSA-N 0 0 452.908 4.893 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)[C@H]2CC ZINC001164704549 719823260 /nfs/dbraw/zinc/82/32/60/719823260.db2.gz ZIRUDAIPKIBOFK-RXFWQSSRSA-N 0 0 467.683 4.830 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)[C@@H]2CC ZINC001164702983 719823270 /nfs/dbraw/zinc/82/32/70/719823270.db2.gz UAYZXFDHTZYGBF-XMSQKQJNSA-N 0 0 461.944 4.663 20 30 JJEDRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C[C@H]21 ZINC001164827248 720426331 /nfs/dbraw/zinc/42/63/31/720426331.db2.gz RZLCGFJSTYZBIW-LBTNJELSSA-N 0 0 497.373 4.572 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164734982 720536792 /nfs/dbraw/zinc/53/67/92/720536792.db2.gz MATISAFLRUZIQM-JLTOFOAXSA-N 0 0 469.319 4.654 20 30 JJEDRN CC[C@@H]1N(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)CCC[C@@]12CCC(=O)N2 ZINC001164844709 720760648 /nfs/dbraw/zinc/76/06/48/720760648.db2.gz COPCROMQICPNIA-OXJNMPFZSA-N 0 0 453.320 4.986 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCC(=O)N4c3ccccc3)c(Cl)nn2)c1 ZINC001164847196 720769132 /nfs/dbraw/zinc/76/91/32/720769132.db2.gz LUHUOOGBARGNKQ-VXKWHMMOSA-N 0 0 479.918 4.988 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCC(=O)N4c3ccccc3)c(Cl)nn2)cc1 ZINC001164848965 720769313 /nfs/dbraw/zinc/76/93/13/720769313.db2.gz RKZUHYGLCJVYPR-YADHBBJMSA-N 0 0 479.918 4.988 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCC(=O)N4c3ccccc3)c(Cl)nn2)cc1 ZINC001164848962 720769437 /nfs/dbraw/zinc/76/94/37/720769437.db2.gz RKZUHYGLCJVYPR-FCHUYYIVSA-N 0 0 479.918 4.988 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@H]43)cnc2Cl)cc1 ZINC001164759319 721011727 /nfs/dbraw/zinc/01/17/27/721011727.db2.gz LFMWXFAAFMQOPU-ZLNRFVROSA-N 0 0 482.918 4.634 20 30 JJEDRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)n1 ZINC001164771273 721057561 /nfs/dbraw/zinc/05/75/61/721057561.db2.gz MGAPZYFOUHNYRA-PKTZIBPZSA-N 0 0 493.945 4.902 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@H]32)N=C1C ZINC001164873970 721236182 /nfs/dbraw/zinc/23/61/82/721236182.db2.gz RQRMGVLOXXOCLH-OIAISFKWSA-N 0 0 492.357 4.824 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@H]43)c(Cl)nn2)cc1 ZINC001164872645 721252814 /nfs/dbraw/zinc/25/28/14/721252814.db2.gz DUZFUVIPDKXKJG-PMOQBDJRSA-N 0 0 497.933 4.814 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001164874238 721254557 /nfs/dbraw/zinc/25/45/57/721254557.db2.gz JXQSFFQWWAPPLX-OPAMFIHVSA-N 0 0 495.357 4.753 20 30 JJEDRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CCO3)c1 ZINC001164774683 721303682 /nfs/dbraw/zinc/30/36/82/721303682.db2.gz HLDSNUIGXKVKMG-NRFANRHFSA-N 0 0 467.347 4.989 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)c(Cl)nn2)cc1 ZINC001164880634 721315268 /nfs/dbraw/zinc/31/52/68/721315268.db2.gz YSPWDWRNNHBDBE-MTNREXPMSA-N 0 0 497.933 4.671 20 30 JJEDRN COc1cc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c(C#N)c(Cl)n1 ZINC001164776180 721329035 /nfs/dbraw/zinc/32/90/35/721329035.db2.gz DASPQSIILSUQON-UHFFFAOYSA-N 0 0 478.971 4.725 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164780401 721382935 /nfs/dbraw/zinc/38/29/35/721382935.db2.gz GWAZQGPEKUZMJE-IERDGZPVSA-N 0 0 483.346 4.792 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)cnc2Cl)c1 ZINC001164787601 721439577 /nfs/dbraw/zinc/43/95/77/721439577.db2.gz XUAMCFCUKWIWHA-HDICACEKSA-N 0 0 471.964 4.843 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cc(Cl)nc(C#N)c2)CCO3)cs1 ZINC001164780497 721443777 /nfs/dbraw/zinc/44/37/77/721443777.db2.gz BXNSABIDOYSKJB-MGPUTAFESA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(C#N)cc(Cl)n2)CCO3)cs1 ZINC001164780938 721444171 /nfs/dbraw/zinc/44/41/71/721444171.db2.gz CZJBHXQHWOJVHR-UZLBHIALSA-N 0 0 468.957 4.509 20 30 JJEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)CC2 ZINC001164785004 721447931 /nfs/dbraw/zinc/44/79/31/721447931.db2.gz GARDCINPABZHHB-UHFFFAOYSA-N 0 0 478.330 4.957 20 30 JJEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)CC2 ZINC001164788600 721447959 /nfs/dbraw/zinc/44/79/59/721447959.db2.gz RRBZOKTUPLTUBR-UHFFFAOYSA-N 0 0 489.910 4.854 20 30 JJEDRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)C2=O)cs1 ZINC001164892767 721460568 /nfs/dbraw/zinc/46/05/68/721460568.db2.gz XXAAORJHFGMOLH-IBGZPJMESA-N 0 0 486.375 4.589 20 30 JJEDRN CN(Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164805021 721592145 /nfs/dbraw/zinc/59/21/45/721592145.db2.gz JYTFYARPGQGWLE-VIZSFHNOSA-N 0 0 468.388 4.676 20 30 JJEDRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC2)Oc2ccccc21 ZINC001164802907 721593255 /nfs/dbraw/zinc/59/32/55/721593255.db2.gz WDMVXCACVUXZPF-GOSISDBHSA-N 0 0 488.966 4.972 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H](c2ccccc2)[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164909133 721741910 /nfs/dbraw/zinc/74/19/10/721741910.db2.gz CEOKRSSQLOBNIB-URXFXBBRSA-N 0 0 479.918 4.574 20 30 JJEDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)C2 ZINC001164909570 721765877 /nfs/dbraw/zinc/76/58/77/721765877.db2.gz CEZLRKMWQYMBFT-UHFFFAOYSA-N 0 0 486.963 4.977 20 30 JJEDRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N(CCC#N)C3CCCC3)c2c1C ZINC001165017749 721835737 /nfs/dbraw/zinc/83/57/37/721835737.db2.gz OYEDDKPVWROQKW-UHFFFAOYSA-N 0 0 455.628 4.825 20 30 JJEDRN COc1cc(C(F)(F)N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)c(C#N)c(Cl)n1 ZINC001164927789 721899690 /nfs/dbraw/zinc/89/96/90/721899690.db2.gz LQTGZOIRONFCKX-UHFFFAOYSA-N 0 0 498.961 4.718 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C[C@H]21 ZINC001164943252 721964499 /nfs/dbraw/zinc/96/44/99/721964499.db2.gz DZNQTBASGYTADI-PKTZIBPZSA-N 0 0 499.949 4.513 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)cnc2Cl)cc1 ZINC001164955978 722035646 /nfs/dbraw/zinc/03/56/46/722035646.db2.gz AKISWEGKSNKBQR-RCZVLFRGSA-N 0 0 493.945 4.746 20 30 JJEDRN N#Cc1ccc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)nc1Cl ZINC001164957338 722049611 /nfs/dbraw/zinc/04/96/11/722049611.db2.gz IUXSHBHLDWATLI-UHFFFAOYSA-N 0 0 465.895 4.640 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)cc2c1Cl ZINC001164959758 722049628 /nfs/dbraw/zinc/04/96/28/722049628.db2.gz RUTRLTBQPYHBKZ-YVEFUNNKSA-N 0 0 477.298 4.902 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)cnc2Cl)c1 ZINC001164958655 722049649 /nfs/dbraw/zinc/04/96/49/722049649.db2.gz PBMSNOYWBDTHJZ-FXAWDEMLSA-N 0 0 468.891 4.762 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164961311 722049863 /nfs/dbraw/zinc/04/98/63/722049863.db2.gz YIMNRFHPQDQBDF-UHFFFAOYSA-N 0 0 465.895 4.640 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)cnc1Cl ZINC001164958626 722049874 /nfs/dbraw/zinc/04/98/74/722049874.db2.gz OWBDFYJUJHNQIF-UHFFFAOYSA-N 0 0 465.895 4.640 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cccn5)c4C3)cnc2Cl)cc1 ZINC001164960458 722051008 /nfs/dbraw/zinc/05/10/08/722051008.db2.gz OJFNNPJCMXSLMO-UHFFFAOYSA-N 0 0 466.879 4.614 20 30 JJEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001164973025 722160829 /nfs/dbraw/zinc/16/08/29/722160829.db2.gz KBQNMTCCBANXOR-UHFFFAOYSA-N 0 0 456.924 4.836 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@]12CN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)CCO2 ZINC001164976127 722169165 /nfs/dbraw/zinc/16/91/65/722169165.db2.gz JTWBBWYLRLKKHP-LVXARBLLSA-N 0 0 470.683 4.872 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@@]12CN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)CCO2 ZINC001164976176 722169661 /nfs/dbraw/zinc/16/96/61/722169661.db2.gz KEIWZGYDTGSRTO-KDYSTLNUSA-N 0 0 478.662 4.998 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@]12CN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)CCO2 ZINC001164976171 722169702 /nfs/dbraw/zinc/16/97/02/722169702.db2.gz KEIWZGYDTGSRTO-IDISGSTGSA-N 0 0 478.662 4.998 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)CCO2 ZINC001164981009 722169914 /nfs/dbraw/zinc/16/99/14/722169914.db2.gz ZVSPGUIALFLAAW-JTSKRJEESA-N 0 0 494.926 4.828 20 30 JJEDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5ccc(C)cc5c(Cl)c4C#N)CC[C@@H]32)cs1 ZINC001164990333 722186804 /nfs/dbraw/zinc/18/68/04/722186804.db2.gz LRAUQVXKLUWIRQ-VXKWHMMOSA-N 0 0 468.026 4.703 20 30 JJEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4c(C#N)c(Cl)nc5ccc(F)c(C)c54)CC[C@@H]32)cs1 ZINC001164993355 722186852 /nfs/dbraw/zinc/18/68/52/722186852.db2.gz YXJFOOVWADTVQJ-LEWJYISDSA-N 0 0 486.016 4.842 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)C2)c1 ZINC001165004656 722259165 /nfs/dbraw/zinc/25/91/65/722259165.db2.gz RBNSZBJAMRNQKR-XMMPIXPASA-N 0 0 483.950 4.823 20 30 JJEDRN CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1ccsc1Br ZINC001359712446 1064260897 /nfs/dbraw/zinc/26/08/97/1064260897.db2.gz RYIHCHFHBKQZHN-UHFFFAOYSA-N 0 0 485.455 4.862 20 30 JJEDRN C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)c1ccccc1 ZINC001545886094 1064303138 /nfs/dbraw/zinc/30/31/38/1064303138.db2.gz QWPTXWMLNRUMGS-QFIPXVFZSA-N 0 0 456.926 4.774 20 30 JJEDRN CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001359739295 1064306433 /nfs/dbraw/zinc/30/64/33/1064306433.db2.gz PQHUHTSQQSFJRN-UHFFFAOYSA-N 0 0 450.974 4.817 20 30 JJEDRN CC(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359739768 1064308433 /nfs/dbraw/zinc/30/84/33/1064308433.db2.gz DZWSLJBEQSKZHP-OAQYLSRUSA-N 0 0 484.526 4.878 20 30 JJEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)cc1 ZINC001434885982 1064318353 /nfs/dbraw/zinc/31/83/53/1064318353.db2.gz LXWZWFKCEQQQBK-UHFFFAOYSA-N 0 0 451.477 4.611 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCOC1 ZINC001434914191 1064340474 /nfs/dbraw/zinc/34/04/74/1064340474.db2.gz AUJPAYSDDFVRAB-RUZDIDTESA-N 0 0 451.523 4.611 20 30 JJEDRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)(C#N)CC1 ZINC001359755492 1064349527 /nfs/dbraw/zinc/34/95/27/1064349527.db2.gz AVDONUHIDPKWCF-ICSRJNTNSA-N 0 0 459.541 4.738 20 30 JJEDRN C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Br)cc(Br)c1 ZINC001434922070 1064350715 /nfs/dbraw/zinc/35/07/15/1064350715.db2.gz WJZPKOOUTJGONM-UHFFFAOYSA-N 0 0 459.141 4.961 20 30 JJEDRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CCC#N)CC1CC1 ZINC001359756448 1064353959 /nfs/dbraw/zinc/35/39/59/1064353959.db2.gz RJZQFWMNAYNYDN-FPOVZHCZSA-N 0 0 472.431 4.899 20 30 JJEDRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001359756461 1064354143 /nfs/dbraw/zinc/35/41/43/1064354143.db2.gz RQSFUGMCMGAGKC-GREBRCKQSA-N 0 0 472.431 4.899 20 30 JJEDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359760754 1064370182 /nfs/dbraw/zinc/37/01/82/1064370182.db2.gz YSOPVIGHSFWLSE-KSPVPNAGSA-N 0 0 473.568 4.517 20 30 JJEDRN COC(=O)[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cc(F)ccc1F ZINC001434960481 1064375831 /nfs/dbraw/zinc/37/58/31/1064375831.db2.gz HYRXBYHHSPQUFT-OAQYLSRUSA-N 0 0 456.832 4.926 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1 ZINC001359763579 1064380333 /nfs/dbraw/zinc/38/03/33/1064380333.db2.gz MCDAIMSHZZHIBS-QPPBQGQZSA-N 0 0 451.615 4.806 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1 ZINC001359763580 1064380382 /nfs/dbraw/zinc/38/03/82/1064380382.db2.gz MCDAIMSHZZHIBS-URXFXBBRSA-N 0 0 451.615 4.806 20 30 JJEDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 ZINC001359764049 1064382379 /nfs/dbraw/zinc/38/23/79/1064382379.db2.gz UITKLIHKSYNJKW-NZQKXSOJSA-N 0 0 469.655 4.512 20 30 JJEDRN CC(C)(C(=O)N1CCN(c2ccccc2C#N)CC1)c1csc(-c2cc(F)ccc2F)n1 ZINC001434975985 1064391369 /nfs/dbraw/zinc/39/13/69/1064391369.db2.gz KTUGFFJRGHSQKF-UHFFFAOYSA-N 0 0 452.530 4.586 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC001434976524 1064392224 /nfs/dbraw/zinc/39/22/24/1064392224.db2.gz WDJKZHFZJWBJLU-HXUWFJFHSA-N 0 0 455.514 4.968 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC001434983888 1064400425 /nfs/dbraw/zinc/40/04/25/1064400425.db2.gz JOXNDXMDNXQWET-XMMPIXPASA-N 0 0 455.583 4.673 20 30 JJEDRN CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001434993802 1064409202 /nfs/dbraw/zinc/40/92/02/1064409202.db2.gz OZJSGIZXXKLKRU-QGZVFWFLSA-N 0 0 456.356 4.524 20 30 JJEDRN CC(C)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001359773221 1064410887 /nfs/dbraw/zinc/41/08/87/1064410887.db2.gz IDXVXWHPRWWRGO-OAQYLSRUSA-N 0 0 464.614 4.746 20 30 JJEDRN CC(C)CC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001359774209 1064414680 /nfs/dbraw/zinc/41/46/80/1064414680.db2.gz LIBXHYZGSOHLNS-UQBPGWFLSA-N 0 0 474.625 4.661 20 30 JJEDRN CC(C)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001359774472 1064415149 /nfs/dbraw/zinc/41/51/49/1064415149.db2.gz UDJBZJIBEMWSCY-UHFFFAOYSA-N 0 0 494.640 4.612 20 30 JJEDRN C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(Br)cn(C3CC3)c2=O)c1 ZINC001435004888 1064419663 /nfs/dbraw/zinc/41/96/63/1064419663.db2.gz LQZBSBYTJUVAPN-UHFFFAOYSA-N 0 0 453.361 4.836 20 30 JJEDRN C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1 ZINC001435006135 1064421099 /nfs/dbraw/zinc/42/10/99/1064421099.db2.gz YGWHCCSYUBRZQZ-UHFFFAOYSA-N 0 0 452.601 4.605 20 30 JJEDRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC001435008751 1064424633 /nfs/dbraw/zinc/42/46/33/1064424633.db2.gz MRKOMLHBEQZKAW-XMMPIXPASA-N 0 0 459.521 4.742 20 30 JJEDRN COc1ccc(-n2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)nn2)cc1 ZINC001435012621 1064428730 /nfs/dbraw/zinc/42/87/30/1064428730.db2.gz GHBKUSLBUZJSOA-UHFFFAOYSA-N 0 0 459.893 4.632 20 30 JJEDRN CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359780631 1064430638 /nfs/dbraw/zinc/43/06/38/1064430638.db2.gz CXTYXKZUSBOXTM-QFIPXVFZSA-N 0 0 466.630 4.632 20 30 JJEDRN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CO1 ZINC001435023089 1064441355 /nfs/dbraw/zinc/44/13/55/1064441355.db2.gz CVVNOHWASDSBMW-REWPJTCUSA-N 0 0 450.535 4.603 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCc2c1cccc2Br ZINC001435029508 1064447311 /nfs/dbraw/zinc/44/73/11/1064447311.db2.gz QTTJTRBVCWVTGO-ZWKOTPCHSA-N 0 0 450.377 4.530 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(NC(=O)OCc2ccccc2)CC1 ZINC001359797629 1064459788 /nfs/dbraw/zinc/45/97/88/1064459788.db2.gz KHPNEAGCJXAIMU-UHFFFAOYSA-N 0 0 455.514 4.843 20 30 JJEDRN COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)nc1Br ZINC001359797714 1064460738 /nfs/dbraw/zinc/46/07/38/1064460738.db2.gz LWNPQMSODGWWCT-UHFFFAOYSA-N 0 0 452.308 4.864 20 30 JJEDRN C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 ZINC001359803338 1064472854 /nfs/dbraw/zinc/47/28/54/1064472854.db2.gz HEQVPKLPZXSPKU-HXUWFJFHSA-N 0 0 459.949 4.800 20 30 JJEDRN COC(=O)c1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(OC(F)F)c1 ZINC001435067901 1064488326 /nfs/dbraw/zinc/48/83/26/1064488326.db2.gz ZTFUCQLYGQNNRA-UHFFFAOYSA-N 0 0 452.413 4.778 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359817977 1064501034 /nfs/dbraw/zinc/50/10/34/1064501034.db2.gz QAUPODKXPHVRML-NVQXNPDNSA-N 0 0 465.642 4.847 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359817975 1064501154 /nfs/dbraw/zinc/50/11/54/1064501154.db2.gz QAUPODKXPHVRML-BKMJKUGQSA-N 0 0 465.642 4.847 20 30 JJEDRN N#Cc1ccc(OCC(=O)N[C@H](COc2ccccc2)c2ccccc2)cc1Br ZINC001435092282 1064509597 /nfs/dbraw/zinc/50/95/97/1064509597.db2.gz RZKIHFOZIUCIGA-JOCHJYFZSA-N 0 0 451.320 4.636 20 30 JJEDRN N#Cc1ccc(OCC(=O)N[C@@H](COc2ccccc2)c2ccccc2)cc1Br ZINC001435092283 1064509647 /nfs/dbraw/zinc/50/96/47/1064509647.db2.gz RZKIHFOZIUCIGA-QFIPXVFZSA-N 0 0 451.320 4.636 20 30 JJEDRN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)OCc1ccccc1 ZINC001435109089 1064518979 /nfs/dbraw/zinc/51/89/79/1064518979.db2.gz PMOHGSPKVSTGLP-UHFFFAOYSA-N 0 0 451.470 4.918 20 30 JJEDRN C=CCc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc(OC)c1OC ZINC001435128552 1064534459 /nfs/dbraw/zinc/53/44/59/1064534459.db2.gz SBFGUPBGDAJWMS-UHFFFAOYSA-N 0 0 452.551 4.978 20 30 JJEDRN CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359859581 1064547666 /nfs/dbraw/zinc/54/76/66/1064547666.db2.gz ABKUTRRWXDYRBE-FCHUYYIVSA-N 0 0 474.575 4.964 20 30 JJEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)c1 ZINC001435149927 1064549759 /nfs/dbraw/zinc/54/97/59/1064549759.db2.gz LLTPRNSXZLWCLU-QFIPXVFZSA-N 0 0 458.949 4.692 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)s1 ZINC001359862997 1064553371 /nfs/dbraw/zinc/55/33/71/1064553371.db2.gz CAQJUKSFOOWPLQ-UHFFFAOYSA-N 0 0 451.422 4.534 20 30 JJEDRN CC(C)Cc1nnc(N2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001359875823 1064566029 /nfs/dbraw/zinc/56/60/29/1064566029.db2.gz OGRLSFUZTWJSBY-GGAORHGYSA-N 0 0 478.641 4.620 20 30 JJEDRN COC(=O)[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cc(F)ccc1F ZINC001359877296 1064567275 /nfs/dbraw/zinc/56/72/75/1064567275.db2.gz HKWAHWZOYIOAGS-NRFANRHFSA-N 0 0 456.832 4.926 20 30 JJEDRN C#CCN(C(=O)c1ccc(OC2CCCC2)nc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435173934 1064567634 /nfs/dbraw/zinc/56/76/34/1064567634.db2.gz BOQDSAJERYJGHK-HXUWFJFHSA-N 0 0 455.352 4.765 20 30 JJEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCCNC(=O)c2ccc(F)cc2)c1 ZINC001435177900 1064571033 /nfs/dbraw/zinc/57/10/33/1064571033.db2.gz KGUAMFDEKRZELL-UHFFFAOYSA-N 0 0 451.885 4.693 20 30 JJEDRN CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2Cl)C1 ZINC001359880662 1064573880 /nfs/dbraw/zinc/57/38/80/1064573880.db2.gz IDFNURBSLOAMFY-LJQANCHMSA-N 0 0 450.974 4.817 20 30 JJEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001435206013 1064591249 /nfs/dbraw/zinc/59/12/49/1064591249.db2.gz JNFXKRPWJRJASM-UHFFFAOYSA-N 0 0 456.262 4.566 20 30 JJEDRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001359891258 1064591538 /nfs/dbraw/zinc/59/15/38/1064591538.db2.gz PPDUZRVFDDGSHR-URXFXBBRSA-N 0 0 457.569 4.876 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001359893559 1064594637 /nfs/dbraw/zinc/59/46/37/1064594637.db2.gz HDDGWTDWSYLHLV-CLJLJLNGSA-N 0 0 462.598 4.917 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001359893561 1064594737 /nfs/dbraw/zinc/59/47/37/1064594737.db2.gz HDDGWTDWSYLHLV-IZZNHLLZSA-N 0 0 462.598 4.917 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001359894110 1064595178 /nfs/dbraw/zinc/59/51/78/1064595178.db2.gz KRSVTHWDQLSTEK-RUZDIDTESA-N 0 0 471.049 4.584 20 30 JJEDRN CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001359898796 1064603983 /nfs/dbraw/zinc/60/39/83/1064603983.db2.gz CSLCZDYZESSKLD-IBVKSMDESA-N 0 0 453.631 4.788 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001359898797 1064604046 /nfs/dbraw/zinc/60/40/46/1064604046.db2.gz CSLCZDYZESSKLD-RXFWQSSRSA-N 0 0 453.631 4.788 20 30 JJEDRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001435235733 1064615912 /nfs/dbraw/zinc/61/59/12/1064615912.db2.gz FPYDEBYLIZEZRG-UHFFFAOYSA-N 0 0 458.539 4.959 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)Nc3cc(F)ccc3SCC(F)F)CC2=O)cc1Cl ZINC001435253976 1064631108 /nfs/dbraw/zinc/63/11/08/1064631108.db2.gz BWWZIKSSTIQMRA-GFCCVEGCSA-N 0 0 453.873 4.700 20 30 JJEDRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001435264307 1064640986 /nfs/dbraw/zinc/64/09/86/1064640986.db2.gz IJICZFSQBHSEEW-OAHLLOKOSA-N 0 0 457.515 4.655 20 30 JJEDRN CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359921463 1064647948 /nfs/dbraw/zinc/64/79/48/1064647948.db2.gz JECQWKAEHNDPBD-QFIPXVFZSA-N 0 0 496.656 4.858 20 30 JJEDRN C#CCOc1cccc(OC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 ZINC001359925985 1064657363 /nfs/dbraw/zinc/65/73/63/1064657363.db2.gz YGWZJGJBOALQFW-UHFFFAOYSA-N 0 0 459.502 4.783 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)cc1F ZINC001359926320 1064657888 /nfs/dbraw/zinc/65/78/88/1064657888.db2.gz KEGWFHABNLLHDD-UHFFFAOYSA-N 0 0 469.952 4.532 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1c1cnn(C)c1 ZINC001359926169 1064657965 /nfs/dbraw/zinc/65/79/65/1064657965.db2.gz FAWZJUDJEMOBEI-JOCHJYFZSA-N 0 0 481.048 4.767 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)c1ccsc1 ZINC001359926456 1064658806 /nfs/dbraw/zinc/65/88/06/1064658806.db2.gz PBOJCWVFQUWCHL-NRFANRHFSA-N 0 0 491.459 4.771 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1CCOC(C)(C)C ZINC001359926537 1064659382 /nfs/dbraw/zinc/65/93/82/1064659382.db2.gz RQVWKJRLIBYXAA-UHFFFAOYSA-N 0 0 465.440 4.627 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)COCC2 ZINC001359926673 1064660593 /nfs/dbraw/zinc/66/05/93/1064660593.db2.gz XNXOGYAUVNZTGK-UHFFFAOYSA-N 0 0 497.441 4.923 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359927049 1064661897 /nfs/dbraw/zinc/66/18/97/1064661897.db2.gz LWGOPIPIAPGTDF-IRLDBZIGSA-N 0 0 481.645 4.752 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359927050 1064661924 /nfs/dbraw/zinc/66/19/24/1064661924.db2.gz LWGOPIPIAPGTDF-RBBKRZOGSA-N 0 0 481.645 4.752 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CCc1nccc(C(F)(F)F)n1 ZINC001359927088 1064662580 /nfs/dbraw/zinc/66/25/80/1064662580.db2.gz NKHVEABWPGOYPA-UHFFFAOYSA-N 0 0 482.514 4.634 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)NCC(F)(F)F ZINC001359927321 1064663066 /nfs/dbraw/zinc/66/30/66/1064663066.db2.gz UXSMZHVYGFYSNO-MRXNPFEDSA-N 0 0 496.603 4.576 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc3ccccc3o2)n1CC1([S@@](C)=O)CCC1 ZINC001359927408 1064664074 /nfs/dbraw/zinc/66/40/74/1064664074.db2.gz XUCBFLQNPJTDLF-JGCGQSQUSA-N 0 0 453.612 4.759 20 30 JJEDRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001359928687 1064664711 /nfs/dbraw/zinc/66/47/11/1064664711.db2.gz LFPAVCPSVVZXRR-KDOFPFPSSA-N 0 0 452.530 4.972 20 30 JJEDRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001359928689 1064664741 /nfs/dbraw/zinc/66/47/41/1064664741.db2.gz LFPAVCPSVVZXRR-RDTXWAMCSA-N 0 0 452.530 4.972 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccc(O)c1 ZINC001359929213 1064665487 /nfs/dbraw/zinc/66/54/87/1064665487.db2.gz AKVXLBWTJBGLLE-UHFFFAOYSA-N 0 0 496.656 4.913 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359929274 1064665517 /nfs/dbraw/zinc/66/55/17/1064665517.db2.gz BIQYEJCLFUSKPW-IBGZPJMESA-N 0 0 465.520 4.885 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)C(C)C ZINC001359929313 1064666383 /nfs/dbraw/zinc/66/63/83/1064666383.db2.gz BWYYGAICQOLVPG-HFZDXXHNSA-N 0 0 490.693 4.566 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359929811 1064666972 /nfs/dbraw/zinc/66/69/72/1064666972.db2.gz OQWRXUPUSNYNGB-ZJSXRUAMSA-N 0 0 452.647 4.871 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001359929908 1064668008 /nfs/dbraw/zinc/66/80/08/1064668008.db2.gz QYTLBGVNZIYIEM-BKMJKUGQSA-N 0 0 469.605 4.502 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1Cc1cc(Br)cs1 ZINC001359930130 1064668436 /nfs/dbraw/zinc/66/84/36/1064668436.db2.gz YFITYIMKZHFVKC-UHFFFAOYSA-N 0 0 473.444 4.902 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCc2ccccc21 ZINC001359930347 1064668504 /nfs/dbraw/zinc/66/85/04/1064668504.db2.gz DQRMRFBAUIPPFJ-FAHANXHHSA-N 0 0 479.669 4.797 20 30 JJEDRN C#CC[C@]1(C(=O)N[C@H](CC)Cc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001435302126 1064676972 /nfs/dbraw/zinc/67/69/72/1064676972.db2.gz QFRBKPDOGHKBCO-WZONZLPQSA-N 0 0 452.517 4.936 20 30 JJEDRN C=CCn1c(SCC(=O)NC[C@H](C)Oc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 ZINC001435304575 1064679352 /nfs/dbraw/zinc/67/93/52/1064679352.db2.gz QFGHXKUZDZADHG-KRWDZBQOSA-N 0 0 456.999 4.769 20 30 JJEDRN CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001359944450 1064691722 /nfs/dbraw/zinc/69/17/22/1064691722.db2.gz TYIJEMGCTRKOCY-GCJKJVERSA-N 0 0 451.596 4.803 20 30 JJEDRN COCCN(CC(F)F)C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 ZINC001359950462 1064704693 /nfs/dbraw/zinc/70/46/93/1064704693.db2.gz IFSKQECRPJZOKT-GWJIENBWSA-N 0 0 451.398 4.849 20 30 JJEDRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001359952112 1064713562 /nfs/dbraw/zinc/71/35/62/1064713562.db2.gz MZSNDBBQPBVADA-UHFFFAOYSA-N 0 0 494.684 4.611 20 30 JJEDRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)n1 ZINC001435349538 1064716137 /nfs/dbraw/zinc/71/61/37/1064716137.db2.gz NOEPVTUQQYOKKE-KRWDZBQOSA-N 0 0 454.486 4.687 20 30 JJEDRN CC(C)CCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001359954157 1064718575 /nfs/dbraw/zinc/71/85/75/1064718575.db2.gz FBJJTWAAOFBATA-ILBGXUMGSA-N 0 0 465.642 4.909 20 30 JJEDRN CC(C)CCOc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(C)C)cc1 ZINC001359954303 1064719373 /nfs/dbraw/zinc/71/93/73/1064719373.db2.gz FKZAWNAPROLPIU-UHFFFAOYSA-N 0 0 473.625 4.619 20 30 JJEDRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC001435356952 1064721156 /nfs/dbraw/zinc/72/11/56/1064721156.db2.gz KTXKDKQLVXLOED-UHFFFAOYSA-N 0 0 456.889 4.893 20 30 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CC1(C#N)CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001360788882 1065903761 /nfs/dbraw/zinc/90/37/61/1065903761.db2.gz IAIDQRXFXOKTLO-UHFFFAOYSA-N 0 0 475.906 4.780 20 30 JJEDRN CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2Cc2cc(Br)cs2)CC1 ZINC001360791090 1065905561 /nfs/dbraw/zinc/90/55/61/1065905561.db2.gz OZUHWSXAHZMPTO-UHFFFAOYSA-N 0 0 462.442 4.933 20 30 JJEDRN CC(C)(C)OC(=O)N1CC=C(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001360791291 1065905946 /nfs/dbraw/zinc/90/59/46/1065905946.db2.gz SZMAUHBPPLJJCL-UHFFFAOYSA-N 0 0 494.615 4.705 20 30 JJEDRN CC1(C#N)CCN(c2nnc(C3CCCC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001360791299 1065906011 /nfs/dbraw/zinc/90/60/11/1065906011.db2.gz TXMQEXMNVARSEF-UHFFFAOYSA-N 0 0 462.520 4.645 20 30 JJEDRN CC(C)(C)OC(=O)N1CC=C(Cn2c(Cc3ccsc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001360791269 1065906046 /nfs/dbraw/zinc/90/60/46/1065906046.db2.gz SOIUGYHVZHKWTC-UHFFFAOYSA-N 0 0 482.654 4.628 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N2CC[C@@H](CCOC)c3ccccc32)nnc1-c1ccco1 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HLLLXWLNCJCJDT-JXHCQPQMSA-N 0 0 457.571 4.599 20 30 JJEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2 ZINC001441202184 1066014974 /nfs/dbraw/zinc/01/49/74/1066014974.db2.gz ZAZJRYLYMVIKPP-UHFFFAOYSA-N 0 0 457.486 4.817 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)F ZINC001441207310 1066015444 /nfs/dbraw/zinc/01/54/44/1066015444.db2.gz QVFPHGIHRYLRNM-VPOLOUISSA-N 0 0 456.374 4.561 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccncc2Cl)c1C ZINC001360875217 1066017327 /nfs/dbraw/zinc/01/73/27/1066017327.db2.gz XSNRZCLTOOZAQA-UZUQRXQVSA-N 0 0 454.937 4.574 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccncc2Cl)c1C ZINC001360875215 1066017441 /nfs/dbraw/zinc/01/74/41/1066017441.db2.gz XSNRZCLTOOZAQA-HXOBKFHXSA-N 0 0 454.937 4.574 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)c1C ZINC001360875872 1066020149 /nfs/dbraw/zinc/02/01/49/1066020149.db2.gz ZZRBGLQNMZGUON-NYULUDCUSA-N 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Cc1nc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)sc1C ZINC001360900965 1066054313 /nfs/dbraw/zinc/05/43/13/1066054313.db2.gz AOCUTNUYVILFCV-HJPURHCSSA-N 0 0 454.575 4.809 20 30 JJEDRN Cc1ccc(NC(=O)N2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)cc1Cl ZINC001441617652 1066054653 /nfs/dbraw/zinc/05/46/53/1066054653.db2.gz YRUZCXDFDIUNKC-UHFFFAOYSA-N 0 0 451.741 4.817 20 30 JJEDRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC001360901927 1066055823 /nfs/dbraw/zinc/05/58/23/1066055823.db2.gz GDEZAMUKYADUSF-SFHVURJKSA-N 0 0 452.498 4.534 20 30 JJEDRN Cc1nc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H](C)C#N)sc1C ZINC001360905562 1066059794 /nfs/dbraw/zinc/05/97/94/1066059794.db2.gz UFMMTGRFRMQODT-INIZCTEOSA-N 0 0 452.628 4.872 20 30 JJEDRN Cc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)sc1C ZINC001360905536 1066059801 /nfs/dbraw/zinc/05/98/01/1066059801.db2.gz TTZAWPWEGJQJHU-KRWDZBQOSA-N 0 0 476.528 4.629 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC001441732731 1066065141 /nfs/dbraw/zinc/06/51/41/1066065141.db2.gz LYPRBUYVKIFYNS-CQSZACIVSA-N 0 0 455.005 4.805 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(C#N)CC2)n1CCCOCC(F)F ZINC001360910315 1066066031 /nfs/dbraw/zinc/06/60/31/1066066031.db2.gz CDJGZSQDSHMUBY-UHFFFAOYSA-N 0 0 472.565 4.789 20 30 JJEDRN COc1cc(CN(C)C(=O)c2ccc(COc3ccccc3C#N)o2)c(SC)cc1OC ZINC001360913970 1066070620 /nfs/dbraw/zinc/07/06/20/1066070620.db2.gz NRAVFZHTZCFYNN-UHFFFAOYSA-N 0 0 452.532 4.742 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC001360915247 1066071397 /nfs/dbraw/zinc/07/13/97/1066071397.db2.gz BHIBFIKAVAMCEW-UHFFFAOYSA-N 0 0 459.384 4.843 20 30 JJEDRN C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(Oc2ccccc2)c(F)c1 ZINC001441820711 1066073700 /nfs/dbraw/zinc/07/37/00/1066073700.db2.gz XIQUDBCAJHVYCW-OAHLLOKOSA-N 0 0 456.470 4.545 20 30 JJEDRN Cc1ccsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001360919936 1066075456 /nfs/dbraw/zinc/07/54/56/1066075456.db2.gz GKNGFAIRGNUHQF-QGZVFWFLSA-N 0 0 474.556 4.502 20 30 JJEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC001441944650 1066082193 /nfs/dbraw/zinc/08/21/93/1066082193.db2.gz CZYVTCPXBVBCOD-UHFFFAOYSA-N 0 0 450.560 4.633 20 30 JJEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 ZINC001441952803 1066082744 /nfs/dbraw/zinc/08/27/44/1066082744.db2.gz ZOVXBWDSRDOYAC-UHFFFAOYSA-N 0 0 450.579 4.532 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001360935276 1066094685 /nfs/dbraw/zinc/09/46/85/1066094685.db2.gz ZVVRCWPEOCTVJM-LAUBAEHRSA-N 0 0 450.612 4.813 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@H]1CCCC[C@H]1C ZINC001360935277 1066094798 /nfs/dbraw/zinc/09/47/98/1066094798.db2.gz ZVVRCWPEOCTVJM-UTKZUKDTSA-N 0 0 450.612 4.813 20 30 JJEDRN Cc1c(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CCC(C)C)oc2ccccc12 ZINC001360952791 1066109640 /nfs/dbraw/zinc/10/96/40/1066109640.db2.gz CCRBGNBOZBBVSP-UHFFFAOYSA-N 0 0 471.565 4.795 20 30 JJEDRN Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CC(F)(F)C2)cnn1CC(C)C ZINC001360960533 1066119673 /nfs/dbraw/zinc/11/96/73/1066119673.db2.gz PJVNEDDMWIIWMC-UHFFFAOYSA-N 0 0 453.541 4.508 20 30 JJEDRN Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(Cl)=C(Cl)C2)cnn1CC(C)C ZINC001360960727 1066120105 /nfs/dbraw/zinc/12/01/05/1066120105.db2.gz XEYPHHBQZWKDIS-UHFFFAOYSA-N 0 0 470.408 4.925 20 30 JJEDRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)cnn1CC(C)C ZINC001360971691 1066127461 /nfs/dbraw/zinc/12/74/61/1066127461.db2.gz GKTOZXSPKJHVFL-DEOSSOPVSA-N 0 0 475.641 4.526 20 30 JJEDRN Cc1ccoc1Cn1c(COc2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001360976083 1066131672 /nfs/dbraw/zinc/13/16/72/1066131672.db2.gz BRZSBFVNPMFPRI-UHFFFAOYSA-N 0 0 459.472 4.847 20 30 JJEDRN Cc1ccsc1Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N ZINC001360976723 1066132737 /nfs/dbraw/zinc/13/27/37/1066132737.db2.gz QGHMBGAUNJJCOA-CQSZACIVSA-N 0 0 460.401 4.634 20 30 JJEDRN C=CCc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)cc(OC)c1OC ZINC001442528130 1066133644 /nfs/dbraw/zinc/13/36/44/1066133644.db2.gz UQVHHDACCYEQGX-QFIPXVFZSA-N 0 0 454.567 4.623 20 30 JJEDRN Cc1c(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)cnn1CC(C)C ZINC001360977445 1066134751 /nfs/dbraw/zinc/13/47/51/1066134751.db2.gz QQXCFQJDELWAPX-INIZCTEOSA-N 0 0 490.439 4.969 20 30 JJEDRN Cc1nnsc1Cn1c(CSc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 ZINC001360977682 1066135785 /nfs/dbraw/zinc/13/57/85/1066135785.db2.gz YUVPCRIGIJPEGS-UHFFFAOYSA-N 0 0 460.032 4.562 20 30 JJEDRN Cc1ccsc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001360978651 1066136716 /nfs/dbraw/zinc/13/67/16/1066136716.db2.gz BILJGOFODPTNEC-RHGYRFJNSA-N 0 0 470.643 4.597 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001442552276 1066136970 /nfs/dbraw/zinc/13/69/70/1066136970.db2.gz XXIZDRXIKWWISF-NHCUHLMSSA-N 0 0 450.539 4.607 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)CC1 ZINC001442556895 1066137875 /nfs/dbraw/zinc/13/78/75/1066137875.db2.gz FXAFCSJJGAKDBE-UHFFFAOYSA-N 0 0 458.562 4.674 20 30 JJEDRN C=CC1(CC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)CN(C(=O)OC(C)(C)C)C1 ZINC001442611348 1066144995 /nfs/dbraw/zinc/14/49/95/1066144995.db2.gz QPHURTZYGWYCCC-IBGZPJMESA-N 0 0 455.599 4.761 20 30 JJEDRN N#CCCCn1cc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)c2ccccc21 ZINC001442669890 1066149905 /nfs/dbraw/zinc/14/99/05/1066149905.db2.gz SYFZTTIIBGADRB-QFIPXVFZSA-N 0 0 452.352 4.921 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N(C)C)nc1 ZINC001360986350 1066151430 /nfs/dbraw/zinc/15/14/30/1066151430.db2.gz BHQHMNOMSZWNFI-LPHOPBHVSA-N 0 0 482.032 4.794 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCc2nccn2C1 ZINC001360986703 1066154359 /nfs/dbraw/zinc/15/43/59/1066154359.db2.gz JZGLGEVSQKOEJM-PWIZWCRZSA-N 0 0 482.032 4.743 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1([S@](C)=O)CCC1 ZINC001360989201 1066159818 /nfs/dbraw/zinc/15/98/18/1066159818.db2.gz AQIKGMKXJXNSDQ-GDTDKIKOSA-N 0 0 490.073 4.730 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCOC1 ZINC001360989342 1066160654 /nfs/dbraw/zinc/16/06/54/1066160654.db2.gz CTHPXFVSUXXJJJ-ICSRJNTNSA-N 0 0 458.006 4.855 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001360990254 1066167034 /nfs/dbraw/zinc/16/70/34/1066167034.db2.gz RSKOOBDESSRSOF-QLVMHMETSA-N 0 0 483.922 4.555 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cn[nH]c1 ZINC001360990496 1066167993 /nfs/dbraw/zinc/16/79/93/1066167993.db2.gz WKFQBBHKCKODDI-KOSHJBKYSA-N 0 0 468.005 4.784 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)c(C)o1 ZINC001361003673 1066181476 /nfs/dbraw/zinc/18/14/76/1066181476.db2.gz YYWLUDUGOAOLJH-CLYVBNDRSA-N 0 0 477.609 4.719 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)c2)nc1 ZINC001361005251 1066183532 /nfs/dbraw/zinc/18/35/32/1066183532.db2.gz GJTCYHNZIUBUPE-UHFFFAOYSA-N 0 0 459.483 4.565 20 30 JJEDRN COc1cc(COCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)ccn1 ZINC001361006438 1066184641 /nfs/dbraw/zinc/18/46/41/1066184641.db2.gz PZVXQRASZKZCIB-UHFFFAOYSA-N 0 0 457.408 4.928 20 30 JJEDRN Cc1cccc([C@H](C)Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361007358 1066186445 /nfs/dbraw/zinc/18/64/45/1066186445.db2.gz JCMRCRRZTIMRLI-RLWLMLJZSA-N 0 0 451.615 4.561 20 30 JJEDRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001361009212 1066191632 /nfs/dbraw/zinc/19/16/32/1066191632.db2.gz GZRRKHUUJDEGEV-UHFFFAOYSA-N 0 0 455.470 4.740 20 30 JJEDRN Cc1cc(I)cc(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c1 ZINC001361010653 1066193293 /nfs/dbraw/zinc/19/32/93/1066193293.db2.gz YRJFYMZXJWJNAW-UHFFFAOYSA-N 0 0 455.255 4.911 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccccc2OCc2ccccc2)c1C ZINC001361016859 1066204995 /nfs/dbraw/zinc/20/49/95/1066204995.db2.gz WRNJMOJYVUYKMI-UHFFFAOYSA-N 0 0 452.514 4.957 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361024071 1066221263 /nfs/dbraw/zinc/22/12/63/1066221263.db2.gz HCDNMNGTWGHFNX-AREMUKBSSA-N 0 0 451.615 4.545 20 30 JJEDRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)O1 ZINC001546056171 1066222759 /nfs/dbraw/zinc/22/27/59/1066222759.db2.gz BXCVJVAOVXQFGY-RDPSFJRHSA-N 0 0 451.596 4.774 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC(C)(C#N)CC2)O1 ZINC001546056197 1066222793 /nfs/dbraw/zinc/22/27/93/1066222793.db2.gz CEXJAHOACAUTDK-ATIYNZHBSA-N 0 0 451.615 4.550 20 30 JJEDRN COc1ccc(-c2nc(CCNC(=O)c3cccc(OCc4ccccc4C#N)c3)co2)cc1 ZINC001442818949 1066227017 /nfs/dbraw/zinc/22/70/17/1066227017.db2.gz UCLIEMUBFZKUNY-UHFFFAOYSA-N 0 0 453.498 4.773 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)c(C)c3)n[nH]2)c1C ZINC001453977016 1066228348 /nfs/dbraw/zinc/22/83/48/1066228348.db2.gz FSXCTJMUEZPGQJ-UHFFFAOYSA-N 0 0 450.543 4.984 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)O1 ZINC001546056951 1066230694 /nfs/dbraw/zinc/23/06/94/1066230694.db2.gz LVNVBKYTGKZYBP-MFSJNOQSSA-N 0 0 459.541 4.558 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361027858 1066231004 /nfs/dbraw/zinc/23/10/04/1066231004.db2.gz FTNDJLLMDRZCQZ-NHCUHLMSSA-N 0 0 451.615 4.808 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361028082 1066231923 /nfs/dbraw/zinc/23/19/23/1066231923.db2.gz GFNLFHDCYXQBLX-JOCHJYFZSA-N 0 0 494.640 4.613 20 30 JJEDRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001442869071 1066234626 /nfs/dbraw/zinc/23/46/26/1066234626.db2.gz JRGOGZNQKFPWNI-UHFFFAOYSA-N 0 0 451.530 4.925 20 30 JJEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(-c3cccnc3)nn2CCO)c1 ZINC001454120523 1066247947 /nfs/dbraw/zinc/24/79/47/1066247947.db2.gz SWGYQYIRFSILHQ-UHFFFAOYSA-N 0 0 459.893 4.507 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCC(C(F)(F)F)CC2)c1 ZINC001361035750 1066254605 /nfs/dbraw/zinc/25/46/05/1066254605.db2.gz MJRVFVZKNVEUIJ-GRERDSQWSA-N 0 0 477.531 4.571 20 30 JJEDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC001454242940 1066256843 /nfs/dbraw/zinc/25/68/43/1066256843.db2.gz UTCNZJKCANNGAF-UHFFFAOYSA-N 0 0 450.539 4.758 20 30 JJEDRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 ZINC001454246189 1066257494 /nfs/dbraw/zinc/25/74/94/1066257494.db2.gz LVSIZJMYVFBQSV-OAHLLOKOSA-N 0 0 452.967 4.811 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1(F)F ZINC001443043274 1066257592 /nfs/dbraw/zinc/25/75/92/1066257592.db2.gz BSQUOOYJEXXZRD-YLJYHZDGSA-N 0 0 475.467 4.621 20 30 JJEDRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC001443047431 1066258161 /nfs/dbraw/zinc/25/81/61/1066258161.db2.gz SSFFEKDCWPOSHF-FQEVSTJZSA-N 0 0 457.578 4.692 20 30 JJEDRN Cc1cc(C)cc(OCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@@H](C)C#N)c1 ZINC001361041629 1066264095 /nfs/dbraw/zinc/26/40/95/1066264095.db2.gz FDAMKZNENKFZKR-FCHUYYIVSA-N 0 0 496.656 4.684 20 30 JJEDRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545954765 1066273892 /nfs/dbraw/zinc/27/38/92/1066273892.db2.gz KEKYJPJVILBMAY-NRSPTQNISA-N 0 0 454.619 4.719 20 30 JJEDRN N#Cc1cccc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1Br ZINC001443169874 1066277461 /nfs/dbraw/zinc/27/74/61/1066277461.db2.gz SCKDSHCAWCZZRI-GOSISDBHSA-N 0 0 458.743 4.562 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2cccc(Br)c2)C1 ZINC001454403346 1066278457 /nfs/dbraw/zinc/27/84/57/1066278457.db2.gz QWSCNFIMYPZWRF-IBGZPJMESA-N 0 0 451.405 4.700 20 30 JJEDRN CCOc1ccc(N(CCC#N)C(=O)c2ccc(I)c(Cl)c2)cc1 ZINC001443256286 1066285019 /nfs/dbraw/zinc/28/50/19/1066285019.db2.gz WUKQTQSQMITHPV-UHFFFAOYSA-N 0 0 454.695 4.904 20 30 JJEDRN N#C[C@H](NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(Cl)cc1 ZINC001443365901 1066302275 /nfs/dbraw/zinc/30/22/75/1066302275.db2.gz VIWZLGBIMMTWEK-HNNXBMFYSA-N 0 0 458.996 4.543 20 30 JJEDRN CCCC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1ccc(OC)cc1 ZINC001443404271 1066306147 /nfs/dbraw/zinc/30/61/47/1066306147.db2.gz BXZJKYIRPYPTQU-QXIMFVGCSA-N 0 0 455.599 4.830 20 30 JJEDRN Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cs1 ZINC001361071752 1066311962 /nfs/dbraw/zinc/31/19/62/1066311962.db2.gz OAJDQVBXKJVGMD-UHFFFAOYSA-N 0 0 459.497 4.583 20 30 JJEDRN CCOC(=O)c1csc(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1 ZINC001443445742 1066312448 /nfs/dbraw/zinc/31/24/48/1066312448.db2.gz AINNEYCAUWFVQS-UHFFFAOYSA-N 0 0 458.355 4.539 20 30 JJEDRN CON=Cc1ccc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1 ZINC001443483652 1066316587 /nfs/dbraw/zinc/31/65/87/1066316587.db2.gz RKUHKACHJWZNFX-UHFFFAOYSA-N 0 0 456.315 4.806 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(O)ccc2C)c1 ZINC001454712134 1066324308 /nfs/dbraw/zinc/32/43/08/1066324308.db2.gz KZMAPLJUFOSSQX-UHFFFAOYSA-N 0 0 456.951 4.988 20 30 JJEDRN COc1ccc([C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 ZINC001361088044 1066329048 /nfs/dbraw/zinc/32/90/48/1066329048.db2.gz JDVFXUFTBIMNLK-YADHBBJMSA-N 0 0 455.530 4.627 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001361088517 1066331431 /nfs/dbraw/zinc/33/14/31/1066331431.db2.gz IXPDNFHQHJGGBO-DFIYOIEZSA-N 0 0 490.023 4.899 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001361088526 1066331598 /nfs/dbraw/zinc/33/15/98/1066331598.db2.gz IXPDNFHQHJGGBO-RNHFSVANSA-N 0 0 490.023 4.899 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCCO1 ZINC001361089440 1066335920 /nfs/dbraw/zinc/33/59/20/1066335920.db2.gz UPSQGEOEEHZQPB-PXDATVDWSA-N 0 0 472.033 4.951 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC1=CCCCC1 ZINC001361091838 1066342100 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JJEDRN C=C(C)Cn1c(SCC(=O)N2CCc3ccc(Br)cc32)nnc1-c1ccco1 ZINC001456185678 1066532513 /nfs/dbraw/zinc/53/25/13/1066532513.db2.gz COSKDCGPVQKWDU-UHFFFAOYSA-N 0 0 459.369 4.558 20 30 JJEDRN CC[C@H](C)[C@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456199175 1066535696 /nfs/dbraw/zinc/53/56/96/1066535696.db2.gz CHOKHEJCCRXLEM-MMTVBGGISA-N 0 0 459.634 4.730 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@H]3CCCC[C@H]32)c1 ZINC001445111635 1066539696 /nfs/dbraw/zinc/53/96/96/1066539696.db2.gz POKBQYLBQMFKAV-IRLDBZIGSA-N 0 0 451.617 4.789 20 30 JJEDRN Cc1ccc(-n2nc(CCCNC(=O)c3cc4c(Cl)cccc4nc3C)c(C#N)c2N)cc1 ZINC001445148079 1066540790 /nfs/dbraw/zinc/54/07/90/1066540790.db2.gz BZHMXWWKRYYNKW-UHFFFAOYSA-N 0 0 458.953 4.507 20 30 JJEDRN CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC001445163098 1066541091 /nfs/dbraw/zinc/54/10/91/1066541091.db2.gz VYXHBBHLXOPJHF-MQMQVCBVSA-N 0 0 457.578 4.574 20 30 JJEDRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC001445163087 1066541191 /nfs/dbraw/zinc/54/11/91/1066541191.db2.gz VYXHBBHLXOPJHF-JDQHYLEWSA-N 0 0 457.578 4.574 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361212156 1066546504 /nfs/dbraw/zinc/54/65/04/1066546504.db2.gz IDSJWPNSMWJHPR-DFBJGRDBSA-N 0 0 468.602 4.624 20 30 JJEDRN N#Cc1cccnc1NCc1cccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC001445250469 1066549158 /nfs/dbraw/zinc/54/91/58/1066549158.db2.gz YVBWTMQDGREKBP-DEOSSOPVSA-N 0 0 452.514 4.534 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(Cl)c1 ZINC001456274905 1066552964 /nfs/dbraw/zinc/55/29/64/1066552964.db2.gz LUKNRIWVZOHMGR-IBGZPJMESA-N 0 0 454.958 4.537 20 30 JJEDRN N#C[C@H]1CN(C(=O)CCSc2ccnc3cc(Cl)ccc32)CCN1Cc1ccccc1 ZINC001456276187 1066553338 /nfs/dbraw/zinc/55/33/38/1066553338.db2.gz OOXVIGFQONZCLO-FQEVSTJZSA-N 0 0 450.995 4.607 20 30 JJEDRN Cc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)nn1-c1cccc(C#N)c1 ZINC001456284427 1066555158 /nfs/dbraw/zinc/55/51/58/1066555158.db2.gz XKERTQWNSFFFMH-UHFFFAOYSA-N 0 0 457.534 4.598 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2occc2CN2c3ccccc3C[C@H]2C)ccc1OC ZINC001456298927 1066557804 /nfs/dbraw/zinc/55/78/04/1066557804.db2.gz BAUNHLADQGEZPH-XMSQKQJNSA-N 0 0 459.546 4.850 20 30 JJEDRN C=CC[C@@]1(C(=O)NCCCc2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C ZINC001456300111 1066557935 /nfs/dbraw/zinc/55/79/35/1066557935.db2.gz PWKJQNAKFRGIBV-QFIPXVFZSA-N 0 0 451.405 4.844 20 30 JJEDRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001361233861 1066574231 /nfs/dbraw/zinc/57/42/31/1066574231.db2.gz ICXIRWXOVMPJAN-HSZRJFAPSA-N 0 0 456.477 4.657 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCc1c(F)cccc1Cl ZINC001445470116 1066575011 /nfs/dbraw/zinc/57/50/11/1066575011.db2.gz XMKHWQRDLBBKRK-OAQYLSRUSA-N 0 0 457.933 4.544 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)o1 ZINC001361250255 1066596845 /nfs/dbraw/zinc/59/68/45/1066596845.db2.gz UGXWFRAQBWQNHZ-UHFFFAOYSA-N 0 0 458.469 4.878 20 30 JJEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)COc2ccc3cc(Br)ccc3c2)c1 ZINC001456491736 1066597870 /nfs/dbraw/zinc/59/78/70/1066597870.db2.gz JPCYEGBSLVOXDU-FQEVSTJZSA-N 0 0 453.336 4.978 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OCC(F)(F)F)nc2)o1 ZINC001361251377 1066598765 /nfs/dbraw/zinc/59/87/65/1066598765.db2.gz PNKFKJHXYQRCGY-UHFFFAOYSA-N 0 0 482.466 4.739 20 30 JJEDRN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cc(F)cc(C(F)(F)F)c1 ZINC001445703931 1066607121 /nfs/dbraw/zinc/60/71/21/1066607121.db2.gz AOPBQZVTVLYFHL-CYBMUJFWSA-N 0 0 455.761 4.920 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001456517547 1066609884 /nfs/dbraw/zinc/60/98/84/1066609884.db2.gz MSWPXCIEFIZLBN-WIYYLYMNSA-N 0 0 453.539 4.544 20 30 JJEDRN COc1ccccc1[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1noc(C)n1 ZINC001456521706 1066611639 /nfs/dbraw/zinc/61/16/39/1066611639.db2.gz ZQKXWAZKILJBLD-DEOSSOPVSA-N 0 0 454.486 4.878 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCc2scnc2C)s1 ZINC001361261642 1066614163 /nfs/dbraw/zinc/61/41/63/1066614163.db2.gz VMXIOELSXUNYQV-UHFFFAOYSA-N 0 0 464.620 4.743 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)CC2)c(F)c1 ZINC001456540440 1066619986 /nfs/dbraw/zinc/61/99/86/1066619986.db2.gz HVAOUZZQMVVTRU-UHFFFAOYSA-N 0 0 453.945 4.689 20 30 JJEDRN Cc1cc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001445869046 1066629038 /nfs/dbraw/zinc/62/90/38/1066629038.db2.gz ZFFOEONCQWFLJO-UHFFFAOYSA-N 0 0 451.317 4.679 20 30 JJEDRN O=C(c1ccc(N2CCCCC2)cc1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001456583654 1066632953 /nfs/dbraw/zinc/63/29/53/1066632953.db2.gz FBBPLOYRCLVRPC-GASCZTMLSA-N 0 0 456.377 4.920 20 30 JJEDRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445916645 1066635062 /nfs/dbraw/zinc/63/50/62/1066635062.db2.gz FWBPJWUQSPXZSK-CYBMUJFWSA-N 0 0 453.354 4.633 20 30 JJEDRN O=C(CCNC(=O)c1ccc(F)cc1)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC001456606780 1066641475 /nfs/dbraw/zinc/64/14/75/1066641475.db2.gz ZIVBFZQWSFAXGM-UHFFFAOYSA-N 0 0 452.326 4.544 20 30 JJEDRN COc1ccc(C[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2ccccc2)cc1OC ZINC001361284111 1066642381 /nfs/dbraw/zinc/64/23/81/1066642381.db2.gz MHFUUDRHRLQVIB-IBGZPJMESA-N 0 0 455.436 4.703 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC001456612099 1066643814 /nfs/dbraw/zinc/64/38/14/1066643814.db2.gz XSQUMKFGTKRXMP-UHFFFAOYSA-N 0 0 456.315 4.537 20 30 JJEDRN N#Cc1cc(NC(=O)c2cc3cc(Br)ccc3s2)ccc1N1CCC(O)CC1 ZINC001446026015 1066647110 /nfs/dbraw/zinc/64/71/10/1066647110.db2.gz SMSOKACWJQGBAF-UHFFFAOYSA-N 0 0 456.365 4.749 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCCc3ccccc3C2)c1 ZINC001456625561 1066649553 /nfs/dbraw/zinc/64/95/53/1066649553.db2.gz LIPNCZFQBCROHU-HSZRJFAPSA-N 0 0 455.583 4.966 20 30 JJEDRN CSc1cc(C)ccc1CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C ZINC001446043719 1066650653 /nfs/dbraw/zinc/65/06/53/1066650653.db2.gz QDBMPLFENKRAII-JOCHJYFZSA-N 0 0 451.592 4.739 20 30 JJEDRN Cc1ccccc1OCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 ZINC001492599987 1066651912 /nfs/dbraw/zinc/65/19/12/1066651912.db2.gz FHQHSMLQZDGODV-UHFFFAOYSA-N 0 0 497.441 4.954 20 30 JJEDRN Cc1c(I)cc(Br)cc1C(=O)N(C)c1ccc(C#N)cc1 ZINC001456733745 1066677571 /nfs/dbraw/zinc/67/75/71/1066677571.db2.gz UZCPRCQYQFRDEC-UHFFFAOYSA-N 0 0 455.093 4.510 20 30 JJEDRN COC(=O)C[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccc(C(C)(C)C)cc1 ZINC001456813791 1066699208 /nfs/dbraw/zinc/69/92/08/1066699208.db2.gz NOOJJDFIPWGPLN-OAQYLSRUSA-N 0 0 453.608 4.689 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H](C)C#N)s1 ZINC001492629991 1066703033 /nfs/dbraw/zinc/70/30/33/1066703033.db2.gz LJVXCLMPYFDJCJ-UONOGXRCSA-N 0 0 459.417 4.872 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H](C)CC#N)s1 ZINC001492631858 1066709025 /nfs/dbraw/zinc/70/90/25/1066709025.db2.gz SHJSSNJUOOATDX-IAGOWNOFSA-N 0 0 487.674 4.700 20 30 JJEDRN Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001446500596 1066711398 /nfs/dbraw/zinc/71/13/98/1066711398.db2.gz XSRBPZZGNLRBAK-JOCHJYFZSA-N 0 0 451.523 4.710 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)C)C2)s1 ZINC001492632639 1066711485 /nfs/dbraw/zinc/71/14/85/1066711485.db2.gz JNDYDHVDDFNLCM-XLIONFOSSA-N 0 0 450.612 4.780 20 30 JJEDRN C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(F)n1 ZINC001446504039 1066711718 /nfs/dbraw/zinc/71/17/18/1066711718.db2.gz KHCZIDONEAGMSG-DEOSSOPVSA-N 0 0 459.521 4.710 20 30 JJEDRN Cc1cnc(C2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCCOC(C)C)CC2)s1 ZINC001492633769 1066714412 /nfs/dbraw/zinc/71/44/12/1066714412.db2.gz OHYJABYRVMWMBL-UHFFFAOYSA-N 0 0 480.638 4.693 20 30 JJEDRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC001456890031 1066715364 /nfs/dbraw/zinc/71/53/64/1066715364.db2.gz VBKHIWOWEQZIIB-HXUWFJFHSA-N 0 0 453.539 4.640 20 30 JJEDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001456905695 1066717781 /nfs/dbraw/zinc/71/77/81/1066717781.db2.gz CMVIFBVDKVRPJX-LAUBAEHRSA-N 0 0 450.539 4.653 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@](C)(C#N)C2)n1 ZINC001492638088 1066725522 /nfs/dbraw/zinc/72/55/22/1066725522.db2.gz CSFJVAHBEOIUBK-MFNWEPNHSA-N 0 0 499.685 4.748 20 30 JJEDRN CON1CCC(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC001446642556 1066728132 /nfs/dbraw/zinc/72/81/32/1066728132.db2.gz KALPHTBGWJGLBA-CYBMUJFWSA-N 0 0 452.317 4.717 20 30 JJEDRN Cc1csc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(CC#N)CC2)n1 ZINC001492639908 1066729769 /nfs/dbraw/zinc/72/97/69/1066729769.db2.gz VDMAMDWEYMNXGQ-AHRSYUTCSA-N 0 0 499.685 4.748 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC001492640073 1066730231 /nfs/dbraw/zinc/73/02/31/1066730231.db2.gz WNNNLYJUFOTUTN-GOSISDBHSA-N 0 0 464.639 4.965 20 30 JJEDRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2=O)cc1 ZINC001457007815 1066740149 /nfs/dbraw/zinc/74/01/49/1066740149.db2.gz JUOWOXHYUXOPDS-GOSISDBHSA-N 0 0 459.477 4.880 20 30 JJEDRN Cc1csc(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(C)OC[C@@H]2C)n1 ZINC001492644458 1066742633 /nfs/dbraw/zinc/74/26/33/1066742633.db2.gz OSVOLFYHQARVMC-SFHVURJKSA-N 0 0 450.612 4.608 20 30 JJEDRN Cc1csc(CCCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@](F)(C#N)C2)n1 ZINC001492644621 1066742656 /nfs/dbraw/zinc/74/26/56/1066742656.db2.gz URONCQWFRUNHTG-IBGZPJMESA-N 0 0 495.447 4.999 20 30 JJEDRN Cc1csc(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@H](C)[C@H]2C)n1 ZINC001492644598 1066742776 /nfs/dbraw/zinc/74/27/76/1066742776.db2.gz TXDQHNZNAMVIHL-QZTJIDSGSA-N 0 0 452.653 4.935 20 30 JJEDRN Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)c1 ZINC001492645714 1066747029 /nfs/dbraw/zinc/74/70/29/1066747029.db2.gz GLPHQURHUGFYIA-UHFFFAOYSA-N 0 0 464.982 4.951 20 30 JJEDRN CCCCOc1c(Cl)cc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1OCC ZINC001457027108 1066747510 /nfs/dbraw/zinc/74/75/10/1066747510.db2.gz AQRBDZTUJCYUQV-UHFFFAOYSA-N 0 0 453.930 4.681 20 30 JJEDRN N#Cc1cc(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001457027467 1066748043 /nfs/dbraw/zinc/74/80/43/1066748043.db2.gz NPKYGIKCULANGZ-NRFANRHFSA-N 0 0 452.392 4.896 20 30 JJEDRN COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)O1 ZINC001457030488 1066748405 /nfs/dbraw/zinc/74/84/05/1066748405.db2.gz SUAAHPPNHXUWCF-AZUAARDMSA-N 0 0 462.424 4.809 20 30 JJEDRN Cc1csc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)c1 ZINC001492646968 1066750392 /nfs/dbraw/zinc/75/03/92/1066750392.db2.gz VZVNWHXCWOAQTN-SFHVURJKSA-N 0 0 496.637 4.912 20 30 JJEDRN Cc1csc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)c1 ZINC001492648338 1066753975 /nfs/dbraw/zinc/75/39/75/1066753975.db2.gz RADXGIKEJYQYIV-CALCHBBNSA-N 0 0 482.610 4.568 20 30 JJEDRN CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001446984593 1066761943 /nfs/dbraw/zinc/76/19/43/1066761943.db2.gz FSICAWKMSSXSST-NHCUHLMSSA-N 0 0 453.468 4.753 20 30 JJEDRN Cc1cscc1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCC#N)CCC(C)C ZINC001492654728 1066764371 /nfs/dbraw/zinc/76/43/71/1066764371.db2.gz ZZGPNYXIUFEQTD-UHFFFAOYSA-N 0 0 451.596 4.901 20 30 JJEDRN Cc1cscc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492655119 1066765209 /nfs/dbraw/zinc/76/52/09/1066765209.db2.gz CPUMWVQATZFTDB-UHFFFAOYSA-N 0 0 465.623 4.931 20 30 JJEDRN CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1)c1ccccc1 ZINC001545993296 1066780300 /nfs/dbraw/zinc/78/03/00/1066780300.db2.gz UWNWSRATQMRHAV-FYYLOGMGSA-N 0 0 494.640 4.520 20 30 JJEDRN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccc(C#N)cc1 ZINC001457196523 1066785467 /nfs/dbraw/zinc/78/54/67/1066785467.db2.gz XNDRGUMLGHGUQT-SFHVURJKSA-N 0 0 454.592 4.561 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN1CCCCC1 ZINC001447275308 1066786831 /nfs/dbraw/zinc/78/68/31/1066786831.db2.gz FOHDEWWYVOGJFE-QHCPKHFHSA-N 0 0 453.970 4.553 20 30 JJEDRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545994757 1066796003 /nfs/dbraw/zinc/79/60/03/1066796003.db2.gz FMSZNJROXYRARQ-QHCPKHFHSA-N 0 0 478.641 4.945 20 30 JJEDRN Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CCc2csc(C(C)(C)C)n2)cs1 ZINC001492670088 1066799642 /nfs/dbraw/zinc/79/96/42/1066799642.db2.gz NKCMDZJCLGLXBA-UHFFFAOYSA-N 0 0 469.684 4.761 20 30 JJEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)c1 ZINC001447369544 1066800341 /nfs/dbraw/zinc/80/03/41/1066800341.db2.gz WZXVCUCSHOSWIQ-LJQANCHMSA-N 0 0 451.613 4.793 20 30 JJEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001447404047 1066804658 /nfs/dbraw/zinc/80/46/58/1066804658.db2.gz RUESZOGYAGCOHB-UHFFFAOYSA-N 0 0 454.437 4.842 20 30 JJEDRN CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CCO1 ZINC001546089364 1066806332 /nfs/dbraw/zinc/80/63/32/1066806332.db2.gz NFNQILHNMRFWKA-TVZXLZGTSA-N 0 0 451.615 4.663 20 30 JJEDRN CC[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)Oc1ccccc1C(F)(F)F ZINC001457341309 1066812916 /nfs/dbraw/zinc/81/29/16/1066812916.db2.gz OLCLGGXKIMOLBC-INIZCTEOSA-N 0 0 455.274 4.856 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccc(OCC(C)C)c2)cs1 ZINC001492676597 1066814395 /nfs/dbraw/zinc/81/43/95/1066814395.db2.gz JQBMVMUSSOHTMC-VWLOTQADSA-N 0 0 464.639 4.847 20 30 JJEDRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001457347335 1066814698 /nfs/dbraw/zinc/81/46/98/1066814698.db2.gz YVUGUPXDGUGQHY-UHFFFAOYSA-N 0 0 456.270 4.868 20 30 JJEDRN C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)CCCN1C(=O)OC(C)(C)C ZINC001457361435 1066816617 /nfs/dbraw/zinc/81/66/17/1066816617.db2.gz UATFILOJRNHJMN-RDPSFJRHSA-N 0 0 458.990 4.588 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(I)c1C ZINC001447535798 1066819634 /nfs/dbraw/zinc/81/96/34/1066819634.db2.gz TTWGEBHNAALFPM-MRXNPFEDSA-N 0 0 458.340 4.788 20 30 JJEDRN C=CCn1c(SCC(=O)N2C[C@H](C)Oc3ccc(C)cc32)nnc1-c1ccc(Cl)cc1 ZINC001457420453 1066827147 /nfs/dbraw/zinc/82/71/47/1066827147.db2.gz CVEWRJBOBMBNII-INIZCTEOSA-N 0 0 454.983 4.999 20 30 JJEDRN Cc1nc(Cc2nnc(N3C[C@@H](c4ccccc4)[C@H](C#N)C3)n2CCCCOC(C)C)cs1 ZINC001492684032 1066828559 /nfs/dbraw/zinc/82/85/59/1066828559.db2.gz PEMGOKSUIITNJP-GGAORHGYSA-N 0 0 464.639 4.583 20 30 JJEDRN Cc1nc(CCn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@@](C)(C#N)C2)cs1 ZINC001492687639 1066833180 /nfs/dbraw/zinc/83/31/80/1066833180.db2.gz LPFUDDGZGJPRIJ-NRFANRHFSA-N 0 0 471.428 4.845 20 30 JJEDRN Cc1nc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@](C)(C#N)C2)cs1 ZINC001492689054 1066835106 /nfs/dbraw/zinc/83/51/06/1066835106.db2.gz MXHFSSDMJVQJPZ-UQBPGWFLSA-N 0 0 499.685 4.530 20 30 JJEDRN CC[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)Oc1cccc(C(F)(F)F)c1 ZINC001457470515 1066837882 /nfs/dbraw/zinc/83/78/82/1066837882.db2.gz DKGZSWXXQTTZNB-KRWDZBQOSA-N 0 0 455.274 4.856 20 30 JJEDRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)OC(C)(C)C)cs1 ZINC001492695239 1066841612 /nfs/dbraw/zinc/84/16/12/1066841612.db2.gz UFJKUMRVVLHWNO-OAQYLSRUSA-N 0 0 493.637 4.838 20 30 JJEDRN O=C(CNC(=O)c1ccc(F)cc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001447752265 1066853050 /nfs/dbraw/zinc/85/30/50/1066853050.db2.gz LPSSINGDXMVROB-OAHLLOKOSA-N 0 0 454.317 4.523 20 30 JJEDRN Cc1nccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492705314 1066864590 /nfs/dbraw/zinc/86/45/90/1066864590.db2.gz BPDYPUGGBLUCJK-UHFFFAOYSA-N 0 0 457.504 4.581 20 30 JJEDRN Cc1nccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N(CCC#N)CC1CC1 ZINC001492706951 1066869988 /nfs/dbraw/zinc/86/99/88/1066869988.db2.gz GAEIFKQPQCBPCL-UHFFFAOYSA-N 0 0 486.393 4.572 20 30 JJEDRN C=CC[C@]1(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)CCCN1C(=O)OC(C)(C)C ZINC001447903606 1066874758 /nfs/dbraw/zinc/87/47/58/1066874758.db2.gz MLUKVWMYHBSNIT-WMZHIEFXSA-N 0 0 452.954 4.725 20 30 JJEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3CSC3=NCCS3)n2)c(Cl)c1 ZINC001546092378 1066876546 /nfs/dbraw/zinc/87/65/46/1066876546.db2.gz XLLDZCUULVETEC-UHFFFAOYSA-N 0 0 453.980 4.986 20 30 JJEDRN C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(N(C)C)cc1 ZINC001447965125 1066884508 /nfs/dbraw/zinc/88/45/08/1066884508.db2.gz DYIJJZBPUAEGRZ-GOSISDBHSA-N 0 0 458.587 4.846 20 30 JJEDRN CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC001448023487 1066891697 /nfs/dbraw/zinc/89/16/97/1066891697.db2.gz VHKXJUPCYNAJGB-LJQANCHMSA-N 0 0 451.368 4.639 20 30 JJEDRN Cc1nn(C)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001492722179 1066893329 /nfs/dbraw/zinc/89/33/29/1066893329.db2.gz UVUSKHGHAONCBD-QHCPKHFHSA-N 0 0 459.642 4.596 20 30 JJEDRN CCCN(CCC)C(=O)c1cccc(C(=O)Oc2c(Br)cc(C#N)cc2OC)c1 ZINC001457665842 1066893966 /nfs/dbraw/zinc/89/39/66/1066893966.db2.gz PUXZMQQWQGSADA-UHFFFAOYSA-N 0 0 459.340 4.811 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC001457680828 1066895986 /nfs/dbraw/zinc/89/59/86/1066895986.db2.gz CZOXBYRRANDCHX-UHFFFAOYSA-N 0 0 458.356 4.727 20 30 JJEDRN Cc1cc(C)n(-c2ccc(Cn3c(-c4cccc(C#N)c4)nnc3N(C)CCC(C)C)cn2)n1 ZINC001492727904 1066897068 /nfs/dbraw/zinc/89/70/68/1066897068.db2.gz LYDHLVCNRUMPLK-UHFFFAOYSA-N 0 0 454.582 4.545 20 30 JJEDRN Cc1cc(C)n(-c2ccc(Cn3c([C@@H](C)Oc4cccc(C)c4C)nnc3N(C)C[C@H](C)C#N)cn2)n1 ZINC001492728066 1066897659 /nfs/dbraw/zinc/89/76/59/1066897659.db2.gz RLBNWHXMYJWENX-WZONZLPQSA-N 0 0 498.635 4.877 20 30 JJEDRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001492729688 1066899761 /nfs/dbraw/zinc/89/97/61/1066899761.db2.gz IANPCDWGCSSWPX-RPLLCQBOSA-N 0 0 475.641 4.659 20 30 JJEDRN COc1ccc2[nH]c([C@@H](C)NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)nc2c1 ZINC001448123682 1066902624 /nfs/dbraw/zinc/90/26/24/1066902624.db2.gz PDUJISIEBORUOY-OAHLLOKOSA-N 0 0 451.958 4.580 20 30 JJEDRN N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC001448167676 1066906156 /nfs/dbraw/zinc/90/61/56/1066906156.db2.gz RLVVLZIOKALIOY-IBGZPJMESA-N 0 0 454.445 4.509 20 30 JJEDRN C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CSC1(C)C ZINC001448200242 1066909422 /nfs/dbraw/zinc/90/94/22/1066909422.db2.gz NLTWPAVVNNMDRA-GOTSBHOMSA-N 0 0 450.604 4.870 20 30 JJEDRN Cc1ccc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)c(OC[C@H]2CCCO2)c1 ZINC001457754325 1066912396 /nfs/dbraw/zinc/91/23/96/1066912396.db2.gz LPRDJGSXXPPQRF-RUZDIDTESA-N 0 0 456.542 4.934 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)cc1 ZINC001457764655 1066913950 /nfs/dbraw/zinc/91/39/50/1066913950.db2.gz QJJRVKPRAPFDKO-UHFFFAOYSA-N 0 0 455.514 4.820 20 30 JJEDRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F ZINC001546004055 1066915392 /nfs/dbraw/zinc/91/53/92/1066915392.db2.gz VMWLQYUHXJYCPK-HXUWFJFHSA-N 0 0 468.602 4.761 20 30 JJEDRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC001457805051 1066924511 /nfs/dbraw/zinc/92/45/11/1066924511.db2.gz RGKYEZJKLWJBDS-IBGZPJMESA-N 0 0 451.368 4.977 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)Nc2cccc(NCC(F)(F)F)c2)nnc1-c1ccco1 ZINC001448488356 1066932219 /nfs/dbraw/zinc/93/22/19/1066932219.db2.gz SZLMINPSDZBASC-UHFFFAOYSA-N 0 0 451.474 4.819 20 30 JJEDRN C=CC[C@@]1(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CCCN1C(=O)OC(C)(C)C ZINC001457879362 1066935005 /nfs/dbraw/zinc/93/50/05/1066935005.db2.gz UJHUMGNSQFXDJN-FYSMJZIKSA-N 0 0 458.534 4.707 20 30 JJEDRN COC(=O)COc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc12 ZINC001457952928 1066947108 /nfs/dbraw/zinc/94/71/08/1066947108.db2.gz XOBLSXMYIZMINV-UHFFFAOYSA-N 0 0 456.454 4.688 20 30 JJEDRN Cc1c2nc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)sc2ccc1F ZINC001457982445 1066951429 /nfs/dbraw/zinc/95/14/29/1066951429.db2.gz PMUNMWILXJXVOE-UHFFFAOYSA-N 0 0 450.455 4.682 20 30 JJEDRN CCCCCCN(O)C(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC ZINC001458009760 1066956338 /nfs/dbraw/zinc/95/63/38/1066956338.db2.gz FGTMTMOAIMOFIG-RDGATRHJSA-N 0 0 454.567 4.986 20 30 JJEDRN O=C(c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(O)Cc1cccc2ccccc21 ZINC001458015739 1066957145 /nfs/dbraw/zinc/95/71/45/1066957145.db2.gz GQLCILCAMKPFSH-UHFFFAOYSA-N 0 0 450.491 4.811 20 30 JJEDRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N(O)Cc1cccc2ccccc21 ZINC001458014810 1066957287 /nfs/dbraw/zinc/95/72/87/1066957287.db2.gz AFTNXGXKCYGWBB-IBGZPJMESA-N 0 0 452.576 4.743 20 30 JJEDRN N#CC1(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)CCSCC1 ZINC001458038165 1066958923 /nfs/dbraw/zinc/95/89/23/1066958923.db2.gz DXIXATJHQKQOJP-UHFFFAOYSA-N 0 0 453.365 4.578 20 30 JJEDRN N#Cc1cccc(-c2nc(NC(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)n[nH]2)c1 ZINC001458041368 1066959403 /nfs/dbraw/zinc/95/94/03/1066959403.db2.gz IDOMTEFGENEFRH-UHFFFAOYSA-N 0 0 454.437 4.667 20 30 JJEDRN CC[C@@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001545698722 1066963997 /nfs/dbraw/zinc/96/39/97/1066963997.db2.gz LVZNZXPYNALNLM-NFBKMPQASA-N 0 0 462.642 4.571 20 30 JJEDRN O=C(Nc1ccn(-c2ncccc2F)n1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001458086463 1066970634 /nfs/dbraw/zinc/97/06/34/1066970634.db2.gz XGOZYJNTTJREMJ-UHFFFAOYSA-N 0 0 450.289 4.948 20 30 JJEDRN Cc1cc(C)c(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(C)c1Br ZINC001458089941 1066971466 /nfs/dbraw/zinc/97/14/66/1066971466.db2.gz AJEJIHKPUNFEHF-UHFFFAOYSA-N 0 0 456.384 4.690 20 30 JJEDRN O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001448941554 1066972231 /nfs/dbraw/zinc/97/22/31/1066972231.db2.gz ULTOCUQPDMGQFB-CKNOQMABSA-N 0 0 455.301 4.903 20 30 JJEDRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 ZINC001546010636 1066972693 /nfs/dbraw/zinc/97/26/93/1066972693.db2.gz OXQWZNAPFMKUBN-LJQANCHMSA-N 0 0 462.623 4.593 20 30 JJEDRN CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccccc1 ZINC001545719714 1066973594 /nfs/dbraw/zinc/97/35/94/1066973594.db2.gz LECIMUXTRBJWBM-FXOREOJDSA-N 0 0 492.668 4.919 20 30 JJEDRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001458118468 1066980773 /nfs/dbraw/zinc/98/07/73/1066980773.db2.gz BTNFSPLKNWJBBX-JOCHJYFZSA-N 0 0 458.518 4.968 20 30 JJEDRN COC(=O)COc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1Cl ZINC001458123957 1066982337 /nfs/dbraw/zinc/98/23/37/1066982337.db2.gz PMXDNZYARVTEBK-UHFFFAOYSA-N 0 0 450.878 4.595 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)NC(C)(C)COc2ncccc2C(F)(F)F)cc1OC ZINC001458125595 1066983202 /nfs/dbraw/zinc/98/32/02/1066983202.db2.gz PXFNNJCGLQLRQO-PKNBQFBNSA-N 0 0 450.457 4.661 20 30 JJEDRN C=C[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001545727152 1066984331 /nfs/dbraw/zinc/98/43/31/1066984331.db2.gz GNIMXTCOHVGYJZ-UPCLLVRISA-N 0 0 458.480 4.881 20 30 JJEDRN C=C[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001545727355 1066984358 /nfs/dbraw/zinc/98/43/58/1066984358.db2.gz MFAWOTFDSJOXEA-QYBDOPJKSA-N 0 0 456.542 4.533 20 30 JJEDRN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](CCC#N)c4ccccc4)c(=O)c23)cc1 ZINC001458146150 1066987586 /nfs/dbraw/zinc/98/75/86/1066987586.db2.gz JBXLYOSTGBECAC-JOCHJYFZSA-N 0 0 456.571 4.985 20 30 JJEDRN N#Cc1sc(N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)nc1Cl ZINC001458155439 1066990857 /nfs/dbraw/zinc/99/08/57/1066990857.db2.gz CBDFOWGBBCQALX-UHFFFAOYSA-N 0 0 451.699 4.776 20 30 JJEDRN CC[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC001546012809 1066994984 /nfs/dbraw/zinc/99/49/84/1066994984.db2.gz OVPHIYBDXJLIFC-IBGZPJMESA-N 0 0 489.020 4.554 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001449355669 1067002906 /nfs/dbraw/zinc/00/29/06/1067002906.db2.gz IAVMDTXFUFMPML-VWLOTQADSA-N 0 0 453.542 4.813 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2ccc(CC)c(Cl)c2)CC1 ZINC001449360261 1067003785 /nfs/dbraw/zinc/00/37/85/1067003785.db2.gz DMXVVYFORHFKDR-UHFFFAOYSA-N 0 0 450.970 4.615 20 30 JJEDRN N#CC[C@@H](CC(=O)N(CCn1ccnc1)Cc1ccccc1Br)c1ccccc1 ZINC001449378469 1067005771 /nfs/dbraw/zinc/00/57/71/1067005771.db2.gz YDFOJOCJOOIEML-FQEVSTJZSA-N 0 0 451.368 4.762 20 30 JJEDRN N#Cc1ccc(-n2ccc(NC(=O)C(F)(F)c3ccccc3Br)n2)c(Cl)c1 ZINC001458220353 1067006440 /nfs/dbraw/zinc/00/64/40/1067006440.db2.gz FRVCSZVGEFVWMJ-UHFFFAOYSA-N 0 0 451.658 4.890 20 30 JJEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001458222635 1067006832 /nfs/dbraw/zinc/00/68/32/1067006832.db2.gz KGBFZNDVYCQBLY-LLVKDONJSA-N 0 0 450.852 4.515 20 30 JJEDRN CS(=O)(=O)c1cccc([C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c2ccccc2)c1 ZINC001458235494 1067009336 /nfs/dbraw/zinc/00/93/36/1067009336.db2.gz ZOZOZTMQURHZID-XMMPIXPASA-N 0 0 458.499 4.620 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H](CCCO)c2ccccc2)c1 ZINC001545744653 1067011660 /nfs/dbraw/zinc/01/16/60/1067011660.db2.gz IUIBIDXMXCVGFA-HSZRJFAPSA-N 0 0 459.571 4.533 20 30 JJEDRN N#Cc1ccc(CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C2CC2)cc1 ZINC001458254209 1067013220 /nfs/dbraw/zinc/01/32/20/1067013220.db2.gz PPBDTMSFAVRNLJ-UHFFFAOYSA-N 0 0 456.289 4.764 20 30 JJEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)n1 ZINC001458257287 1067014339 /nfs/dbraw/zinc/01/43/39/1067014339.db2.gz LNJAOKJCVWAAOR-UHFFFAOYSA-N 0 0 454.715 4.822 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@](C)(C#N)C(C)(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC001458277894 1067019658 /nfs/dbraw/zinc/01/96/58/1067019658.db2.gz CJTVBUTYKKJSJV-HXUWFJFHSA-N 0 0 452.411 4.975 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)CCCCOc3cccc(C#N)c3)C2)C1 ZINC001449709472 1067022324 /nfs/dbraw/zinc/02/23/24/1067022324.db2.gz RZEHCAJKBRZTSI-YADHBBJMSA-N 0 0 455.599 4.603 20 30 JJEDRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001458313942 1067027589 /nfs/dbraw/zinc/02/75/89/1067027589.db2.gz FVKBTWHSDNBMNX-HOCLYGCPSA-N 0 0 452.301 4.896 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC001449904257 1067036377 /nfs/dbraw/zinc/03/63/77/1067036377.db2.gz TYUCMKBGZDSQPL-IEBWSBKVSA-N 0 0 473.495 4.746 20 30 JJEDRN CC(C)(C)Oc1ccc(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)cc1C#N ZINC001450009387 1067041250 /nfs/dbraw/zinc/04/12/50/1067041250.db2.gz BZVMJJZXUQBCTM-UHFFFAOYSA-N 0 0 451.401 4.804 20 30 JJEDRN Cc1cc(-c2noc([C@@H](C)NC(=O)c3cccc(CNc4ncccc4C#N)c3)n2)ccc1F ZINC001545762601 1067046349 /nfs/dbraw/zinc/04/63/49/1067046349.db2.gz QHZZRSDSRLOWEM-MRXNPFEDSA-N 0 0 456.481 4.554 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nc3cc(Br)cnc3[nH]2)s1 ZINC001450074734 1067047613 /nfs/dbraw/zinc/04/76/13/1067047613.db2.gz FFSHARFFTMHXSW-UHFFFAOYSA-N 0 0 458.794 4.511 20 30 JJEDRN N#Cc1cc(C(F)(F)F)cc(N2CC[C@@H](Cc3cccc(I)c3)C2)n1 ZINC001458400014 1067052440 /nfs/dbraw/zinc/05/24/40/1067052440.db2.gz NBALSEXANBFSHK-ZDUSSCGKSA-N 0 0 457.237 4.646 20 30 JJEDRN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC001458401296 1067052909 /nfs/dbraw/zinc/05/29/09/1067052909.db2.gz ZPSUCXSNAXAOTA-FQEVSTJZSA-N 0 0 458.942 4.871 20 30 JJEDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)nn1-c1cccc(C#N)c1 ZINC001450143529 1067054124 /nfs/dbraw/zinc/05/41/24/1067054124.db2.gz KQUIMMJLDISWKS-OPAMFIHVSA-N 0 0 454.452 4.673 20 30 JJEDRN CN(CC(C)(C)C#N)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001450149404 1067054384 /nfs/dbraw/zinc/05/43/84/1067054384.db2.gz FOYAOKSXYKGLEC-UHFFFAOYSA-N 0 0 451.368 4.852 20 30 JJEDRN C=CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C ZINC001450193043 1067058254 /nfs/dbraw/zinc/05/82/54/1067058254.db2.gz LQERMYANAPLQEX-UHFFFAOYSA-N 0 0 452.411 4.928 20 30 JJEDRN N#C[C@H](NC(=O)COc1ccccc1OCc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC001458439353 1067060572 /nfs/dbraw/zinc/06/05/72/1067060572.db2.gz KYGIBTSNMRSGBQ-FQEVSTJZSA-N 0 0 456.420 4.924 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(Br)C1)OC ZINC001545772718 1067061438 /nfs/dbraw/zinc/06/14/38/1067061438.db2.gz JWFOEONNIFRXCY-UHFFFAOYSA-N 0 0 458.404 4.901 20 30 JJEDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC001458446203 1067062622 /nfs/dbraw/zinc/06/26/22/1067062622.db2.gz FVGSIDGXCRTEGY-IBGZPJMESA-N 0 0 453.340 4.664 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@H](C#N)c3cccc(Br)c3)ccc21 ZINC001458446561 1067063266 /nfs/dbraw/zinc/06/32/66/1067063266.db2.gz HKKBPMKZBHPZLK-GOSISDBHSA-N 0 0 456.340 4.741 20 30 JJEDRN C#CCN(CC(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1)C(=O)OC(C)(C)C ZINC001450259602 1067065744 /nfs/dbraw/zinc/06/57/44/1067065744.db2.gz PLGKJOBPRCUHEC-UHFFFAOYSA-N 0 0 452.942 4.547 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)SC ZINC001545774311 1067066088 /nfs/dbraw/zinc/06/60/88/1067066088.db2.gz KZCCDMDBAQSBFX-NRFANRHFSA-N 0 0 482.698 4.870 20 30 JJEDRN Cc1ccc(OCCC(=O)N[C@H](C#N)c2cccc(Br)c2)c(Br)c1 ZINC001458451674 1067066129 /nfs/dbraw/zinc/06/61/29/1067066129.db2.gz YMLJGQUKAJVFBI-MRXNPFEDSA-N 0 0 452.146 4.670 20 30 JJEDRN CC(C)(C)c1cc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c(C#N)s1 ZINC001458453448 1067066431 /nfs/dbraw/zinc/06/64/31/1067066431.db2.gz LRKMIVAUESXRCB-UHFFFAOYSA-N 0 0 455.277 4.682 20 30 JJEDRN C#C[C@H](NC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 ZINC001450275679 1067067858 /nfs/dbraw/zinc/06/78/58/1067067858.db2.gz SFQASXHGSSSKOA-FQEVSTJZSA-N 0 0 457.368 4.621 20 30 JJEDRN N#Cc1cccc(C2(C(=O)NCCOc3ccc(Br)cc3C(F)(F)F)CC2)c1 ZINC001458469670 1067070001 /nfs/dbraw/zinc/07/00/01/1067070001.db2.gz IUWBRQBTXHXPCT-UHFFFAOYSA-N 0 0 453.258 4.566 20 30 JJEDRN N#Cc1ccc(C2=CCN(C(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)CC2)cc1 ZINC001458476952 1067071913 /nfs/dbraw/zinc/07/19/13/1067071913.db2.gz JJQAZJNBRGYBAU-QHCPKHFHSA-N 0 0 450.380 4.774 20 30 JJEDRN N#C[C@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1cccc(Cl)c1Cl ZINC001458506163 1067078013 /nfs/dbraw/zinc/07/80/13/1067078013.db2.gz OIWAVBRWYKQTGJ-DJJJIMSYSA-N 0 0 452.750 4.957 20 30 JJEDRN CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001450548408 1067089814 /nfs/dbraw/zinc/08/98/14/1067089814.db2.gz IMNAAHVKGGXIMN-UHFFFAOYSA-N 0 0 458.374 4.667 20 30 JJEDRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNc1nccc(Oc2cccc(C#N)c2)n1 ZINC001458573321 1067089833 /nfs/dbraw/zinc/08/98/33/1067089833.db2.gz QAOPXRSKXIVMHG-NRFANRHFSA-N 0 0 457.534 4.914 20 30 JJEDRN CCC(CC)(Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1)SC ZINC001545792445 1067090086 /nfs/dbraw/zinc/09/00/86/1067090086.db2.gz AHPUGTOHUSKJOT-FQEVSTJZSA-N 0 0 471.671 4.940 20 30 JJEDRN N#C[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1c(Cl)cccc1Cl ZINC001458612864 1067095805 /nfs/dbraw/zinc/09/58/05/1067095805.db2.gz DVQGAKPHYOIYTN-INIZCTEOSA-N 0 0 450.123 4.936 20 30 JJEDRN N#C[C@@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1c(Cl)cccc1Cl ZINC001458614127 1067096010 /nfs/dbraw/zinc/09/60/10/1067096010.db2.gz MIFYAQCSXLCXKD-LJQANCHMSA-N 0 0 450.281 4.789 20 30 JJEDRN CCc1c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC001458616285 1067096362 /nfs/dbraw/zinc/09/63/62/1067096362.db2.gz BKARQZDGEDCFFZ-IBGZPJMESA-N 0 0 457.456 4.630 20 30 JJEDRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001458619800 1067096810 /nfs/dbraw/zinc/09/68/10/1067096810.db2.gz GQPKLYKIPORKHJ-IRLDBZIGSA-N 0 0 451.567 4.940 20 30 JJEDRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC001458622447 1067097565 /nfs/dbraw/zinc/09/75/65/1067097565.db2.gz IOTGAQGYQVQMAC-WZONZLPQSA-N 0 0 453.608 4.542 20 30 JJEDRN N#C[C@@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 ZINC001458626480 1067098020 /nfs/dbraw/zinc/09/80/20/1067098020.db2.gz PWCYJQGHZIJULZ-MSOLQXFVSA-N 0 0 453.848 4.658 20 30 JJEDRN CCOc1c(Br)cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1OC ZINC001458627623 1067098587 /nfs/dbraw/zinc/09/85/87/1067098587.db2.gz RANLQZUVMMIKRM-HNNXBMFYSA-N 0 0 457.246 4.870 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CCC2)C1)OC ZINC001545798184 1067098796 /nfs/dbraw/zinc/09/87/96/1067098796.db2.gz GZJMGEDVVATCQU-QHCPKHFHSA-N 0 0 451.615 4.665 20 30 JJEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC001458628789 1067099051 /nfs/dbraw/zinc/09/90/51/1067099051.db2.gz SRNSOFWCWDNVJF-PXJFTPKESA-N 0 0 452.518 4.610 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(C1)CCOCC2)OC ZINC001545798274 1067099151 /nfs/dbraw/zinc/09/91/51/1067099151.db2.gz IFMDXKBOAVXGCD-QHCPKHFHSA-N 0 0 451.615 4.665 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)OC ZINC001545798291 1067099285 /nfs/dbraw/zinc/09/92/85/1067099285.db2.gz IQLAIRPNUZCCPY-AVRDEDQJSA-N 0 0 492.590 4.731 20 30 JJEDRN Cc1sc(=O)n(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1-c1ccc(F)cc1 ZINC001458630643 1067099633 /nfs/dbraw/zinc/09/96/33/1067099633.db2.gz ZHSIJYKFGZNHDU-QGZVFWFLSA-N 0 0 450.322 4.712 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)OC ZINC001545798563 1067101324 /nfs/dbraw/zinc/10/13/24/1067101324.db2.gz NFWARMDKUKQMMQ-ILBGXUMGSA-N 0 0 475.641 4.905 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545798653 1067101813 /nfs/dbraw/zinc/10/18/13/1067101813.db2.gz OVKNIKQHWLDGEA-DHIUTWEWSA-N 0 0 496.656 4.761 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)OC ZINC001545798908 1067103007 /nfs/dbraw/zinc/10/30/07/1067103007.db2.gz SZGHABJMFYFYEL-RPBOFIJWSA-N 0 0 490.656 4.708 20 30 JJEDRN CCc1cc(N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc(-c2ccncc2)n1 ZINC001458665615 1067103959 /nfs/dbraw/zinc/10/39/59/1067103959.db2.gz KTQZVIADNQZGEE-CHWSQXEVSA-N 0 0 452.349 4.708 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC001450732381 1067113118 /nfs/dbraw/zinc/11/31/18/1067113118.db2.gz ZBVAYAFXDWNGLH-QGZVFWFLSA-N 0 0 455.958 4.504 20 30 JJEDRN CCCCCCn1c(S[C@H](C)C(=O)NC2(C#N)CCC2)nc2sc3c(c2c1=O)CCC3 ZINC001458726315 1067118837 /nfs/dbraw/zinc/11/88/37/1067118837.db2.gz PURBWEUMWCTOMH-OAHLLOKOSA-N 0 0 458.653 4.570 20 30 JJEDRN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC001458728239 1067120219 /nfs/dbraw/zinc/12/02/19/1067120219.db2.gz AWBMDMRBSPRGQH-LJQANCHMSA-N 0 0 457.235 4.711 20 30 JJEDRN C#C[C@H](NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(Cl)cc1 ZINC001450846664 1067130957 /nfs/dbraw/zinc/13/09/57/1067130957.db2.gz JZWSFASIYPCACS-INIZCTEOSA-N 0 0 458.008 4.653 20 30 JJEDRN C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC001450843691 1067130983 /nfs/dbraw/zinc/13/09/83/1067130983.db2.gz HUIVZOFPIVFTLH-FQEVSTJZSA-N 0 0 459.354 4.899 20 30 JJEDRN C=CCCC[C@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1)c1ccccc1 ZINC001458770836 1067137635 /nfs/dbraw/zinc/13/76/35/1067137635.db2.gz VGTYJXUODMQELP-ZEQRLZLVSA-N 0 0 452.620 4.510 20 30 JJEDRN C=CCn1c(SCC(=O)c2cc(C(=O)OC)[nH]c2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC001458776228 1067141099 /nfs/dbraw/zinc/14/10/99/1067141099.db2.gz QKKDRIRYHMYPOR-UHFFFAOYSA-N 0 0 452.580 4.827 20 30 JJEDRN CC(C)(C)c1ccc(OCc2nnc(SCc3ccc(C#N)cc3OC(F)F)n2N)cc1 ZINC001458779356 1067142933 /nfs/dbraw/zinc/14/29/33/1067142933.db2.gz XEYYULVWAOGWMH-UHFFFAOYSA-N 0 0 459.522 4.634 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)C(C)(C)C(=O)OC)nc2scc(-c3ccccc3)c2c1=O ZINC001458818874 1067154833 /nfs/dbraw/zinc/15/48/33/1067154833.db2.gz OLWWHSDWHJRWFP-CQSZACIVSA-N 0 0 456.589 4.560 20 30 JJEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001458824230 1067157936 /nfs/dbraw/zinc/15/79/36/1067157936.db2.gz CPWMIEWGJLQRQW-UHFFFAOYSA-N 0 0 456.915 4.773 20 30 JJEDRN CC1(C)CN=C(N2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CC2)S1 ZINC001545820701 1067160400 /nfs/dbraw/zinc/16/04/00/1067160400.db2.gz GLWTYHQYZCRNGP-UHFFFAOYSA-N 0 0 454.983 4.643 20 30 JJEDRN C=CCn1c(SCC(=O)N(C)CCOc2cc(C)cc(C)c2)nnc1-c1ccccc1F ZINC001458829390 1067160739 /nfs/dbraw/zinc/16/07/39/1067160739.db2.gz XINSQBCOQUPSJP-UHFFFAOYSA-N 0 0 454.571 4.517 20 30 JJEDRN C=CCn1c(COc2ccccc2F)nnc1S[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC001458829655 1067161448 /nfs/dbraw/zinc/16/14/48/1067161448.db2.gz YREISWCNZMHGDH-HXUWFJFHSA-N 0 0 456.518 4.609 20 30 JJEDRN CC(C)Cn1c(SCCOc2ccc(C#N)cc2)nc2ccc(Br)cc2c1=O ZINC001458837396 1067165567 /nfs/dbraw/zinc/16/55/67/1067165567.db2.gz ZPNZYQMUXJFUBU-UHFFFAOYSA-N 0 0 458.381 4.858 20 30 JJEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)no2)n1 ZINC001458837784 1067165621 /nfs/dbraw/zinc/16/56/21/1067165621.db2.gz RDCVVNVZSPXHSG-UHFFFAOYSA-N 0 0 452.243 4.553 20 30 JJEDRN CCC(CC)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)on1 ZINC001545825020 1067170447 /nfs/dbraw/zinc/17/04/47/1067170447.db2.gz PXVLUFUKFWEOPK-SANMLTNESA-N 0 0 473.581 4.799 20 30 JJEDRN CCC(CC)c1cc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C#N)C2)on1 ZINC001545825094 1067171094 /nfs/dbraw/zinc/17/10/94/1067171094.db2.gz RVNCVVPPENRVHU-QFIPXVFZSA-N 0 0 492.624 4.958 20 30 JJEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C ZINC001458879757 1067184776 /nfs/dbraw/zinc/18/47/76/1067184776.db2.gz OMOMLGFJKVXOGA-UHFFFAOYSA-N 0 0 452.514 4.997 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001545836499 1067189764 /nfs/dbraw/zinc/18/97/64/1067189764.db2.gz PALYLQUFPWAQEZ-FYYLOGMGSA-N 0 0 494.684 4.934 20 30 JJEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cn3cccc(C(F)(F)F)c3=O)sc2C1 ZINC001458909972 1067193703 /nfs/dbraw/zinc/19/37/03/1067193703.db2.gz WKUOARXMFKKRLP-ZDUSSCGKSA-N 0 0 451.514 4.980 20 30 JJEDRN C=CCn1nnnc1SCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001458913491 1067194877 /nfs/dbraw/zinc/19/48/77/1067194877.db2.gz BRXAPRTWVALSKD-UHFFFAOYSA-N 0 0 453.369 4.767 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001545845612 1067197369 /nfs/dbraw/zinc/19/73/69/1067197369.db2.gz MGLKENNQYAIPOG-AEFFLSMTSA-N 0 0 454.541 4.620 20 30 JJEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nc(-c3cccc(Cl)c3Cl)cs2)C1=O ZINC001458937774 1067203021 /nfs/dbraw/zinc/20/30/21/1067203021.db2.gz ZVMAMWOLAYGTRE-NRFANRHFSA-N 0 0 457.342 4.956 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C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1cnccn1 ZINC001458992204 1067222454 /nfs/dbraw/zinc/22/24/54/1067222454.db2.gz GPQRYTUWWPXWRZ-GOSISDBHSA-N 0 0 456.575 4.631 20 30 JJEDRN C=CCn1c(S[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)nnc1-c1cccs1 ZINC001458995392 1067224003 /nfs/dbraw/zinc/22/40/03/1067224003.db2.gz MPLWEKGXNCUQES-LJQANCHMSA-N 0 0 455.609 4.906 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)nnc1-c1ccc(C)cc1 ZINC001458999823 1067225747 /nfs/dbraw/zinc/22/57/47/1067225747.db2.gz LTRKBBXFBLCUQN-UHFFFAOYSA-N 0 0 459.579 4.572 20 30 JJEDRN C=C(C)Cn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 ZINC001459000806 1067226303 /nfs/dbraw/zinc/22/63/03/1067226303.db2.gz YQTXGXQXDBVLEX-CYBMUJFWSA-N 0 0 458.931 4.597 20 30 JJEDRN COc1ccc(Nc2ccc(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)cc2)c(OC)c1 ZINC001452482503 1067226844 /nfs/dbraw/zinc/22/68/44/1067226844.db2.gz AJDHKHRHGOLMDK-QHCPKHFHSA-N 0 0 456.546 4.670 20 30 JJEDRN C=CCOc1ccccc1CN(C(=O)CSc1nc(CC)c[nH]1)c1ccc2c(c1)OCO2 ZINC001459003806 1067227147 /nfs/dbraw/zinc/22/71/47/1067227147.db2.gz YXJBZLSUGDGKTH-UHFFFAOYSA-N 0 0 451.548 4.591 20 30 JJEDRN C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)nnc1-c1ccc(C)cc1 ZINC001459003378 1067227173 /nfs/dbraw/zinc/22/71/73/1067227173.db2.gz WNGMRHQLSRJUIB-KRWDZBQOSA-N 0 0 454.571 4.726 20 30 JJEDRN CCOc1ccc([C@]2(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)CC2(Cl)Cl)cc1 ZINC001452492190 1067227810 /nfs/dbraw/zinc/22/78/10/1067227810.db2.gz VDMKNQFDFXPHGU-OFNKIYASSA-N 0 0 458.389 4.510 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC001452523629 1067231001 /nfs/dbraw/zinc/23/10/01/1067231001.db2.gz YVAFUGZBCUFWJQ-LEWJYISDSA-N 0 0 457.958 4.947 20 30 JJEDRN Cc1cc(C(=O)COc2cc(C#N)ccc2I)c(C)n1-c1ccccc1 ZINC001459054767 1067240424 /nfs/dbraw/zinc/24/04/24/1067240424.db2.gz KFTJQGCCEUQHGL-UHFFFAOYSA-N 0 0 456.283 4.832 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC001452688094 1067243913 /nfs/dbraw/zinc/24/39/13/1067243913.db2.gz VHTKZBNGHKWMQS-VSKRKVRLSA-N 0 0 455.599 4.555 20 30 JJEDRN C[C@@H](Sc1nnc2ccc(Br)cn21)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC001459090509 1067249235 /nfs/dbraw/zinc/24/92/35/1067249235.db2.gz UPYGGCQBVPHZMO-VBEHJTROSA-N 0 0 457.397 4.853 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H]3CCCc4c(OC)ccc(Cl)c43)[nH]n2)c1C ZINC001452767954 1067249925 /nfs/dbraw/zinc/24/99/25/1067249925.db2.gz NVQPGKQBGMYUNI-FQEVSTJZSA-N 0 0 453.974 4.888 20 30 JJEDRN N#C[C@]1(NC(=O)c2ccc(COc3cccc(Br)c3)o2)CCc2ccccc2C1 ZINC001459135735 1067258424 /nfs/dbraw/zinc/25/84/24/1067258424.db2.gz SOGORLKSJXWNOA-QHCPKHFHSA-N 0 0 451.320 4.802 20 30 JJEDRN C[C@@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cc(C#N)cc(N(C)C)c3)sc2[C@@H](C)O1 ZINC001459158582 1067263491 /nfs/dbraw/zinc/26/34/91/1067263491.db2.gz HEQZCDQOPIUCIV-ZIAGYGMSSA-N 0 0 455.580 4.916 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(C)(C#N)CC2)O1 ZINC001546046130 1067264729 /nfs/dbraw/zinc/26/47/29/1067264729.db2.gz XAKSECNSCZSDMD-QFQXNSOFSA-N 0 0 464.614 4.625 20 30 JJEDRN CC[C@@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(C)(C#N)CC2)O1 ZINC001546046131 1067264737 /nfs/dbraw/zinc/26/47/37/1067264737.db2.gz XAKSECNSCZSDMD-RLWLMLJZSA-N 0 0 464.614 4.625 20 30 JJEDRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001459178661 1067266423 /nfs/dbraw/zinc/26/64/23/1067266423.db2.gz OZEUMMSVJGSAHQ-RBUKOAKNSA-N 0 0 458.375 4.766 20 30 JJEDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001459178660 1067266609 /nfs/dbraw/zinc/26/66/09/1067266609.db2.gz OZEUMMSVJGSAHQ-OALUTQOASA-N 0 0 458.375 4.766 20 30 JJEDRN C=CC[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(OCC)cc2)C1 ZINC001452995826 1067272248 /nfs/dbraw/zinc/27/22/48/1067272248.db2.gz AKJCZSHZBSNVTA-GOSISDBHSA-N 0 0 452.580 4.833 20 30 JJEDRN COc1cc(C#N)ccc1OCCOc1cc(C(C)(C)C)ccc1I 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4.621 20 30 JJEDRN C=CCOc1c(Br)cc(CN[C@@H](C)c2ncc(C(=O)OC)s2)cc1OCC ZINC001461591695 1067895955 /nfs/dbraw/zinc/89/59/55/1067895955.db2.gz LOQUAXCWCNLAKE-LBPRGKRZSA-N 0 0 455.374 4.507 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCC1(C#N)CCCCC1)c1ccc(Br)cc1 ZINC001461623949 1067903581 /nfs/dbraw/zinc/90/35/81/1067903581.db2.gz GKURCHYUCYDDHI-KRWDZBQOSA-N 0 0 450.377 4.605 20 30 JJEDRN C=CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl)C(C)(C)C ZINC001461624293 1067904154 /nfs/dbraw/zinc/90/41/54/1067904154.db2.gz AEAOKHVKMSVSQR-UHFFFAOYSA-N 0 0 450.988 4.600 20 30 JJEDRN N#CC1(CNC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)CCCCC1 ZINC001461629147 1067905241 /nfs/dbraw/zinc/90/52/41/1067905241.db2.gz XJRDXKWVMLCPED-UHFFFAOYSA-N 0 0 459.468 4.927 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2ccnc(F)c2F)nnc1-c1ccc(Cl)cc1Cl ZINC001461690838 1067919148 /nfs/dbraw/zinc/91/91/48/1067919148.db2.gz DBXGYXHEADGMKY-UHFFFAOYSA-N 0 0 456.305 4.842 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1 ZINC001461695194 1067920375 /nfs/dbraw/zinc/92/03/75/1067920375.db2.gz WORJMALSTPOWJG-DNQXCXABSA-N 0 0 457.505 4.961 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N[C@H](C#N)c2ccccc2Br)C1 ZINC001461742302 1067928867 /nfs/dbraw/zinc/92/88/67/1067928867.db2.gz JLANILRXPCYIDX-CRAIPNDOSA-N 0 0 450.377 4.557 20 30 JJEDRN CC(C)Oc1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)ccc1Br ZINC001461741329 1067928893 /nfs/dbraw/zinc/92/88/93/1067928893.db2.gz GYWHRXPJXWLUHE-INIZCTEOSA-N 0 0 452.146 4.993 20 30 JJEDRN N#Cc1cc(F)c(OC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c(Br)c1 ZINC001461776860 1067935326 /nfs/dbraw/zinc/93/53/26/1067935326.db2.gz QPHZTFRFYATTFS-UHFFFAOYSA-N 0 0 450.651 4.701 20 30 JJEDRN C=CC(C)(C)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC001461783353 1067936533 /nfs/dbraw/zinc/93/65/33/1067936533.db2.gz DHQZGWLKMUHCLC-NOZRDPDXSA-N 0 0 450.579 4.907 20 30 JJEDRN COc1cc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc(OC)c1OCC(F)F ZINC001461883978 1067954219 /nfs/dbraw/zinc/95/42/19/1067954219.db2.gz KHXWVNPXCVQNHM-TXEJJXNPSA-N 0 0 451.354 4.910 20 30 JJEDRN N#C[C@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)CCN1Cc1ccccc1 ZINC001462026537 1067984184 /nfs/dbraw/zinc/98/41/84/1067984184.db2.gz DIDQWYSCADFPNB-QFIPXVFZSA-N 0 0 453.428 4.649 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)cc1OC ZINC001462048153 1067989990 /nfs/dbraw/zinc/98/99/90/1067989990.db2.gz HVILITIPSKRBRS-HTEIVERDSA-N 0 0 456.583 4.566 20 30 JJEDRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001462101117 1068002402 /nfs/dbraw/zinc/00/24/02/1068002402.db2.gz WUWRECQBSPGUQY-AWEZNQCLSA-N 0 0 452.301 4.538 20 30 JJEDRN F[C@@H]1CC2(CC[C@H]1N1CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1)OCCO2 ZINC001462137719 1068013303 /nfs/dbraw/zinc/01/33/03/1068013303.db2.gz NNNHHBKPXFAWRL-BRWVUGGUSA-N 0 0 457.386 4.731 20 30 JJEDRN O=c1c(CN2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cccn1C(F)F ZINC001462136170 1068013411 /nfs/dbraw/zinc/01/34/11/1068013411.db2.gz IJDZLFHPDWFFSW-HNNXBMFYSA-N 0 0 456.333 4.855 20 30 JJEDRN N#Cc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)c(Cl)c1 ZINC001462166986 1068020501 /nfs/dbraw/zinc/02/05/01/1068020501.db2.gz OXQHNCNHVQTGJC-UHFFFAOYSA-N 0 0 456.775 4.686 20 30 JJEDRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)Nc1cc(F)c(F)c(F)c1F ZINC001462292481 1068044835 /nfs/dbraw/zinc/04/48/35/1068044835.db2.gz MMHCDIIAUMYXQH-ZDUSSCGKSA-N 0 0 452.326 4.819 20 30 JJEDRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)n1 ZINC001462325248 1068051439 /nfs/dbraw/zinc/05/14/39/1068051439.db2.gz HOLKHNWOGZVSMA-UHFFFAOYSA-N 0 0 452.518 4.548 20 30 JJEDRN CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001546131029 1068058027 /nfs/dbraw/zinc/05/80/27/1068058027.db2.gz MXJHTAIFFYMBOM-UHFFFAOYSA-N 0 0 464.614 4.843 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N[C@@H](Cc2cccnc2)C2CCCC2)nnc1-c1ccco1 ZINC001462448058 1068076253 /nfs/dbraw/zinc/07/62/53/1068076253.db2.gz NWTHUXMQBGUSQH-FQEVSTJZSA-N 0 0 451.596 4.519 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N[C@H](Cc2cccnc2)C2CCCC2)nnc1-c1ccco1 ZINC001462448075 1068076412 /nfs/dbraw/zinc/07/64/12/1068076412.db2.gz NWTHUXMQBGUSQH-HXUWFJFHSA-N 0 0 451.596 4.519 20 30 JJEDRN CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)c1cc(F)c(C(F)(F)F)cc1F ZINC001462543902 1068095565 /nfs/dbraw/zinc/09/55/65/1068095565.db2.gz KNFUPIJOENNLFI-UHFFFAOYSA-N 0 0 450.326 4.513 20 30 JJEDRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(CCC#N)CCOC)CCOCC1 ZINC001546132553 1068101803 /nfs/dbraw/zinc/10/18/03/1068101803.db2.gz MQBVPFWNMCHHDF-UHFFFAOYSA-N 0 0 466.413 4.825 20 30 JJEDRN O=C(NCCOC(F)(F)C(F)(F)F)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001462582661 1068103845 /nfs/dbraw/zinc/10/38/45/1068103845.db2.gz WWPORYXYQSCXNK-UHFFFAOYSA-N 0 0 451.207 4.878 20 30 JJEDRN N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)cc2)nc1 ZINC001462704355 1068137050 /nfs/dbraw/zinc/13/70/50/1068137050.db2.gz PQPDNCOBDHVHSK-LJQANCHMSA-N 0 0 450.292 4.762 20 30 JJEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(CCC)cc2)c1 ZINC001462740871 1068150628 /nfs/dbraw/zinc/15/06/28/1068150628.db2.gz SAJULZSBJWJECJ-QHCPKHFHSA-N 0 0 454.617 4.684 20 30 JJEDRN CCCCc1ccc([C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)c2cccs2)cc1 ZINC001462742914 1068151744 /nfs/dbraw/zinc/15/17/44/1068151744.db2.gz BGZPVFAIIYWYOG-JOCHJYFZSA-N 0 0 455.561 4.938 20 30 JJEDRN O=S(=O)(Oc1c(F)c(F)cc(F)c1F)c1cc(C(F)(F)F)ccc1Br ZINC001462764089 1068159466 /nfs/dbraw/zinc/15/94/66/1068159466.db2.gz KTSXKUMQBASGFB-UHFFFAOYSA-N 0 0 453.129 4.792 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC001462764951 1068159510 /nfs/dbraw/zinc/15/95/10/1068159510.db2.gz BWLNZFFWVCLKON-QFIPXVFZSA-N 0 0 454.517 4.709 20 30 JJEDRN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC001462793029 1068169101 /nfs/dbraw/zinc/16/91/01/1068169101.db2.gz JXGGRMSYPKNMNO-GOSISDBHSA-N 0 0 451.342 4.589 20 30 JJEDRN CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CCCC1 ZINC001546134129 1068170152 /nfs/dbraw/zinc/17/01/52/1068170152.db2.gz MSLSDZCYRXVURT-SFHVURJKSA-N 0 0 460.548 4.860 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)c1 ZINC001462813361 1068174511 /nfs/dbraw/zinc/17/45/11/1068174511.db2.gz LISFBJNSNPGSPH-UHFFFAOYSA-N 0 0 458.518 4.809 20 30 JJEDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC001462844055 1068187536 /nfs/dbraw/zinc/18/75/36/1068187536.db2.gz SBASINQSPDSFMK-IEBWSBKVSA-N 0 0 451.592 4.942 20 30 JJEDRN N#CCc1ccc(CS(=O)(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001462866446 1068196054 /nfs/dbraw/zinc/19/60/54/1068196054.db2.gz XREVIVFGDVARBD-UHFFFAOYSA-N 0 0 450.526 4.946 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1C(F)(F)F ZINC001462902588 1068209173 /nfs/dbraw/zinc/20/91/73/1068209173.db2.gz LENMZWBZYLPYQS-UHFFFAOYSA-N 0 0 452.404 4.923 20 30 JJEDRN CCOC(=O)c1oc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)nc1C(F)(F)F ZINC001462904834 1068210262 /nfs/dbraw/zinc/21/02/62/1068210262.db2.gz SHOKHNCDMCPXQQ-UHFFFAOYSA-N 0 0 459.380 4.573 20 30 JJEDRN COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)c2ccc(CC#N)cc2Cl)cc1 ZINC001462953002 1068227519 /nfs/dbraw/zinc/22/75/19/1068227519.db2.gz ZXSVIIUPERLNJJ-QFIPXVFZSA-N 0 0 458.942 4.816 20 30 JJEDRN CC(C)(C)c1ccc2c(c1)CCN(S(=O)(=O)c1cc(Br)c(C#N)cc1F)C2 ZINC001462966942 1068232336 /nfs/dbraw/zinc/23/23/36/1068232336.db2.gz MDXVHVIDNWTKFE-UHFFFAOYSA-N 0 0 451.361 4.504 20 30 JJEDRN COC(=O)c1cc(C2CCCCC2)sc1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC001462974031 1068234516 /nfs/dbraw/zinc/23/45/16/1068234516.db2.gz FCQUNHTYGDMIAC-UHFFFAOYSA-N 0 0 456.568 4.606 20 30 JJEDRN C=CCn1cc2ccc(NC(=O)[C@H](C)SCc3nc4sc(C)c(C)c4c(=O)[nH]3)cc2n1 ZINC001462996980 1068243876 /nfs/dbraw/zinc/24/38/76/1068243876.db2.gz HIFPUDJPBZOMHV-AWEZNQCLSA-N 0 0 453.593 4.810 20 30 JJEDRN CO[C@H](Cc1ccccc1)CS(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C ZINC001463022138 1068255244 /nfs/dbraw/zinc/25/52/44/1068255244.db2.gz ZOUMLEIFFWKNLQ-XMMPIXPASA-N 0 0 452.551 4.600 20 30 JJEDRN CN(Cc1cc(C#N)cs1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001463075304 1068278458 /nfs/dbraw/zinc/27/84/58/1068278458.db2.gz GAZOIEIGTNXOJK-KRWDZBQOSA-N 0 0 453.486 4.863 20 30 JJEDRN C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ccc(C)cc1Cl ZINC001463113011 1068291212 /nfs/dbraw/zinc/29/12/12/1068291212.db2.gz MZTQVMWOSNXQEV-QGZVFWFLSA-N 0 0 454.773 4.559 20 30 JJEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c1 ZINC001463113273 1068291726 /nfs/dbraw/zinc/29/17/26/1068291726.db2.gz MYPGHTKNTPQBJJ-UHFFFAOYSA-N 0 0 455.948 4.922 20 30 JJEDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC001463115146 1068292160 /nfs/dbraw/zinc/29/21/60/1068292160.db2.gz TWDXSJLFNKKCIH-UHFFFAOYSA-N 0 0 457.895 4.524 20 30 JJEDRN CCOC(=O)c1ccccc1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC001463116880 1068293329 /nfs/dbraw/zinc/29/33/29/1068293329.db2.gz ZFHQYGZOFQTCDY-UHFFFAOYSA-N 0 0 454.935 4.784 20 30 JJEDRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)cc1 ZINC001463146319 1068302004 /nfs/dbraw/zinc/30/20/04/1068302004.db2.gz HUAKVAQHEGIWCK-CLJLJLNGSA-N 0 0 459.571 4.772 20 30 JJEDRN O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463147643 1068302529 /nfs/dbraw/zinc/30/25/29/1068302529.db2.gz CYNMUGRRXCWOQK-UWVGGRQHSA-N 0 0 457.239 4.828 20 30 JJEDRN CCc1ccc([C@H]2C[C@H](C)CCN2S(=O)(=O)c2cc(Br)c(C#N)cc2F)o1 ZINC001463203944 1068319226 /nfs/dbraw/zinc/31/92/26/1068319226.db2.gz YKUNATGDCULDSP-SJKOYZFVSA-N 0 0 455.349 4.777 20 30 JJEDRN CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001463252234 1068335244 /nfs/dbraw/zinc/33/52/44/1068335244.db2.gz RGHKUDWSICQMSR-QHCPKHFHSA-N 0 0 455.530 4.961 20 30 JJEDRN C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(CC=C)c3ccccc3Cl)c2)cc1 ZINC001463280037 1068343270 /nfs/dbraw/zinc/34/32/70/1068343270.db2.gz DAZSWDTWFXDLLD-UHFFFAOYSA-N 0 0 450.947 4.955 20 30 JJEDRN N#Cc1cc(F)cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)c1 ZINC001463448827 1068400436 /nfs/dbraw/zinc/40/04/36/1068400436.db2.gz FPAULSUWCMTZRQ-UHFFFAOYSA-N 0 0 459.340 4.851 20 30 JJEDRN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001463598534 1068461062 /nfs/dbraw/zinc/46/10/62/1068461062.db2.gz KLLYXQKRNZMMKM-UHFFFAOYSA-N 0 0 459.358 4.911 20 30 JJEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1 ZINC001463602321 1068461751 /nfs/dbraw/zinc/46/17/51/1068461751.db2.gz JUPFZJGCQCZTKO-UHFFFAOYSA-N 0 0 457.752 4.624 20 30 JJEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC001463793554 1068526567 /nfs/dbraw/zinc/52/65/67/1068526567.db2.gz GLRLPNYZIYBVPG-FQEVSTJZSA-N 0 0 456.493 4.852 20 30 JJEDRN Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)nn1-c1ccc(Cl)cc1Cl ZINC001463798975 1068528500 /nfs/dbraw/zinc/52/85/00/1068528500.db2.gz XJUQWYRMXNTRSV-JOCHJYFZSA-N 0 0 454.361 4.510 20 30 JJEDRN N#CCCCn1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc21 ZINC001463801337 1068530097 /nfs/dbraw/zinc/53/00/97/1068530097.db2.gz BSYMSZJCEAGJNY-UHFFFAOYSA-N 0 0 454.496 4.922 20 30 JJEDRN N#Cc1ccc(CN2CCCN(C(=O)c3ccc(NC(=O)Nc4ccccc4)s3)CC2)cc1 ZINC001463839554 1068543510 /nfs/dbraw/zinc/54/35/10/1068543510.db2.gz WQRPPVAQSSWURR-UHFFFAOYSA-N 0 0 459.575 4.612 20 30 JJEDRN N#Cc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463902928 1068560659 /nfs/dbraw/zinc/56/06/59/1068560659.db2.gz GENVKTLWYXQWOM-KRWDZBQOSA-N 0 0 459.287 4.695 20 30 JJEDRN N#Cc1ccnc(N2CCN(C(=O)c3ccccc3Nc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001463913686 1068563666 /nfs/dbraw/zinc/56/36/66/1068563666.db2.gz KLXXJWFGRSMSHQ-UHFFFAOYSA-N 0 0 452.345 4.966 20 30 JJEDRN CCc1cc(Br)cc2c1N(S(=O)(=O)c1ccc(CC#N)cc1Cl)CCC2 ZINC001463933669 1068569481 /nfs/dbraw/zinc/56/94/81/1068569481.db2.gz VKQAGAVNSPWSKM-UHFFFAOYSA-N 0 0 453.789 4.872 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC001463934373 1068570101 /nfs/dbraw/zinc/57/01/01/1068570101.db2.gz IJNNQAGAZKOCMC-ZDUSSCGKSA-N 0 0 456.873 4.836 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001463934413 1068570191 /nfs/dbraw/zinc/57/01/91/1068570191.db2.gz JBTCKXIJZIHJCZ-LBPRGKRZSA-N 0 0 452.376 4.707 20 30 JJEDRN O=S(=O)(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463972992 1068579029 /nfs/dbraw/zinc/57/90/29/1068579029.db2.gz CUODPXYTBMFGJO-ZYHUDNBSSA-N 0 0 459.330 4.503 20 30 JJEDRN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC001463988601 1068581955 /nfs/dbraw/zinc/58/19/55/1068581955.db2.gz HVCONLOYQOHEOX-KRWDZBQOSA-N 0 0 458.889 4.937 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)NC2(c3ccccc3Br)CCC2)cc1C(F)(F)F ZINC001463997264 1068583703 /nfs/dbraw/zinc/58/37/03/1068583703.db2.gz BNMSVIUXPNBYNB-UHFFFAOYSA-N 0 0 459.287 4.697 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC001464002445 1068585556 /nfs/dbraw/zinc/58/55/56/1068585556.db2.gz CTWUABOIUAZNIJ-UHFFFAOYSA-N 0 0 457.505 4.786 20 30 JJEDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1ccc(Br)cc1)O[C@@H](C)C2 ZINC001464015027 1068589508 /nfs/dbraw/zinc/58/95/08/1068589508.db2.gz GLOGDWXXOXFUEY-SOUCHZLYSA-N 0 0 455.352 4.656 20 30 JJEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC001464027363 1068592908 /nfs/dbraw/zinc/59/29/08/1068592908.db2.gz MDDGAIKXPFXJSR-UHFFFAOYSA-N 0 0 459.933 4.992 20 30 JJEDRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(C#N)c1 ZINC001464068060 1068604233 /nfs/dbraw/zinc/60/42/33/1068604233.db2.gz OULJRBPFGVRETH-NRFANRHFSA-N 0 0 453.542 4.739 20 30 JJEDRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC001464076004 1068606997 /nfs/dbraw/zinc/60/69/97/1068606997.db2.gz XJFMGCNSWRQKBM-UHFFFAOYSA-N 0 0 454.596 4.710 20 30 JJEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1C ZINC001464126993 1068625036 /nfs/dbraw/zinc/62/50/36/1068625036.db2.gz AXLNOHFYUFUREL-MAUKXSAKSA-N 0 0 453.571 4.591 20 30 JJEDRN CC(C)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c(O)c(C(C)C)c1 ZINC001464260676 1068679229 /nfs/dbraw/zinc/67/92/29/1068679229.db2.gz OEVRUTLMGKWXAW-XTCLZLMSSA-N 0 0 457.596 4.704 20 30 JJEDRN Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC001464274322 1068685560 /nfs/dbraw/zinc/68/55/60/1068685560.db2.gz UXHFUZLUGUCZAB-QYQHSDTDSA-N 0 0 456.612 4.518 20 30 JJEDRN N#Cc1ccc(Cc2cnc(NC(=O)c3cccc4nc[nH]c(=O)c43)s2)c(C(F)(F)F)c1 ZINC001464289322 1068692760 /nfs/dbraw/zinc/69/27/60/1068692760.db2.gz CUOHLQGQWGORPN-UHFFFAOYSA-N 0 0 455.421 4.525 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncc(Cc4ccc(C)c(F)c4)s3)n[nH]2)c1C ZINC001464289021 1068692802 /nfs/dbraw/zinc/69/28/02/1068692802.db2.gz BKBUSRPZWQXEAE-UHFFFAOYSA-N 0 0 450.543 4.823 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC001464296792 1068695640 /nfs/dbraw/zinc/69/56/40/1068695640.db2.gz KURNRAUOISEMAK-UHFFFAOYSA-N 0 0 454.527 4.724 20 30 JJEDRN Cc1cc(Cc2cnc(NC(=O)C#Cc3ccc4c(c3)OCO4)s2)ccc1Br ZINC001464299488 1068697062 /nfs/dbraw/zinc/69/70/62/1068697062.db2.gz XMSKHBUFVSUYRF-UHFFFAOYSA-N 0 0 455.333 4.524 20 30 JJEDRN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC001464394742 1068730247 /nfs/dbraw/zinc/73/02/47/1068730247.db2.gz OKFSLHPNCWJTLJ-HNNXBMFYSA-N 0 0 455.324 4.556 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncc(Cc4ccc(F)cc4F)s3)n[nH]2)c1C ZINC001464414951 1068738135 /nfs/dbraw/zinc/73/81/35/1068738135.db2.gz GUGSPOIIOGINNV-UHFFFAOYSA-N 0 0 454.506 4.654 20 30 JJEDRN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)C1 ZINC001546147018 1068748993 /nfs/dbraw/zinc/74/89/93/1068748993.db2.gz HDRQWZPWIZLJSF-MRXNPFEDSA-N 0 0 456.359 4.692 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)C2)C1 ZINC001546147624 1068772924 /nfs/dbraw/zinc/77/29/24/1068772924.db2.gz SHMQOUOROYSHRW-JKNUKTDSSA-N 0 0 455.574 4.709 20 30 JJEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C ZINC001464552418 1068779668 /nfs/dbraw/zinc/77/96/68/1068779668.db2.gz ZENCHMRUCAWIOW-LJQANCHMSA-N 0 0 450.583 4.970 20 30 JJEDRN CCN(Cc1ccccc1Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC001464585500 1068791967 /nfs/dbraw/zinc/79/19/67/1068791967.db2.gz MIDGXBASZCKWEV-HNNXBMFYSA-N 0 0 456.395 4.944 20 30 JJEDRN O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001464587426 1068792076 /nfs/dbraw/zinc/79/20/76/1068792076.db2.gz QJGYPRCYGROXKE-UHFFFAOYSA-N 0 0 452.326 4.832 20 30 JJEDRN C#CCN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001464649451 1068810898 /nfs/dbraw/zinc/81/08/98/1068810898.db2.gz MBVKYWOSRANCCR-QGZVFWFLSA-N 0 0 452.517 4.724 20 30 JJEDRN CCCC[C@H](ON=C(C)C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001464705706 1068832015 /nfs/dbraw/zinc/83/20/15/1068832015.db2.gz ACFZSCYBXORVMU-IBGZPJMESA-N 0 0 452.393 4.597 20 30 JJEDRN Cc1cccc(C)c1-n1c2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2c2ccccc2c1=O ZINC000021259351 195292405 /nfs/dbraw/zinc/29/24/05/195292405.db2.gz RGVYXAZAODJMCH-SFHVURJKSA-N 0 0 494.580 4.641 20 30 JJEDRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3cc(Cl)ncc3C#N)CC2)c2ccccc21 ZINC001164632973 719140585 /nfs/dbraw/zinc/14/05/85/719140585.db2.gz QRAVDYVKIFPTEQ-OAQYLSRUSA-N 0 0 488.966 4.629 20 30 JJEDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]3O2)n1 ZINC001164650618 719301779 /nfs/dbraw/zinc/30/17/79/719301779.db2.gz JULUMFVRGWIDEJ-FFZOFVMBSA-N 0 0 471.895 4.867 20 30 JJEDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164664139 719349978 /nfs/dbraw/zinc/34/99/78/719349978.db2.gz SFEXMPKRGNVRDX-UHFFFAOYSA-N 0 0 482.966 4.846 20 30 JJEDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2 ZINC001164658440 719350425 /nfs/dbraw/zinc/35/04/25/719350425.db2.gz HAGFPCWDMOQZTP-UHFFFAOYSA-N 0 0 482.966 4.846 20 30 JJEDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164659503 719353587 /nfs/dbraw/zinc/35/35/87/719353587.db2.gz PMDZBMPRHCVMOX-UHFFFAOYSA-N 0 0 452.606 4.527 20 30 JJEDRN CCOC[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)Cc2nn(CC3CC3)cc21 ZINC001164665544 719362801 /nfs/dbraw/zinc/36/28/01/719362801.db2.gz YVACBQBHTMFHNQ-ZDUSSCGKSA-N 0 0 456.324 4.552 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC(=O)N4Cc3cccnc3)cnc2Cl)cc1 ZINC001164691150 719777684 /nfs/dbraw/zinc/77/76/84/719777684.db2.gz MOKZTCPZTZJMMD-YADHBBJMSA-N 0 0 479.918 4.593 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4[C@@H]3CC(=O)N4Cc3cccnc3)cc2c1Cl ZINC001164692504 719778592 /nfs/dbraw/zinc/77/85/92/719778592.db2.gz UIHHSNKMTBPRGS-OALUTQOASA-N 0 0 488.325 4.733 20 30 JJEDRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)[C@@H]3CCCO[C@H]23)cs1 ZINC001164825931 720387077 /nfs/dbraw/zinc/38/70/77/720387077.db2.gz VXMWUXOHMBFZPH-INMHGKMJSA-N 0 0 475.348 4.523 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734984 720536306 /nfs/dbraw/zinc/53/63/06/720536306.db2.gz MATISAFLRUZIQM-VBKZILBWSA-N 0 0 469.319 4.654 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC001164843424 720744910 /nfs/dbraw/zinc/74/49/10/720744910.db2.gz JLVXXUZXXUDONK-UHFFFAOYSA-N 0 0 482.918 4.939 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC001164843928 720744933 /nfs/dbraw/zinc/74/49/33/720744933.db2.gz MQVZYTVJTIQXRE-UHFFFAOYSA-N 0 0 482.918 4.939 20 30 JJEDRN CC[C@H]1N(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)CCC[C@@]12CCC(=O)N2 ZINC001164844710 720760701 /nfs/dbraw/zinc/76/07/01/720760701.db2.gz COPCROMQICPNIA-OXQOHEQNSA-N 0 0 453.320 4.986 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@@H]43)cc2c1Cl ZINC001164763045 721011465 /nfs/dbraw/zinc/01/14/65/721011465.db2.gz XDBZKDXSYMATRF-HOJAQTOUSA-N 0 0 491.325 4.774 20 30 JJEDRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)n1 ZINC001164774942 721057543 /nfs/dbraw/zinc/05/75/43/721057543.db2.gz ZLMLYHOQXSUKIM-GOTSBHOMSA-N 0 0 493.945 4.902 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164769280 721059697 /nfs/dbraw/zinc/05/96/97/721059697.db2.gz JAFUYCWCWUCHOD-MBSDFSHPSA-N 0 0 475.923 4.871 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164769283 721059856 /nfs/dbraw/zinc/05/98/56/721059856.db2.gz JAFUYCWCWUCHOD-WZONZLPQSA-N 0 0 475.923 4.871 20 30 JJEDRN COc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3csc(C)n3)C2)c(C#N)c(Cl)n1 ZINC001164784503 721444530 /nfs/dbraw/zinc/44/45/30/721444530.db2.gz QHHYWUWVDWRZLN-VFNWGFHPSA-N 0 0 498.983 4.517 20 30 JJEDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)CC[C@@H]21 ZINC001164889897 721468129 /nfs/dbraw/zinc/46/81/29/721468129.db2.gz IWBCJBLCLUPCMB-RXVVDRJESA-N 0 0 458.940 4.902 20 30 JJEDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)CC[C@H]21 ZINC001164889907 721468212 /nfs/dbraw/zinc/46/82/12/721468212.db2.gz IWBCJBLCLUPCMB-WIYYLYMNSA-N 0 0 458.940 4.902 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](Cn4cccn4)C3)cnc2Cl)cc1 ZINC001164898046 721488089 /nfs/dbraw/zinc/48/80/89/721488089.db2.gz VCFIJDRCIGKVBW-SFHVURJKSA-N 0 0 479.922 4.548 20 30 JJEDRN N#Cc1ccc(C(F)(F)N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)nc1Cl ZINC001164802695 721605496 /nfs/dbraw/zinc/60/54/96/721605496.db2.gz SUVOOEKCUKVGFH-HXUWFJFHSA-N 0 0 480.302 4.559 20 30 JJEDRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2 ZINC001165011434 721722410 /nfs/dbraw/zinc/72/24/10/721722410.db2.gz QDSHIZHHCAUOCX-UHFFFAOYSA-N 0 0 485.970 4.661 20 30 JJEDRN Cc1ccc([C@H](C#N)c2ccc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910027 721745433 /nfs/dbraw/zinc/74/54/33/721745433.db2.gz YNTDYZZZKZPJQT-SANMLTNESA-N 0 0 464.573 4.623 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCC[C@]4(CCN(c5cncnc5)C4=O)C3)cnc2Cl)cc1 ZINC001165019364 721785838 /nfs/dbraw/zinc/78/58/38/721785838.db2.gz KMFZGSVUJWYYQZ-DEOSSOPVSA-N 0 0 494.933 4.632 20 30 JJEDRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)CC1 ZINC001164918730 721822151 /nfs/dbraw/zinc/82/21/51/721822151.db2.gz HMHAQXHXLSLIRE-UHFFFAOYSA-N 0 0 491.373 4.904 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)cnc2Cl)c1 ZINC001164920368 721841390 /nfs/dbraw/zinc/84/13/90/721841390.db2.gz JBICEZQNNPDIOA-BWKNWUBXSA-N 0 0 496.945 4.883 20 30 JJEDRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]21 ZINC001164952508 722003042 /nfs/dbraw/zinc/00/30/42/722003042.db2.gz MYLBIFMCMFQLHE-ZFWWWQNUSA-N 0 0 460.315 4.982 20 30 JJEDRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164952039 722005978 /nfs/dbraw/zinc/00/59/78/722005978.db2.gz JZCBUYFXLPZOQG-UHFFFAOYSA-N 0 0 475.330 4.930 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)cnc2Cl)c1 ZINC001164961544 722035640 /nfs/dbraw/zinc/03/56/40/722035640.db2.gz WIBDZRHOKJMKFU-RCZVLFRGSA-N 0 0 493.945 4.746 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@H]4C3)cnc2Cl)c1 ZINC001164958659 722049509 /nfs/dbraw/zinc/04/95/09/722049509.db2.gz PBMSNOYWBDTHJZ-XLIONFOSSA-N 0 0 468.891 4.762 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001164977613 722091133 /nfs/dbraw/zinc/09/11/33/722091133.db2.gz VABAWFYKXKSYGR-CQSZACIVSA-N 0 0 457.352 4.718 20 30 JJEDRN N#Cc1ccc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)nc1Cl ZINC001164973119 722160760 /nfs/dbraw/zinc/16/07/60/722160760.db2.gz LHIASRPALVSHHJ-UHFFFAOYSA-N 0 0 456.924 4.836 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)CCO2 ZINC001164978683 722169953 /nfs/dbraw/zinc/16/99/53/722169953.db2.gz RQSNOSBRAWXSHU-JPYJTQIMSA-N 0 0 479.955 4.929 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)CCO2 ZINC001164978145 722170072 /nfs/dbraw/zinc/17/00/72/722170072.db2.gz QVOACJUHUMGHKZ-XXBNENTESA-N 0 0 474.939 4.792 20 30 JJEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)CC[C@@H]32)cs1 ZINC001164990247 722186648 /nfs/dbraw/zinc/18/66/48/722186648.db2.gz RCZUWBDYEZMPSK-LEWJYISDSA-N 0 0 471.989 4.534 20 30 JJEDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)CC[C@H]32)cs1 ZINC001164990255 722186702 /nfs/dbraw/zinc/18/67/02/722186702.db2.gz RCZUWBDYEZMPSK-RTWAWAEBSA-N 0 0 471.989 4.534 20 30 JJEDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5ccc(C)cc5c(Cl)c4C#N)CC[C@H]32)cs1 ZINC001164990334 722186792 /nfs/dbraw/zinc/18/67/92/722186792.db2.gz LRAUQVXKLUWIRQ-YADHBBJMSA-N 0 0 468.026 4.703 20 30 JJEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5ccc(C)cc5c(Cl)c4C#N)CC[C@@H]32)cs1 ZINC001164990330 722186815 /nfs/dbraw/zinc/18/68/15/722186815.db2.gz LRAUQVXKLUWIRQ-FCHUYYIVSA-N 0 0 468.026 4.703 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001165000725 722221401 /nfs/dbraw/zinc/22/14/01/722221401.db2.gz YGGZTXBHRZJPEV-NRFANRHFSA-N 0 0 456.924 4.732 20 30 JJEDRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007897 722273467 /nfs/dbraw/zinc/27/34/67/722273467.db2.gz GPYGJBNZZCNWOV-PJUBBZNESA-N 0 0 496.345 4.603 20 30 JJEDRN CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCSc1nccs1 ZINC001359712335 1064261115 /nfs/dbraw/zinc/26/11/15/1064261115.db2.gz OLJHOEMKPWOWEQ-UHFFFAOYSA-N 0 0 467.668 4.629 20 30 JJEDRN CC(C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359718760 1064266147 /nfs/dbraw/zinc/26/61/47/1064266147.db2.gz QNTYSTMGQFUAPJ-KBPBESRZSA-N 0 0 459.454 4.718 20 30 JJEDRN CC(C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359719677 1064267507 /nfs/dbraw/zinc/26/75/07/1064267507.db2.gz TUFJDFAPCBPOIA-INIZCTEOSA-N 0 0 467.433 4.707 20 30 JJEDRN C=CCOc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)c1 ZINC001434867539 1064305176 /nfs/dbraw/zinc/30/51/76/1064305176.db2.gz BVBVPDMODWAURY-KRWDZBQOSA-N 0 0 457.368 4.813 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359739767 1064308488 /nfs/dbraw/zinc/30/84/88/1064308488.db2.gz DZWSLJBEQSKZHP-NRFANRHFSA-N 0 0 484.526 4.878 20 30 JJEDRN CC(C)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)CC1 ZINC001359742904 1064312786 /nfs/dbraw/zinc/31/27/86/1064312786.db2.gz WWCMFAFOSLSEGQ-HXUWFJFHSA-N 0 0 482.629 4.778 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CCCCC2)C1 ZINC001359745327 1064318805 /nfs/dbraw/zinc/31/88/05/1064318805.db2.gz GKZOMONMOXEOEV-LVXARBLLSA-N 0 0 451.615 4.542 20 30 JJEDRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CCCCC2)C1 ZINC001359745328 1064318883 /nfs/dbraw/zinc/31/88/83/1064318883.db2.gz GKZOMONMOXEOEV-QFQXNSOFSA-N 0 0 451.615 4.542 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@H]2C(C)C)CCS1 ZINC001359747979 1064331899 /nfs/dbraw/zinc/33/18/99/1064331899.db2.gz MGJGWRYCYVCVTO-VJBWXMMDSA-N 0 0 453.656 4.846 20 30 JJEDRN Cc1c(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cnn1CCC#N ZINC001434908498 1064335188 /nfs/dbraw/zinc/33/51/88/1064335188.db2.gz TXZHXCNGQOUQAD-UHFFFAOYSA-N 0 0 458.953 4.584 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC001434912139 1064339059 /nfs/dbraw/zinc/33/90/59/1064339059.db2.gz ULYJCIXSVDEYBG-NHCUHLMSSA-N 0 0 451.571 4.725 20 30 JJEDRN CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 ZINC001359754729 1064345583 /nfs/dbraw/zinc/34/55/83/1064345583.db2.gz KXYOVWKVOLUCEO-IFMALSPDSA-N 0 0 473.568 4.806 20 30 JJEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC(=O)N(CCCC)[C@H]1c1ccccc1OC ZINC001434920142 1064347253 /nfs/dbraw/zinc/34/72/53/1064347253.db2.gz PWFKQZFTLHMCKK-SQHAQQRYSA-N 0 0 459.590 4.861 20 30 JJEDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)(C#N)CC1 ZINC001359755493 1064349515 /nfs/dbraw/zinc/34/95/15/1064349515.db2.gz AVDONUHIDPKWCF-QUCCMNQESA-N 0 0 459.541 4.738 20 30 JJEDRN N#CCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1 ZINC001434951471 1064372799 /nfs/dbraw/zinc/37/27/99/1064372799.db2.gz ZURQCCRYCQWZEQ-UHFFFAOYSA-N 0 0 459.933 4.903 20 30 JJEDRN C=CCN(CCc1ccccc1)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001434953854 1064373524 /nfs/dbraw/zinc/37/35/24/1064373524.db2.gz PXVYVYVFBHATKL-RUZDIDTESA-N 0 0 453.539 4.592 20 30 JJEDRN CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359763182 1064378790 /nfs/dbraw/zinc/37/87/90/1064378790.db2.gz GQQFDXKDIJJMCQ-RSEQLOHWSA-N 0 0 451.615 4.805 20 30 JJEDRN N#Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)cnc1C(F)(F)F ZINC001434964873 1064380642 /nfs/dbraw/zinc/38/06/42/1064380642.db2.gz VYTWPDDKUWZDLL-HXUWFJFHSA-N 0 0 450.420 4.572 20 30 JJEDRN Cc1ccc(Sc2ccc(C(=O)N3CCN(c4ccccc4C#N)CC3)cc2[N+](=O)[O-])cc1 ZINC001434979570 1064396319 /nfs/dbraw/zinc/39/63/19/1064396319.db2.gz YGMUXCNICWYDRO-UHFFFAOYSA-N 0 0 458.543 4.889 20 30 JJEDRN CC1(C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001434984579 1064401129 /nfs/dbraw/zinc/40/11/29/1064401129.db2.gz BHRADISCIRPTHQ-UHFFFAOYSA-N 0 0 455.349 4.691 20 30 JJEDRN N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)c1 ZINC001434996351 1064410959 /nfs/dbraw/zinc/41/09/59/1064410959.db2.gz IXHUWYGWKIKDDB-UHFFFAOYSA-N 0 0 453.420 4.568 20 30 JJEDRN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC001434997726 1064412853 /nfs/dbraw/zinc/41/28/53/1064412853.db2.gz MJHJZNOTRULEMH-UHFFFAOYSA-N 0 0 452.894 4.960 20 30 JJEDRN CC(C)CC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001359774208 1064414711 /nfs/dbraw/zinc/41/47/11/1064414711.db2.gz LIBXHYZGSOHLNS-KBMIEXCESA-N 0 0 474.625 4.661 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccccc1NC(=O)c1cccs1 ZINC001435000200 1064414612 /nfs/dbraw/zinc/41/46/12/1064414612.db2.gz ZJOPLKGUMNYMMH-GOSISDBHSA-N 0 0 456.568 4.916 20 30 JJEDRN COCc1nnc(-c2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2)o1 ZINC001435007273 1064422658 /nfs/dbraw/zinc/42/26/58/1064422658.db2.gz AOQLCNVGNJUBOC-UHFFFAOYSA-N 0 0 458.449 4.725 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC001435010091 1064425098 /nfs/dbraw/zinc/42/50/98/1064425098.db2.gz YUIFCXGBQLLLRM-IBGZPJMESA-N 0 0 451.498 4.828 20 30 JJEDRN CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001435010889 1064426059 /nfs/dbraw/zinc/42/60/59/1064426059.db2.gz QWYWEIOYZNOGPF-UHFFFAOYSA-N 0 0 457.505 4.866 20 30 JJEDRN CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001359779934 1064427058 /nfs/dbraw/zinc/42/70/58/1064427058.db2.gz DIHYQVOYUWFXQR-UHFFFAOYSA-N 0 0 471.531 4.901 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)Nc3cc(Br)ccc3Cl)CC2=O)cc1Cl 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KIYNPUISRZTLKE-UHFFFAOYSA-N 0 0 450.542 4.728 20 30 JJEDRN N#Cc1cccc(OCc2cccc(C(=O)N(CC(=O)N3CCCCC3)c3ccccc3)c2)c1 ZINC001435123347 1064529286 /nfs/dbraw/zinc/52/92/86/1064529286.db2.gz PWRLOAZNEJYSRA-UHFFFAOYSA-N 0 0 453.542 4.797 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)ccc1OC ZINC001435133472 1064537801 /nfs/dbraw/zinc/53/78/01/1064537801.db2.gz HTJIZDMFWJLQDV-JOCHJYFZSA-N 0 0 458.514 4.546 20 30 JJEDRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(F)c1OC(F)(F)F ZINC001435168752 1064564263 /nfs/dbraw/zinc/56/42/63/1064564263.db2.gz BZVBKZAHRBAHMC-LLVKDONJSA-N 0 0 452.326 4.632 20 30 JJEDRN C#CCN(C(=O)c1ccc(OC(=O)OCC)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435176173 1064569271 /nfs/dbraw/zinc/56/92/71/1064569271.db2.gz SOMXCKOUEBPYEW-LJQANCHMSA-N 0 0 458.308 4.584 20 30 JJEDRN C#CCN(C(=O)Cc1cccc(OC/C=C\C)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435175981 1064569463 /nfs/dbraw/zinc/56/94/63/1064569463.db2.gz PDSGUVOFTABTJE-HLPUOXPYSA-N 0 0 454.364 4.932 20 30 JJEDRN 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CC(C)Oc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(C#N)cc2)cn1 ZINC001360360270 1065213864 /nfs/dbraw/zinc/21/38/64/1065213864.db2.gz RVLLBSOIWWSJAM-ILBGXUMGSA-N 0 0 488.636 4.935 20 30 JJEDRN Cc1c(C#N)cccc1C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001436157437 1065219860 /nfs/dbraw/zinc/21/98/60/1065219860.db2.gz RHDBUWSIFLFVPK-UHFFFAOYSA-N 0 0 451.324 4.699 20 30 JJEDRN CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC1 ZINC001360368018 1065227923 /nfs/dbraw/zinc/22/79/23/1065227923.db2.gz QTNSNFWZMVRWQM-UHFFFAOYSA-N 0 0 472.014 4.886 20 30 JJEDRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC001360370057 1065228899 /nfs/dbraw/zinc/22/88/99/1065228899.db2.gz CTXFZJLZQHYDIX-ACRUOGEOSA-N 0 0 477.531 4.741 20 30 JJEDRN CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cscc2C(F)(F)F)CCO1 ZINC001360370511 1065229564 /nfs/dbraw/zinc/22/95/64/1065229564.db2.gz MQUNCHYZWRTBQZ-IBGZPJMESA-N 0 0 491.539 4.576 20 30 JJEDRN CN1C(=O)CC[C@H](C(=O)Nc2cc(C#N)c3ccccc3n2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001436180607 1065232612 /nfs/dbraw/zinc/23/26/12/1065232612.db2.gz AXFHFNAOOQANEA-AVRDEDQJSA-N 0 0 452.436 4.673 20 30 JJEDRN CN1C(=O)CC[C@@H](C(=O)Nc2cc(C#N)c3ccccc3n2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001436180608 1065232682 /nfs/dbraw/zinc/23/26/82/1065232682.db2.gz AXFHFNAOOQANEA-GCJKJVERSA-N 0 0 452.436 4.673 20 30 JJEDRN C#CCOc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 ZINC001360374298 1065232804 /nfs/dbraw/zinc/23/28/04/1065232804.db2.gz VLYKMEYSETXCTB-LJQANCHMSA-N 0 0 459.340 4.666 20 30 JJEDRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001436182909 1065234507 /nfs/dbraw/zinc/23/45/07/1065234507.db2.gz SPKFGAHETWLUPL-UHFFFAOYSA-N 0 0 458.489 4.835 20 30 JJEDRN N#Cc1ccc(OC2CCN(C(=O)c3nccc4c(Br)cccc43)CC2)c(F)c1 ZINC001436183110 1065235209 /nfs/dbraw/zinc/23/52/09/1065235209.db2.gz UDPHXRUPZDDQGJ-UHFFFAOYSA-N 0 0 454.299 4.692 20 30 JJEDRN CC(C)OCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC(CC#N)CC1 ZINC001360380116 1065241567 /nfs/dbraw/zinc/24/15/67/1065241567.db2.gz NQLFEJNLQXPDEX-UHFFFAOYSA-N 0 0 491.640 4.571 20 30 JJEDRN COc1ccc(Br)cc1C1(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC001436210866 1065253710 /nfs/dbraw/zinc/25/37/10/1065253710.db2.gz CHDUWZDISFLXOV-UHFFFAOYSA-N 0 0 450.130 4.762 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001360401445 1065265605 /nfs/dbraw/zinc/26/56/05/1065265605.db2.gz ZZYZESGUVDYMRQ-QUCCMNQESA-N 0 0 453.539 4.544 20 30 JJEDRN C#Cc1ccc([C@H](OC(=O)c2cc3ccc(Br)cc3c(=O)o2)C(F)(F)F)cc1 ZINC001436238098 1065271388 /nfs/dbraw/zinc/27/13/88/1065271388.db2.gz ALLSUXZSXQWQLW-KRWDZBQOSA-N 0 0 451.194 4.997 20 30 JJEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)CCC2CCCCC2)cc1[N+](=O)[O-] ZINC001360410836 1065274471 /nfs/dbraw/zinc/27/44/71/1065274471.db2.gz DKXAICPNPZPSJL-KRWDZBQOSA-N 0 0 453.543 4.859 20 30 JJEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccccc2Br)CCCCC1 ZINC001436259148 1065278327 /nfs/dbraw/zinc/27/83/27/1065278327.db2.gz PSOTXDVVHKGTEP-UHFFFAOYSA-N 0 0 456.384 4.947 20 30 JJEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CCCCOc2cccc(C#N)c2)C2(CCCCC2)C1 ZINC001360417925 1065282822 /nfs/dbraw/zinc/28/28/22/1065282822.db2.gz RVOOQBAINHINJZ-UHFFFAOYSA-N 0 0 455.599 4.890 20 30 JJEDRN C=CCC1(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC001436346437 1065300145 /nfs/dbraw/zinc/30/01/45/1065300145.db2.gz SVMPZHIYAIGGBO-IFMALSPDSA-N 0 0 460.590 4.655 20 30 JJEDRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)cc1 ZINC001360429620 1065304318 /nfs/dbraw/zinc/30/43/18/1065304318.db2.gz SUENAMONWYXJGN-UHFFFAOYSA-N 0 0 450.491 4.563 20 30 JJEDRN N#CC1(c2ccc(C(=O)N3CC[C@H](Cc4cccc(I)c4)C3)cc2)CC1 ZINC001436369718 1065304585 /nfs/dbraw/zinc/30/45/85/1065304585.db2.gz VWVGYJUALBMNCS-QGZVFWFLSA-N 0 0 456.327 4.551 20 30 JJEDRN Cc1cc(COc2ccc(C(=O)N3CCCc4cc(C#N)ccc43)cc2Br)on1 ZINC001436398298 1065309740 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LODNGWIWUXRCEV-HOTGVXAUSA-N 0 0 454.452 4.971 20 30 JJEDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360461431 1065367284 /nfs/dbraw/zinc/36/72/84/1065367284.db2.gz UYHLOIBSJNFKEA-KRWDZBQOSA-N 0 0 478.622 4.943 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCOc1ccccc1Cl ZINC001360469651 1065385355 /nfs/dbraw/zinc/38/53/55/1065385355.db2.gz FYFRIAGDPGSHCY-CQSZACIVSA-N 0 0 477.794 4.517 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1C(F)(F)F ZINC001360469623 1065385372 /nfs/dbraw/zinc/38/53/72/1065385372.db2.gz FVLZSLODQHVZAC-CYBMUJFWSA-N 0 0 481.320 4.852 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001360469480 1065385388 /nfs/dbraw/zinc/38/53/88/1065385388.db2.gz COCGQMGDIDYPTK-MDZRGWNJSA-N 0 0 477.451 4.626 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC=CO1 ZINC001360469765 1065385525 /nfs/dbraw/zinc/38/55/25/1065385525.db2.gz GZLLSBLHFHCCHU-DZGCQCFKSA-N 0 0 450.768 4.792 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCCC1(C)C ZINC001360469872 1065386193 /nfs/dbraw/zinc/38/61/93/1065386193.db2.gz IRHNTSBTDINDNH-BCHFMIIMSA-N 0 0 463.582 4.797 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCCS1(=O)=O ZINC001360470128 1065386773 /nfs/dbraw/zinc/38/67/73/1065386773.db2.gz LQMFZSIDFVLBJA-VQIMIIECSA-N 0 0 487.626 4.518 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1cccs1 ZINC001360470980 1065390163 /nfs/dbraw/zinc/39/01/63/1065390163.db2.gz YNFSACWLRGSRCK-RNODOKPDSA-N 0 0 450.395 4.959 20 30 JJEDRN COC(=O)C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccc2ccccc21 ZINC001436597069 1065390932 /nfs/dbraw/zinc/39/09/32/1065390932.db2.gz PGLHCHJAXIGIJU-XMMPIXPASA-N 0 0 454.482 4.918 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cccnc1OCC(F)(F)F ZINC001360471108 1065390904 /nfs/dbraw/zinc/39/09/04/1065390904.db2.gz BAXFUAPZDZSWOP-MRXNPFEDSA-N 0 0 481.482 4.616 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cccc3cccnc32)n1Cc1nc(C(F)(F)F)cs1 ZINC001360471081 1065391034 /nfs/dbraw/zinc/39/10/34/1065391034.db2.gz AKNKSNJFFSYPJP-CYBMUJFWSA-N 0 0 457.485 4.755 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(C)OCCc2sccc21 ZINC001360471471 1065391592 /nfs/dbraw/zinc/39/15/92/1065391592.db2.gz IPGZQOHQHXKFGU-OYHNWAKOSA-N 0 0 486.439 4.996 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1C[C@]1(C)OCCc2sccc21 ZINC001360471470 1065391671 /nfs/dbraw/zinc/39/16/71/1065391671.db2.gz IPGZQOHQHXKFGU-NYHFZMIOSA-N 0 0 486.439 4.996 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCOC[C@@H]1CCCO1 ZINC001360471518 1065391695 /nfs/dbraw/zinc/39/16/95/1065391695.db2.gz JBAKAWRJIYPLMM-WBVHZDCISA-N 0 0 452.386 4.576 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001360474206 1065393485 /nfs/dbraw/zinc/39/34/85/1065393485.db2.gz JIWCFLFANPABSY-SFHVURJKSA-N 0 0 477.613 4.575 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1cc(C(F)(F)F)ccn1 ZINC001360473941 1065393691 /nfs/dbraw/zinc/39/36/91/1065393691.db2.gz CWAOQUYMBVTVIS-INIZCTEOSA-N 0 0 467.499 4.832 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1ccc(F)c(F)c1 ZINC001360475703 1065394469 /nfs/dbraw/zinc/39/44/69/1065394469.db2.gz CSPFVWZHCYLOKH-KRWDZBQOSA-N 0 0 488.583 4.652 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(c2ccccn2)CCC1 ZINC001360475776 1065394739 /nfs/dbraw/zinc/39/47/39/1065394739.db2.gz DOVLWCFRKWWMEP-NHCUHLMSSA-N 0 0 493.656 4.648 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCc2ccccc21 ZINC001360477394 1065395216 /nfs/dbraw/zinc/39/52/16/1065395216.db2.gz ZJOGCOXYQSGCKY-FCEUIQTBSA-N 0 0 478.641 4.861 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)CCCO2 ZINC001360476241 1065395263 /nfs/dbraw/zinc/39/52/63/1065395263.db2.gz JBHMIJGPSGPUPZ-UGKGYDQZSA-N 0 0 494.640 4.504 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001360479048 1065396491 /nfs/dbraw/zinc/39/64/91/1065396491.db2.gz QDSDHVUQXUCDHY-YXTQBTIXSA-N 0 0 498.603 4.583 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001360479047 1065396506 /nfs/dbraw/zinc/39/65/06/1065396506.db2.gz QDSDHVUQXUCDHY-OZIGNCPNSA-N 0 0 498.603 4.583 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360480561 1065398972 /nfs/dbraw/zinc/39/89/72/1065398972.db2.gz BYEHDIUSFYQVEQ-DBXWQHBBSA-N 0 0 457.594 4.964 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001360480723 1065399761 /nfs/dbraw/zinc/39/97/61/1065399761.db2.gz GCIICFQSHUIMPY-FYYLOGMGSA-N 0 0 492.668 4.981 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccncc1Cl ZINC001360481613 1065401309 /nfs/dbraw/zinc/40/13/09/1065401309.db2.gz SSDOZVKUKKDQIW-KRWDZBQOSA-N 0 0 452.990 4.990 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccnc(OC(F)F)c1 ZINC001360481508 1065401347 /nfs/dbraw/zinc/40/13/47/1065401347.db2.gz QYKLKTGZYYFCCS-CYBMUJFWSA-N 0 0 497.333 4.947 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1nc2c(s1)CCCC2 ZINC001360483041 1065403047 /nfs/dbraw/zinc/40/30/47/1065403047.db2.gz QINSURBPEJOIEU-MJGOQNOKSA-N 0 0 499.685 4.666 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001360483038 1065403079 /nfs/dbraw/zinc/40/30/79/1065403079.db2.gz QHOSJDSFTOGCGL-POAQFYNOSA-N 0 0 488.583 4.947 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001360483302 1065403703 /nfs/dbraw/zinc/40/37/03/1065403703.db2.gz WBUNWCMYGYEYSY-IVAOSVALSA-N 0 0 488.677 4.930 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C/C=C/c1ccccc1 ZINC001360483716 1065404654 /nfs/dbraw/zinc/40/46/54/1065404654.db2.gz ZVWGDKOBGBBNOQ-PIFHUYKZSA-N 0 0 450.587 4.802 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)c1cn(C(C)(C)C)nc1Br ZINC001436641320 1065412949 /nfs/dbraw/zinc/41/29/49/1065412949.db2.gz JODMGQOVNSCCCT-UHFFFAOYSA-N 0 0 457.166 4.980 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001436641227 1065412979 /nfs/dbraw/zinc/41/29/79/1065412979.db2.gz GIXVCOALSRCZRJ-UHFFFAOYSA-N 0 0 453.314 4.905 20 30 JJEDRN C[C@H](Cc1cccs1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)(C#N)CC1 ZINC001360497426 1065414640 /nfs/dbraw/zinc/41/46/40/1065414640.db2.gz HNCQGUAVFVVLGX-QGZVFWFLSA-N 0 0 450.568 4.924 20 30 JJEDRN C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC001436645735 1065415821 /nfs/dbraw/zinc/41/58/21/1065415821.db2.gz UWHSJHWXSMFWPD-RTBURBONSA-N 0 0 450.432 4.901 20 30 JJEDRN C[C@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001360498415 1065417415 /nfs/dbraw/zinc/41/74/15/1065417415.db2.gz RUDQYZJBBSQERJ-GUXCAODWSA-N 0 0 475.540 4.913 20 30 JJEDRN C[C@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001360498683 1065418159 /nfs/dbraw/zinc/41/81/59/1065418159.db2.gz VTAJLVVZJKRBDX-QINHECLXSA-N 0 0 475.540 4.913 20 30 JJEDRN C#Cc1cccc(CNC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC001436732454 1065431961 /nfs/dbraw/zinc/43/19/61/1065431961.db2.gz CHKSZBYJSXPLKY-UHFFFAOYSA-N 0 0 452.432 4.634 20 30 JJEDRN CCOC(=O)c1c(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)c(C#N)cn1CC ZINC001436859054 1065454267 /nfs/dbraw/zinc/45/42/67/1065454267.db2.gz GQKOKUIKBDXTAT-UHFFFAOYSA-N 0 0 450.564 4.984 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC001436858157 1065454449 /nfs/dbraw/zinc/45/44/49/1065454449.db2.gz CNICEGIMQMHWFY-SFHVURJKSA-N 0 0 457.368 4.893 20 30 JJEDRN CCOC(=O)c1c(NC(=O)c2oc3c(cc(Br)cc3C)c2C)c(C#N)cn1CC ZINC001436864147 1065455790 /nfs/dbraw/zinc/45/57/90/1065455790.db2.gz UQBJLYAYTQJVNF-UHFFFAOYSA-N 0 0 458.312 4.934 20 30 JJEDRN CCCc1nc(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)nn1-c1ccccc1Cl ZINC001436866701 1065456497 /nfs/dbraw/zinc/45/64/97/1065456497.db2.gz KPXUWVRYLWFSTM-UHFFFAOYSA-N 0 0 456.937 4.987 20 30 JJEDRN N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-n3cc(Br)cn3)cc2)nc1 ZINC001436866309 1065456558 /nfs/dbraw/zinc/45/65/58/1065456558.db2.gz AYEFBBJPVOKLJY-UHFFFAOYSA-N 0 0 458.319 4.748 20 30 JJEDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)OC1CCCC1 ZINC001360513816 1065462780 /nfs/dbraw/zinc/46/27/80/1065462780.db2.gz ISJVYPSGOMQPIB-SFHVURJKSA-N 0 0 468.602 4.630 20 30 JJEDRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001360514944 1065470663 /nfs/dbraw/zinc/47/06/63/1065470663.db2.gz CJJJTGFFQSMABG-LJQANCHMSA-N 0 0 484.620 4.641 20 30 JJEDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1C ZINC001436939836 1065477583 /nfs/dbraw/zinc/47/75/83/1065477583.db2.gz XSPUWRDZDISYBX-QKKBWIMNSA-N 0 0 454.368 4.567 20 30 JJEDRN C[C@@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br)c1nccs1 ZINC001360519512 1065487438 /nfs/dbraw/zinc/48/74/38/1065487438.db2.gz ONBGNFYPDYROAZ-LBPRGKRZSA-N 0 0 467.343 4.501 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC001436985732 1065487774 /nfs/dbraw/zinc/48/77/74/1065487774.db2.gz CVIANFSMANUGRZ-INIZCTEOSA-N 0 0 459.468 4.690 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001437001911 1065492079 /nfs/dbraw/zinc/49/20/79/1065492079.db2.gz UDFJPUFSYHIOBI-LLVKDONJSA-N 0 0 456.218 4.931 20 30 JJEDRN N#CCOc1cccc(CC(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 ZINC001360523081 1065498290 /nfs/dbraw/zinc/49/82/90/1065498290.db2.gz RTUPBBHPARSKSR-UHFFFAOYSA-N 0 0 456.542 4.533 20 30 JJEDRN N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)cc2)nc1 ZINC001360522978 1065498305 /nfs/dbraw/zinc/49/83/05/1065498305.db2.gz PPDBTQIUPVOHHC-UHFFFAOYSA-N 0 0 454.236 4.773 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](F)C2)ccc1Cl ZINC001437074123 1065506370 /nfs/dbraw/zinc/50/63/70/1065506370.db2.gz OLGLJUXUDRKYOF-ROUUACIJSA-N 0 0 450.963 4.732 20 30 JJEDRN C#CCCOc1ccc(C(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)cc1 ZINC001360527305 1065507341 /nfs/dbraw/zinc/50/73/41/1065507341.db2.gz DYCCSVWGYKLRFF-UHFFFAOYSA-N 0 0 458.533 4.769 20 30 JJEDRN COc1ccc(C(=O)Oc2c(Br)cc(C#N)cc2Br)c(C)c1OC ZINC001437082977 1065507925 /nfs/dbraw/zinc/50/79/25/1065507925.db2.gz PSYUWPVSLXXHSG-UHFFFAOYSA-N 0 0 455.102 4.628 20 30 JJEDRN N#Cc1cc(Br)c(OC(=O)c2cccc([C@@H]3CCOC3)c2)c(Br)c1 ZINC001437080345 1065507991 /nfs/dbraw/zinc/50/79/91/1065507991.db2.gz COWGYAAESXHLHL-CQSZACIVSA-N 0 0 451.114 4.806 20 30 JJEDRN C[C@H](CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F)c1nccs1 ZINC001360530436 1065510945 /nfs/dbraw/zinc/51/09/45/1065510945.db2.gz YNVQQTNONNQRTC-CQSZACIVSA-N 0 0 482.557 4.678 20 30 JJEDRN C[C@@H](CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F)c1nccs1 ZINC001360530435 1065510957 /nfs/dbraw/zinc/51/09/57/1065510957.db2.gz YNVQQTNONNQRTC-AWEZNQCLSA-N 0 0 482.557 4.678 20 30 JJEDRN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)c(C#N)cn3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001437192044 1065518417 /nfs/dbraw/zinc/51/84/17/1065518417.db2.gz ZWAMURDMCBWDQD-BVAGGSTKSA-N 0 0 454.530 4.702 20 30 JJEDRN C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1)c1ccccc1 ZINC001360536145 1065518573 /nfs/dbraw/zinc/51/85/73/1065518573.db2.gz VGUSKZQCTVLYRX-QGZVFWFLSA-N 0 0 467.415 4.980 20 30 JJEDRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC001437260615 1065526560 /nfs/dbraw/zinc/52/65/60/1065526560.db2.gz CVVZVTCEKINGFC-JOCHJYFZSA-N 0 0 458.489 4.659 20 30 JJEDRN C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360541743 1065529232 /nfs/dbraw/zinc/52/92/32/1065529232.db2.gz SVYALCDTIMDYCR-DENIHFKCSA-N 0 0 496.656 4.856 20 30 JJEDRN Cc1cc(C)c(N2C[C@@H](C(=O)Nc3cnc(Oc4ccccc4C#N)cc3C)CC2=O)c(C)c1 ZINC001437345377 1065539315 /nfs/dbraw/zinc/53/93/15/1065539315.db2.gz DVNSAIAHGAEXSW-NRFANRHFSA-N 0 0 454.530 4.971 20 30 JJEDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cnc(Oc4ccccc4C#N)cc3C)C2)cc1 ZINC001437345433 1065539571 /nfs/dbraw/zinc/53/95/71/1065539571.db2.gz DZJWYEZFMRCTMI-JOCHJYFZSA-N 0 0 454.530 4.853 20 30 JJEDRN Cc1ccc(C)c(N2N=C(C(=O)Nc3cnc(Oc4ccccc4C#N)cc3C)CCC2=O)c1 ZINC001437351358 1065540892 /nfs/dbraw/zinc/54/08/92/1065540892.db2.gz TXLRLQJJUZIIIJ-UHFFFAOYSA-N 0 0 453.502 4.792 20 30 JJEDRN C#CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001360557365 1065546947 /nfs/dbraw/zinc/54/69/47/1065546947.db2.gz WBALOVWBBGQOAZ-FQEVSTJZSA-N 0 0 455.377 4.540 20 30 JJEDRN C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC001437438506 1065551971 /nfs/dbraw/zinc/55/19/71/1065551971.db2.gz CMTAARJYQBVELY-UHFFFAOYSA-N 0 0 457.983 4.525 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC001437449616 1065553547 /nfs/dbraw/zinc/55/35/47/1065553547.db2.gz FXQRNAJVHXLDAH-NRFANRHFSA-N 0 0 451.592 4.664 20 30 JJEDRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@](C)(C#N)C1)c1nccs1 ZINC001360564366 1065555041 /nfs/dbraw/zinc/55/50/41/1065555041.db2.gz PJDHFZDMZZBFEG-RRQZXNHTSA-N 0 0 499.685 4.783 20 30 JJEDRN C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@](C)(C#N)C1)c1nccs1 ZINC001360564360 1065555087 /nfs/dbraw/zinc/55/50/87/1065555087.db2.gz PJDHFZDMZZBFEG-HHJKRLRDSA-N 0 0 499.685 4.783 20 30 JJEDRN C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)Oc1cccc(F)c1 ZINC001360566022 1065556760 /nfs/dbraw/zinc/55/67/60/1065556760.db2.gz ZCTHJBHMQNFTAZ-KGLIPLIRSA-N 0 0 496.427 4.710 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)Nc1nc(Br)cc2ccccc21)c1ccccc1 ZINC001437522883 1065566555 /nfs/dbraw/zinc/56/65/55/1065566555.db2.gz BIOJWDNEIOFPAX-UHFFFAOYSA-N 0 0 451.324 4.663 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)Oc1ccccc1F ZINC001360590196 1065594977 /nfs/dbraw/zinc/59/49/77/1065594977.db2.gz FMJBEVBLOZFUGY-HBFSDRIKSA-N 0 0 486.592 4.695 20 30 JJEDRN 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ZINC001438002219 1065644163 /nfs/dbraw/zinc/64/41/63/1065644163.db2.gz SROQEQSMXRIMPR-UHFFFAOYSA-N 0 0 458.727 4.590 20 30 JJEDRN C[C@]1(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)COc2ccccc2O1 ZINC001438006980 1065645715 /nfs/dbraw/zinc/64/57/15/1065645715.db2.gz CTBMHQFUYODYCQ-KRWDZBQOSA-N 0 0 451.338 4.936 20 30 JJEDRN N#Cc1cc(F)c(C(=O)N2CCc3cc(Br)c(Br)cc3C2)c(F)c1 ZINC001438010589 1065646710 /nfs/dbraw/zinc/64/67/10/1065646710.db2.gz JYEYUUMCUMISIQ-UHFFFAOYSA-N 0 0 456.084 4.560 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC001438013282 1065648366 /nfs/dbraw/zinc/64/83/66/1065648366.db2.gz LERDNAFCEHVPLN-GNJLHFKMSA-N 0 0 450.377 4.556 20 30 JJEDRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(CCC#N)CC1CC1 ZINC001360611975 1065650944 /nfs/dbraw/zinc/65/09/44/1065650944.db2.gz WAMMCRRLLKSSRK-IBGZPJMESA-N 0 0 491.640 4.728 20 30 JJEDRN COc1cc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c(F)cc1C#N ZINC001438030349 1065654978 /nfs/dbraw/zinc/65/49/78/1065654978.db2.gz 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C[C@H](N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(C#N)o2)CC1)C(F)(F)F ZINC001360631968 1065683120 /nfs/dbraw/zinc/68/31/20/1065683120.db2.gz FUHYCHXIHFELRS-ZDUSSCGKSA-N 0 0 499.324 4.838 20 30 JJEDRN N#CCc1cccc2c1CCN(C(=O)c1ccc(COc3ccc(Br)cc3)o1)C2 ZINC001438175480 1065686027 /nfs/dbraw/zinc/68/60/27/1065686027.db2.gz SNXAKNJFGYHSIZ-UHFFFAOYSA-N 0 0 451.320 4.886 20 30 JJEDRN C[C@@H](N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)CC1)C(F)(F)F ZINC001360636266 1065692422 /nfs/dbraw/zinc/69/24/22/1065692422.db2.gz CYHWXTBMDGSLPH-GOSISDBHSA-N 0 0 490.574 4.628 20 30 JJEDRN CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(C#N)c(Cl)c1 ZINC001438272292 1065705563 /nfs/dbraw/zinc/70/55/63/1065705563.db2.gz MPBBUKWERYMOBS-UHFFFAOYSA-N 0 0 450.669 4.889 20 30 JJEDRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1 ZINC001360639634 1065708432 /nfs/dbraw/zinc/70/84/32/1065708432.db2.gz RHFHPPTYDRKLIM-CVDCTZTESA-N 0 0 492.624 4.639 20 30 JJEDRN 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C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC1CCOCC1 ZINC001360758530 1065825933 /nfs/dbraw/zinc/82/59/33/1065825933.db2.gz TWORZTCFLOJJHX-UZUQRXQVSA-N 0 0 461.969 4.720 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(C)OCCc2sccc21 ZINC001360762675 1065840164 /nfs/dbraw/zinc/84/01/64/1065840164.db2.gz JRDKYTQBSRXMLW-UAVUOLJFSA-N 0 0 469.586 4.845 20 30 JJEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1 ZINC001439638158 1065851178 /nfs/dbraw/zinc/85/11/78/1065851178.db2.gz NIHVEXGCSJYOIE-UHFFFAOYSA-N 0 0 456.386 4.547 20 30 JJEDRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CCCN(C)CC(F)(F)F ZINC001360769015 1065859795 /nfs/dbraw/zinc/85/97/95/1065859795.db2.gz CBNNEUCRCKBZLQ-QGZVFWFLSA-N 0 0 482.526 4.571 20 30 JJEDRN C=CCn1ncc2ccc(NC(=O)[C@H]3CCC(=O)N(C)[C@@H]3c3ccc(C(F)(F)F)cc3)cc21 ZINC001439757773 1065870910 /nfs/dbraw/zinc/87/09/10/1065870910.db2.gz RMPZGCIFTCWDHZ-SIKLNZKXSA-N 0 0 456.468 4.789 20 30 JJEDRN 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C=CC[S@](=O)(=NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC001439950369 1065895165 /nfs/dbraw/zinc/89/51/65/1065895165.db2.gz IGWGPKVZDHTQTG-SAQLXHJASA-N 0 0 456.995 4.974 20 30 JJEDRN C=CC[S@@](=O)(=NC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001439952603 1065895726 /nfs/dbraw/zinc/89/57/26/1065895726.db2.gz DREIWGBSTUXJQW-KTBRYMIGSA-N 0 0 456.564 4.597 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C/C=C\c2ccccc2)C1 ZINC001360783484 1065895818 /nfs/dbraw/zinc/89/58/18/1065895818.db2.gz LESKVBKVOAHLMP-NXLSHAFYSA-N 0 0 451.372 4.879 20 30 JJEDRN CC(C)(C)OC(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001360783527 1065895834 /nfs/dbraw/zinc/89/58/34/1065895834.db2.gz LUPSAVBTAIHJGE-QHCPKHFHSA-N 0 0 476.984 4.782 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC2CCCCC2)C1 ZINC001360783758 1065896508 /nfs/dbraw/zinc/89/65/08/1065896508.db2.gz RIEQAIGSUSVLMK-DEOSSOPVSA-N 0 0 452.559 4.723 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2Cl)C1 ZINC001360783630 1065896565 /nfs/dbraw/zinc/89/65/65/1065896565.db2.gz OGSJLNBGXRKYOZ-NRFANRHFSA-N 0 0 489.805 4.898 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOCC2CCOCC2)C1 ZINC001360783897 1065897797 /nfs/dbraw/zinc/89/77/97/1065897797.db2.gz UCQLFJLGEBCYED-VWLOTQADSA-N 0 0 489.567 4.510 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001360784659 1065898695 /nfs/dbraw/zinc/89/86/95/1065898695.db2.gz IYSISVRAEVSROS-GCJKJVERSA-N 0 0 480.966 4.537 20 30 JJEDRN CC(F)(F)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)cc1 ZINC001360787763 1065901167 /nfs/dbraw/zinc/90/11/67/1065901167.db2.gz BWRYALUZFBQPFZ-HSZRJFAPSA-N 0 0 484.576 4.560 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)N3CCC(C(=O)c4ccccc4Cl)CC3)CC2)c(F)c1 ZINC001439997831 1065901457 /nfs/dbraw/zinc/90/14/57/1065901457.db2.gz GQGPIEFIPDHTSA-UHFFFAOYSA-N 0 0 453.945 4.689 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCS2)C1 ZINC001360787964 1065902071 /nfs/dbraw/zinc/90/20/71/1065902071.db2.gz HZBKTADLBYNQIQ-RXVVDRJESA-N 0 0 476.444 4.645 20 30 JJEDRN CC(C)(C)c1csc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)n1 ZINC001360788043 1065902242 /nfs/dbraw/zinc/90/22/42/1065902242.db2.gz JUSQVIKPKVBDSN-XMMPIXPASA-N 0 0 468.602 4.929 20 30 JJEDRN CC(C)(C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360788472 1065902536 /nfs/dbraw/zinc/90/25/36/1065902536.db2.gz UTGCWVXLGQKYAH-HHHXNRCGSA-N 0 0 480.657 4.589 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(-c3ccccc3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360789043 1065903720 /nfs/dbraw/zinc/90/37/20/1065903720.db2.gz PDWKKWRRIXIIMJ-FQEVSTJZSA-N 0 0 464.614 4.722 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@H]2C[C@H](F)C2)C1 ZINC001360791100 1065905484 /nfs/dbraw/zinc/90/54/84/1065905484.db2.gz PNJAYUVODOSZEQ-VAMGGRTRSA-N 0 0 474.625 4.661 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@H](CCn2c(CC3CCCC3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360791518 1065905826 /nfs/dbraw/zinc/90/58/26/1065905826.db2.gz ZMIAZIBHTVNPEE-NRFANRHFSA-N 0 0 470.662 4.788 20 30 JJEDRN CC1(C#N)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCC(F)(F)C(F)F)CC1 ZINC001360791528 1065905898 /nfs/dbraw/zinc/90/58/98/1065905898.db2.gz ZSGLKMYONXPRMJ-UHFFFAOYSA-N 0 0 473.902 4.569 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2F)CC1 ZINC001360791530 1065905959 /nfs/dbraw/zinc/90/59/59/1065905959.db2.gz ZWNYJRZOOTYJLT-UHFFFAOYSA-N 0 0 482.604 4.710 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC(C)(C#N)CC3)n2CCCc2nccs2)C1 ZINC001360791509 1065906065 /nfs/dbraw/zinc/90/60/65/1065906065.db2.gz ZCGJCKCAORVBJJ-LJQANCHMSA-N 0 0 499.685 4.612 20 30 JJEDRN CC1(C#N)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCOC(F)F)CC1 ZINC001360792571 1065907012 /nfs/dbraw/zinc/90/70/12/1065907012.db2.gz VOKLOHHTRINNOM-UHFFFAOYSA-N 0 0 455.962 4.983 20 30 JJEDRN 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C[C@@H](CCc1ccc(I)cc1)CC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC001440867162 1065985210 /nfs/dbraw/zinc/98/52/10/1065985210.db2.gz NUWYKSIAGURZIG-LIRRHRJNSA-N 0 0 450.295 4.770 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1C ZINC001360866113 1065987533 /nfs/dbraw/zinc/98/75/33/1065987533.db2.gz NBTBCTWPEJHWQI-WSTZPKSXSA-N 0 0 470.618 4.687 20 30 JJEDRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360866631 1065989639 /nfs/dbraw/zinc/98/96/39/1065989639.db2.gz WPQVCVDWWHTTCB-ICSRJNTNSA-N 0 0 470.618 4.688 20 30 JJEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)cc1 ZINC001441017529 1066001238 /nfs/dbraw/zinc/00/12/38/1066001238.db2.gz VIXPXPWCCPLGNC-UHFFFAOYSA-N 0 0 459.933 4.797 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCC[C@H]2C)c1C ZINC001360870731 1066003215 /nfs/dbraw/zinc/00/32/15/1066003215.db2.gz QIRLUOXFNQLPSV-KCPMXOJXSA-N 0 0 451.615 4.716 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ncccc2N(C)C)c1C ZINC001360872869 1066007156 /nfs/dbraw/zinc/00/71/56/1066007156.db2.gz AGMLJMIBGNCEGX-ZBLYBZFDSA-N 0 0 473.625 4.674 20 30 JJEDRN Nc1c(Br)cc(F)cc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC001441208155 1066015457 /nfs/dbraw/zinc/01/54/57/1066015457.db2.gz SYJXFBMLQFDDTA-RNFRBKRXSA-N 0 0 451.180 4.810 20 30 JJEDRN Nc1c(Br)cc(F)cc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001441208147 1066015551 /nfs/dbraw/zinc/01/55/51/1066015551.db2.gz SYJXFBMLQFDDTA-BQBZGAKWSA-N 0 0 451.180 4.810 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)c1C ZINC001360875871 1066020047 /nfs/dbraw/zinc/02/00/47/1066020047.db2.gz ZZRBGLQNMZGUON-GKAFBRTNSA-N 0 0 494.684 4.522 20 30 JJEDRN C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(C)on1 ZINC001441253188 1066021383 /nfs/dbraw/zinc/02/13/83/1066021383.db2.gz RTQCOVHFGMGQAL-VWLOTQADSA-N 0 0 459.546 4.815 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001441284025 1066022757 /nfs/dbraw/zinc/02/27/57/1066022757.db2.gz HISJTOJHZOITRN-AEFFLSMTSA-N 0 0 454.995 4.943 20 30 JJEDRN Cc1[nH]c2ccc(Cn3c(-c4cc(Br)cn4C)nnc3N(C)[C@@H](C)CC#N)cc2c1C ZINC001360881599 1066034872 /nfs/dbraw/zinc/03/48/72/1066034872.db2.gz NZNGKEYEAWMJSQ-AWEZNQCLSA-N 0 0 480.414 4.931 20 30 JJEDRN N#CC[C@@H](CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 ZINC001441392009 1066036980 /nfs/dbraw/zinc/03/69/80/1066036980.db2.gz WLHGJKSTOJSKAP-KRWDZBQOSA-N 0 0 455.486 4.792 20 30 JJEDRN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)c2)n1 ZINC001441558164 1066050534 /nfs/dbraw/zinc/05/05/34/1066050534.db2.gz JYDHHIZAGXBPQX-UHFFFAOYSA-N 0 0 450.502 4.543 20 30 JJEDRN Cc1nc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC(C#N)CC2)sc1C ZINC001360901680 1066055544 /nfs/dbraw/zinc/05/55/44/1066055544.db2.gz YLZRIRZWIZHSNO-UHFFFAOYSA-N 0 0 475.391 4.708 20 30 JJEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001360902239 1066055857 /nfs/dbraw/zinc/05/58/57/1066055857.db2.gz LJGZARZVMKBVOA-UHFFFAOYSA-N 0 0 457.486 4.729 20 30 JJEDRN C[C@](O)(C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC001441629029 1066056380 /nfs/dbraw/zinc/05/63/80/1066056380.db2.gz GUAXLKHTNZDWMU-GOSISDBHSA-N 0 0 453.354 4.969 20 30 JJEDRN CC(C)c1nccn1Cc1cccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001441644959 1066057230 /nfs/dbraw/zinc/05/72/30/1066057230.db2.gz REHNTGSSEATESE-UHFFFAOYSA-N 0 0 450.583 4.644 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(CCC#N)CCC(C)C)n1C[C@@H]1COCCO1 ZINC001360908621 1066063965 /nfs/dbraw/zinc/06/39/65/1066063965.db2.gz NWKRPEVVZWWUDX-OAQYLSRUSA-N 0 0 480.638 4.559 20 30 JJEDRN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)n1 ZINC001441775015 1066069009 /nfs/dbraw/zinc/06/90/09/1066069009.db2.gz QMRZOTFHEIUCJE-LJQANCHMSA-N 0 0 458.493 4.684 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCOC1CCCCCC1 ZINC001360935168 1066094243 /nfs/dbraw/zinc/09/42/43/1066094243.db2.gz CTOSLQNEWSYAPW-UHFFFAOYSA-N 0 0 450.612 4.958 20 30 JJEDRN C#CC[C@]1(C(=O)NCC2(c3ccc(OC)cc3)CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001442134552 1066097319 /nfs/dbraw/zinc/09/73/19/1066097319.db2.gz ZKTMEYFQVUESAO-HHHXNRCGSA-N 0 0 454.611 4.806 20 30 JJEDRN CCOc1ccc(C#N)cc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001442188021 1066100664 /nfs/dbraw/zinc/10/06/64/1066100664.db2.gz YJQVMTLEXPNNER-KRWDZBQOSA-N 0 0 455.514 4.823 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)s1 ZINC001360949507 1066104899 /nfs/dbraw/zinc/10/48/99/1066104899.db2.gz JDJJSFXVBZLYBF-UHFFFAOYSA-N 0 0 471.011 4.893 20 30 JJEDRN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)C1 ZINC001442265149 1066110231 /nfs/dbraw/zinc/11/02/31/1066110231.db2.gz NVPLYHNBGJSLAD-LJQANCHMSA-N 0 0 458.787 4.644 20 30 JJEDRN Cc1ccsc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CCC(C)C ZINC001360959740 1066117158 /nfs/dbraw/zinc/11/71/58/1066117158.db2.gz ONPNCHLBDSXGEG-UHFFFAOYSA-N 0 0 471.652 4.533 20 30 JJEDRN Cc1c(Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)cnn1CC(C)C ZINC001360962868 1066122778 /nfs/dbraw/zinc/12/27/78/1066122778.db2.gz UONJRHZNWHKRBL-UHFFFAOYSA-N 0 0 452.006 4.938 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001360964747 1066124045 /nfs/dbraw/zinc/12/40/45/1066124045.db2.gz YTDCQGHTKXEMIY-KDYSTLNUSA-N 0 0 455.558 4.678 20 30 JJEDRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001442462132 1066128095 /nfs/dbraw/zinc/12/80/95/1066128095.db2.gz GFKSZTJUEBWHQJ-HNNXBMFYSA-N 0 0 450.495 4.584 20 30 JJEDRN C=CCc1ccc(OCC(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c(OC)c1 ZINC001442550154 1066136194 /nfs/dbraw/zinc/13/61/94/1066136194.db2.gz UKTOOGFGNNWNMF-SFTDATJTSA-N 0 0 458.599 4.583 20 30 JJEDRN C=CCc1ccc(OCC(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c(OC)c1 ZINC001442550144 1066136219 /nfs/dbraw/zinc/13/62/19/1066136219.db2.gz UKTOOGFGNNWNMF-LEWJYISDSA-N 0 0 458.599 4.583 20 30 JJEDRN Cc1ccc(C[C@H]2CCCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)cc1 ZINC001442667052 1066149463 /nfs/dbraw/zinc/14/94/63/1066149463.db2.gz MVUOPSNUHKMHKT-UBYQLBNUSA-N 0 0 451.611 4.563 20 30 JJEDRN Cc1nccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC#N ZINC001360987064 1066156587 /nfs/dbraw/zinc/15/65/87/1066156587.db2.gz ROAWXAOLYWRAHM-QZTJIDSGSA-N 0 0 455.994 4.632 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cn[nH]c1 ZINC001360990498 1066167966 /nfs/dbraw/zinc/16/79/66/1066167966.db2.gz WKFQBBHKCKODDI-UUOWRZLLSA-N 0 0 468.005 4.784 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)c(C)o1 ZINC001360997421 1066176163 /nfs/dbraw/zinc/17/61/63/1066176163.db2.gz HHKSNVFEANJGJH-RRWZXMNXSA-N 0 0 481.572 4.805 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@@H]3COc4ccccc4O3)nnc2N(CCC#N)CCC(C)C)c(C)o1 ZINC001361000027 1066178421 /nfs/dbraw/zinc/17/84/21/1066178421.db2.gz RDOMKDBILDGDIO-RPLLCQBOSA-N 0 0 493.608 4.674 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)c(C)o1 ZINC001361000421 1066178592 /nfs/dbraw/zinc/17/85/92/1066178592.db2.gz UIVAEHVOSIMZJE-AREMUKBSSA-N 0 0 459.550 4.942 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)c(C)o1 ZINC001361002812 1066179768 /nfs/dbraw/zinc/17/97/68/1066179768.db2.gz IWAOHQZZZYEXSO-SFBLDSMTSA-N 0 0 477.609 4.861 20 30 JJEDRN C[C@@]1(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CC1(Br)Br ZINC001361005576 1066184122 /nfs/dbraw/zinc/18/41/22/1066184122.db2.gz VEIWJNFROFSAKW-INIZCTEOSA-N 0 0 451.118 4.580 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)Cc3ccccc3I)c2)nc1 ZINC001361005437 1066184154 /nfs/dbraw/zinc/18/41/54/1066184154.db2.gz OQIOHKNHNFXFNH-UHFFFAOYSA-N 0 0 455.255 4.531 20 30 JJEDRN Cc1cccc([C@@H](C)Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361007355 1066186539 /nfs/dbraw/zinc/18/65/39/1066186539.db2.gz JCMRCRRZTIMRLI-HFZDXXHNSA-N 0 0 451.615 4.561 20 30 JJEDRN Cc1cccc([C@@H](C)Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361007356 1066186549 /nfs/dbraw/zinc/18/65/49/1066186549.db2.gz JCMRCRRZTIMRLI-LVXARBLLSA-N 0 0 451.615 4.561 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361024072 1066221305 /nfs/dbraw/zinc/22/13/05/1066221305.db2.gz HCDNMNGTWGHFNX-SANMLTNESA-N 0 0 451.615 4.545 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)O1 ZINC001546056170 1066222856 /nfs/dbraw/zinc/22/28/56/1066222856.db2.gz BXCVJVAOVXQFGY-HYBUGGRVSA-N 0 0 451.596 4.774 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(CCC#N)CC3CC3)n2CC(F)(F)Br)c1 ZINC001361025231 1066224003 /nfs/dbraw/zinc/22/40/03/1066224003.db2.gz ZNLLOXHVXYGLRY-UHFFFAOYSA-N 0 0 468.346 4.592 20 30 JJEDRN Cc1ccc(-n2ccnc2SCC(=O)N[C@@H](C#N)c2ccccc2Br)cc1C ZINC001453950365 1066224827 /nfs/dbraw/zinc/22/48/27/1066224827.db2.gz MQBZKEMAFQWMKE-IBGZPJMESA-N 0 0 455.381 4.725 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2coc(-c3ccc(F)cc3)n2)s1 ZINC001442840440 1066229805 /nfs/dbraw/zinc/22/98/05/1066229805.db2.gz NKJJLUSASHIYCL-UHFFFAOYSA-N 0 0 451.976 4.992 20 30 JJEDRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)O1 ZINC001546056909 1066230114 /nfs/dbraw/zinc/23/01/14/1066230114.db2.gz LGHCVDKZDZFCPB-NNHNJENNSA-N 0 0 477.531 4.711 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)O1 ZINC001546056949 1066230624 /nfs/dbraw/zinc/23/06/24/1066230624.db2.gz LVNVBKYTGKZYBP-DRMXPCRNSA-N 0 0 459.541 4.558 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OC(C)(C)C)CC2)O1 ZINC001546057110 1066231161 /nfs/dbraw/zinc/23/11/61/1066231161.db2.gz NWDRKUYVODMGSX-YIXXDRMTSA-N 0 0 481.641 4.860 20 30 JJEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001454018023 1066236039 /nfs/dbraw/zinc/23/60/39/1066236039.db2.gz LZKRVVRJASGHPU-DEOSSOPVSA-N 0 0 450.583 4.874 20 30 JJEDRN C=CCCC[C@H](C(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1)c1ccccc1 ZINC001442934769 1066243887 /nfs/dbraw/zinc/24/38/87/1066243887.db2.gz FPBGPSCWGZOEDO-RDGATRHJSA-N 0 0 454.636 4.652 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCSC(F)(F)F)c1 ZINC001361031991 1066244196 /nfs/dbraw/zinc/24/41/96/1066244196.db2.gz HKYVLKFFIODMPM-HXUWFJFHSA-N 0 0 453.534 4.857 20 30 JJEDRN Cc1cnc2c(NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)cccc2c1Cl ZINC001454222231 1066256323 /nfs/dbraw/zinc/25/63/23/1066256323.db2.gz OWEVXHZMTSSPEC-LYAYERMMSA-N 0 0 454.958 4.922 20 30 JJEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)CC1 ZINC001443057428 1066260371 /nfs/dbraw/zinc/26/03/71/1066260371.db2.gz UITKPOHQSYWILY-OAQYLSRUSA-N 0 0 451.567 4.925 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC001443055928 1066260393 /nfs/dbraw/zinc/26/03/93/1066260393.db2.gz XWCIYBMJJXSBSV-GOSISDBHSA-N 0 0 453.514 4.862 20 30 JJEDRN CCOCCOc1ccc(Cl)cc1NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001443086513 1066264093 /nfs/dbraw/zinc/26/40/93/1066264093.db2.gz HUXGTOVAEHLLJU-UHFFFAOYSA-N 0 0 450.926 4.886 20 30 JJEDRN CC(C)(C)OC(=O)NCC(C)(C)CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001443133600 1066272303 /nfs/dbraw/zinc/27/23/03/1066272303.db2.gz HQDUTXAULLAYPT-QFIPXVFZSA-N 0 0 451.567 4.887 20 30 JJEDRN CC(C)(C)OC(=O)NCC(C)(C)CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001443133590 1066272359 /nfs/dbraw/zinc/27/23/59/1066272359.db2.gz HQDUTXAULLAYPT-JOCHJYFZSA-N 0 0 451.567 4.887 20 30 JJEDRN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC001443145444 1066272849 /nfs/dbraw/zinc/27/28/49/1066272849.db2.gz WGEOGQDHNHKIMF-UIOOFZCWSA-N 0 0 453.542 4.616 20 30 JJEDRN Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC001443145430 1066273050 /nfs/dbraw/zinc/27/30/50/1066273050.db2.gz WGEOGQDHNHKIMF-FTJBHMTQSA-N 0 0 453.542 4.616 20 30 JJEDRN Cc1nccn1CCn1c(-c2cc(C)nc3ccccc32)nnc1N(CCC#N)CCC(C)C ZINC001361048385 1066277112 /nfs/dbraw/zinc/27/71/12/1066277112.db2.gz AVKNUYUTPIJIGD-UHFFFAOYSA-N 0 0 456.598 4.773 20 30 JJEDRN COc1ccc(Nc2ccc(C(=O)N3CCCN(c4ccccc4C#N)CC3)cc2)c(OC)c1 ZINC001443211345 1066280257 /nfs/dbraw/zinc/28/02/57/1066280257.db2.gz VOKMZZYICOCSTL-UHFFFAOYSA-N 0 0 456.546 4.672 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443220456 1066282338 /nfs/dbraw/zinc/28/23/38/1066282338.db2.gz WRAAJWILUOWPLF-JPYJTQIMSA-N 0 0 454.542 4.889 20 30 JJEDRN Cc1nc(CN2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CC2)oc1C ZINC001443249527 1066284106 /nfs/dbraw/zinc/28/41/06/1066284106.db2.gz HCKKSVPJPAECMK-UHFFFAOYSA-N 0 0 450.926 4.567 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC001443262466 1066286486 /nfs/dbraw/zinc/28/64/86/1066286486.db2.gz IIKIZUYFFPDOOB-IBGZPJMESA-N 0 0 458.628 4.631 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccccc2Br)C1 ZINC001454493734 1066292668 /nfs/dbraw/zinc/29/26/68/1066292668.db2.gz QDVIJRCZWVUVDH-IBGZPJMESA-N 0 0 451.405 4.700 20 30 JJEDRN O=C(Nc1n[nH]c2ccc(F)cc21)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001443309560 1066293630 /nfs/dbraw/zinc/29/36/30/1066293630.db2.gz YTKGYAQZRBYCKO-UHFFFAOYSA-N 0 0 451.298 4.837 20 30 JJEDRN N#CCCN(CC(F)(F)F)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001361059133 1066298994 /nfs/dbraw/zinc/29/89/94/1066298994.db2.gz BHPPKXIEYQDCCT-UHFFFAOYSA-N 0 0 454.246 4.620 20 30 JJEDRN CCON(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H](C)c1cccc(Br)c1 ZINC001454545125 1066299063 /nfs/dbraw/zinc/29/90/63/1066299063.db2.gz VHSJDYURZBASIA-MRXNPFEDSA-N 0 0 458.356 4.971 20 30 JJEDRN Cc1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2sccc2Br)no1 ZINC001361064862 1066304462 /nfs/dbraw/zinc/30/44/62/1066304462.db2.gz VFBHXJYJHWZWEK-UHFFFAOYSA-N 0 0 499.394 4.534 20 30 JJEDRN Cc1cc(Cn2c(-c3ccccc3F)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)no1 ZINC001361073490 1066314484 /nfs/dbraw/zinc/31/44/84/1066314484.db2.gz KQOSDAKZFCWRPT-UHFFFAOYSA-N 0 0 463.357 4.750 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC001361085563 1066324033 /nfs/dbraw/zinc/32/40/33/1066324033.db2.gz FAWWAUCDPIALEO-UHFFFAOYSA-N 0 0 453.311 4.898 20 30 JJEDRN N#C[C@H](NC(=O)c1cc(Br)c(Br)[nH]1)c1cccc(C(F)(F)F)c1 ZINC001443534452 1066325255 /nfs/dbraw/zinc/32/52/55/1066325255.db2.gz PFBHPZYVYVININ-NSHDSACASA-N 0 0 451.040 4.553 20 30 JJEDRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC001545959649 1066326048 /nfs/dbraw/zinc/32/60/48/1066326048.db2.gz ZSKTXMVLIYNDIT-IBGZPJMESA-N 0 0 458.994 4.642 20 30 JJEDRN Cc1nc(CCC(=O)N(CCC#N)Cc2ccccn2)oc1-c1ccc(Br)cc1 ZINC001443570221 1066329984 /nfs/dbraw/zinc/32/99/84/1066329984.db2.gz DDIBNQHWDHRTMS-UHFFFAOYSA-N 0 0 453.340 4.683 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCCO1 ZINC001361089438 1066335186 /nfs/dbraw/zinc/33/51/86/1066335186.db2.gz UPSQGEOEEHZQPB-BWKNWUBXSA-N 0 0 472.033 4.951 20 30 JJEDRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCNC(=O)NC1CCCCC1 ZINC001443634908 1066341329 /nfs/dbraw/zinc/34/13/29/1066341329.db2.gz RKBZDJBFTLTQRB-UHFFFAOYSA-N 0 0 450.558 4.951 20 30 JJEDRN Cc1ccc(CCCCC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC001443668930 1066346666 /nfs/dbraw/zinc/34/66/66/1066346666.db2.gz OUOUGPYNGLIPSC-QHCPKHFHSA-N 0 0 454.412 4.879 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001454998376 1066350776 /nfs/dbraw/zinc/35/07/76/1066350776.db2.gz COBXYSWMMHVVTF-NHCUHLMSSA-N 0 0 453.587 4.888 20 30 JJEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC001443752923 1066362766 /nfs/dbraw/zinc/36/27/66/1066362766.db2.gz ADRSWUNRSBPFGZ-AWEZNQCLSA-N 0 0 452.561 4.534 20 30 JJEDRN C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Oc1ccc(Br)cc1 ZINC001361114239 1066365551 /nfs/dbraw/zinc/36/55/51/1066365551.db2.gz FEDBDZRYJFXGLC-HNNXBMFYSA-N 0 0 455.308 4.690 20 30 JJEDRN CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC001455155647 1066366444 /nfs/dbraw/zinc/36/64/44/1066366444.db2.gz NHKLVXUFQUFZAA-HXUWFJFHSA-N 0 0 459.537 4.678 20 30 JJEDRN O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2nc[nH]c2C1 ZINC001546069531 1066367413 /nfs/dbraw/zinc/36/74/13/1066367413.db2.gz ORDPJUPHWIJSLF-RMLUDKJBSA-N 0 0 459.312 4.972 20 30 JJEDRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2=O)cc1C ZINC001361124964 1066378757 /nfs/dbraw/zinc/37/87/57/1066378757.db2.gz MTRVWPDCZWDMOG-OAQYLSRUSA-N 0 0 457.505 4.885 20 30 JJEDRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2=O)cc1C ZINC001361124963 1066378835 /nfs/dbraw/zinc/37/88/35/1066378835.db2.gz MTRVWPDCZWDMOG-NRFANRHFSA-N 0 0 457.505 4.885 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC[C@@H]2CCOC2)c1 ZINC001361125805 1066380311 /nfs/dbraw/zinc/38/03/11/1066380311.db2.gz DWTPFFNXWRLSIF-OAQYLSRUSA-N 0 0 451.615 4.846 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1OC ZINC001443889966 1066381026 /nfs/dbraw/zinc/38/10/26/1066381026.db2.gz NMYPLOLQHJYLLL-HWDCPHDLSA-N 0 0 458.961 4.847 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1)NC(=O)OC(C)(C)C ZINC001545963184 1066385345 /nfs/dbraw/zinc/38/53/45/1066385345.db2.gz RDAWNWPCRYZCNE-HXUWFJFHSA-N 0 0 452.603 4.746 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CCCO)CC3)n2Cc2ccc(C#N)o2)c1 ZINC001361127060 1066386718 /nfs/dbraw/zinc/38/67/18/1066386718.db2.gz DGRUKTMMXYQNGM-UHFFFAOYSA-N 0 0 477.609 4.791 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccncc2Cl)c1 ZINC001361127079 1066386806 /nfs/dbraw/zinc/38/68/06/1066386806.db2.gz DJBOPQIQLMVUFZ-XMMPIXPASA-N 0 0 468.964 4.828 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@](C)(O)c2ccsc2)c1 ZINC001361128209 1066391725 /nfs/dbraw/zinc/39/17/25/1066391725.db2.gz VFOMBLRZDJGBMK-LOSJGSFVSA-N 0 0 483.613 4.700 20 30 JJEDRN C[S@@](=O)C[C@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1 ZINC001443999070 1066393051 /nfs/dbraw/zinc/39/30/51/1066393051.db2.gz PJHGHDFKTJKMSW-INCQDFKNSA-N 0 0 455.395 4.826 20 30 JJEDRN C[S@](=O)C[C@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1 ZINC001443999073 1066393094 /nfs/dbraw/zinc/39/30/94/1066393094.db2.gz PJHGHDFKTJKMSW-JGVYIQDASA-N 0 0 455.395 4.826 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001455534080 1066406852 /nfs/dbraw/zinc/40/68/52/1066406852.db2.gz DLZBQTPSOBQQSQ-MPCDZSKCSA-N 0 0 465.635 4.532 20 30 JJEDRN CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C(=O)c1ccccc1Oc1ccccc1C#N ZINC001455670872 1066422496 /nfs/dbraw/zinc/42/24/96/1066422496.db2.gz GAHVSHKKYHQENK-KRWDZBQOSA-N 0 0 455.440 4.654 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361145089 1066427427 /nfs/dbraw/zinc/42/74/27/1066427427.db2.gz OVKCBJNMQKGCMS-KRWDZBQOSA-N 0 0 458.488 4.674 20 30 JJEDRN C#CCN(C(=O)c1cnc(-c2cccc(Cl)c2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455809808 1066435354 /nfs/dbraw/zinc/43/53/54/1066435354.db2.gz GIMRKKSYFMUBKO-UHFFFAOYSA-N 0 0 459.999 4.938 20 30 JJEDRN C#CCN(C(=O)CSc1cc(Cl)ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455812731 1066436737 /nfs/dbraw/zinc/43/67/37/1066436737.db2.gz LCTWZMLHCPTXTO-UHFFFAOYSA-N 0 0 457.423 4.947 20 30 JJEDRN C#CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455812826 1066436796 /nfs/dbraw/zinc/43/67/96/1066436796.db2.gz ZDBUSDQRNPKSSH-HNNXBMFYSA-N 0 0 455.382 4.622 20 30 JJEDRN CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545966506 1066439662 /nfs/dbraw/zinc/43/96/62/1066439662.db2.gz FTJVIOXGUPYMEZ-FQEVSTJZSA-N 0 0 482.629 4.514 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)CSC ZINC001444316326 1066446570 /nfs/dbraw/zinc/44/65/70/1066446570.db2.gz BNIVIXZLUNGFKD-KSFYIVLOSA-N 0 0 459.011 4.904 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCOC2CCCCCC2)c1 ZINC001361154495 1066451015 /nfs/dbraw/zinc/45/10/15/1066451015.db2.gz AUCCSQQJYPOUPP-VWLOTQADSA-N 0 0 455.578 4.655 20 30 JJEDRN Cc1cccc2c(CCNC(=O)[C@@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)c[nH]c21 ZINC001444346578 1066452416 /nfs/dbraw/zinc/45/24/16/1066452416.db2.gz ZBPJRBAYAXJVBH-DEOSSOPVSA-N 0 0 458.562 4.541 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001455933609 1066454410 /nfs/dbraw/zinc/45/44/10/1066454410.db2.gz QTXLWBILJBKIHB-UHFFFAOYSA-N 0 0 452.327 4.669 20 30 JJEDRN C#Cc1cccc(N(C(=O)c2cnn(-c3ccccc3)c2I)C(C)C)c1 ZINC001455946811 1066457743 /nfs/dbraw/zinc/45/77/43/1066457743.db2.gz DCKDWYWXCYAXDB-UHFFFAOYSA-N 0 0 455.299 4.513 20 30 JJEDRN C[C@@](O)(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(F)c(Br)c1 ZINC001444416012 1066460633 /nfs/dbraw/zinc/46/06/33/1066460633.db2.gz ZERJGFUJSVUVLL-NRFANRHFSA-N 0 0 459.340 4.712 20 30 JJEDRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CC#N)C(F)(F)F ZINC001455984352 1066467156 /nfs/dbraw/zinc/46/71/56/1066467156.db2.gz OEPIVONAAYJQND-RTWAWAEBSA-N 0 0 459.468 4.510 20 30 JJEDRN N#Cc1cc(Br)ccc1N1CC(C(=O)NC(c2cccs2)c2cccs2)C1 ZINC001444575189 1066478535 /nfs/dbraw/zinc/47/85/35/1066478535.db2.gz ZLSVXSPAAZCCEL-UHFFFAOYSA-N 0 0 458.406 4.786 20 30 JJEDRN CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001456029050 1066482030 /nfs/dbraw/zinc/48/20/30/1066482030.db2.gz ZCJRFTUUERXZLX-UHFFFAOYSA-N 0 0 458.743 4.567 20 30 JJEDRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC001361170496 1066485835 /nfs/dbraw/zinc/48/58/35/1066485835.db2.gz ITQZYKBWPQZBFI-HOTGVXAUSA-N 0 0 459.468 4.998 20 30 JJEDRN CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545968310 1066487420 /nfs/dbraw/zinc/48/74/20/1066487420.db2.gz CBHFSZLGACTOQS-RTWAWAEBSA-N 0 0 452.603 4.602 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)o1 ZINC001361177938 1066497642 /nfs/dbraw/zinc/49/76/42/1066497642.db2.gz CEKXLYFZUDLOSL-UHFFFAOYSA-N 0 0 458.469 4.878 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC001444770298 1066503186 /nfs/dbraw/zinc/50/31/86/1066503186.db2.gz QREKGTOLMIYVFV-QHCPKHFHSA-N 0 0 451.567 4.544 20 30 JJEDRN C=CCC[C@@H](C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1ccccc1 ZINC001456080723 1066506054 /nfs/dbraw/zinc/50/60/54/1066506054.db2.gz DKLWBAQLMHFOHW-JOCHJYFZSA-N 0 0 450.583 4.827 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)NC2CCCCC2)cc1Br ZINC001361200059 1066529544 /nfs/dbraw/zinc/52/95/44/1066529544.db2.gz MIXOMCVHBQCUMF-UHFFFAOYSA-N 0 0 499.457 4.595 20 30 JJEDRN C#CCOc1cc(F)ccc1NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001445037128 1066531493 /nfs/dbraw/zinc/53/14/93/1066531493.db2.gz VIWABGIWOIIMMN-UHFFFAOYSA-N 0 0 458.489 4.705 20 30 JJEDRN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C[C@@H]1CCCO1 ZINC001456186114 1066532595 /nfs/dbraw/zinc/53/25/95/1066532595.db2.gz CVDCBVPJPLNTOV-QFIPXVFZSA-N 0 0 451.523 4.705 20 30 JJEDRN CC[C@H](C)[C@@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456199204 1066535759 /nfs/dbraw/zinc/53/57/59/1066535759.db2.gz CHOKHEJCCRXLEM-WTYVLRPYSA-N 0 0 459.634 4.730 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(OC(C)C)nc2)cc1Br ZINC001361205746 1066538017 /nfs/dbraw/zinc/53/80/17/1066538017.db2.gz RCWQQFPXKWRGQW-QHCPKHFHSA-N 0 0 499.388 4.689 20 30 JJEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccccc3SC(F)(F)F)c(C#N)c2N)cc1 ZINC001445155751 1066540562 /nfs/dbraw/zinc/54/05/62/1066540562.db2.gz LJWGKWLCPYCNBE-UHFFFAOYSA-N 0 0 459.497 4.609 20 30 JJEDRN Cc1ccc(-n2nc(CCCNC(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)c(C#N)c2N)cc1 ZINC001445147203 1066540630 /nfs/dbraw/zinc/54/06/30/1066540630.db2.gz AHFVTZCITWYRAH-UHFFFAOYSA-N 0 0 454.578 4.776 20 30 JJEDRN Cc1ccc(-n2nc(CCCNC(=O)CCSc3ccccc3Cl)c(C#N)c2N)cc1 ZINC001445161584 1066541040 /nfs/dbraw/zinc/54/10/40/1066541040.db2.gz VMSWYVOBAJXHGG-UHFFFAOYSA-N 0 0 453.999 4.519 20 30 JJEDRN C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)C(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H]1C ZINC001445294491 1066555458 /nfs/dbraw/zinc/55/54/58/1066555458.db2.gz QULDCGPXVONFLD-QZMQVMSPSA-N 0 0 455.961 4.934 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cc2cc(Cl)ccc2Br)ccc1OC ZINC001456287781 1066555630 /nfs/dbraw/zinc/55/56/30/1066555630.db2.gz CMEDWBIWRVGTPY-MRXNPFEDSA-N 0 0 451.748 4.651 20 30 JJEDRN COc1cccc(-c2cc(CNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)on2)c1 ZINC001456287642 1066555715 /nfs/dbraw/zinc/55/57/15/1066555715.db2.gz XORAVSOVILRKLX-UHFFFAOYSA-N 0 0 455.518 4.674 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2occc2CN2c3ccccc3C[C@H]2C)ccc1OC ZINC001456298917 1066558016 /nfs/dbraw/zinc/55/80/16/1066558016.db2.gz BAUNHLADQGEZPH-GCJKJVERSA-N 0 0 459.546 4.850 20 30 JJEDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001361233864 1066574461 /nfs/dbraw/zinc/57/44/61/1066574461.db2.gz ICXIRWXOVMPJAN-QHCPKHFHSA-N 0 0 456.477 4.657 20 30 JJEDRN C#CCN(C(=O)CCCOc1ccc(OC)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456442235 1066587336 /nfs/dbraw/zinc/58/73/36/1066587336.db2.gz CGTZLQBGPYNAPR-OAQYLSRUSA-N 0 0 458.352 4.602 20 30 JJEDRN C#CCN(C(=O)c1ccc([C@H]2CCCOC2)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456445749 1066588526 /nfs/dbraw/zinc/58/85/26/1066588526.db2.gz IORWFIIBJZTZAB-SIKLNZKXSA-N 0 0 454.364 4.942 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)N1CCC[C@@H]1c1ccccc1Br)c1ccccc1 ZINC001445601802 1066594226 /nfs/dbraw/zinc/59/42/26/1066594226.db2.gz QTEXJVVLPIVPKR-OAQYLSRUSA-N 0 0 454.368 4.840 20 30 JJEDRN CN(Cc1cc(C#N)cs1)C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC001456480388 1066594815 /nfs/dbraw/zinc/59/48/15/1066594815.db2.gz VKAORLUVANVSGX-UHFFFAOYSA-N 0 0 450.951 4.860 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC001445633770 1066596372 /nfs/dbraw/zinc/59/63/72/1066596372.db2.gz VMUUAJAZXUGRRN-UYAOXDASSA-N 0 0 452.894 4.562 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N(CCC)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC001445638700 1066596991 /nfs/dbraw/zinc/59/69/91/1066596991.db2.gz LHTCAAXUDBKQCS-BENRWUELSA-N 0 0 458.599 4.911 20 30 JJEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(I)c(Cl)c2)c1 ZINC001456496181 1066599926 /nfs/dbraw/zinc/59/99/26/1066599926.db2.gz PPXYZZLPZSMFDK-CQSZACIVSA-N 0 0 454.695 4.556 20 30 JJEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C)n(-c3ccccc3Br)n2)c1 ZINC001456497333 1066600374 /nfs/dbraw/zinc/60/03/74/1066600374.db2.gz RQMBPBNMBPDAOB-QGZVFWFLSA-N 0 0 453.340 4.554 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)s1 ZINC001361260988 1066611051 /nfs/dbraw/zinc/61/10/51/1066611051.db2.gz CUUZLQNESYRCAL-DEOSSOPVSA-N 0 0 479.631 4.704 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCc2nccs2)s1 ZINC001361261660 1066614280 /nfs/dbraw/zinc/61/42/80/1066614280.db2.gz WALUSQUTIGGAPF-UHFFFAOYSA-N 0 0 464.620 4.824 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)C2)C1 ZINC001445774836 1066615171 /nfs/dbraw/zinc/61/51/71/1066615171.db2.gz BRLJESBXYQLDTN-FAVJJTOZSA-N 0 0 459.537 4.805 20 30 JJEDRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@](C)(C#N)C2)s1 ZINC001361267791 1066620073 /nfs/dbraw/zinc/62/00/73/1066620073.db2.gz CXNXUSWJPUALNC-FQEVSTJZSA-N 0 0 459.417 4.594 20 30 JJEDRN Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001361273391 1066629558 /nfs/dbraw/zinc/62/95/58/1066629558.db2.gz ZCIKMIZXUXTJMH-LJQANCHMSA-N 0 0 478.622 4.586 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(n2cc(Br)cn2)CC1 ZINC001361274892 1066632091 /nfs/dbraw/zinc/63/20/91/1066632091.db2.gz OWPOZWQKLDRTBM-UHFFFAOYSA-N 0 0 451.324 4.533 20 30 JJEDRN N#Cc1cc(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001361276142 1066633574 /nfs/dbraw/zinc/63/35/74/1066633574.db2.gz VRUBKCIZCQLEKU-NRFANRHFSA-N 0 0 452.392 4.896 20 30 JJEDRN C#Cc1ccc(NC(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)c(Cl)c1 ZINC001456613791 1066644333 /nfs/dbraw/zinc/64/43/33/1066644333.db2.gz NRLKQXDSIJIDEZ-CQSZACIVSA-N 0 0 451.695 4.977 20 30 JJEDRN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001456684986 1066665873 /nfs/dbraw/zinc/66/58/73/1066665873.db2.gz JEVDGZMEWYKYBY-BDYUSTAISA-N 0 0 453.542 4.676 20 30 JJEDRN CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1)c1ccc(C#N)cc1 ZINC001456725486 1066674440 /nfs/dbraw/zinc/67/44/40/1066674440.db2.gz GCJSZDMDFCXAQL-SFHVURJKSA-N 0 0 454.368 4.535 20 30 JJEDRN CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)c1ccc(C#N)cc1 ZINC001456725576 1066674501 /nfs/dbraw/zinc/67/45/01/1066674501.db2.gz GTHRNYAKBLJEKW-UHFFFAOYSA-N 0 0 453.951 4.703 20 30 JJEDRN COc1cc(C(=O)N2CCc3c(C#N)c(N)sc3C2)ccc1OCc1ccc(Cl)cc1 ZINC001456733294 1066676928 /nfs/dbraw/zinc/67/69/28/1066676928.db2.gz IEIYGQYJDALMPF-UHFFFAOYSA-N 0 0 453.951 4.641 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)c3cnnn3-c3c(Cl)cccc3Cl)c2)nc1 ZINC001456777470 1066688495 /nfs/dbraw/zinc/68/84/95/1066688495.db2.gz OTPGZZQFPXMKKR-UHFFFAOYSA-N 0 0 451.273 4.885 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)c2)nc1 ZINC001456783231 1066689345 /nfs/dbraw/zinc/68/93/45/1066689345.db2.gz WTXYTUASFWVCLT-UHFFFAOYSA-N 0 0 457.417 4.669 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1C ZINC001456793210 1066691655 /nfs/dbraw/zinc/69/16/55/1066691655.db2.gz YGBIAMHZKOQVKY-QFIPXVFZSA-N 0 0 459.550 4.955 20 30 JJEDRN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(C#Cc2ccccc2)cc1 ZINC001456807347 1066697155 /nfs/dbraw/zinc/69/71/55/1066697155.db2.gz YKSFYJZOJPGCJV-GDLZYMKVSA-N 0 0 458.561 4.744 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC001446380889 1066699137 /nfs/dbraw/zinc/69/91/37/1066699137.db2.gz VVYGSVZKJGWMSG-QHCPKHFHSA-N 0 0 456.533 4.542 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc1OC ZINC001456813100 1066699097 /nfs/dbraw/zinc/69/90/97/1066699097.db2.gz MLHBLCQCUJGDLL-OZOJFGJPSA-N 0 0 451.563 4.991 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N[C@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc1OC ZINC001456813093 1066699264 /nfs/dbraw/zinc/69/92/64/1066699264.db2.gz MLHBLCQCUJGDLL-JBOCTPFWSA-N 0 0 451.563 4.991 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Oc1ccc(OC)c2ccccc12 ZINC001456865057 1066709718 /nfs/dbraw/zinc/70/97/18/1066709718.db2.gz PBIKLRNYZGFXOE-UHFFFAOYSA-N 0 0 456.292 4.866 20 30 JJEDRN CCCCOc1ccc(C=NOCC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1OC ZINC001446551654 1066720187 /nfs/dbraw/zinc/72/01/87/1066720187.db2.gz DNPKSTRVHKZQKA-FQEVSTJZSA-N 0 0 458.530 4.782 20 30 JJEDRN C=CCC[C@@H](NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(F)(F)F)cc1 ZINC001446565108 1066721213 /nfs/dbraw/zinc/72/12/13/1066721213.db2.gz FCYINIFBIPQJLB-LJQANCHMSA-N 0 0 457.452 4.914 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)n1 ZINC001492636796 1066722071 /nfs/dbraw/zinc/72/20/71/1066722071.db2.gz GFLZGPLQBWFFTK-AWEZNQCLSA-N 0 0 488.539 4.733 20 30 JJEDRN CN(C)c1ccc(N2CCC(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)cc1 ZINC001456927168 1066723967 /nfs/dbraw/zinc/72/39/67/1066723967.db2.gz WWLBGPMNUWILBT-UHFFFAOYSA-N 0 0 458.537 4.954 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@H](C)C#N)n1 ZINC001492638044 1066725633 /nfs/dbraw/zinc/72/56/33/1066725633.db2.gz CIURKKVSZSQJJK-HUUCEWRRSA-N 0 0 489.443 4.784 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)C)C2)n1 ZINC001492639063 1066728165 /nfs/dbraw/zinc/72/81/65/1066728165.db2.gz MWYNYCNKDBFOKN-FXAWDEMLSA-N 0 0 450.612 4.780 20 30 JJEDRN Cc1csc([C@H](C)Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)n1 ZINC001492640557 1066731656 /nfs/dbraw/zinc/73/16/56/1066731656.db2.gz YKJCTHGSFGSGEQ-XLIONFOSSA-N 0 0 499.685 4.701 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cccc(F)c2)c1CCC ZINC001446759492 1066736731 /nfs/dbraw/zinc/73/67/31/1066736731.db2.gz UJEQTWUHRWAKEC-QGZVFWFLSA-N 0 0 450.942 4.938 20 30 JJEDRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 ZINC001457019887 1066744917 /nfs/dbraw/zinc/74/49/17/1066744917.db2.gz XXPKSPGSLVQECL-QFIPXVFZSA-N 0 0 459.477 4.742 20 30 JJEDRN Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)c1 ZINC001492645782 1066746545 /nfs/dbraw/zinc/74/65/45/1066746545.db2.gz JAESXFUWIRZZMB-UHFFFAOYSA-N 0 0 462.623 4.616 20 30 JJEDRN CC(C)(Cc1cccc(Br)c1)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC001457087102 1066758720 /nfs/dbraw/zinc/75/87/20/1066758720.db2.gz BWVCOXCECIKIJT-UHFFFAOYSA-N 0 0 458.375 4.814 20 30 JJEDRN C=CC[C@@H](CO)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccc([N+](=O)[O-])c1 ZINC001447025303 1066767418 /nfs/dbraw/zinc/76/74/18/1066767418.db2.gz ICLVMPBDYQJOIO-YFQSIASUSA-N 0 0 457.530 4.934 20 30 JJEDRN Cc1nc(C)c(Cn2c(CC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC001492660065 1066777415 /nfs/dbraw/zinc/77/74/15/1066777415.db2.gz OVHFYNJCOLESIM-UHFFFAOYSA-N 0 0 450.612 4.518 20 30 JJEDRN CC[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1)c1ccccc1 ZINC001545993299 1066780417 /nfs/dbraw/zinc/78/04/17/1066780417.db2.gz UWNWSRATQMRHAV-JTHBVZDNSA-N 0 0 494.640 4.520 20 30 JJEDRN CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N)c1ccccc1 ZINC001545993385 1066781232 /nfs/dbraw/zinc/78/12/32/1066781232.db2.gz WHHPRKDYBSAKFH-SJBKTWHCSA-N 0 0 482.629 4.519 20 30 JJEDRN CCCc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)nnn1Cc1cccc(Br)c1 ZINC001457196742 1066785663 /nfs/dbraw/zinc/78/56/63/1066785663.db2.gz YKQIMTVDBGSRPU-OAHLLOKOSA-N 0 0 453.340 4.831 20 30 JJEDRN CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCOC)CCCCC2)CCO1 ZINC001546088875 1066794659 /nfs/dbraw/zinc/79/46/59/1066794659.db2.gz CQGISCRCGMHZRX-RUZDIDTESA-N 0 0 451.615 4.809 20 30 JJEDRN CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCOC)CCCCC2)CCO1 ZINC001546088876 1066794682 /nfs/dbraw/zinc/79/46/82/1066794682.db2.gz CQGISCRCGMHZRX-VWLOTQADSA-N 0 0 451.615 4.809 20 30 JJEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC001457229992 1066795032 /nfs/dbraw/zinc/79/50/32/1066795032.db2.gz KPKONEASKSXNPQ-UHFFFAOYSA-N 0 0 450.516 4.600 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001447397829 1066803207 /nfs/dbraw/zinc/80/32/07/1066803207.db2.gz FFRXNTGRDIGCMY-QZTJIDSGSA-N 0 0 453.352 4.558 20 30 JJEDRN Cc1nc(Cc2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CCCOCC(C)C)cs1 ZINC001492672051 1066803681 /nfs/dbraw/zinc/80/36/81/1066803681.db2.gz LZQJOMBEEXQTBG-UHFFFAOYSA-N 0 0 476.650 4.862 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2Cc2cccc(OCC(C)C)c2)cs1 ZINC001492673127 1066805465 /nfs/dbraw/zinc/80/54/65/1066805465.db2.gz MRPSJSRGQJZSIJ-UHFFFAOYSA-N 0 0 464.639 4.847 20 30 JJEDRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2c1 ZINC001447479507 1066813401 /nfs/dbraw/zinc/81/34/01/1066813401.db2.gz DWINHJAKUHBFQP-YADARESESA-N 0 0 456.546 4.699 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)Sc2ccccc2)cs1 ZINC001492676774 1066814418 /nfs/dbraw/zinc/81/44/18/1066814418.db2.gz OGFPQJRZVOGBSQ-SBUREZEXSA-N 0 0 452.653 4.945 20 30 JJEDRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001447490059 1066814583 /nfs/dbraw/zinc/81/45/83/1066814583.db2.gz XHIKYDDEOKJJSV-SJLPKXTDSA-N 0 0 456.612 4.520 20 30 JJEDRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@H](c3ccc(OC(F)F)cc3)C(F)(F)F)c2N1 ZINC001447523001 1066818456 /nfs/dbraw/zinc/81/84/56/1066818456.db2.gz IZLXQJMCTUSPCO-BZHVJNSISA-N 0 0 472.336 4.825 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCSc2ccccc2)cs1 ZINC001492679141 1066820869 /nfs/dbraw/zinc/82/08/69/1066820869.db2.gz VZMMJUUGJSCPKV-QHCPKHFHSA-N 0 0 452.653 4.946 20 30 JJEDRN Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(F)(F)F)CC2)cs1 ZINC001492687097 1066832026 /nfs/dbraw/zinc/83/20/26/1066832026.db2.gz ASFXBVLYLCWFOD-UHFFFAOYSA-N 0 0 460.529 4.993 20 30 JJEDRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)C#Cc2ccc(C(F)(F)F)cc2)ccn1 ZINC001457452936 1066833678 /nfs/dbraw/zinc/83/36/78/1066833678.db2.gz YGMQFZGLJYXWOR-UHFFFAOYSA-N 0 0 453.420 4.551 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)s1 ZINC001492695984 1066844653 /nfs/dbraw/zinc/84/46/53/1066844653.db2.gz SNDOZPHBSODRNQ-RBBKRZOGSA-N 0 0 450.612 4.669 20 30 JJEDRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC001447788986 1066857289 /nfs/dbraw/zinc/85/72/89/1066857289.db2.gz BZIYMMYZFIAEQY-PXNSSMCTSA-N 0 0 456.587 4.538 20 30 JJEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3c[nH]c4cccc(Br)c34)ccc21 ZINC001447794573 1066859725 /nfs/dbraw/zinc/85/97/25/1066859725.db2.gz UQWYHPXJRIFRAA-UHFFFAOYSA-N 0 0 451.324 4.766 20 30 JJEDRN C#CCCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC001457567172 1066864645 /nfs/dbraw/zinc/86/46/45/1066864645.db2.gz FPWQQPHMJKJHLF-UHFFFAOYSA-N 0 0 452.507 4.589 20 30 JJEDRN CCCc1nc(C(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)nn1-c1ccccc1F ZINC001447954876 1066881613 /nfs/dbraw/zinc/88/16/13/1066881613.db2.gz DWXHHKRDWZOAQR-UHFFFAOYSA-N 0 0 457.513 4.621 20 30 JJEDRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(C)(C)C)cs1 ZINC001492717836 1066885423 /nfs/dbraw/zinc/88/54/23/1066885423.db2.gz YAYCIAJNCMEBRL-UHFFFAOYSA-N 0 0 474.638 4.606 20 30 JJEDRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccsc1Br ZINC001492718211 1066886760 /nfs/dbraw/zinc/88/67/60/1066886760.db2.gz WMSBPSHDFNAPMB-UHFFFAOYSA-N 0 0 496.438 4.676 20 30 JJEDRN COc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)ccc1C#N ZINC001447984297 1066887982 /nfs/dbraw/zinc/88/79/82/1066887982.db2.gz QAJANWORFFRTSX-JOCHJYFZSA-N 0 0 452.457 4.544 20 30 JJEDRN Cc1nn(C)c(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(C)(C)C(C)C)CC2)c1C#N ZINC001492728076 1066897720 /nfs/dbraw/zinc/89/77/20/1066897720.db2.gz RXGOLZXPBJBGAH-UHFFFAOYSA-N 0 0 481.048 4.521 20 30 JJEDRN Cc1cccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1NC(=O)c1ccccc1F ZINC001457706223 1066900872 /nfs/dbraw/zinc/90/08/72/1066900872.db2.gz FYRSHSXKDISYNW-UHFFFAOYSA-N 0 0 453.477 4.578 20 30 JJEDRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCCC(C)(C)C)C2)n1 ZINC001492731011 1066901673 /nfs/dbraw/zinc/90/16/73/1066901673.db2.gz JOTOKDWEUOMJHJ-JOCHJYFZSA-N 0 0 476.629 4.605 20 30 JJEDRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC001546003077 1066904301 /nfs/dbraw/zinc/90/43/01/1066904301.db2.gz CNAYBDNIEFBAGZ-OAQYLSRUSA-N 0 0 480.638 4.742 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)s1 ZINC001448158733 1066905101 /nfs/dbraw/zinc/90/51/01/1066905101.db2.gz IOIWAMTWFWLXPK-MBOZVWFJSA-N 0 0 453.029 4.580 20 30 JJEDRN CCC1(CC)Oc2ccc(NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)cc2O1 ZINC001457752404 1066911609 /nfs/dbraw/zinc/91/16/09/1066911609.db2.gz LRKYXJRGFLRVMX-VTPMOLMCSA-N 0 0 455.555 4.699 20 30 JJEDRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1cccc(C#N)c1 ZINC001457760188 1066913454 /nfs/dbraw/zinc/91/34/54/1066913454.db2.gz KOLJQGYSRYVKDY-MRXNPFEDSA-N 0 0 454.935 4.955 20 30 JJEDRN Cc1cc(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC001448401561 1066923270 /nfs/dbraw/zinc/92/32/70/1066923270.db2.gz MMXXFWLVZSTQMA-OAQYLSRUSA-N 0 0 450.583 4.733 20 30 JJEDRN N#CC1(c2ccccn2)CCN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CC1 ZINC001448426590 1066926251 /nfs/dbraw/zinc/92/62/51/1066926251.db2.gz FTEOECZTHMQVAI-UHFFFAOYSA-N 0 0 450.951 4.746 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC(F)F)C(C)C)c1 ZINC001457822298 1066928585 /nfs/dbraw/zinc/92/85/85/1066928585.db2.gz SLQPXTWLYAIDFT-UHFFFAOYSA-N 0 0 456.942 4.837 20 30 JJEDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CCCC(=O)Nc3ccccc3C#N)cc2Cl)C1 ZINC001448455264 1066929855 /nfs/dbraw/zinc/92/98/55/1066929855.db2.gz UZWACYRZKCBKEG-GOSISDBHSA-N 0 0 452.986 4.873 20 30 JJEDRN Cc1cc(C)n(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@](C)(C#N)C2)n1 ZINC001492760578 1066932818 /nfs/dbraw/zinc/93/28/18/1066932818.db2.gz KGABZENXYOFUBU-DEOSSOPVSA-N 0 0 469.540 4.580 20 30 JJEDRN C=CCOC[C@@H](NC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)C(=O)OC ZINC001448493424 1066933138 /nfs/dbraw/zinc/93/31/38/1066933138.db2.gz ICMDLGIKVWAMQS-IEBWSBKVSA-N 0 0 454.375 4.687 20 30 JJEDRN O=C(NCc1ccc(C(=O)NO)cc1)c1oc2ccccc2c1COc1ccccc1Cl ZINC001448503309 1066934030 /nfs/dbraw/zinc/93/40/30/1066934030.db2.gz PONDXJROGWDVLT-UHFFFAOYSA-N 0 0 450.878 4.714 20 30 JJEDRN N#Cc1ccc(N2CC[C@@H](C(=O)NCc3cc(Cl)cc(Cl)c3OC(F)F)C2)c(F)c1 ZINC001457883507 1066935740 /nfs/dbraw/zinc/93/57/40/1066935740.db2.gz BLVCWTUIWPFTCJ-GFCCVEGCSA-N 0 0 458.267 4.748 20 30 JJEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001448577251 1066939740 /nfs/dbraw/zinc/93/97/40/1066939740.db2.gz MULWVGYIYOETRU-UTKZUKDTSA-N 0 0 457.596 4.792 20 30 JJEDRN Cc1cccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1NC(=O)c1ccccc1F ZINC001457911971 1066940421 /nfs/dbraw/zinc/94/04/21/1066940421.db2.gz PYUXFPXUUOSSCM-NRFANRHFSA-N 0 0 456.521 4.609 20 30 JJEDRN Cc1nnc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(CC#N)CC2)s1 ZINC001492767798 1066940958 /nfs/dbraw/zinc/94/09/58/1066940958.db2.gz DGMVJOWUUKPQDL-UHFFFAOYSA-N 0 0 486.443 4.549 20 30 JJEDRN Cc1nnc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@H](C)CC#N)s1 ZINC001492771494 1066943893 /nfs/dbraw/zinc/94/38/93/1066943893.db2.gz PXMZLFHSAIPRGM-CABCVRRESA-N 0 0 460.007 4.635 20 30 JJEDRN Cc1nnc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@@H](C)CC#N)s1 ZINC001492771503 1066944321 /nfs/dbraw/zinc/94/43/21/1066944321.db2.gz PXMZLFHSAIPRGM-LSDHHAIUSA-N 0 0 460.007 4.635 20 30 JJEDRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001457987756 1066952872 /nfs/dbraw/zinc/95/28/72/1066952872.db2.gz ZBCJYPQXOIDEGP-UHFFFAOYSA-N 0 0 457.379 4.508 20 30 JJEDRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N(O)CCCCc1ccccc1 ZINC001457992343 1066953814 /nfs/dbraw/zinc/95/38/14/1066953814.db2.gz HEBYBPJPVNWLJR-UHFFFAOYSA-N 0 0 456.539 4.789 20 30 JJEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)C1 ZINC001457996472 1066954548 /nfs/dbraw/zinc/95/45/48/1066954548.db2.gz OOMPOBGQHSASBG-QRQCRPRQSA-N 0 0 455.971 4.861 20 30 JJEDRN CC(C)(C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)c1csc(-c2c(F)cccc2F)n1 ZINC001458039604 1066958935 /nfs/dbraw/zinc/95/89/35/1066958935.db2.gz AWOTVDABKNRJQW-UHFFFAOYSA-N 0 0 450.474 4.661 20 30 JJEDRN Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC001448829766 1066960263 /nfs/dbraw/zinc/96/02/63/1066960263.db2.gz MCRVFUYGZVFJTN-VWLOTQADSA-N 0 0 457.961 4.902 20 30 JJEDRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448829534 1066960301 /nfs/dbraw/zinc/96/03/01/1066960301.db2.gz LHNGREUFDJFVJB-FQEVSTJZSA-N 0 0 454.361 4.510 20 30 JJEDRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448829543 1066960385 /nfs/dbraw/zinc/96/03/85/1066960385.db2.gz LHNGREUFDJFVJB-HXUWFJFHSA-N 0 0 454.361 4.510 20 30 JJEDRN N#Cc1cccc(-c2nc(NC(=O)C3(c4cccc(Br)c4)CCCCC3)n[nH]2)c1 ZINC001458050921 1066961285 /nfs/dbraw/zinc/96/12/85/1066961285.db2.gz XCGPYRWKHLCFHX-UHFFFAOYSA-N 0 0 450.340 4.946 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N2CCc3c(ncn3-c3ccc(C)cc3)C2)s1 ZINC001448846181 1066963376 /nfs/dbraw/zinc/96/33/76/1066963376.db2.gz NRPXSUCYTCHSQT-UHFFFAOYSA-N 0 0 459.040 4.918 20 30 JJEDRN C#CCn1cc(CNC(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)cn1 ZINC001448873776 1066966281 /nfs/dbraw/zinc/96/62/81/1066966281.db2.gz DDTZFQIHTXOXLD-UHFFFAOYSA-N 0 0 458.374 4.521 20 30 JJEDRN O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001448941555 1066972148 /nfs/dbraw/zinc/97/21/48/1066972148.db2.gz ULTOCUQPDMGQFB-NHXNDTTKSA-N 0 0 455.301 4.903 20 30 JJEDRN CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccccc1 ZINC001545719715 1066973678 /nfs/dbraw/zinc/97/36/78/1066973678.db2.gz LECIMUXTRBJWBM-HYPCABPSSA-N 0 0 492.668 4.919 20 30 JJEDRN C=C[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001545727151 1066984194 /nfs/dbraw/zinc/98/41/94/1066984194.db2.gz GNIMXTCOHVGYJZ-GYCJOSAFSA-N 0 0 458.480 4.881 20 30 JJEDRN CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC001449193271 1066988964 /nfs/dbraw/zinc/98/89/64/1066988964.db2.gz NGRPHTZVUXHGQV-OAQYLSRUSA-N 0 0 450.583 4.808 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1C#N ZINC001458154281 1066990363 /nfs/dbraw/zinc/99/03/63/1066990363.db2.gz IUZOUWIQLBSYSI-UHFFFAOYSA-N 0 0 453.886 4.791 20 30 JJEDRN C=CCOc1ccc(C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1OC ZINC001449308442 1066997569 /nfs/dbraw/zinc/99/75/69/1066997569.db2.gz GGSVELARXBHICH-NRFANRHFSA-N 0 0 452.551 4.524 20 30 JJEDRN CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001546013135 1067000026 /nfs/dbraw/zinc/00/00/26/1067000026.db2.gz VMRNWFCDZHJLFY-CTNGQTDRSA-N 0 0 482.629 4.658 20 30 JJEDRN N#Cc1c(N)c([N+](=O)[O-])ccc1Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458190659 1067000850 /nfs/dbraw/zinc/00/08/50/1067000850.db2.gz JFMKQUPTLCVXKI-UHFFFAOYSA-N 0 0 455.396 4.741 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C ZINC001449349537 1067002104 /nfs/dbraw/zinc/00/21/04/1067002104.db2.gz QSUOPXBOIHRYPA-UHFFFAOYSA-N 0 0 456.587 4.684 20 30 JJEDRN C#CCN(CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001449357245 1067003134 /nfs/dbraw/zinc/00/31/34/1067003134.db2.gz QXHXTVTWMAPCSM-UHFFFAOYSA-N 0 0 452.395 4.553 20 30 JJEDRN N#Cc1ccc(-n2ccc(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)n2)c(Cl)c1 ZINC001458221524 1067006841 /nfs/dbraw/zinc/00/68/41/1067006841.db2.gz HQTALSMSAMYDLB-UHFFFAOYSA-N 0 0 453.974 4.591 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545740979 1067006886 /nfs/dbraw/zinc/00/68/86/1067006886.db2.gz HKHGMQMOPASMJW-ZIHSNCGMSA-N 0 0 496.631 4.909 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545741340 1067007502 /nfs/dbraw/zinc/00/75/02/1067007502.db2.gz OPPCCALXHAYCTE-YZIHRLCOSA-N 0 0 484.620 4.811 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545741448 1067007868 /nfs/dbraw/zinc/00/78/68/1067007868.db2.gz QNZFKDPZOFIKAP-IERDGZPVSA-N 0 0 478.519 4.980 20 30 JJEDRN CC[C@H](c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545746961 1067016034 /nfs/dbraw/zinc/01/60/34/1067016034.db2.gz XPXUGIALVCBSSG-HFZDXXHNSA-N 0 0 466.630 4.865 20 30 JJEDRN CN1CCN(c2ccc(Nc3cc(Br)ccc3C#N)cc2Br)CC1 ZINC001458319071 1067028906 /nfs/dbraw/zinc/02/89/06/1067028906.db2.gz BKZNTTUYSMJXEB-UHFFFAOYSA-N 0 0 450.178 4.579 20 30 JJEDRN N#Cc1cc2c(nc1NC(=O)Cc1csc(-c3sccc3Br)n1)CCCC2 ZINC001458333218 1067033173 /nfs/dbraw/zinc/03/31/73/1067033173.db2.gz GSLJQGIYQZHNRW-UHFFFAOYSA-N 0 0 459.394 4.961 20 30 JJEDRN CCc1ccc(C#CC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001449903690 1067035619 /nfs/dbraw/zinc/03/56/19/1067035619.db2.gz PKGVNRUKTCFHMG-ILBGXUMGSA-N 0 0 464.581 4.897 20 30 JJEDRN CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C(C)(C)C)n2)CCO1 ZINC001546099804 1067043517 /nfs/dbraw/zinc/04/35/17/1067043517.db2.gz NARZATFXQUBNLN-AREMUKBSSA-N 0 0 494.665 4.731 20 30 JJEDRN N#Cc1cc(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)nc2ccc([N+](=O)[O-])cc12 ZINC001458406488 1067054180 /nfs/dbraw/zinc/05/41/80/1067054180.db2.gz QFJXWZUCYBFBAR-UHFFFAOYSA-N 0 0 454.368 4.782 20 30 JJEDRN C=CCN(CCC#N)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 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456.567 4.770 20 30 JJEDRN CC1(C)CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450418125 1067079352 /nfs/dbraw/zinc/07/93/52/1067079352.db2.gz UTOHTVBMXNKPII-OAQYLSRUSA-N 0 0 454.452 4.755 20 30 JJEDRN CCC(CC)(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C#N)CC1)OC ZINC001545796281 1067095830 /nfs/dbraw/zinc/09/58/30/1067095830.db2.gz AGHGGYQOUKQXSO-IBGZPJMESA-N 0 0 474.650 4.685 20 30 JJEDRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC001458622428 1067097274 /nfs/dbraw/zinc/09/72/74/1067097274.db2.gz IOTGAQGYQVQMAC-FDDCHVKYSA-N 0 0 453.608 4.542 20 30 JJEDRN N#C[C@@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC001458623840 1067097584 /nfs/dbraw/zinc/09/75/84/1067097584.db2.gz KTOBZDUXLCDIHZ-LJQANCHMSA-N 0 0 451.375 4.851 20 30 JJEDRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)[C@@H](C#N)CCc3ccccc3)c2)c1 ZINC001450631144 1067097710 /nfs/dbraw/zinc/09/77/10/1067097710.db2.gz VHPLEGJDQMACNC-JOCHJYFZSA-N 0 0 455.514 4.827 20 30 JJEDRN N#C[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(Cl)cc1 ZINC001458628920 1067098951 /nfs/dbraw/zinc/09/89/51/1067098951.db2.gz TWNQEQKZGMXBAX-MRXNPFEDSA-N 0 0 450.669 4.735 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)OC ZINC001545798293 1067099123 /nfs/dbraw/zinc/09/91/23/1067099123.db2.gz IQLAIRPNUZCCPY-PGRDOPGGSA-N 0 0 492.590 4.731 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)OC ZINC001545798886 1067102951 /nfs/dbraw/zinc/10/29/51/1067102951.db2.gz SVLIBQCTSSAYEV-DNQXCXABSA-N 0 0 494.684 4.789 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C#N)C1)OC ZINC001545798943 1067102990 /nfs/dbraw/zinc/10/29/90/1067102990.db2.gz UDBZTIOMDHYNID-RTWAWAEBSA-N 0 0 471.671 4.846 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1)OC ZINC001545799018 1067103702 /nfs/dbraw/zinc/10/37/02/1067103702.db2.gz VSRDFKWKYBCTOK-YLJYHZDGSA-N 0 0 466.413 4.822 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1)OC ZINC001545799015 1067103799 /nfs/dbraw/zinc/10/37/99/1067103799.db2.gz VSRDFKWKYBCTOK-FXAWDEMLSA-N 0 0 466.413 4.822 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1)OC ZINC001545799074 1067103813 /nfs/dbraw/zinc/10/38/13/1067103813.db2.gz WMZTWAWLUWOCRS-VWLOTQADSA-N 0 0 492.668 4.639 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1)OC ZINC001545799017 1067103833 /nfs/dbraw/zinc/10/38/33/1067103833.db2.gz VSRDFKWKYBCTOK-XLIONFOSSA-N 0 0 466.413 4.822 20 30 JJEDRN CCc1cc(N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc(-c2ccncc2)n1 ZINC001458665610 1067103935 /nfs/dbraw/zinc/10/39/35/1067103935.db2.gz KTQZVIADNQZGEE-BETUJISGSA-N 0 0 452.349 4.708 20 30 JJEDRN N#Cc1ccc(OCC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1Br ZINC001458668586 1067104387 /nfs/dbraw/zinc/10/43/87/1067104387.db2.gz OFDOLFVXFKBKHZ-OAHLLOKOSA-N 0 0 453.258 4.734 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1)OC ZINC001545800124 1067105568 /nfs/dbraw/zinc/10/55/68/1067105568.db2.gz BKEYWBCIZMQSCM-RUZDIDTESA-N 0 0 464.658 4.975 20 30 JJEDRN CCC(CC)[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC ZINC001545800518 1067107517 /nfs/dbraw/zinc/10/75/17/1067107517.db2.gz HWWRVCHLXZCQIL-CCDWMCETSA-N 0 0 481.641 4.811 20 30 JJEDRN CCC(CC)[C@@H](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)OC ZINC001545803152 1067112089 /nfs/dbraw/zinc/11/20/89/1067112089.db2.gz IRQPLHMYSAOFCQ-WZOHSFFVSA-N 0 0 492.640 4.633 20 30 JJEDRN C[C@H](c1nccs1)N1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC001458707333 1067112112 /nfs/dbraw/zinc/11/21/12/1067112112.db2.gz MHHMGWTUYKEHMB-MRXNPFEDSA-N 0 0 452.967 4.979 20 30 JJEDRN CCc1c(C)sc2nc(SCCOc3ccccc3C#N)n(C[C@@H]3CCCO3)c(=O)c12 ZINC001458726591 1067119645 /nfs/dbraw/zinc/11/96/45/1067119645.db2.gz FZABKXPVCQYKAZ-KRWDZBQOSA-N 0 0 455.605 4.551 20 30 JJEDRN C=CCn1c(SCC(=O)N(C)C2CCC(C)CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001458727432 1067119758 /nfs/dbraw/zinc/11/97/58/1067119758.db2.gz BHUYDPNXSIIPEQ-CGZBRXJRSA-N 0 0 459.681 4.898 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001458734115 1067124776 /nfs/dbraw/zinc/12/47/76/1067124776.db2.gz NNILMADIXVDCTR-QBPKDAKJSA-N 0 0 459.681 4.754 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001458738823 1067127453 /nfs/dbraw/zinc/12/74/53/1067127453.db2.gz YEDXMTOPBUCTRL-YFHUEUNASA-N 0 0 459.681 4.944 20 30 JJEDRN C=CC[C@H](Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)C(=O)OC ZINC001458738673 1067127472 /nfs/dbraw/zinc/12/74/72/1067127472.db2.gz YLBCGVPCHIZDLO-IBGZPJMESA-N 0 0 453.955 4.529 20 30 JJEDRN C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CC[C@@H](C)C3 ZINC001458744272 1067129525 /nfs/dbraw/zinc/12/95/25/1067129525.db2.gz OBHFFOMQEPOYRB-OAHLLOKOSA-N 0 0 453.633 4.583 20 30 JJEDRN C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3)C(=O)OC ZINC001458775163 1067140132 /nfs/dbraw/zinc/14/01/32/1067140132.db2.gz ZWBUYGIMCQEEEA-SFHVURJKSA-N 0 0 456.589 4.544 20 30 JJEDRN COc1cccc([C@H](OC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c2ccncc2)c1 ZINC001458807322 1067151239 /nfs/dbraw/zinc/15/12/39/1067151239.db2.gz HFFLRVWBAPMYBS-FGZHOGPDSA-N 0 0 453.539 4.700 20 30 JJEDRN C#CCOc1ccc(COC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001458822496 1067156541 /nfs/dbraw/zinc/15/65/41/1067156541.db2.gz HTRYWIXRXWCVPO-UHFFFAOYSA-N 0 0 452.553 4.610 20 30 JJEDRN CCC(CC)c1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C#N)CC2)on1 ZINC001545823219 1067165543 /nfs/dbraw/zinc/16/55/43/1067165543.db2.gz FCMLFZSRYNGLHL-UHFFFAOYSA-N 0 0 472.391 4.716 20 30 JJEDRN CCOc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2=O)cc1 ZINC001458845938 1067170606 /nfs/dbraw/zinc/17/06/06/1067170606.db2.gz BNFZLGGEDYXFCD-NTKDMRAZSA-N 0 0 453.542 4.854 20 30 JJEDRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC001458850952 1067171877 /nfs/dbraw/zinc/17/18/77/1067171877.db2.gz MHXOWCBWPRXDCR-SIBVEZHUSA-N 0 0 453.542 4.716 20 30 JJEDRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001458851718 1067172508 /nfs/dbraw/zinc/17/25/08/1067172508.db2.gz NFPUKPHGQKOUFX-DNOBIOAJSA-N 0 0 450.542 4.631 20 30 JJEDRN N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1 ZINC001451656452 1067183788 /nfs/dbraw/zinc/18/37/88/1067183788.db2.gz LTSAUPKGKJKFFL-MRXNPFEDSA-N 0 0 453.873 4.855 20 30 JJEDRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N ZINC001458890883 1067187706 /nfs/dbraw/zinc/18/77/06/1067187706.db2.gz CZICLEBXJAUQHH-UHFFFAOYSA-N 0 0 457.499 4.866 20 30 JJEDRN C=CCn1c(SCc2noc(Cc3ccc(Br)cc3)n2)nnc1-c1ccco1 ZINC001458899371 1067189660 /nfs/dbraw/zinc/18/96/60/1067189660.db2.gz WEOOUGDMOZMTSF-UHFFFAOYSA-N 0 0 458.341 4.753 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1 ZINC001451741238 1067190884 /nfs/dbraw/zinc/19/08/84/1067190884.db2.gz UGRILWHGIGICRY-FQEVSTJZSA-N 0 0 459.587 4.652 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1cscc1C ZINC001545845750 1067197995 /nfs/dbraw/zinc/19/79/95/1067197995.db2.gz QHVPCUQKCZTGBG-UHFFFAOYSA-N 0 0 462.623 4.655 20 30 JJEDRN COc1ccc([C@@H](C)SCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)cc1 ZINC001458922711 1067198355 /nfs/dbraw/zinc/19/83/55/1067198355.db2.gz QHOGYJHBIKAVMP-YLJYHZDGSA-N 0 0 453.608 4.859 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001451973820 1067201760 /nfs/dbraw/zinc/20/17/60/1067201760.db2.gz OPUQALOJAWLSSM-MAUKXSAKSA-N 0 0 453.505 4.839 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001451972209 1067201773 /nfs/dbraw/zinc/20/17/73/1067201773.db2.gz KTBCMDJUMQQJRK-FXCLAUTBSA-N 0 0 451.489 4.593 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001451973826 1067201859 /nfs/dbraw/zinc/20/18/59/1067201859.db2.gz OPUQALOJAWLSSM-QAPCUYQASA-N 0 0 453.505 4.839 20 30 JJEDRN COc1cc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c(Br)cc1Br ZINC001458936099 1067202316 /nfs/dbraw/zinc/20/23/16/1067202316.db2.gz XJVYTZZPKADTPG-LLVKDONJSA-N 0 0 452.146 4.909 20 30 JJEDRN CCOCn1nc(C)c(C[C@H](C)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c1C ZINC001451978563 1067202261 /nfs/dbraw/zinc/20/22/61/1067202261.db2.gz YBACNGCSHGDPNJ-HOTGVXAUSA-N 0 0 450.505 4.632 20 30 JJEDRN CCOCn1nc(C)c(C[C@H](C)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c1C ZINC001451978594 1067202430 /nfs/dbraw/zinc/20/24/30/1067202430.db2.gz YBACNGCSHGDPNJ-JKSUJKDBSA-N 0 0 450.505 4.632 20 30 JJEDRN N#C[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)C1 ZINC001451992088 1067203139 /nfs/dbraw/zinc/20/31/39/1067203139.db2.gz QUHUPKQCOXOVBF-GXTWGEPZSA-N 0 0 471.888 4.582 20 30 JJEDRN C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001458966486 1067212485 /nfs/dbraw/zinc/21/24/85/1067212485.db2.gz FAFMPEBCVGZCDL-LBPRGKRZSA-N 0 0 452.305 4.924 20 30 JJEDRN N#CCc1ccccc1CC(=O)OCc1ccc(I)c(C(F)(F)F)c1 ZINC001458982025 1067217677 /nfs/dbraw/zinc/21/76/77/1067217677.db2.gz OOCCKHVWAXZMRL-UHFFFAOYSA-N 0 0 459.205 4.662 20 30 JJEDRN CCOc1ccc(-n2c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2cccs2)cc1 ZINC001458986426 1067220107 /nfs/dbraw/zinc/22/01/07/1067220107.db2.gz SCMCGSOFBSIEHM-QFIPXVFZSA-N 0 0 455.609 4.541 20 30 JJEDRN C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(C(=O)OC)ccc3C)o2)cc1 ZINC001458986707 1067220712 /nfs/dbraw/zinc/22/07/12/1067220712.db2.gz FVWJEJNJOSWNIP-HNNXBMFYSA-N 0 0 453.520 4.516 20 30 JJEDRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Cc1cccc(Br)c1 ZINC001458987399 1067221157 /nfs/dbraw/zinc/22/11/57/1067221157.db2.gz XYAHLQZWEKBPMY-UHFFFAOYSA-N 0 0 458.381 4.710 20 30 JJEDRN N#Cc1c(F)cccc1OCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001458995157 1067223450 /nfs/dbraw/zinc/22/34/50/1067223450.db2.gz HEJLVGGUZNARFC-UHFFFAOYSA-N 0 0 457.383 4.986 20 30 JJEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC001458995222 1067223942 /nfs/dbraw/zinc/22/39/42/1067223942.db2.gz CPICOJMRAHVMQN-JOCHJYFZSA-N 0 0 452.555 4.603 20 30 JJEDRN C=CCn1c(SCC(=O)c2cc3c(cc2F)NC(=O)CC3)nnc1-c1cccc(Cl)c1 ZINC001459001935 1067226343 /nfs/dbraw/zinc/22/63/43/1067226343.db2.gz RMISNHPNPOAKQV-UHFFFAOYSA-N 0 0 456.930 4.783 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC001452496721 1067228689 /nfs/dbraw/zinc/22/86/89/1067228689.db2.gz JFPUEHXRMDRIDU-OAQYLSRUSA-N 0 0 458.543 4.969 20 30 JJEDRN C=CC[C@]1(C(=O)NCCCc2nc(-c3ccccn3)cs2)CCCN1C(=O)OC(C)(C)C ZINC001452496793 1067228720 /nfs/dbraw/zinc/22/87/20/1067228720.db2.gz PIUOESDLEARRSL-XMMPIXPASA-N 0 0 456.612 4.600 20 30 JJEDRN CCOC(=O)c1sc2nc(CSc3ccc(C#N)c(C(F)(F)F)c3)nc(N)c2c1C ZINC001459015121 1067229260 /nfs/dbraw/zinc/22/92/60/1067229260.db2.gz KHJJFMYGQIKUMS-UHFFFAOYSA-N 0 0 452.483 4.941 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC001452502653 1067229458 /nfs/dbraw/zinc/22/94/58/1067229458.db2.gz VBGDOCVMWQTEKV-JOCHJYFZSA-N 0 0 452.396 4.870 20 30 JJEDRN O=C(CCNC(=O)c1ccc(F)cc1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459016369 1067229792 /nfs/dbraw/zinc/22/97/92/1067229792.db2.gz WFDVRRUDBKRBOV-INIZCTEOSA-N 0 0 450.354 4.774 20 30 JJEDRN CC(C)[C@H](NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC001459016951 1067229800 /nfs/dbraw/zinc/22/98/00/1067229800.db2.gz QOFPZJQKQCPTNH-NRFANRHFSA-N 0 0 450.482 4.954 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC001459037449 1067235727 /nfs/dbraw/zinc/23/57/27/1067235727.db2.gz UTBUQQKWVXLUOF-HNNXBMFYSA-N 0 0 455.540 4.867 20 30 JJEDRN N#CC1(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CCCC1 ZINC001452781008 1067251950 /nfs/dbraw/zinc/25/19/50/1067251950.db2.gz ZVPFQGOTHBDDCS-UHFFFAOYSA-N 0 0 455.971 4.532 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)O1 ZINC001546045664 1067260090 /nfs/dbraw/zinc/26/00/90/1067260090.db2.gz REFCYQKYLVNCEV-QGUKFAFCSA-N 0 0 464.614 4.625 20 30 JJEDRN C=CCOC(=O)c1sc(NC(=O)CSC[C@@H]2CC[C@H]3C[C@H]3C2)c(C(=O)OCC)c1C ZINC001459197788 1067270021 /nfs/dbraw/zinc/27/00/21/1067270021.db2.gz MZEQQAGDEDPBTG-OWCLPIDISA-N 0 0 451.610 4.684 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001452997817 1067272617 /nfs/dbraw/zinc/27/26/17/1067272617.db2.gz GWQPOZJOWZBBGH-IBGZPJMESA-N 0 0 456.414 4.892 20 30 JJEDRN C=CC[C@@H]1CCCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC001452997940 1067272891 /nfs/dbraw/zinc/27/28/91/1067272891.db2.gz HXJVFWYAKQLUAU-OAQYLSRUSA-N 0 0 454.636 4.891 20 30 JJEDRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C)(C#N)CC2)O1 ZINC001546047546 1067276125 /nfs/dbraw/zinc/27/61/25/1067276125.db2.gz AMNPOQQPLHOXTM-KKSFZXQISA-N 0 0 461.408 4.513 20 30 JJEDRN CCn1c(CSc2c(C)cccc2C#N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC001459238910 1067276099 /nfs/dbraw/zinc/27/60/99/1067276099.db2.gz NXHQFFRDBFBZEG-UHFFFAOYSA-N 0 0 454.621 4.703 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@@H](C)CC#N)O1 ZINC001546047647 1067278252 /nfs/dbraw/zinc/27/82/52/1067278252.db2.gz BKIPDHBGTNJLLN-CMPZQBNXSA-N 0 0 464.383 4.933 20 30 JJEDRN C=CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)cc1OC ZINC001453120488 1067280790 /nfs/dbraw/zinc/28/07/90/1067280790.db2.gz ZDALQSOYANDCSE-FGZHOGPDSA-N 0 0 466.578 4.783 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)c3cc4ccccc4n3CC#N)C2)CC1 ZINC001453333605 1067298622 /nfs/dbraw/zinc/29/86/22/1067298622.db2.gz HIDWLGUUGAAIPF-OAQYLSRUSA-N 0 0 450.583 4.664 20 30 JJEDRN O=C(CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1ccc(Br)cc1F ZINC001459350435 1067301100 /nfs/dbraw/zinc/30/11/00/1067301100.db2.gz XROHCOAHTBFPHG-DTORHVGOSA-N 0 0 451.180 4.589 20 30 JJEDRN C#CCN(Cc1ccn(-c2ccc(F)cc2F)n1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001459514336 1067342289 /nfs/dbraw/zinc/34/22/89/1067342289.db2.gz PODKFHLWGNGZOZ-HXUWFJFHSA-N 0 0 458.306 4.872 20 30 JJEDRN N#CCOc1ccc(CN2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)cc1 ZINC001459513472 1067342436 /nfs/dbraw/zinc/34/24/36/1067342436.db2.gz IGCGTWZBGDXRLL-HXUWFJFHSA-N 0 0 453.340 4.662 20 30 JJEDRN N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(c4cccc(Br)c4)CC3)C2)c(F)c1 ZINC001459515554 1067342760 /nfs/dbraw/zinc/34/27/60/1067342760.db2.gz PFIZTFBMIVKAJD-LJQANCHMSA-N 0 0 456.359 4.692 20 30 JJEDRN CCCc1c(C(=O)N2CCC(C#N)(c3ccccn3)CC2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001459529284 1067345800 /nfs/dbraw/zinc/34/58/00/1067345800.db2.gz PLSHUQWRNZYDLW-UHFFFAOYSA-N 0 0 456.594 4.610 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC001459612157 1067363691 /nfs/dbraw/zinc/36/36/91/1067363691.db2.gz COZSJTUPUCQOOK-NRFANRHFSA-N 0 0 451.571 4.802 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1 ZINC001459615726 1067364885 /nfs/dbraw/zinc/36/48/85/1067364885.db2.gz KZFYXXXVFFSYKY-UHFFFAOYSA-N 0 0 454.486 4.746 20 30 JJEDRN N#Cc1ccc(CN2CCC(Oc3ccccc3I)CC2)c(Cl)c1 ZINC001459626901 1067367673 /nfs/dbraw/zinc/36/76/73/1067367673.db2.gz ILNPFJNACUWVPW-UHFFFAOYSA-N 0 0 452.723 4.860 20 30 JJEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCOC3(C2)CCCCCC3)c1C#N ZINC001459666616 1067376769 /nfs/dbraw/zinc/37/67/69/1067376769.db2.gz FAKMDXYRAXXXDF-UHFFFAOYSA-N 0 0 452.574 4.528 20 30 JJEDRN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001459668159 1067377419 /nfs/dbraw/zinc/37/74/19/1067377419.db2.gz HGSZVVCMVUBUHP-SFHVURJKSA-N 0 0 457.521 4.662 20 30 JJEDRN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC001459669799 1067378612 /nfs/dbraw/zinc/37/86/12/1067378612.db2.gz JSYURAQBNDPQPC-SANMLTNESA-N 0 0 459.977 4.911 20 30 JJEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)c1C#N ZINC001459675994 1067380513 /nfs/dbraw/zinc/38/05/13/1067380513.db2.gz GLZHUYDOXWNLSE-UHFFFAOYSA-N 0 0 454.477 4.611 20 30 JJEDRN N#Cc1cc(Br)cc(COC(=O)[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC001459677795 1067381185 /nfs/dbraw/zinc/38/11/85/1067381185.db2.gz WQUSFFVRJFRBCI-OAHLLOKOSA-N 0 0 451.114 4.693 20 30 JJEDRN CCOC(=O)C[C@H](c1ccccc1)C1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC001459716134 1067393641 /nfs/dbraw/zinc/39/36/41/1067393641.db2.gz KBDQUPLXWDSSAH-PGRDOPGGSA-N 0 0 451.567 4.544 20 30 JJEDRN COc1ccccc1COC1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC001459773242 1067415990 /nfs/dbraw/zinc/41/59/90/1067415990.db2.gz GCEZIQZQLYFNRS-UHFFFAOYSA-N 0 0 455.986 4.585 20 30 JJEDRN CCc1c(NC(=O)CCOCC(F)(F)C(F)(F)F)cnn1-c1cccc(C(F)(F)F)c1 ZINC001459782355 1067419392 /nfs/dbraw/zinc/41/93/92/1067419392.db2.gz DWQHBNVMMFIHRU-UHFFFAOYSA-N 0 0 459.337 4.996 20 30 JJEDRN CCOC(=O)c1sc2ccccc2c1CN1CCN(CC#Cc2ccccc2Cl)CC1 ZINC001459800949 1067429661 /nfs/dbraw/zinc/42/96/61/1067429661.db2.gz HKFBYOZMKZJXPR-UHFFFAOYSA-N 0 0 453.007 4.901 20 30 JJEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)c1C#N ZINC001459821578 1067438649 /nfs/dbraw/zinc/43/86/49/1067438649.db2.gz WEMUCAAJODTLKM-UHFFFAOYSA-N 0 0 455.537 4.639 20 30 JJEDRN COC[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC001459838409 1067447604 /nfs/dbraw/zinc/44/76/04/1067447604.db2.gz XWUUJMLXXOLICV-DNVCBOLYSA-N 0 0 451.514 4.873 20 30 JJEDRN Cc1ccc(S(=O)(=O)NC[C@H](NCC#Cc2ccccc2Cl)c2ccccc2)c(C)c1 ZINC001459847166 1067452510 /nfs/dbraw/zinc/45/25/10/1067452510.db2.gz BEYJCBNHLCXMOF-DEOSSOPVSA-N 0 0 453.007 4.618 20 30 JJEDRN COc1cc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1C#N ZINC001459858297 1067460354 /nfs/dbraw/zinc/46/03/54/1067460354.db2.gz WNMCPCRKAZWXIL-UHFFFAOYSA-N 0 0 450.882 4.671 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC001459874330 1067468814 /nfs/dbraw/zinc/46/88/14/1067468814.db2.gz GLNDKZVKMDVMLR-CVDCTZTESA-N 0 0 457.521 4.614 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC001459874328 1067468907 /nfs/dbraw/zinc/46/89/07/1067468907.db2.gz GLNDKZVKMDVMLR-AUSIDOKSSA-N 0 0 457.521 4.614 20 30 JJEDRN CN(C(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1)c1ccccc1 ZINC001459900020 1067479645 /nfs/dbraw/zinc/47/96/45/1067479645.db2.gz FZMMETHZGMEFDX-UHFFFAOYSA-N 0 0 457.505 4.658 20 30 JJEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC001459950058 1067503995 /nfs/dbraw/zinc/50/39/95/1067503995.db2.gz HBKRWMUILHTOTR-MRXNPFEDSA-N 0 0 451.514 4.906 20 30 JJEDRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001459956490 1067506816 /nfs/dbraw/zinc/50/68/16/1067506816.db2.gz BFZKDIOLSIHDAW-ZJBJCVSYSA-N 0 0 451.954 4.573 20 30 JJEDRN N#Cc1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1Br ZINC001459969783 1067510762 /nfs/dbraw/zinc/51/07/62/1067510762.db2.gz UTQLRAYLKHMQLZ-UHFFFAOYSA-N 0 0 452.230 4.719 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2ccnc(OC)c2)nnc1-c1ccc(Cl)cc1Cl ZINC001459976322 1067512573 /nfs/dbraw/zinc/51/25/73/1067512573.db2.gz PQWLQXNDBVQPSN-UHFFFAOYSA-N 0 0 450.351 4.572 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)c1ccc(I)cc1 ZINC001459978731 1067513886 /nfs/dbraw/zinc/51/38/86/1067513886.db2.gz BSXIALSUVBWYQN-INIZCTEOSA-N 0 0 451.352 4.777 20 30 JJEDRN C=C(C)[C@H](NCC(=O)Nc1ccc(I)cc1C)c1ccc(F)c(F)c1 ZINC001459981297 1067514760 /nfs/dbraw/zinc/51/47/60/1067514760.db2.gz XRQDKQJNRLIORK-IBGZPJMESA-N 0 0 456.274 4.723 20 30 JJEDRN CC(C)(C)c1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n(-c2ccc(C#N)cc2)n1 ZINC001459994393 1067519203 /nfs/dbraw/zinc/51/92/03/1067519203.db2.gz JJXBUUGQOABFPA-UHFFFAOYSA-N 0 0 450.926 4.647 20 30 JJEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCN([C@H](C)c3ccsc3)CC2)c1C#N ZINC001459997844 1067520213 /nfs/dbraw/zinc/52/02/13/1067520213.db2.gz YIVVAIVQLMRPQY-HXUWFJFHSA-N 0 0 453.656 4.861 20 30 JJEDRN C[C@@H]1CN(c2ccc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC001459999611 1067520890 /nfs/dbraw/zinc/52/08/90/1067520890.db2.gz XRFMATZDDJHHGF-KDURUIRLSA-N 0 0 457.578 4.907 20 30 JJEDRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001460048296 1067538947 /nfs/dbraw/zinc/53/89/47/1067538947.db2.gz TYGRLZCXUPCHDE-PMACEKPBSA-N 0 0 452.769 4.743 20 30 JJEDRN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)c2)C1=O ZINC001460063815 1067543765 /nfs/dbraw/zinc/54/37/65/1067543765.db2.gz VFKHAHZACYUMDV-QFIPXVFZSA-N 0 0 454.486 4.746 20 30 JJEDRN CCCCN(C(=O)COc1c(Br)cc(C#N)cc1OCC)[C@@H]1CCCC[C@H]1OC ZINC001460069245 1067545724 /nfs/dbraw/zinc/54/57/24/1067545724.db2.gz NDUOWSNHUXWUPH-RTBURBONSA-N 0 0 467.404 4.685 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)CCN[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cc1 ZINC001460082736 1067549427 /nfs/dbraw/zinc/54/94/27/1067549427.db2.gz RLCKBQWFXFXFOP-SFHVURJKSA-N 0 0 456.782 4.514 20 30 JJEDRN COc1cc(/C=C\C(=O)Nc2c(C#N)c(C)c3ccccn32)ccc1OCc1c(C)noc1C ZINC001460093885 1067552717 /nfs/dbraw/zinc/55/27/17/1067552717.db2.gz VMRMIMDPDFDNJY-LUAWRHEFSA-N 0 0 456.502 4.964 20 30 JJEDRN C=CC[C@@]1(C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C ZINC001460180497 1067572724 /nfs/dbraw/zinc/57/27/24/1067572724.db2.gz NGFCZTXKJVDTOW-CJAUYULYSA-N 0 0 452.636 4.985 20 30 JJEDRN COC(=O)[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccc(C)c(C)c1 ZINC001460220450 1067582766 /nfs/dbraw/zinc/58/27/66/1067582766.db2.gz YYDZJBDUJLYOOF-XMMPIXPASA-N 0 0 450.583 4.541 20 30 JJEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1C ZINC001460285803 1067598684 /nfs/dbraw/zinc/59/86/84/1067598684.db2.gz NBNTWVCZYVSOOH-IBGZPJMESA-N 0 0 456.525 4.896 20 30 JJEDRN COc1cc(C(=O)Nc2c(C)c(C#N)nn2-c2cccnc2)cc(Cl)c1OCCC(C)C ZINC001460302464 1067602712 /nfs/dbraw/zinc/60/27/12/1067602712.db2.gz SBKBCXODIIXVRE-UHFFFAOYSA-N 0 0 453.930 4.787 20 30 JJEDRN N#Cc1cccc(OCCCCC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c1 ZINC001460306957 1067603855 /nfs/dbraw/zinc/60/38/55/1067603855.db2.gz FYBHIHMBUORIAQ-UHFFFAOYSA-N 0 0 453.542 4.878 20 30 JJEDRN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001460366463 1067619528 /nfs/dbraw/zinc/61/95/28/1067619528.db2.gz WHSXPCJKQLYPIN-IOXSGPKDSA-N 0 0 457.416 4.608 20 30 JJEDRN C[C@H](N[C@@H](C)c1cc(F)c(Br)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001460445284 1067636355 /nfs/dbraw/zinc/63/63/55/1067636355.db2.gz JJQSSXFBOROMEQ-UWVGGRQHSA-N 0 0 454.340 4.827 20 30 JJEDRN CCc1c(C(=O)Nc2ccc(Br)c(C#N)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC001460573726 1067658589 /nfs/dbraw/zinc/65/85/89/1067658589.db2.gz YYCUPAWVONZYCC-UHFFFAOYSA-N 0 0 454.328 4.503 20 30 JJEDRN CNc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C)c(F)cc1C(=O)NCC(F)(F)F ZINC001460587384 1067663248 /nfs/dbraw/zinc/66/32/48/1067663248.db2.gz ITUKFQYAZGVMPB-UHFFFAOYSA-N 0 0 451.342 4.739 20 30 JJEDRN Cc1cc(C(C)(C)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)ccc1Br ZINC001460613081 1067672372 /nfs/dbraw/zinc/67/23/72/1067672372.db2.gz CGDNAKFGPRPTHV-KRWDZBQOSA-N 0 0 452.393 4.696 20 30 JJEDRN CCc1ccc([C@@H](C#N)NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC001460631032 1067678483 /nfs/dbraw/zinc/67/84/83/1067678483.db2.gz ABYOZEDZIOLUOA-HSZRJFAPSA-N 0 0 453.571 4.970 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@H](C#N)c2ccc(CC)cc2)nnc1-c1ccc(Cl)cc1 ZINC001460631324 1067678918 /nfs/dbraw/zinc/67/89/18/1067678918.db2.gz BMOLDHKFDITHJC-HXUWFJFHSA-N 0 0 451.983 4.820 20 30 JJEDRN O=C(CN1CC[C@H](Oc2cccc(F)c2)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460641056 1067682010 /nfs/dbraw/zinc/68/20/10/1067682010.db2.gz XDIVZJDUUDZXRJ-KRWDZBQOSA-N 0 0 450.354 4.955 20 30 JJEDRN CCc1ccc([C@H](C#N)NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC001460643990 1067683723 /nfs/dbraw/zinc/68/37/23/1067683723.db2.gz PCLUPDUCFPFRBF-FQEVSTJZSA-N 0 0 454.452 4.634 20 30 JJEDRN CCc1ccc([C@@H](C#N)NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC001460644000 1067683766 /nfs/dbraw/zinc/68/37/66/1067683766.db2.gz PCLUPDUCFPFRBF-HXUWFJFHSA-N 0 0 454.452 4.634 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC001460753705 1067716607 /nfs/dbraw/zinc/71/66/07/1067716607.db2.gz ZBBGVJLQCNBVMT-DOTOQJQBSA-N 0 0 450.423 4.692 20 30 JJEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(Cc2cnn(C)c2)c2ccc(C)cc2)c1C#N ZINC001460755155 1067716880 /nfs/dbraw/zinc/71/68/80/1067716880.db2.gz NUXDWPJKXXPNGW-UHFFFAOYSA-N 0 0 452.562 4.653 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)c1cn2c(Br)cnc2s1 ZINC001460782208 1067722616 /nfs/dbraw/zinc/72/26/16/1067722616.db2.gz ZCQQOBDERCPWQK-UHFFFAOYSA-N 0 0 457.147 4.738 20 30 JJEDRN C#C[C@@H](NC(=O)c1cccnc1SCc1c(C)noc1C)c1ccc(Br)cc1 ZINC001460792065 1067723999 /nfs/dbraw/zinc/72/39/99/1067723999.db2.gz YIGANDZARCBQEG-LJQANCHMSA-N 0 0 456.365 4.846 20 30 JJEDRN N#Cc1c(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cccc1OC(F)(F)F ZINC001460821706 1067729366 /nfs/dbraw/zinc/72/93/66/1067729366.db2.gz XOPPPMVYHUSLLB-UHFFFAOYSA-N 0 0 451.360 4.510 20 30 JJEDRN N#Cc1ccc([C@H]2CN(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCO2)cc1 ZINC001460858303 1067735907 /nfs/dbraw/zinc/73/59/07/1067735907.db2.gz KHMSKWIMQLGZFS-GOSISDBHSA-N 0 0 457.374 4.608 20 30 JJEDRN C#Cc1cccc(CNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)c1 ZINC001460890468 1067744329 /nfs/dbraw/zinc/74/43/29/1067744329.db2.gz UBHYUQGFRRWSSR-UHFFFAOYSA-N 0 0 452.510 4.839 20 30 JJEDRN N#Cc1ccc(CNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1F ZINC001460906515 1067746187 /nfs/dbraw/zinc/74/61/87/1067746187.db2.gz JYSFYWJEAMIHDW-UHFFFAOYSA-N 0 0 452.283 4.642 20 30 JJEDRN N#Cc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1F ZINC001460910899 1067746540 /nfs/dbraw/zinc/74/65/40/1067746540.db2.gz VEHSJEGQCCWZFY-UHFFFAOYSA-N 0 0 450.310 4.510 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC001461064921 1067774174 /nfs/dbraw/zinc/77/41/74/1067774174.db2.gz JHJCTTSDDBXPPL-SJKOYZFVSA-N 0 0 453.258 4.885 20 30 JJEDRN C#CC[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)C1 ZINC001461143294 1067788196 /nfs/dbraw/zinc/78/81/96/1067788196.db2.gz YAFSAEWYIWSZEA-QGZVFWFLSA-N 0 0 454.983 4.594 20 30 JJEDRN N#Cc1cc(Br)c(OC(=O)c2cncc(C(F)(F)F)c2)c(Br)c1 ZINC001461147625 1067789188 /nfs/dbraw/zinc/78/91/88/1067789188.db2.gz GGJSQMGLAZZBQR-UHFFFAOYSA-N 0 0 450.008 4.716 20 30 JJEDRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Oc2c(Br)cc(C#N)cc2Br)cc1 ZINC001461149683 1067789972 /nfs/dbraw/zinc/78/99/72/1067789972.db2.gz NPXAZTMQKRQKQI-LSDHHAIUSA-N 0 0 464.157 4.858 20 30 JJEDRN N#CCc1ccc(CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1 ZINC001461156940 1067790741 /nfs/dbraw/zinc/79/07/41/1067790741.db2.gz VKHCENSPLOXACD-UHFFFAOYSA-N 0 0 452.358 4.906 20 30 JJEDRN Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001461312458 1067825622 /nfs/dbraw/zinc/82/56/22/1067825622.db2.gz ODECBYROHVKYLV-UHFFFAOYSA-N 0 0 458.499 4.502 20 30 JJEDRN N#Cc1cccc2c1CCCN2C(=O)c1cccn1-c1cccc(I)c1 ZINC001461365474 1067839368 /nfs/dbraw/zinc/83/93/68/1067839368.db2.gz YJVIDLDYAIVEFA-UHFFFAOYSA-N 0 0 453.283 4.547 20 30 JJEDRN Cc1c2cc(Br)ccc2sc1C(=O)Nc1c(C#N)nnn1Cc1ccccc1 ZINC001461443418 1067857745 /nfs/dbraw/zinc/85/77/45/1067857745.db2.gz JWQJRTAHZGYVJM-UHFFFAOYSA-N 0 0 452.337 4.736 20 30 JJEDRN N#Cc1cc(NCc2c(F)ccc(I)c2F)ccc1OC(F)(F)F ZINC001461459136 1067861677 /nfs/dbraw/zinc/86/16/77/1067861677.db2.gz AKVCCXBDENELFS-UHFFFAOYSA-N 0 0 454.136 4.952 20 30 JJEDRN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001461469578 1067865428 /nfs/dbraw/zinc/86/54/28/1067865428.db2.gz HMMGVJXUUZLLFS-NTUVXCKYSA-N 0 0 465.569 4.785 20 30 JJEDRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccccc2OCC#N)cc1 ZINC001461475228 1067868000 /nfs/dbraw/zinc/86/80/00/1067868000.db2.gz JJEXDIKHNSVRGH-GMAHTHKFSA-N 0 0 479.577 4.511 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cc(Cl)cc(Cl)c1 ZINC001461524874 1067881410 /nfs/dbraw/zinc/88/14/10/1067881410.db2.gz TWSVXMXVCWTFLC-UHFFFAOYSA-N 0 0 458.139 4.721 20 30 JJEDRN C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001461533003 1067883115 /nfs/dbraw/zinc/88/31/15/1067883115.db2.gz XSDUZIQZKBDTGC-KXBFYZLASA-N 0 0 459.439 4.645 20 30 JJEDRN C[C@@H]1CN(C(=O)c2ccc(NCc3cccc(OCc4ccccc4C#N)c3)cc2)C[C@@H](C)O1 ZINC001461563208 1067888840 /nfs/dbraw/zinc/88/88/40/1067888840.db2.gz FCWVGMDFGHINKP-NHCUHLMSSA-N 0 0 455.558 4.999 20 30 JJEDRN C[C@@H](CC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001461599902 1067899222 /nfs/dbraw/zinc/89/92/22/1067899222.db2.gz GHNUFMFWZRANCO-NSHDSACASA-N 0 0 451.404 4.548 20 30 JJEDRN C=CCn1c(SCC(=O)N(C)CC2=CCSC2)nnc1-c1ccc(Cl)cc1Cl ZINC001461742873 1067929200 /nfs/dbraw/zinc/92/92/00/1067929200.db2.gz UGJDXSHQCGKLIB-UHFFFAOYSA-N 0 0 455.436 4.662 20 30 JJEDRN N#C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1Br ZINC001461743634 1067929231 /nfs/dbraw/zinc/92/92/31/1067929231.db2.gz NZKRJJCREAOMQD-AWEZNQCLSA-N 0 0 458.537 4.625 20 30 JJEDRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(c2ccc(C#N)cc2)C2CCC2)CC1 ZINC001461766475 1067933037 /nfs/dbraw/zinc/93/30/37/1067933037.db2.gz DQKNJMJRDOLSQP-UHFFFAOYSA-N 0 0 451.954 4.658 20 30 JJEDRN COc1cc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c(F)cc1C#N ZINC001461829776 1067943244 /nfs/dbraw/zinc/94/32/44/1067943244.db2.gz XMDXLULFMPAMAN-UHFFFAOYSA-N 0 0 455.515 4.793 20 30 JJEDRN Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(I)c1 ZINC001461884933 1067954437 /nfs/dbraw/zinc/95/44/37/1067954437.db2.gz LZPYDJZPINCOHC-AOOOYVTPSA-N 0 0 455.155 4.993 20 30 JJEDRN C#CCOc1cccc(Cl)c1CN1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001461970202 1067971849 /nfs/dbraw/zinc/97/18/49/1067971849.db2.gz QIVHRQSNDFYYDI-UHFFFAOYSA-N 0 0 455.986 4.932 20 30 JJEDRN C=CC[C@@]1(C(=O)N(C)Cc2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C ZINC001462013981 1067980849 /nfs/dbraw/zinc/98/08/49/1067980849.db2.gz IPQXYTSMSAEZLE-NRFANRHFSA-N 0 0 455.368 4.892 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cccc2C1 ZINC001462040586 1067987266 /nfs/dbraw/zinc/98/72/66/1067987266.db2.gz VNSBMMGDCLDVMD-UHFFFAOYSA-N 0 0 451.542 4.585 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)cc1OC ZINC001462048170 1067990037 /nfs/dbraw/zinc/99/00/37/1067990037.db2.gz HVILITIPSKRBRS-OVYYCFEDSA-N 0 0 456.583 4.566 20 30 JJEDRN CC(C)(C)OC(=O)N1CCOC[C@@H](Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC001462077032 1067997037 /nfs/dbraw/zinc/99/70/37/1067997037.db2.gz RLTLVQFPMDDVKW-FQEVSTJZSA-N 0 0 457.958 4.838 20 30 JJEDRN O=c1c(CN2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cccn1C(F)F ZINC001462136172 1068013326 /nfs/dbraw/zinc/01/33/26/1068013326.db2.gz IJDZLFHPDWFFSW-OAHLLOKOSA-N 0 0 456.333 4.855 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001462230072 1068034055 /nfs/dbraw/zinc/03/40/55/1068034055.db2.gz ROGAIPJOKLKYMH-XXBNENTESA-N 0 0 451.970 4.990 20 30 JJEDRN Cc1c(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001462321101 1068050772 /nfs/dbraw/zinc/05/07/72/1068050772.db2.gz FWRDWGYJQYEXRN-UHFFFAOYSA-N 0 0 450.424 4.568 20 30 JJEDRN C[C@@H](C#N)N(CCC1(NC(=O)OC(C)(C)C)CCOCC1)Cc1cccc(C(F)(F)F)c1 ZINC001462362965 1068060209 /nfs/dbraw/zinc/06/02/09/1068060209.db2.gz ILKQWVYXDLNYKZ-KRWDZBQOSA-N 0 0 455.521 4.883 20 30 JJEDRN CC(C)(C#N)c1ccc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC001462743425 1068151851 /nfs/dbraw/zinc/15/18/51/1068151851.db2.gz YTMYLOBWCANTAW-UHFFFAOYSA-N 0 0 456.571 4.819 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC[C@@H]2C[C@H]2C2CC2)c1 ZINC001462760676 1068158276 /nfs/dbraw/zinc/15/82/76/1068158276.db2.gz DFPOMLAXAYBZGF-NQIIRXRSSA-N 0 0 459.011 4.887 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC001462790552 1068167940 /nfs/dbraw/zinc/16/79/40/1068167940.db2.gz BWANFGTVDPZFHF-BSRJHKFKSA-N 0 0 459.011 4.887 20 30 JJEDRN CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CCCC1 ZINC001546134128 1068170114 /nfs/dbraw/zinc/17/01/14/1068170114.db2.gz MSLSDZCYRXVURT-GOSISDBHSA-N 0 0 460.548 4.860 20 30 JJEDRN C/C(=C/C(=O)Nc1ccc(C#N)cc1I)c1ccccc1OC(F)F ZINC001462860274 1068194040 /nfs/dbraw/zinc/19/40/40/1068194040.db2.gz CZBJYKDHWXOLLY-FLIBITNWSA-N 0 0 454.214 4.806 20 30 JJEDRN N#CCc1ccccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC001462877920 1068200221 /nfs/dbraw/zinc/20/02/21/1068200221.db2.gz YPCRWYIRAWKWPY-OAQYLSRUSA-N 0 0 459.340 4.722 20 30 JJEDRN N#CC[C@@H](NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)C(F)(F)F ZINC001462894462 1068206091 /nfs/dbraw/zinc/20/60/91/1068206091.db2.gz XMKLXCKHMDVSDQ-CQSZACIVSA-N 0 0 450.770 4.608 20 30 JJEDRN COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)c2ccc(CC#N)cc2Cl)cc1 ZINC001462952988 1068227619 /nfs/dbraw/zinc/22/76/19/1068227619.db2.gz ZXSVIIUPERLNJJ-JOCHJYFZSA-N 0 0 458.942 4.816 20 30 JJEDRN C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(Br)c(C#N)c2)c1 ZINC001463009173 1068249274 /nfs/dbraw/zinc/24/92/74/1068249274.db2.gz YHWDANWLVFWWLL-UHFFFAOYSA-N 0 0 457.374 4.759 20 30 JJEDRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001463016497 1068252666 /nfs/dbraw/zinc/25/26/66/1068252666.db2.gz MHPNGSFHLBSVPO-UHFFFAOYSA-N 0 0 459.886 4.963 20 30 JJEDRN Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC001463020714 1068254560 /nfs/dbraw/zinc/25/45/60/1068254560.db2.gz WCBQWNQZRQWJIZ-UHFFFAOYSA-N 0 0 458.518 4.858 20 30 JJEDRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)c3ccccc3Oc3ccccc3C#N)cc2C1 ZINC001463050089 1068265766 /nfs/dbraw/zinc/26/57/66/1068265766.db2.gz OKUMVWZUHZYTRZ-UHFFFAOYSA-N 0 0 459.506 4.550 20 30 JJEDRN N#Cc1ncccc1S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001463072534 1068277403 /nfs/dbraw/zinc/27/74/03/1068277403.db2.gz PUASZSCBRXQHEX-SFHVURJKSA-N 0 0 450.322 4.661 20 30 JJEDRN CN(Cc1cc(C#N)cs1)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001463074783 1068278574 /nfs/dbraw/zinc/27/85/74/1068278574.db2.gz CGNQXVYJVIGIEL-UHFFFAOYSA-N 0 0 454.349 4.907 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)s1 ZINC001463099009 1068286218 /nfs/dbraw/zinc/28/62/18/1068286218.db2.gz UQMNSSJHTRFDJK-UHFFFAOYSA-N 0 0 456.524 4.544 20 30 JJEDRN Cn1cc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c(C2CCCC2)n1 ZINC001463108079 1068290055 /nfs/dbraw/zinc/29/00/55/1068290055.db2.gz DIOHRUCTSRSIIY-UHFFFAOYSA-N 0 0 454.983 4.998 20 30 JJEDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC001463111023 1068290704 /nfs/dbraw/zinc/29/07/04/1068290704.db2.gz JGCANKMNAIMJEK-UHFFFAOYSA-N 0 0 457.895 4.524 20 30 JJEDRN N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3cccc(Br)c3F)c2)s1 ZINC001463139870 1068300420 /nfs/dbraw/zinc/30/04/20/1068300420.db2.gz VJCOVXLYNMOJAB-UHFFFAOYSA-N 0 0 451.342 4.667 20 30 JJEDRN CN1CCCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(F)ccc21 ZINC001463148047 1068303101 /nfs/dbraw/zinc/30/31/01/1068303101.db2.gz YYBHXGLHKXJEPM-UHFFFAOYSA-N 0 0 456.383 4.899 20 30 JJEDRN Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)oc1Br ZINC001463157108 1068306398 /nfs/dbraw/zinc/30/63/98/1068306398.db2.gz WYOOXKQCFFYSQK-KNVOCYPGSA-N 0 0 456.127 4.594 20 30 JJEDRN CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC001463204784 1068319574 /nfs/dbraw/zinc/31/95/74/1068319574.db2.gz AXJFTXKIAITHNE-UHFFFAOYSA-N 0 0 453.995 4.535 20 30 JJEDRN CC[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)Oc1ccccc1C(F)(F)F ZINC001463243057 1068332609 /nfs/dbraw/zinc/33/26/09/1068332609.db2.gz WMUVNYACWNJBLH-NSHDSACASA-N 0 0 459.383 4.999 20 30 JJEDRN N#Cc1cc(Br)ccc1OS(=O)(=O)c1c(Cl)cccc1Br ZINC001463299373 1068349109 /nfs/dbraw/zinc/34/91/09/1068349109.db2.gz HBMAZJHWUNDTJK-UHFFFAOYSA-N 0 0 451.523 4.504 20 30 JJEDRN N#Cc1c(Br)cccc1S(=O)(=O)Oc1c(C=O)cc(Cl)c2ccccc21 ZINC001463429477 1068394470 /nfs/dbraw/zinc/39/44/70/1068394470.db2.gz ABWFNYGSBVYZSO-UHFFFAOYSA-N 0 0 450.697 4.708 20 30 JJEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCCC[C@H]1CC(=O)c1cccs1 ZINC001463477764 1068414913 /nfs/dbraw/zinc/41/49/13/1068414913.db2.gz YUKQDNMRYXYTDF-INIZCTEOSA-N 0 0 456.511 4.845 20 30 JJEDRN Cc1cccc(Oc2ccc(S(=O)(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)c1 ZINC001463508253 1068423294 /nfs/dbraw/zinc/42/32/94/1068423294.db2.gz YLINQSCYSTUXPO-UHFFFAOYSA-N 0 0 458.543 4.538 20 30 JJEDRN CC(C)(CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 ZINC001463536750 1068432226 /nfs/dbraw/zinc/43/22/26/1068432226.db2.gz IUFVNKLPDIXLCN-UHFFFAOYSA-N 0 0 450.404 4.852 20 30 JJEDRN CC(C)(CNS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001463542071 1068435298 /nfs/dbraw/zinc/43/52/98/1068435298.db2.gz UAZQKMXPSLOFHX-UHFFFAOYSA-N 0 0 459.383 4.999 20 30 JJEDRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cccc(C#N)c1C ZINC001463582256 1068455272 /nfs/dbraw/zinc/45/52/72/1068455272.db2.gz MUANSXVFBJJKRU-UHFFFAOYSA-N 0 0 455.923 4.582 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1Cl ZINC001463623566 1068470827 /nfs/dbraw/zinc/47/08/27/1068470827.db2.gz CTLINYUTUUFLQU-UHFFFAOYSA-N 0 0 452.963 4.551 20 30 JJEDRN COc1ccccc1-c1csc([C@@H]2CCCN(S(=O)(=O)c3cc(C#N)ccc3C)C2)n1 ZINC001463632680 1068476349 /nfs/dbraw/zinc/47/63/49/1068476349.db2.gz LSMVQUXWCDDPEX-GOSISDBHSA-N 0 0 453.589 4.567 20 30 JJEDRN N#Cc1ccc(OC2CCN(S(=O)(=O)c3cccc(Sc4ccccc4)c3)CC2)cc1 ZINC001463647273 1068480240 /nfs/dbraw/zinc/48/02/40/1068480240.db2.gz CUPSKDXHCJLFPV-UHFFFAOYSA-N 0 0 450.585 4.942 20 30 JJEDRN COc1ccccc1-c1csc(C2CCN(S(=O)(=O)c3ccc(C#N)cc3C)CC2)n1 ZINC001463653134 1068482482 /nfs/dbraw/zinc/48/24/82/1068482482.db2.gz WNMOWNQAMQOISN-UHFFFAOYSA-N 0 0 453.589 4.567 20 30 JJEDRN C=CCOc1ccc(CNS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)cc1 ZINC001463673875 1068489779 /nfs/dbraw/zinc/48/97/79/1068489779.db2.gz AMWBKVNDCLMEQP-UHFFFAOYSA-N 0 0 451.169 4.799 20 30 JJEDRN O=S(=O)(c1cnc(Cl)cc1C(F)(F)F)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001463714855 1068503257 /nfs/dbraw/zinc/50/32/57/1068503257.db2.gz DVDZYKIGTSDESY-LDWIPMOCSA-N 0 0 464.737 4.648 20 30 JJEDRN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC001463759833 1068515345 /nfs/dbraw/zinc/51/53/45/1068515345.db2.gz AKQPZXORCRECTQ-LJQANCHMSA-N 0 0 455.805 4.910 20 30 JJEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccc(Br)cc3c2)CC1 ZINC001463793906 1068526331 /nfs/dbraw/zinc/52/63/31/1068526331.db2.gz IAYLLIIFDFNWJA-QFIPXVFZSA-N 0 0 452.327 4.764 20 30 JJEDRN CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001463798482 1068528411 /nfs/dbraw/zinc/52/84/11/1068528411.db2.gz WINGEAMFJVBIER-OAQYLSRUSA-N 0 0 458.375 4.566 20 30 JJEDRN N#Cc1ccccc1C(F)(F)C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001463799567 1068528471 /nfs/dbraw/zinc/52/84/71/1068528471.db2.gz HCSUUPARTOBUMF-UHFFFAOYSA-N 0 0 455.505 4.862 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001463860271 1068549791 /nfs/dbraw/zinc/54/97/91/1068549791.db2.gz PKKIBEFHKJTTNR-YADHBBJMSA-N 0 0 452.599 4.675 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)c2)c1 ZINC001463897863 1068558759 /nfs/dbraw/zinc/55/87/59/1068558759.db2.gz FLGJCLCBMCSZOQ-UHFFFAOYSA-N 0 0 452.825 4.826 20 30 JJEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2c(C)onc2-c2cccc(Br)c2)cc1 ZINC001463923437 1068566657 /nfs/dbraw/zinc/56/66/57/1068566657.db2.gz QNJKLGVFOMXLGV-UHFFFAOYSA-N 0 0 455.312 4.972 20 30 JJEDRN N#Cc1cc(Br)c(OS(=O)(=O)c2cccc(Cl)c2)c(Br)c1 ZINC001463964900 1068576741 /nfs/dbraw/zinc/57/67/41/1068576741.db2.gz OWCMMJDYEDNQIO-UHFFFAOYSA-N 0 0 451.523 4.504 20 30 JJEDRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC001464013906 1068588842 /nfs/dbraw/zinc/58/88/42/1068588842.db2.gz CFZQDOYHRRGJEX-SFHVURJKSA-N 0 0 455.381 4.725 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC001464016019 1068589216 /nfs/dbraw/zinc/58/92/16/1068589216.db2.gz ABKZUTOSYDPIOV-KRWDZBQOSA-N 0 0 450.944 4.636 20 30 JJEDRN N#C[C@@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Br)cc1 ZINC001464017145 1068589819 /nfs/dbraw/zinc/58/98/19/1068589819.db2.gz NISNYLYPSGAVRZ-CRAIPNDOSA-N 0 0 455.381 4.656 20 30 JJEDRN CCC1(Cn2c(CC(C)(C)C)nnc2N(CCOC)Cc2ccc(C#N)cc2)CCOCC1 ZINC001546144294 1068610890 /nfs/dbraw/zinc/61/08/90/1068610890.db2.gz ICCGSERHTBYWEB-UHFFFAOYSA-N 0 0 453.631 4.598 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001464116548 1068620581 /nfs/dbraw/zinc/62/05/81/1068620581.db2.gz OURZMGZAHVGVEL-UHFFFAOYSA-N 0 0 457.477 4.698 20 30 JJEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1C ZINC001464126990 1068624962 /nfs/dbraw/zinc/62/49/62/1068624962.db2.gz AXLNOHFYUFUREL-CRAIPNDOSA-N 0 0 453.571 4.591 20 30 JJEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(I)c2N)cc1 ZINC001464138675 1068630708 /nfs/dbraw/zinc/63/07/08/1068630708.db2.gz UGDYUBCJEDILDZ-SFHVURJKSA-N 0 0 453.283 4.781 20 30 JJEDRN COc1cc(N)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1Br ZINC001464188071 1068648362 /nfs/dbraw/zinc/64/83/62/1068648362.db2.gz HMZYBMAUNRMOCL-UHFFFAOYSA-N 0 0 452.308 4.743 20 30 JJEDRN COC(=O)C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC001464280612 1068688553 /nfs/dbraw/zinc/68/85/53/1068688553.db2.gz NIFRBNSDXFXGOP-OAHLLOKOSA-N 0 0 453.310 4.777 20 30 JJEDRN C#CCN(CC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)C(=O)OC(C)(C)C ZINC001464301991 1068697755 /nfs/dbraw/zinc/69/77/55/1068697755.db2.gz NCQNYMRIEZPPET-UHFFFAOYSA-N 0 0 454.379 4.850 20 30 JJEDRN N#CCc1ccc(OCc2ccccc2NC(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)cc1 ZINC001464353186 1068716819 /nfs/dbraw/zinc/71/68/19/1068716819.db2.gz ZHKDPRJSYFYWID-UHFFFAOYSA-N 0 0 451.408 4.874 20 30 JJEDRN C=CCN(Cc1ccccc1F)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001464390216 1068728460 /nfs/dbraw/zinc/72/84/60/1068728460.db2.gz CPNZGJCVBGACKE-UHFFFAOYSA-N 0 0 451.567 4.543 20 30 JJEDRN CC1(C)[C@H](c2ccccc2Cl)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC001464391294 1068728892 /nfs/dbraw/zinc/72/88/92/1068728892.db2.gz NYKHLOWSFQFFRR-HNNXBMFYSA-N 0 0 453.789 4.931 20 30 JJEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC001464408782 1068736281 /nfs/dbraw/zinc/73/62/81/1068736281.db2.gz BKHNEHDTNZNERW-UHFFFAOYSA-N 0 0 450.882 4.804 20 30 JJEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC001464425401 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VDWQKDINBPWCHO-RUZDIDTESA-N 0 0 456.546 4.633 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCc4cc(C(C)(C)C)ccc4C3)C2)C1 ZINC001464619829 1068801226 /nfs/dbraw/zinc/80/12/26/1068801226.db2.gz OLJJJHLWVGEJRD-QHMKHHNBSA-N 0 0 451.611 4.656 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)nnc1-c1ccco1 ZINC001464618412 1068801505 /nfs/dbraw/zinc/80/15/05/1068801505.db2.gz JKZXBQPEKXJPDL-UHFFFAOYSA-N 0 0 454.571 4.827 20 30 JJEDRN N#Cc1cccc2ncc(OS(=O)(=O)c3ccc(Br)c(C(F)(F)F)c3)cc12 ZINC001464642647 1068809342 /nfs/dbraw/zinc/80/93/42/1068809342.db2.gz SXIDXJHAXHLHRK-UHFFFAOYSA-N 0 0 457.227 4.655 20 30 JJEDRN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC001464679802 1068822464 /nfs/dbraw/zinc/82/24/64/1068822464.db2.gz NMGDXXVZXKLRNV-ZDUSSCGKSA-N 0 0 456.402 4.745 20 30 JJEDRN CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC001464681639 1068823253 /nfs/dbraw/zinc/82/32/53/1068823253.db2.gz DTEDQKVDXZXSNA-LJQANCHMSA-N 0 0 452.393 4.597 20 30 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N#CCc1ccc(OCc2ccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)nc2)cc1 ZINC001164670643 719523427 /nfs/dbraw/zinc/52/34/27/719523427.db2.gz DRHCTJALNOCUPI-UHFFFAOYSA-N 0 0 486.591 4.737 20 30 JJEDRN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164678943 719529731 /nfs/dbraw/zinc/52/97/31/719529731.db2.gz OUOCLGWCQKPORE-UHFFFAOYSA-N 0 0 493.970 4.804 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccnc3)cnc2Cl)c1 ZINC001164691585 719777297 /nfs/dbraw/zinc/77/72/97/719777297.db2.gz OUMDSQOESIARSN-FCHUYYIVSA-N 0 0 479.918 4.593 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC(=O)N4Cc3cccnc3)cnc2Cl)cc1 ZINC001164691149 719777770 /nfs/dbraw/zinc/77/77/70/719777770.db2.gz MOKZTCPZTZJMMD-VXKWHMMOSA-N 0 0 479.918 4.593 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)[C@H]2CC ZINC001164700713 719821428 /nfs/dbraw/zinc/82/14/28/719821428.db2.gz LRXOWCIFQMFFHT-HOFKKMOUSA-N 0 0 480.056 4.614 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)[C@@H]2CC ZINC001164700714 719821440 /nfs/dbraw/zinc/82/14/40/719821440.db2.gz LRXOWCIFQMFFHT-KCWPFWIISA-N 0 0 480.056 4.614 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)[C@@H]2CC ZINC001164704477 719821910 /nfs/dbraw/zinc/82/19/10/719821910.db2.gz YDQGQPUVQPLBRE-ATIYNZHBSA-N 0 0 466.029 4.572 20 30 JJEDRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC1)nc2-c1cccnc1 ZINC001164704910 719881146 /nfs/dbraw/zinc/88/11/46/719881146.db2.gz XFRZYYHIJSLRRX-UHFFFAOYSA-N 0 0 479.922 4.879 20 30 JJEDRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3cc(Cl)ncc3C#N)CC1)nc2-c1cccnc1 ZINC001164698227 719881571 /nfs/dbraw/zinc/88/15/71/719881571.db2.gz DRNSQQXKLJVNNE-UHFFFAOYSA-N 0 0 479.922 4.879 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164734985 720536794 /nfs/dbraw/zinc/53/67/94/720536794.db2.gz MATISAFLRUZIQM-VLIAUNLRSA-N 0 0 469.319 4.654 20 30 JJEDRN N#Cc1cc(C(F)(F)N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)cnc1Cl ZINC001164844387 720744858 /nfs/dbraw/zinc/74/48/58/720744858.db2.gz RBYPLUKTFAGNJF-UHFFFAOYSA-N 0 0 482.918 4.939 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCC(=O)N4c3ccccc3)c(Cl)nn2)c1 ZINC001164847194 720769485 /nfs/dbraw/zinc/76/94/85/720769485.db2.gz LUHUOOGBARGNKQ-FCHUYYIVSA-N 0 0 479.918 4.988 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@H]43)cnc2Cl)c1 ZINC001164762380 721011631 /nfs/dbraw/zinc/01/16/31/721011631.db2.gz VHTRTZVTPIFZLF-ZLNRFVROSA-N 0 0 482.918 4.634 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@@H]43)cnc2Cl)cc1 ZINC001164759318 721011947 /nfs/dbraw/zinc/01/19/47/721011947.db2.gz LFMWXFAAFMQOPU-VJBWXMMDSA-N 0 0 482.918 4.634 20 30 JJEDRN CCn1nnc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)[C@@H]2COCc1ccccc1 ZINC001164758801 721047290 /nfs/dbraw/zinc/04/72/90/721047290.db2.gz BOHHJOFHBXSPTO-GOSISDBHSA-N 0 0 493.345 4.737 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)cnc2Cl)cc1 ZINC001164881506 721367657 /nfs/dbraw/zinc/36/76/57/721367657.db2.gz DAHDBHIBEFGGDY-VXKWHMMOSA-N 0 0 498.892 4.578 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)cnc2Cl)c1 ZINC001164882656 721367856 /nfs/dbraw/zinc/36/78/56/721367856.db2.gz KLBXDWFPGMJFAJ-FCHUYYIVSA-N 0 0 498.892 4.578 20 30 JJEDRN CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2 ZINC001164892200 721377830 /nfs/dbraw/zinc/37/78/30/721377830.db2.gz SEAOBOZDLIPGHR-JOCHJYFZSA-N 0 0 494.995 4.603 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164780403 721382745 /nfs/dbraw/zinc/38/27/45/721382745.db2.gz GWAZQGPEKUZMJE-KKSFZXQISA-N 0 0 483.346 4.792 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164782565 721439600 /nfs/dbraw/zinc/43/96/00/721439600.db2.gz KESJYQNYZWRRSO-ROUUACIJSA-N 0 0 471.964 4.843 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2ccc(Cl)nc2C#N)CCO3)cs1 ZINC001164780449 721443514 /nfs/dbraw/zinc/44/35/14/721443514.db2.gz AMZZWZXVHFPEQE-FOIQADDNSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cc(C#N)cc(Cl)n2)CCO3)cs1 ZINC001164780934 721443987 /nfs/dbraw/zinc/44/39/87/721443987.db2.gz CZJBHXQHWOJVHR-OXJNMPFZSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2nc(Cl)ccc2C#N)CCO3)cs1 ZINC001164784721 721443992 /nfs/dbraw/zinc/44/39/92/721443992.db2.gz QIVWQLBAEJIWSR-OXQOHEQNSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cc(C#N)cc(Cl)n2)CCO3)cs1 ZINC001164780936 721444067 /nfs/dbraw/zinc/44/40/67/721444067.db2.gz CZJBHXQHWOJVHR-OXQOHEQNSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)cc2C#N)CCO3)cs1 ZINC001164787543 721444584 /nfs/dbraw/zinc/44/45/84/721444584.db2.gz XPXORVVNJFFYLF-OXJNMPFZSA-N 0 0 468.957 4.509 20 30 JJEDRN C=CCOCc1nn(C)c2c1CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164784218 721447007 /nfs/dbraw/zinc/44/70/07/721447007.db2.gz PFGKYJIAMUYCSU-UHFFFAOYSA-N 0 0 492.693 4.555 20 30 JJEDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)CC[C@@H]21 ZINC001164889885 721467990 /nfs/dbraw/zinc/46/79/90/721467990.db2.gz IWBCJBLCLUPCMB-NQIIRXRSSA-N 0 0 458.940 4.902 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)cnc2Cl)cc1 ZINC001164899249 721505776 /nfs/dbraw/zinc/50/57/76/721505776.db2.gz XWXNSTYKRIBSGA-QFIPXVFZSA-N 0 0 493.945 4.856 20 30 JJEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001164797982 721605459 /nfs/dbraw/zinc/60/54/59/721605459.db2.gz DQIXIGCYQHDISR-FQEVSTJZSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)cc(Cl)n1 ZINC001164797301 721605493 /nfs/dbraw/zinc/60/54/93/721605493.db2.gz BFJPUKDSLIIJMC-HXUWFJFHSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164911198 721741541 /nfs/dbraw/zinc/74/15/41/721741541.db2.gz IOTVMIMTKXHGOU-XUZZJYLKSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)c(Cl)nn2)c1 ZINC001165016928 721773708 /nfs/dbraw/zinc/77/37/08/721773708.db2.gz QFFDJRBNRZIMGW-YLJYHZDGSA-N 0 0 483.906 4.548 20 30 JJEDRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)CC1 ZINC001164919960 721822300 /nfs/dbraw/zinc/82/23/00/721822300.db2.gz ZOEOPRZRMKOSFP-UHFFFAOYSA-N 0 0 482.966 4.765 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)C(=O)Nc3c4cccc3F)c(Cl)nn2)c1 ZINC001165021678 721833440 /nfs/dbraw/zinc/83/34/40/721833440.db2.gz IDULLOFSFVXPGT-UHFFFAOYSA-N 0 0 483.881 4.843 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(Cn5cccn5)c4C3)cnc2Cl)c1 ZINC001164937936 721915866 /nfs/dbraw/zinc/91/58/66/721915866.db2.gz HUJYWXZUQRUZOF-UHFFFAOYSA-N 0 0 479.922 4.670 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)C[C@@H]21 ZINC001164944955 721963206 /nfs/dbraw/zinc/96/32/06/721963206.db2.gz KTJVMOVGHPYWSG-NSOVKSMOSA-N 0 0 491.595 4.982 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)C[C@@H]21 ZINC001164944957 721963229 /nfs/dbraw/zinc/96/32/29/721963229.db2.gz KTJVMOVGHPYWSG-WUFINQPMSA-N 0 0 491.595 4.982 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@H]4C(=O)NCc4cccnc4)C3)cnc2Cl)c1 ZINC001164961549 722035609 /nfs/dbraw/zinc/03/56/09/722035609.db2.gz WIBDZRHOKJMKFU-WIOPSUGQSA-N 0 0 493.945 4.746 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)cnc2Cl)c1 ZINC001164961546 722035763 /nfs/dbraw/zinc/03/57/63/722035763.db2.gz WIBDZRHOKJMKFU-RDGATRHJSA-N 0 0 493.945 4.746 20 30 JJEDRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)CC2=O)s1 ZINC001164959112 722043499 /nfs/dbraw/zinc/04/34/99/722043499.db2.gz HCTHFVUNZHTSAH-GOSISDBHSA-N 0 0 457.333 4.808 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4[C@@H](CCN4C(=O)c4ccco4)C3)cnc2Cl)c1 ZINC001164958657 722049539 /nfs/dbraw/zinc/04/95/39/722049539.db2.gz PBMSNOYWBDTHJZ-PXNSSMCTSA-N 0 0 468.891 4.762 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4[C@H]3CCN4C(=O)c3cscn3)cc2c1Cl ZINC001164966659 722066274 /nfs/dbraw/zinc/06/62/74/722066274.db2.gz WMLCRVIKYDCRPK-DLBZAZTESA-N 0 0 494.354 4.908 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4C(=O)c3cscn3)cc2c1Cl ZINC001164966662 722066319 /nfs/dbraw/zinc/06/63/19/722066319.db2.gz WMLCRVIKYDCRPK-IAGOWNOFSA-N 0 0 494.354 4.908 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001164971054 722160680 /nfs/dbraw/zinc/16/06/80/722160680.db2.gz AAIAMSRLDXPGNP-UHFFFAOYSA-N 0 0 456.924 4.836 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164978519 722165261 /nfs/dbraw/zinc/16/52/61/722165261.db2.gz ICIRARLKKMSKJX-WZONZLPQSA-N 0 0 497.970 4.663 20 30 JJEDRN C=CCOC[C@H]1CCC[C@@]12CN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)CCO2 ZINC001164976132 722168973 /nfs/dbraw/zinc/16/89/73/722168973.db2.gz JTWBBWYLRLKKHP-QFQXNSOFSA-N 0 0 470.683 4.872 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@]12CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)CCO2 ZINC001164980409 722169158 /nfs/dbraw/zinc/16/91/58/722169158.db2.gz XWMLIWNGXDCSRS-DCFHFQCYSA-N 0 0 482.694 4.744 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)CCO2 ZINC001164973705 722169972 /nfs/dbraw/zinc/16/99/72/722169972.db2.gz CANPSXHIZTYQPG-VGSWGCGISA-N 0 0 494.926 4.828 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)CCO2 ZINC001164981007 722169995 /nfs/dbraw/zinc/16/99/95/722169995.db2.gz ZVSPGUIALFLAAW-HTAPYJJXSA-N 0 0 494.926 4.828 20 30 JJEDRN Cc1nc(CN2CCO[C@H]3CCN(c4c(C#N)c(Cl)nc5cccc(C)c54)CC[C@H]32)cs1 ZINC001164991486 722186832 /nfs/dbraw/zinc/18/68/32/722186832.db2.gz PFZMWLRBDYPHFU-RTWAWAEBSA-N 0 0 468.026 4.703 20 30 JJEDRN COc1cc(C(F)(F)N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c(C#N)c(Cl)n1 ZINC001164993809 722203679 /nfs/dbraw/zinc/20/36/79/722203679.db2.gz BTVOXOSGLLHLMN-OAQYLSRUSA-N 0 0 450.892 4.544 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(C=C(C(=O)NCC3CC3)c3ccccc32)CC1 ZINC001164999316 722220532 /nfs/dbraw/zinc/22/05/32/722220532.db2.gz QOCFORPZBQVRDK-UHFFFAOYSA-N 0 0 468.935 4.613 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(C=C(C(=O)NCC3CC3)c3ccccc32)CC1 ZINC001165000345 722220920 /nfs/dbraw/zinc/22/09/20/722220920.db2.gz WOEWWDNMAXVKRC-UHFFFAOYSA-N 0 0 468.935 4.613 20 30 JJEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001164998262 722221270 /nfs/dbraw/zinc/22/12/70/722221270.db2.gz HTVXNABEXXLVJV-OAQYLSRUSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)c1 ZINC001164997379 722221344 /nfs/dbraw/zinc/22/13/44/722221344.db2.gz CRGSFWKKDPQSHC-OAQYLSRUSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001164998325 722221731 /nfs/dbraw/zinc/22/17/31/722221731.db2.gz IJEXHXPBFOFZHT-OAQYLSRUSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)C2)c1 ZINC001165005049 722259172 /nfs/dbraw/zinc/25/91/72/722259172.db2.gz UIWZWVOYSVAFPM-HSZRJFAPSA-N 0 0 473.955 4.547 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)C2)c1 ZINC001165004652 722259185 /nfs/dbraw/zinc/25/91/85/722259185.db2.gz RBNSZBJAMRNQKR-DEOSSOPVSA-N 0 0 483.950 4.823 20 30 JJEDRN CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1cscc1C(F)(F)F ZINC001359716057 1064264822 /nfs/dbraw/zinc/26/48/22/1064264822.db2.gz UOWZDZYVVGGXOF-UHFFFAOYSA-N 0 0 478.519 4.867 20 30 JJEDRN CC(C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359718761 1064266138 /nfs/dbraw/zinc/26/61/38/1064266138.db2.gz QNTYSTMGQFUAPJ-KGLIPLIRSA-N 0 0 459.454 4.718 20 30 JJEDRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C1 ZINC001359729038 1064277986 /nfs/dbraw/zinc/27/79/86/1064277986.db2.gz QYLDNWJERDKPBA-IBGZPJMESA-N 0 0 465.399 4.895 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1CCCCC1 ZINC001545881599 1064297102 /nfs/dbraw/zinc/29/71/02/1064297102.db2.gz ANRZFONQZKMCBG-UHFFFAOYSA-N 0 0 478.641 4.696 20 30 JJEDRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)[C@@H](O)c1ccccc1C(F)(F)F ZINC001545884067 1064300376 /nfs/dbraw/zinc/30/03/76/1064300376.db2.gz IQTCMVOHIIRILB-ZDUSSCGKSA-N 0 0 453.289 4.908 20 30 JJEDRN CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001359738438 1064302269 /nfs/dbraw/zinc/30/22/69/1064302269.db2.gz UTOAZLGZCMTCOV-GMAHTHKFSA-N 0 0 494.640 4.753 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001359738695 1064302345 /nfs/dbraw/zinc/30/23/45/1064302345.db2.gz BEVIFQFYUQHOKB-FCHUYYIVSA-N 0 0 464.614 4.699 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001359738697 1064302402 /nfs/dbraw/zinc/30/24/02/1064302402.db2.gz BEVIFQFYUQHOKB-VXKWHMMOSA-N 0 0 464.614 4.699 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C1 ZINC001359738759 1064303214 /nfs/dbraw/zinc/30/32/14/1064303214.db2.gz CHSQIEBMDYEJTG-SFHVURJKSA-N 0 0 451.372 4.505 20 30 JJEDRN C=CCOc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)c1 ZINC001434867549 1064304921 /nfs/dbraw/zinc/30/49/21/1064304921.db2.gz BVBVPDMODWAURY-QGZVFWFLSA-N 0 0 457.368 4.813 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCN(CC(F)(F)F)CC2)C1 ZINC001359739854 1064308235 /nfs/dbraw/zinc/30/82/35/1064308235.db2.gz GVJZKPCNPRZNBC-QFIPXVFZSA-N 0 0 474.575 4.963 20 30 JJEDRN C=CC[C@@]1(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001434882051 1064314497 /nfs/dbraw/zinc/31/44/97/1064314497.db2.gz FJNCWHCPKXHYCE-ZHRRBRCNSA-N 0 0 456.505 4.935 20 30 JJEDRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CCCCC2)C1 ZINC001359745329 1064318581 /nfs/dbraw/zinc/31/85/81/1064318581.db2.gz GKZOMONMOXEOEV-RLWLMLJZSA-N 0 0 451.615 4.542 20 30 JJEDRN CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cscc2C(F)(F)F)CCO1 ZINC001359748142 1064332638 /nfs/dbraw/zinc/33/26/38/1064332638.db2.gz PGIXGJPCEGLSHI-LJQANCHMSA-N 0 0 461.513 4.807 20 30 JJEDRN CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)c(=O)oc2c1 ZINC001434912340 1064339042 /nfs/dbraw/zinc/33/90/42/1064339042.db2.gz OKSMIVIJLATKEZ-UHFFFAOYSA-N 0 0 454.486 4.950 20 30 JJEDRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 ZINC001359755453 1064348806 /nfs/dbraw/zinc/34/88/06/1064348806.db2.gz AJRHJQCNDXJPAK-CRAIPNDOSA-N 0 0 464.433 4.570 20 30 JJEDRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001359758507 1064360436 /nfs/dbraw/zinc/36/04/36/1064360436.db2.gz VIGLZKNLASRSJV-RBBKRZOGSA-N 0 0 450.974 4.563 20 30 JJEDRN C#CC[C@]1(C(=O)Nc2ccc(Sc3ncccn3)cc2C)CCCN1C(=O)OC(C)(C)C ZINC001434946501 1064367384 /nfs/dbraw/zinc/36/73/84/1064367384.db2.gz YFHOMULIXLAXGP-XMMPIXPASA-N 0 0 452.580 4.668 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC#N ZINC001359760302 1064367795 /nfs/dbraw/zinc/36/77/95/1064367795.db2.gz RTMWTJPAJOUYRU-KPFFTGBYSA-N 0 0 460.420 4.897 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N ZINC001359760304 1064367907 /nfs/dbraw/zinc/36/79/07/1064367907.db2.gz RTMWTJPAJOUYRU-QRFRQXIXSA-N 0 0 460.420 4.897 20 30 JJEDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001359761027 1064370908 /nfs/dbraw/zinc/37/09/08/1064370908.db2.gz BVCWOVCOWDUGMD-LEWJYISDSA-N 0 0 489.542 4.616 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001359761030 1064371033 /nfs/dbraw/zinc/37/10/33/1064371033.db2.gz BVCWOVCOWDUGMD-SFTDATJTSA-N 0 0 489.542 4.616 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 ZINC001359761151 1064371683 /nfs/dbraw/zinc/37/16/83/1064371683.db2.gz DCWHFHKZESTLFE-APWZRJJASA-N 0 0 478.460 4.960 20 30 JJEDRN COC(=O)[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cc(F)ccc1F ZINC001434960475 1064375910 /nfs/dbraw/zinc/37/59/10/1064375910.db2.gz HYRXBYHHSPQUFT-NRFANRHFSA-N 0 0 456.832 4.926 20 30 JJEDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 ZINC001359764198 1064382537 /nfs/dbraw/zinc/38/25/37/1064382537.db2.gz WXLMRWCFGAISHA-PXDATVDWSA-N 0 0 479.650 4.920 20 30 JJEDRN C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)ccc1F ZINC001434971470 1064386419 /nfs/dbraw/zinc/38/64/19/1064386419.db2.gz REFBBXMHLNSMKH-QGZVFWFLSA-N 0 0 454.523 4.573 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001434995624 1064410009 /nfs/dbraw/zinc/41/00/09/1064410009.db2.gz JSXLNCNPHFFKMG-NRFANRHFSA-N 0 0 455.368 4.750 20 30 JJEDRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001435001750 1064416507 /nfs/dbraw/zinc/41/65/07/1064416507.db2.gz CSGIMQWRKXFBDZ-HNNXBMFYSA-N 0 0 455.345 4.529 20 30 JJEDRN C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)c1 ZINC001435004594 1064419794 /nfs/dbraw/zinc/41/97/94/1064419794.db2.gz IPUSTVRITALTDC-UHFFFAOYSA-N 0 0 451.519 4.963 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001435004951 1064419825 /nfs/dbraw/zinc/41/98/25/1064419825.db2.gz MOTWGHWUOMGCSY-SFHVURJKSA-N 0 0 458.559 4.510 20 30 JJEDRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC001435008750 1064424497 /nfs/dbraw/zinc/42/44/97/1064424497.db2.gz MRKOMLHBEQZKAW-DEOSSOPVSA-N 0 0 459.521 4.742 20 30 JJEDRN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC001435016348 1064433534 /nfs/dbraw/zinc/43/35/34/1064433534.db2.gz QCBXDUNBWNOBPZ-UHFFFAOYSA-N 0 0 455.848 4.993 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001435017855 1064434946 /nfs/dbraw/zinc/43/49/46/1064434946.db2.gz SUITVQKUZMYFRN-UHFFFAOYSA-N 0 0 456.477 4.706 20 30 JJEDRN N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)cc2)c1 ZINC001435023017 1064440390 /nfs/dbraw/zinc/44/03/90/1064440390.db2.gz CMBRNNZHBWWMKC-UHFFFAOYSA-N 0 0 457.421 4.623 20 30 JJEDRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 ZINC001435024798 1064442148 /nfs/dbraw/zinc/44/21/48/1064442148.db2.gz MXDHSQDOETXYGL-UHFFFAOYSA-N 0 0 454.935 4.837 20 30 JJEDRN C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(OCc4ccc(F)cc4)cc3)cc2C1=O ZINC001435040333 1064457145 /nfs/dbraw/zinc/45/71/45/1064457145.db2.gz MTKQIDGUYUTKKE-QGZVFWFLSA-N 0 0 458.489 4.678 20 30 JJEDRN CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1Cc1ccc(C#N)o1 ZINC001359801122 1064468604 /nfs/dbraw/zinc/46/86/04/1064468604.db2.gz QFCTXYYGTFQKJU-HSZRJFAPSA-N 0 0 453.974 4.593 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)cc1OC ZINC001435063427 1064482526 /nfs/dbraw/zinc/48/25/26/1064482526.db2.gz BFMONDTYBWMBGB-CJWPWQIFSA-N 0 0 458.599 4.863 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC001435070843 1064492843 /nfs/dbraw/zinc/49/28/43/1064492843.db2.gz LJKNPSIWEADHHY-FQEVSTJZSA-N 0 0 450.539 4.599 20 30 JJEDRN C#CCOc1cccc(OC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 ZINC001435080077 1064502133 /nfs/dbraw/zinc/50/21/33/1064502133.db2.gz GVUQYVCTXKWUNM-UHFFFAOYSA-N 0 0 450.288 4.933 20 30 JJEDRN CC(C)Sc1ccc(Cl)cc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC001435096122 1064511494 /nfs/dbraw/zinc/51/14/94/1064511494.db2.gz CPTLOWIHYDKCGG-KRWDZBQOSA-N 0 0 456.955 4.556 20 30 JJEDRN CC(C)Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCCN(C)CC(F)(F)F ZINC001359831133 1064514262 /nfs/dbraw/zinc/51/42/62/1064514262.db2.gz XTVWOZGDIHFHGL-QFIPXVFZSA-N 0 0 476.591 4.692 20 30 JJEDRN COc1ccccc1[C@H](NC(=O)COc1cccc(Br)c1C#N)c1ccccc1 ZINC001435109669 1064519228 /nfs/dbraw/zinc/51/92/28/1064519228.db2.gz PORXHMZTFRPGJC-HSZRJFAPSA-N 0 0 451.320 4.614 20 30 JJEDRN CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001359841171 1064528020 /nfs/dbraw/zinc/52/80/20/1064528020.db2.gz FCSLUONRMVYLOV-UHFFFAOYSA-N 0 0 489.571 4.589 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)ccc1OC ZINC001435132368 1064536606 /nfs/dbraw/zinc/53/66/06/1064536606.db2.gz AZWQKAKMTGVJEZ-QHCPKHFHSA-N 0 0 455.514 4.757 20 30 JJEDRN COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001435132395 1064536710 /nfs/dbraw/zinc/53/67/10/1064536710.db2.gz IZTDFUFEINZFBI-UHFFFAOYSA-N 0 0 452.457 4.796 20 30 JJEDRN CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCc1ccc(Br)s1 ZINC001359851532 1064538444 /nfs/dbraw/zinc/53/84/44/1064538444.db2.gz AUZYLPZUXMGFPM-UHFFFAOYSA-N 0 0 499.482 4.742 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC001359863385 1064553480 /nfs/dbraw/zinc/55/34/80/1064553480.db2.gz KLBLDHGBMULENB-UHFFFAOYSA-N 0 0 458.583 4.690 20 30 JJEDRN N#C[C@@H]1COCCN1C(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc21 ZINC001435169064 1064563593 /nfs/dbraw/zinc/56/35/93/1064563593.db2.gz SVMOCQSQNJNQRA-DWTRPJMMSA-N 0 0 454.349 4.594 20 30 JJEDRN C=CCOc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)cc1 ZINC001359872893 1064563896 /nfs/dbraw/zinc/56/38/96/1064563896.db2.gz OKXOWEBASADMKJ-UHFFFAOYSA-N 0 0 456.542 4.573 20 30 JJEDRN C=CCOc1ccccc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC001435177242 1064570486 /nfs/dbraw/zinc/57/04/86/1064570486.db2.gz XQTOXTVWHWUOBW-XMHGGMMESA-N 0 0 458.630 4.611 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(C#N)cc1F)c1ccc(C(F)(F)F)cc1 ZINC001359903251 1064617413 /nfs/dbraw/zinc/61/74/13/1064617413.db2.gz RFIAWPAIXAFCJV-SFHVURJKSA-N 0 0 451.420 4.598 20 30 JJEDRN COc1ccccc1N1C[C@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)CC1=O ZINC001359906626 1064621617 /nfs/dbraw/zinc/62/16/17/1064621617.db2.gz XKKGGYLAZZFIEL-HXUWFJFHSA-N 0 0 459.933 4.807 20 30 JJEDRN CCN(C(=O)c1cc(I)ccc1Br)c1ccc(C#N)cc1 ZINC001435249519 1064624544 /nfs/dbraw/zinc/62/45/44/1064624544.db2.gz YTRILIWDJBMKRZ-UHFFFAOYSA-N 0 0 455.093 4.592 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001435247623 1064625130 /nfs/dbraw/zinc/62/51/30/1064625130.db2.gz OAZNRAFIZCNUFO-AZUAARDMSA-N 0 0 457.368 4.626 20 30 JJEDRN CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359921395 1064646988 /nfs/dbraw/zinc/64/69/88/1064646988.db2.gz HEXOZIYVJHFSLS-UHFFFAOYSA-N 0 0 462.598 4.832 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001359926881 1064661090 /nfs/dbraw/zinc/66/10/90/1064661090.db2.gz FXBYBBIOYMYHOX-UHFFFAOYSA-N 0 0 494.665 4.617 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCCC1 ZINC001359926890 1064661100 /nfs/dbraw/zinc/66/11/00/1064661100.db2.gz GDBNTEFNIULHNG-UHFFFAOYSA-N 0 0 487.446 4.519 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H]1CCCCO1 ZINC001359926989 1064661966 /nfs/dbraw/zinc/66/19/66/1064661966.db2.gz KFWMEVHVKXIBQV-NRFANRHFSA-N 0 0 491.640 4.571 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCCCCC1 ZINC001359927161 1064662496 /nfs/dbraw/zinc/66/24/96/1064662496.db2.gz PEFHMVKYFYLCFK-UHFFFAOYSA-N 0 0 467.614 4.568 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001359927132 1064662600 /nfs/dbraw/zinc/66/26/00/1064662600.db2.gz OLPMMDJWBXOJOO-UHFFFAOYSA-N 0 0 488.036 4.627 20 30 JJEDRN Cc1c(C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)cnn1CCC#N ZINC001435284766 1064662630 /nfs/dbraw/zinc/66/26/30/1064662630.db2.gz WBHYHUVAXYGTMR-HSZRJFAPSA-N 0 0 451.368 4.756 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)NCC(F)(F)F ZINC001359927320 1064662971 /nfs/dbraw/zinc/66/29/71/1064662971.db2.gz UXSMZHVYGFYSNO-INIZCTEOSA-N 0 0 496.603 4.576 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359927331 1064663096 /nfs/dbraw/zinc/66/30/96/1064663096.db2.gz VGCOTRCNADSPPR-UHFFFAOYSA-N 0 0 457.504 4.763 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(Cl)nc1 ZINC001359929452 1064666372 /nfs/dbraw/zinc/66/63/72/1064666372.db2.gz GLRRPLDVYKCGFI-OAQYLSRUSA-N 0 0 466.973 4.653 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359929277 1064666573 /nfs/dbraw/zinc/66/65/73/1064666573.db2.gz BIQYEJCLFUSKPW-LJQANCHMSA-N 0 0 465.520 4.885 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@](C)(O)C(C)C ZINC001359929764 1064666948 /nfs/dbraw/zinc/66/69/48/1064666948.db2.gz NLVYAVKNLKICDR-AREMUKBSSA-N 0 0 490.693 4.566 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359929808 1064666964 /nfs/dbraw/zinc/66/69/64/1064666964.db2.gz OQWRXUPUSNYNGB-QPPBQGQZSA-N 0 0 452.647 4.871 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359929810 1064667012 /nfs/dbraw/zinc/66/70/12/1064667012.db2.gz OQWRXUPUSNYNGB-XUZZJYLKSA-N 0 0 452.647 4.871 20 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CC(C)CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCC(=O)N2CCCCC2)cc1 ZINC001359952136 1064713377 /nfs/dbraw/zinc/71/33/77/1064713377.db2.gz NSYNRWWMYVSJDA-UHFFFAOYSA-N 0 0 492.668 4.903 20 30 JJEDRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCOCC2(C)C)cc1 ZINC001359952389 1064715188 /nfs/dbraw/zinc/71/51/88/1064715188.db2.gz UVFZGMDAJFBBKX-NDEPHWFRSA-N 0 0 494.684 4.611 20 30 JJEDRN CC(C)CCOCCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001359961506 1064733801 /nfs/dbraw/zinc/73/38/01/1064733801.db2.gz XRTBELYGJLLUST-UHFFFAOYSA-N 0 0 494.043 4.645 20 30 JJEDRN CC(C)CCOCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001359962263 1064735862 /nfs/dbraw/zinc/73/58/62/1064735862.db2.gz SKKCTLSCRPNYHQ-UHFFFAOYSA-N 0 0 470.637 4.657 20 30 JJEDRN CC(C)CCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001359970065 1064745912 /nfs/dbraw/zinc/74/59/12/1064745912.db2.gz FLDCCVCZPPRUSF-BJKOFHAPSA-N 0 0 451.615 4.523 20 30 JJEDRN N#Cc1cc(F)ccc1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC001435416903 1064747045 /nfs/dbraw/zinc/74/70/45/1064747045.db2.gz URRIBYRVYUHEKD-UHFFFAOYSA-N 0 0 459.506 4.588 20 30 JJEDRN Cc1cc(I)cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1C ZINC001435445817 1064761396 /nfs/dbraw/zinc/76/13/96/1064761396.db2.gz CRSFQBVPOGMEIG-UHFFFAOYSA-N 0 0 457.233 4.708 20 30 JJEDRN CCn1c(SCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)nnc1-c1cccc(C)c1 ZINC001435447642 1064762865 /nfs/dbraw/zinc/76/28/65/1064762865.db2.gz WRCXFGONQJUMKB-UHFFFAOYSA-N 0 0 458.509 4.552 20 30 JJEDRN CNC(=O)c1cc(Oc2cccc(OC(=O)CCCCOc3cccc(C#N)c3)c2C)ccn1 ZINC001435449575 1064764265 /nfs/dbraw/zinc/76/42/65/1064764265.db2.gz NTPHTXWEYVNZQX-UHFFFAOYSA-N 0 0 459.502 4.568 20 30 JJEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)[C@H](C#N)C1 ZINC001435454201 1064765997 /nfs/dbraw/zinc/76/59/97/1064765997.db2.gz FYHSMUKXFWSLJB-HXUWFJFHSA-N 0 0 455.942 4.504 20 30 JJEDRN CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Br)cn1)C1CCCC1 ZINC001359986727 1064767612 /nfs/dbraw/zinc/76/76/12/1064767612.db2.gz XNNTWWSLVQVPEA-UHFFFAOYSA-N 0 0 482.430 4.881 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC(F)(F)C2)c1 ZINC001435467911 1064775519 /nfs/dbraw/zinc/77/55/19/1064775519.db2.gz MVPQAOHWAUYVBL-OAHLLOKOSA-N 0 0 454.926 4.639 20 30 JJEDRN CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C#N)o1)C1CCCC1 ZINC001359993312 1064776898 /nfs/dbraw/zinc/77/68/98/1064776898.db2.gz QOHCOEXAECSUHL-KDURUIRLSA-N 0 0 482.629 4.967 20 30 JJEDRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC001435474796 1064778995 /nfs/dbraw/zinc/77/89/95/1064778995.db2.gz WEPBNGNRMIXHEU-OAHLLOKOSA-N 0 0 455.331 4.726 20 30 JJEDRN COc1cc(C#N)cc(Br)c1OC(=O)CCc1ccc(C)cc1Br ZINC001435483249 1064783877 /nfs/dbraw/zinc/78/38/77/1064783877.db2.gz OJFMCLXJTJEQDZ-UHFFFAOYSA-N 0 0 453.130 4.939 20 30 JJEDRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC001360002955 1064789136 /nfs/dbraw/zinc/78/91/36/1064789136.db2.gz QAIBMQBHUQNPOU-HSZRJFAPSA-N 0 0 459.527 4.513 20 30 JJEDRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(COc3ccccc3C#N)c2)c1 ZINC001360003491 1064789501 /nfs/dbraw/zinc/78/95/01/1064789501.db2.gz UHIAGPOEEXACCW-HSZRJFAPSA-N 0 0 457.555 4.600 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2[C@H](C)CC[C@@H]2C)ccc1Cl ZINC001435510395 1064797064 /nfs/dbraw/zinc/79/70/64/1064797064.db2.gz SWENCJYCXLAQIL-IYBDPMFKSA-N 0 0 450.963 4.873 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2[C@H](C)CC[C@H]2C)ccc1Cl ZINC001435510393 1064797128 /nfs/dbraw/zinc/79/71/28/1064797128.db2.gz SWENCJYCXLAQIL-HZPDHXFCSA-N 0 0 450.963 4.873 20 30 JJEDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1 ZINC001435572115 1064841223 /nfs/dbraw/zinc/84/12/23/1064841223.db2.gz IJOMGCSZHOCHFT-KRWDZBQOSA-N 0 0 450.967 4.994 20 30 JJEDRN CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435581529 1064847951 /nfs/dbraw/zinc/84/79/51/1064847951.db2.gz CPVNJFZOJYBEDG-UHFFFAOYSA-N 0 0 457.367 4.656 20 30 JJEDRN CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)C)CC1 ZINC001360042921 1064859418 /nfs/dbraw/zinc/85/94/18/1064859418.db2.gz AUNUWUVTFZEFQH-UHFFFAOYSA-N 0 0 452.603 4.558 20 30 JJEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1 ZINC001360051460 1064878234 /nfs/dbraw/zinc/87/82/34/1064878234.db2.gz IOBOCZROVIIUHK-QGZVFWFLSA-N 0 0 451.349 4.689 20 30 JJEDRN CC(C)COc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H](C)C#N)c1 ZINC001360052141 1064879896 /nfs/dbraw/zinc/87/98/96/1064879896.db2.gz JSSFSPGXBSAQOQ-UEVCKROQSA-N 0 0 453.631 4.876 20 30 JJEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cn3)cc2C1=O ZINC001435621715 1064883386 /nfs/dbraw/zinc/88/33/86/1064883386.db2.gz PKKJUTOGTMGWRZ-UHFFFAOYSA-N 0 0 451.404 4.802 20 30 JJEDRN C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccccc1 ZINC001435621328 1064883447 /nfs/dbraw/zinc/88/34/47/1064883447.db2.gz MUMODOMAEPSBID-QHCPKHFHSA-N 0 0 456.608 4.697 20 30 JJEDRN N#CCC[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1 ZINC001435623788 1064885033 /nfs/dbraw/zinc/88/50/33/1064885033.db2.gz ZKWRLUCKNMNCAY-SWVCQTRFSA-N 0 0 455.630 4.891 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1C#N ZINC001435626920 1064889168 /nfs/dbraw/zinc/88/91/68/1064889168.db2.gz YTBOIEOUQWCMTJ-QHCPKHFHSA-N 0 0 455.470 4.833 20 30 JJEDRN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001435630598 1064891836 /nfs/dbraw/zinc/89/18/36/1064891836.db2.gz FCLGLJAEZXYVNA-UHFFFAOYSA-N 0 0 452.883 4.865 20 30 JJEDRN C=CCC[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001435636240 1064898164 /nfs/dbraw/zinc/89/81/64/1064898164.db2.gz YWZBBXBAYZQRMN-DENIHFKCSA-N 0 0 459.512 4.844 20 30 JJEDRN C=CCC[C@H](NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001435636241 1064898232 /nfs/dbraw/zinc/89/82/32/1064898232.db2.gz YWZBBXBAYZQRMN-KNQAVFIVSA-N 0 0 459.512 4.844 20 30 JJEDRN C=CC[C@@]1(C(=O)Nc2ccc(Br)cc2C(C)=O)CCCN1C(=O)OC(C)(C)C ZINC001435647307 1064905715 /nfs/dbraw/zinc/90/57/15/1064905715.db2.gz PLOIJQLPBYQXJB-NRFANRHFSA-N 0 0 451.361 4.936 20 30 JJEDRN COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001435649706 1064907462 /nfs/dbraw/zinc/90/74/62/1064907462.db2.gz XXDICNSMGBVGEN-TUAOUCFPSA-N 0 0 451.285 4.643 20 30 JJEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cnnn3-c3c(Cl)cccc3Cl)n2)c(Cl)c1 ZINC001435651290 1064908913 /nfs/dbraw/zinc/90/89/13/1064908913.db2.gz GTYGUEZCKOQVBI-UHFFFAOYSA-N 0 0 458.696 4.537 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC001435652086 1064909622 /nfs/dbraw/zinc/90/96/22/1064909622.db2.gz RVLAYDGMZGTBBF-MRXNPFEDSA-N 0 0 457.962 4.763 20 30 JJEDRN CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360069415 1064914960 /nfs/dbraw/zinc/91/49/60/1064914960.db2.gz JLCKGSGEINQVJG-UHFFFAOYSA-N 0 0 478.544 4.991 20 30 JJEDRN N#Cc1cccc(C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1Br ZINC001435666413 1064919746 /nfs/dbraw/zinc/91/97/46/1064919746.db2.gz CJFGQVJCZKNAKQ-UHFFFAOYSA-N 0 0 452.095 4.565 20 30 JJEDRN COc1ccc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)c(Br)c1 ZINC001435731619 1064962419 /nfs/dbraw/zinc/96/24/19/1064962419.db2.gz NFHLSZSEDYRRPV-AWEZNQCLSA-N 0 0 455.308 4.992 20 30 JJEDRN Cc1c(Br)cc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001435742764 1064967437 /nfs/dbraw/zinc/96/74/37/1064967437.db2.gz NGYACBCMAQSUKO-CQSZACIVSA-N 0 0 458.190 4.559 20 30 JJEDRN CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 ZINC001435744737 1064968970 /nfs/dbraw/zinc/96/89/70/1064968970.db2.gz CEUBEZLSFBGJCJ-UHFFFAOYSA-N 0 0 455.399 4.726 20 30 JJEDRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C#N)c3cccc(Br)c3)n2)cc1 ZINC001435750234 1064974539 /nfs/dbraw/zinc/97/45/39/1064974539.db2.gz QCCCUFIQNUEZAG-LJQANCHMSA-N 0 0 453.340 4.936 20 30 JJEDRN COc1cc([C@@H](C#N)NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)cc(OC)c1OC ZINC001435801589 1064998220 /nfs/dbraw/zinc/99/82/20/1064998220.db2.gz ACOKPSBLTMTEME-LJQANCHMSA-N 0 0 454.429 4.778 20 30 JJEDRN COc1cc([C@H](C#N)NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)cc(OC)c1OC ZINC001435802024 1064998709 /nfs/dbraw/zinc/99/87/09/1064998709.db2.gz GBZNNYAWXJMDQF-IZNAZMGOSA-N 0 0 454.832 4.693 20 30 JJEDRN COc1cc([C@@H](C#N)NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)cc(OC)c1OC ZINC001435802022 1064998851 /nfs/dbraw/zinc/99/88/51/1064998851.db2.gz GBZNNYAWXJMDQF-DDITZMBXSA-N 0 0 454.832 4.693 20 30 JJEDRN N#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(Cl)cccc1Cl ZINC001435802312 1064999474 /nfs/dbraw/zinc/99/94/74/1064999474.db2.gz IQMHFEQVTBLZSH-KBXCAEBGSA-N 0 0 450.753 4.880 20 30 JJEDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1 ZINC001360116964 1065002583 /nfs/dbraw/zinc/00/25/83/1065002583.db2.gz WFWLFLVLWCJYKO-UHFFFAOYSA-N 0 0 462.535 4.767 20 30 JJEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(Br)nc(Br)c2)cc1 ZINC001435808237 1065002597 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HOEFJDWGCAXXNE-JIPXPUAJSA-N 0 0 451.570 4.884 20 30 JJEDRN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001435858632 1065028830 /nfs/dbraw/zinc/02/88/30/1065028830.db2.gz HOEFJDWGCAXXNE-ZBLYBZFDSA-N 0 0 451.570 4.884 20 30 JJEDRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001435857989 1065028871 /nfs/dbraw/zinc/02/88/71/1065028871.db2.gz BVAJTWIGECHVQA-UHFFFAOYSA-N 0 0 455.587 4.980 20 30 JJEDRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001435869962 1065035801 /nfs/dbraw/zinc/03/58/01/1065035801.db2.gz NHPKGPBTHOAMHJ-NRFANRHFSA-N 0 0 458.587 4.575 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001545893893 1065039772 /nfs/dbraw/zinc/03/97/72/1065039772.db2.gz KDTSQKKZOHBDJU-QHCPKHFHSA-N 0 0 494.974 4.630 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccccc1 ZINC001435881798 1065042453 /nfs/dbraw/zinc/04/24/53/1065042453.db2.gz XEHBIAHKJIOJCU-NRFANRHFSA-N 0 0 459.575 4.672 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001435887863 1065045337 /nfs/dbraw/zinc/04/53/37/1065045337.db2.gz DDQOOJBIFSQZMC-OAHLLOKOSA-N 0 0 451.350 4.959 20 30 JJEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@](C)(c3ccc(Br)cc3)C(C)C)CC2)o1 ZINC001435889141 1065046592 /nfs/dbraw/zinc/04/65/92/1065046592.db2.gz BNPJOBMYUZENTO-JOCHJYFZSA-N 0 0 459.388 4.521 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cc2ccc(Br)c(Cl)c2)ccc1OC ZINC001360147939 1065050687 /nfs/dbraw/zinc/05/06/87/1065050687.db2.gz MXDINSPXZLXPQC-OAHLLOKOSA-N 0 0 451.748 4.651 20 30 JJEDRN C=CCN(C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001435899004 1065051694 /nfs/dbraw/zinc/05/16/94/1065051694.db2.gz AVBPEIZQYCUHLX-AREMUKBSSA-N 0 0 457.574 4.617 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1csc2ccccc12 ZINC001545894112 1065059846 /nfs/dbraw/zinc/05/98/46/1065059846.db2.gz OZHQJBRGAVLKTD-XMMPIXPASA-N 0 0 450.612 4.590 20 30 JJEDRN Cc1ccc(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(Br)c1 ZINC001435912433 1065059979 /nfs/dbraw/zinc/05/99/79/1065059979.db2.gz HAPUKICZSVILFT-UHFFFAOYSA-N 0 0 454.368 4.912 20 30 JJEDRN O=C(NCCc1ccc(F)c(F)c1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001435920632 1065064456 /nfs/dbraw/zinc/06/44/56/1065064456.db2.gz JSATYIMERYGURA-UHFFFAOYSA-N 0 0 457.317 4.820 20 30 JJEDRN Cc1oc(C#N)cc1C(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435922407 1065064860 /nfs/dbraw/zinc/06/48/60/1065064860.db2.gz PYTXPKJUYFLBFJ-OFNKIYASSA-N 0 0 451.567 4.838 20 30 JJEDRN N#C[C@@]1(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)CCc2ccccc2C1 ZINC001435937742 1065072567 /nfs/dbraw/zinc/07/25/67/1065072567.db2.gz OGZPJTHOZZWRCX-HSZRJFAPSA-N 0 0 451.320 4.802 20 30 JJEDRN C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(OC)c(Cl)c2)CCC3)nn1 ZINC001435946711 1065076056 /nfs/dbraw/zinc/07/60/56/1065076056.db2.gz FUMLUDMBSWJCQW-UHFFFAOYSA-N 0 0 456.955 4.550 20 30 JJEDRN CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1CCCCC1(F)F ZINC001360194831 1065076729 /nfs/dbraw/zinc/07/67/29/1065076729.db2.gz MYBOHSHWRBPQHQ-GFCCVEGCSA-N 0 0 491.427 4.563 20 30 JJEDRN N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)cc2)nc1 ZINC001435967902 1065085655 /nfs/dbraw/zinc/08/56/55/1065085655.db2.gz XMEISGZOZHGCKC-GOSISDBHSA-N 0 0 452.436 4.773 20 30 JJEDRN N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)cc2)nc1 ZINC001435967903 1065085850 /nfs/dbraw/zinc/08/58/50/1065085850.db2.gz XMEISGZOZHGCKC-SFHVURJKSA-N 0 0 452.436 4.773 20 30 JJEDRN C=CCCC(=O)Nc1ccc(COC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC001435977192 1065089741 /nfs/dbraw/zinc/08/97/41/1065089741.db2.gz QOLBSYMVZPEFDR-UHFFFAOYSA-N 0 0 450.535 4.683 20 30 JJEDRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)ccc1Cl ZINC001435990517 1065096320 /nfs/dbraw/zinc/09/63/20/1065096320.db2.gz IBKVHWXXCLGAAN-UHFFFAOYSA-N 0 0 454.036 4.645 20 30 JJEDRN C=CCc1cc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc(OC)c1OC ZINC001360245541 1065097303 /nfs/dbraw/zinc/09/73/03/1065097303.db2.gz NUZDFNWUAIYQIM-UHFFFAOYSA-N 0 0 457.592 4.932 20 30 JJEDRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC001435997305 1065099548 /nfs/dbraw/zinc/09/95/48/1065099548.db2.gz KUZQKIBVLBTHGM-NLFFAJNJSA-N 0 0 451.523 4.704 20 30 JJEDRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccc(F)cc1OCCC(F)(F)F ZINC001436012204 1065109226 /nfs/dbraw/zinc/10/92/26/1065109226.db2.gz OFYRNXWSSBMSFZ-UHFFFAOYSA-N 0 0 453.358 4.890 20 30 JJEDRN C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001360266769 1065110081 /nfs/dbraw/zinc/11/00/81/1065110081.db2.gz GNVFWLMITKMDEM-IRXDYDNUSA-N 0 0 453.514 4.960 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC)c1ccc(Cl)cc1F ZINC001436045882 1065140737 /nfs/dbraw/zinc/14/07/37/1065140737.db2.gz OKGFXYJMPDCIIN-UHFFFAOYSA-N 0 0 455.711 4.944 20 30 JJEDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001436057029 1065149899 /nfs/dbraw/zinc/14/98/99/1065149899.db2.gz RBKIYQUASNTSMA-DEOSSOPVSA-N 0 0 459.477 4.660 20 30 JJEDRN CC(C)c1c(C(=O)Oc2ccc(C#N)cc2I)cnn1-c1ccccc1 ZINC001436073848 1065162337 /nfs/dbraw/zinc/16/23/37/1065162337.db2.gz PCXSIRUXOIYFGT-UHFFFAOYSA-N 0 0 457.271 4.691 20 30 JJEDRN CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccc(C(C)(F)F)c2)CCOC1 ZINC001360341064 1065191033 /nfs/dbraw/zinc/19/10/33/1065191033.db2.gz JRVQIDILTIPJHE-ILBGXUMGSA-N 0 0 473.568 4.609 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(Cl)cc(F)c2Br)ccc1OC ZINC001360350779 1065197729 /nfs/dbraw/zinc/19/77/29/1065197729.db2.gz AIXANMOYXRYTMB-CYBMUJFWSA-N 0 0 455.711 4.861 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)ccc1OC ZINC001360355347 1065204678 /nfs/dbraw/zinc/20/46/78/1065204678.db2.gz SLEMWECTMXUOHJ-LJQANCHMSA-N 0 0 453.539 4.962 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)ccc1OC ZINC001360355323 1065204740 /nfs/dbraw/zinc/20/47/40/1065204740.db2.gz SBAAWVKGDBHYPX-HXUWFJFHSA-N 0 0 452.514 4.916 20 30 JJEDRN CC(C)Oc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H]2C(C)C)cn1 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C=CCOc1ccc(/C=C/C(=O)N=[S@@](C)(=O)c2cccc(Br)c2)cc1OC ZINC001439437665 1065828986 /nfs/dbraw/zinc/82/89/86/1065828986.db2.gz PUOHVKIDJUUOTG-GLNMAXCKSA-N 0 0 450.354 4.719 20 30 JJEDRN C=CCOc1ccc(CC(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001439588507 1065845269 /nfs/dbraw/zinc/84/52/69/1065845269.db2.gz WOJVIBINYCOYNM-NRFANRHFSA-N 0 0 450.579 4.914 20 30 JJEDRN C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1CCCc2ccccc21 ZINC001439626954 1065849667 /nfs/dbraw/zinc/84/96/67/1065849667.db2.gz RNPIGFSFYCQLJW-AREMUKBSSA-N 0 0 458.583 4.665 20 30 JJEDRN C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCCc2ccccc21 ZINC001439627012 1065849827 /nfs/dbraw/zinc/84/98/27/1065849827.db2.gz RNPIGFSFYCQLJW-SANMLTNESA-N 0 0 458.583 4.665 20 30 JJEDRN O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)C(F)(F)c1cc(F)cc(F)c1 ZINC001439637255 1065851112 /nfs/dbraw/zinc/85/11/12/1065851112.db2.gz HNKCBVVSRLXZAF-UHFFFAOYSA-N 0 0 450.354 4.546 20 30 JJEDRN Cc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1S(=O)(=O)N(C)C ZINC001439665475 1065854507 /nfs/dbraw/zinc/85/45/07/1065854507.db2.gz YARPMYLWMFEDKQ-UHFFFAOYSA-N 0 0 451.573 4.521 20 30 JJEDRN CN1C(=O)C[C@@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001439718177 1065864019 /nfs/dbraw/zinc/86/40/19/1065864019.db2.gz KFHHDEIYDWTWRB-AUSIDOKSSA-N 0 0 456.373 4.791 20 30 JJEDRN C[C@@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001439734411 1065867362 /nfs/dbraw/zinc/86/73/62/1065867362.db2.gz ZKYYAWJVKQKPEL-YJBOKZPZSA-N 0 0 452.393 4.646 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1C ZINC001360771322 1065868240 /nfs/dbraw/zinc/86/82/40/1065868240.db2.gz ZFXYIIGDTGSFSM-UHFFFAOYSA-N 0 0 457.534 4.911 20 30 JJEDRN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439785418 1065876336 /nfs/dbraw/zinc/87/63/36/1065876336.db2.gz CDHICFDHFDVVHQ-FXAINCCUSA-N 0 0 451.741 4.737 20 30 JJEDRN O=C(N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)c1c(F)cccc1F ZINC001439787520 1065876842 /nfs/dbraw/zinc/87/68/42/1065876842.db2.gz IOPSJWHQCCHFNM-BQBZGAKWSA-N 0 0 459.230 4.686 20 30 JJEDRN CCn1cc(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001439788116 1065876977 /nfs/dbraw/zinc/87/69/77/1065876977.db2.gz KVMGGYYMWPOCDB-ZIAGYGMSSA-N 0 0 454.361 4.833 20 30 JJEDRN O=C(CCCOCCc1ccccc1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439788435 1065877313 /nfs/dbraw/zinc/87/73/13/1065877313.db2.gz LWXPGVBDQCPXOV-HUUCEWRRSA-N 0 0 459.377 4.655 20 30 JJEDRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC001439841719 1065885980 /nfs/dbraw/zinc/88/59/80/1065885980.db2.gz LZNLEGUSMLDTTR-HXUWFJFHSA-N 0 0 455.514 4.850 20 30 JJEDRN N#Cc1cc(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)cnc1C(F)(F)F ZINC001360779881 1065887465 /nfs/dbraw/zinc/88/74/65/1065887465.db2.gz QMSFWNICYXBMPN-UHFFFAOYSA-N 0 0 452.274 4.976 20 30 JJEDRN CC1(C)SCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360780943 1065891578 /nfs/dbraw/zinc/89/15/78/1065891578.db2.gz NZHBNRHKTUQHPL-HOYKHHGWSA-N 0 0 487.073 4.523 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C ZINC001360781186 1065892132 /nfs/dbraw/zinc/89/21/32/1065892132.db2.gz SQWHQPDAOVCBJC-KBMIEXCESA-N 0 0 458.651 4.885 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NC/C=C/Cl)ccc1Cl ZINC001439920225 1065892473 /nfs/dbraw/zinc/89/24/73/1065892473.db2.gz GURDOHQYQYHZGV-XCVCLJGOSA-N 0 0 459.782 4.857 20 30 JJEDRN C[C@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@](C)(C#N)C2)CCCO1 ZINC001360783249 1065894771 /nfs/dbraw/zinc/89/47/71/1065894771.db2.gz GJZCCEHQSBUVBX-NHCUHLMSSA-N 0 0 462.367 4.546 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C/C=C/c2ccccc2)C1 ZINC001360783485 1065895727 /nfs/dbraw/zinc/89/57/27/1065895727.db2.gz LESKVBKVOAHLMP-XPUAEESYSA-N 0 0 451.372 4.879 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C/C=C/c2ccccc2)C1 ZINC001360783483 1065895859 /nfs/dbraw/zinc/89/58/59/1065895859.db2.gz LESKVBKVOAHLMP-FSNDINTDSA-N 0 0 451.372 4.879 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccncc2Cl)C1 ZINC001360783807 1065897141 /nfs/dbraw/zinc/89/71/41/1065897141.db2.gz RXVSVCMBBOEGOX-LJQANCHMSA-N 0 0 477.819 4.996 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)NC2CCCCC2)C1 ZINC001360783903 1065897968 /nfs/dbraw/zinc/89/79/68/1065897968.db2.gz UFCYMBCQRJRKMB-QHCPKHFHSA-N 0 0 475.424 4.831 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2Cc2cc(Br)cs2)C1 ZINC001360784785 1065898680 /nfs/dbraw/zinc/89/86/80/1065898680.db2.gz KKIOQEBHDMMOTG-LJQANCHMSA-N 0 0 462.442 4.933 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(Br)ccc2F)C1 ZINC001360785167 1065899071 /nfs/dbraw/zinc/89/90/71/1065899071.db2.gz QTOFRRSILRBTSC-KNQAVFIVSA-N 0 0 476.394 4.794 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(Br)ccc2F)C1 ZINC001360785166 1065899132 /nfs/dbraw/zinc/89/91/32/1065899132.db2.gz QTOFRRSILRBTSC-DENIHFKCSA-N 0 0 476.394 4.794 20 30 JJEDRN C#Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC001439971373 1065899390 /nfs/dbraw/zinc/89/93/90/1065899390.db2.gz NUSNNWUNMHPHQM-VPUSJEBWSA-N 0 0 454.526 4.808 20 30 JJEDRN CC(C)(C)Oc1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 ZINC001360785225 1065899261 /nfs/dbraw/zinc/89/92/61/1065899261.db2.gz RNVVHIIDLHVVKP-SANMLTNESA-N 0 0 462.573 4.759 20 30 JJEDRN CC(C)(C)OC(=O)N1CC=C(Cn2c(Cc3ccsc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001360785524 1065899733 /nfs/dbraw/zinc/89/97/33/1065899733.db2.gz XHZJIJCSINXMKI-RUZDIDTESA-N 0 0 482.654 4.628 20 30 JJEDRN C#Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC001439971378 1065900126 /nfs/dbraw/zinc/90/01/26/1065900126.db2.gz NUSNNWUNMHPHQM-XNMGPUDCSA-N 0 0 454.526 4.808 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360787842 1065901037 /nfs/dbraw/zinc/90/10/37/1065901037.db2.gz FAZATOKZUVPCLD-WXVAWEFUSA-N 0 0 478.641 4.593 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccncc2Cl)C1 ZINC001360787791 1065901186 /nfs/dbraw/zinc/90/11/86/1065901186.db2.gz CLFYMJLQOIAUHA-JOCHJYFZSA-N 0 0 457.365 4.737 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@H](CCn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001360787865 1065901486 /nfs/dbraw/zinc/90/14/86/1065901486.db2.gz FNTVUTKUUKZGID-LVXARBLLSA-N 0 0 470.662 4.788 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](CCn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001360787867 1065901533 /nfs/dbraw/zinc/90/15/33/1065901533.db2.gz FNTVUTKUUKZGID-RLWLMLJZSA-N 0 0 470.662 4.788 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CC=CCO2)C1 ZINC001360787860 1065901654 /nfs/dbraw/zinc/90/16/54/1065901654.db2.gz FNABHMJPBYWVHH-HTAPYJJXSA-N 0 0 462.381 4.639 20 30 JJEDRN CC(C)(C)c1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCC(F)F)cc1 ZINC001360787882 1065901678 /nfs/dbraw/zinc/90/16/78/1065901678.db2.gz GBWHIRRWXMHYHL-DEOSSOPVSA-N 0 0 461.557 4.566 20 30 JJEDRN CC(C)(C)c1csc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)n1 ZINC001360788042 1065901951 /nfs/dbraw/zinc/90/19/51/1065901951.db2.gz JUSQVIKPKVBDSN-DEOSSOPVSA-N 0 0 468.602 4.929 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCc2cc(C(F)(F)F)ccn2)C1 ZINC001360788090 1065901996 /nfs/dbraw/zinc/90/19/96/1065901996.db2.gz KYRYEZDJEHTSJG-QHCPKHFHSA-N 0 0 488.489 4.783 20 30 JJEDRN CC(F)(F)c1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)c1 ZINC001360788250 1065902690 /nfs/dbraw/zinc/90/26/90/1065902690.db2.gz OPPPWLOXDKVTAN-HSZRJFAPSA-N 0 0 484.576 4.560 20 30 JJEDRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360788358 1065902710 /nfs/dbraw/zinc/90/27/10/1065902710.db2.gz QWMLQLMGWNAIHL-ZVGUJKQYSA-N 0 0 482.576 4.850 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001360788787 1065903140 /nfs/dbraw/zinc/90/31/40/1065903140.db2.gz FGAGNLRXETXHMG-DOTOQJQBSA-N 0 0 476.394 4.528 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(C#N)CC1 ZINC001360789026 1065903669 /nfs/dbraw/zinc/90/36/69/1065903669.db2.gz OEQRGHGWDCUMNM-SFHVURJKSA-N 0 0 486.020 4.523 20 30 JJEDRN CC(C)(C)OC(=O)NCCCCn1c(-c2cccc3cccnc32)nnc1N1CCC(C)(C#N)CC1 ZINC001360789148 1065904054 /nfs/dbraw/zinc/90/40/54/1065904054.db2.gz UBDSYLVYNUFXEX-UHFFFAOYSA-N 0 0 489.624 4.928 20 30 JJEDRN CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001360790916 1065905572 /nfs/dbraw/zinc/90/55/72/1065905572.db2.gz KSLVQEJQZZCPGU-NZQKXSOJSA-N 0 0 453.606 4.979 20 30 JJEDRN CC1(C#N)CCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(Br)ccc2F)CC1 ZINC001360791199 1065905997 /nfs/dbraw/zinc/90/59/97/1065905997.db2.gz RKARSYRBHASYGT-LJQANCHMSA-N 0 0 476.394 4.794 20 30 JJEDRN CC(C)(C)OC(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001360792157 1065906387 /nfs/dbraw/zinc/90/63/87/1065906387.db2.gz IBNHDUGDKAANHO-UHFFFAOYSA-N 0 0 489.020 4.555 20 30 JJEDRN CC(C)(C)c1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCOCC(F)F)cc1 ZINC001360792225 1065906483 /nfs/dbraw/zinc/90/64/83/1065906483.db2.gz JXJDVUQFDCRNCF-UHFFFAOYSA-N 0 0 461.557 4.566 20 30 JJEDRN CC(C)(C)c1csc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)n1 ZINC001360792080 1065906555 /nfs/dbraw/zinc/90/65/55/1065906555.db2.gz FOWFDLJBEZKYOQ-UHFFFAOYSA-N 0 0 468.602 4.929 20 30 JJEDRN CC1(C#N)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CC=CCO2)CC1 ZINC001360792104 1065906571 /nfs/dbraw/zinc/90/65/71/1065906571.db2.gz GDOWTNDYJCNNJO-KRWDZBQOSA-N 0 0 462.381 4.639 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCC[C@H]1CCCCO1 ZINC001360792473 1065907024 /nfs/dbraw/zinc/90/70/24/1065907024.db2.gz RGFHJJPYPOTIHW-RTWAWAEBSA-N 0 0 486.661 4.829 20 30 JJEDRN CC1(C#N)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC1 ZINC001360792381 1065907091 /nfs/dbraw/zinc/90/70/91/1065907091.db2.gz OGGGAJWLUJWKOY-UHFFFAOYSA-N 0 0 452.971 4.622 20 30 JJEDRN CC1(C)CC(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001360801771 1065912591 /nfs/dbraw/zinc/91/25/91/1065912591.db2.gz NNUNOLUPCOLVJJ-HXUWFJFHSA-N 0 0 450.331 4.725 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC001440178206 1065921500 /nfs/dbraw/zinc/92/15/00/1065921500.db2.gz ATOXABVTJKGUPF-SFHVURJKSA-N 0 0 453.505 4.864 20 30 JJEDRN N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC001360822539 1065936734 /nfs/dbraw/zinc/93/67/34/1065936734.db2.gz PPEGTFCSYUTYCS-UHFFFAOYSA-N 0 0 457.555 4.721 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@H](C)C2)ccc1Cl ZINC001360828481 1065940436 /nfs/dbraw/zinc/94/04/36/1065940436.db2.gz RNBLODDYDSQLQN-IYBDPMFKSA-N 0 0 450.963 4.588 20 30 JJEDRN C=C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC001440430705 1065940913 /nfs/dbraw/zinc/94/09/13/1065940913.db2.gz ACCKCJKQRRDCNY-OAQYLSRUSA-N 0 0 451.504 4.612 20 30 JJEDRN CC1(C)SCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360833211 1065944650 /nfs/dbraw/zinc/94/46/50/1065944650.db2.gz UALKBRXPBZYACE-SFHVURJKSA-N 0 0 477.556 4.959 20 30 JJEDRN CC1(C)SCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001360833108 1065944715 /nfs/dbraw/zinc/94/47/15/1065944715.db2.gz RTZSSSQMKZRTAI-YCRPNKLZSA-N 0 0 494.434 4.593 20 30 JJEDRN CC1(C)SCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001360833106 1065944724 /nfs/dbraw/zinc/94/47/24/1065944724.db2.gz RTZSSSQMKZRTAI-QVKFZJNVSA-N 0 0 494.434 4.593 20 30 JJEDRN CC1(Cn2c(COc3ccc(Br)cc3)nnc2N(CCC#N)CC2CC2)CCOCC1 ZINC001360844495 1065953402 /nfs/dbraw/zinc/95/34/02/1065953402.db2.gz XGVYGYSFQVBPSN-UHFFFAOYSA-N 0 0 488.430 4.566 20 30 JJEDRN C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC=C(Br)C2)CCCS1 ZINC001360844486 1065953446 /nfs/dbraw/zinc/95/34/46/1065953446.db2.gz WYZUAQIFECTLRU-NRFANRHFSA-N 0 0 474.428 4.503 20 30 JJEDRN O=C(c1cccc(F)c1OC(F)(F)F)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001440614851 1065954114 /nfs/dbraw/zinc/95/41/14/1065954114.db2.gz FQETUCBGVVVEPY-UHFFFAOYSA-N 0 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JJEDRN Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCCC2)cnn1CC(C)C ZINC001360976946 1066133020 /nfs/dbraw/zinc/13/30/20/1066133020.db2.gz ZFWQMIPJFRJSSN-UHFFFAOYSA-N 0 0 475.641 4.955 20 30 JJEDRN Cc1c2ccccc2oc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N ZINC001360977178 1066134122 /nfs/dbraw/zinc/13/41/22/1066134122.db2.gz HJDREBSWCHDBEO-YTQUADARSA-N 0 0 478.597 4.890 20 30 JJEDRN Cc1c(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C[C@H](C)C#N)cnn1CC(C)C ZINC001360977446 1066134714 /nfs/dbraw/zinc/13/47/14/1066134714.db2.gz QQXCFQJDELWAPX-MRXNPFEDSA-N 0 0 490.439 4.969 20 30 JJEDRN C=CC[C@]1(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CCCN1C(=O)OC(C)(C)C ZINC001360981231 1066139570 /nfs/dbraw/zinc/13/95/70/1066139570.db2.gz KQDKNHHGTKAOHG-RUZDIDTESA-N 0 0 450.539 4.618 20 30 JJEDRN C=CC1(CC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)CN(C(=O)OC(C)(C)C)C1 ZINC001442611354 1066144953 /nfs/dbraw/zinc/14/49/53/1066144953.db2.gz QPHURTZYGWYCCC-LJQANCHMSA-N 0 0 455.599 4.761 20 30 JJEDRN 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C[C@@H]1COCCN1c1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 ZINC001360996368 1066174809 /nfs/dbraw/zinc/17/48/09/1066174809.db2.gz IHZHQVUBJLHYMF-GOSISDBHSA-N 0 0 452.986 4.682 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)c(C)o1 ZINC001360997875 1066176823 /nfs/dbraw/zinc/17/68/23/1066176823.db2.gz PNCLFVAWPAQFMQ-DNQXCXABSA-N 0 0 453.974 4.846 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@@H](C)C#N)c(C)o1 ZINC001360998052 1066177022 /nfs/dbraw/zinc/17/70/22/1066177022.db2.gz SXOCZQYSWIPPEH-YGNPSHASSA-N 0 0 465.598 4.748 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)c2)nc1 ZINC001361005299 1066183515 /nfs/dbraw/zinc/18/35/15/1066183515.db2.gz HZKOQTBBDHRPME-OAHLLOKOSA-N 0 0 450.857 4.530 20 30 JJEDRN Cc1cccc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H](C)C#N)c1 ZINC001361004995 1066183554 /nfs/dbraw/zinc/18/35/54/1066183554.db2.gz WUVIAPAICKLGTA-IRXDYDNUSA-N 0 0 455.404 4.754 20 30 JJEDRN COc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)cc(Br)c1OC ZINC001361005617 1066184092 /nfs/dbraw/zinc/18/40/92/1066184092.db2.gz WZPIFLXIAGZNKH-UHFFFAOYSA-N 0 0 454.280 4.778 20 30 JJEDRN Cc1cc(C(F)(F)F)ccc1Cn1c(Cc2ccccn2)nnc1N1CCC(CC#N)CC1 ZINC001361008120 1066188206 /nfs/dbraw/zinc/18/82/06/1066188206.db2.gz IGOKZCYPVVDILP-UHFFFAOYSA-N 0 0 454.500 4.770 20 30 JJEDRN Cc1cc(C(F)(F)F)ccc1Cn1c(N(CCC#N)CC2CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001361008727 1066190572 /nfs/dbraw/zinc/19/05/72/1066190572.db2.gz QVHCFXGCBSCKMX-DEOSSOPVSA-N 0 0 491.558 4.824 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccc(Cl)cc2Br)c1C ZINC001361017017 1066205044 /nfs/dbraw/zinc/20/50/44/1066205044.db2.gz YHHLBJXUXGDUEB-UHFFFAOYSA-N 0 0 459.731 4.794 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(N3CCC(C)CC3)nc2)c1 ZINC001361018052 1066207256 /nfs/dbraw/zinc/20/72/56/1066207256.db2.gz HUQPAOXWTOBQAO-HSZRJFAPSA-N 0 0 487.652 4.749 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC(C)(C#N)CC2)O1 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CMSFBERZDSHOLC-FGZHOGPDSA-N 0 0 451.954 4.850 20 30 JJEDRN N#Cc1c(N)c(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)ccc1F ZINC001454343769 1066273140 /nfs/dbraw/zinc/27/31/40/1066273140.db2.gz BZWUZYJEIHKMDA-UHFFFAOYSA-N 0 0 453.271 4.547 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)s1 ZINC001454438145 1066282059 /nfs/dbraw/zinc/28/20/59/1066282059.db2.gz FYWAURQLRSIVSY-UHFFFAOYSA-N 0 0 450.344 4.856 20 30 JJEDRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC001545956381 1066288122 /nfs/dbraw/zinc/28/81/22/1066288122.db2.gz BLKHKTVUQWMOSG-OAQYLSRUSA-N 0 0 495.425 4.636 20 30 JJEDRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001443353376 1066299005 /nfs/dbraw/zinc/29/90/05/1066299005.db2.gz GPJCCEIVROMMRH-UHFFFAOYSA-N 0 0 455.486 4.635 20 30 JJEDRN COc1ccccc1[C@@H]1CCCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC001443364179 1066302600 /nfs/dbraw/zinc/30/26/00/1066302600.db2.gz MVACXUCEOFLZPT-NRFANRHFSA-N 0 0 454.368 4.519 20 30 JJEDRN 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CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC001443532937 1066324961 /nfs/dbraw/zinc/32/49/61/1066324961.db2.gz RMCHFILHOKFBBE-UHFFFAOYSA-N 0 0 452.562 4.569 20 30 JJEDRN Cc1noc(C)c1CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001361087820 1066328419 /nfs/dbraw/zinc/32/84/19/1066328419.db2.gz CXZWRPDWYCNAKR-XMMPIXPASA-N 0 0 486.979 4.541 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1OC ZINC001454734829 1066328802 /nfs/dbraw/zinc/32/88/02/1066328802.db2.gz QYVVZFXERFJYSY-XETPZZHUSA-N 0 0 458.599 4.815 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C#N)CC2)n1CC[C@H]1CCCCO1 ZINC001361088263 1066329696 /nfs/dbraw/zinc/32/96/96/1066329696.db2.gz GWJOTAIQEPPXBM-JOCHJYFZSA-N 0 0 472.033 4.951 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545960287 1066331114 /nfs/dbraw/zinc/33/11/14/1066331114.db2.gz AHSFYEWQYFLBQN-KBPBESRZSA-N 0 0 497.463 4.668 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001361088522 1066331452 /nfs/dbraw/zinc/33/14/52/1066331452.db2.gz IXPDNFHQHJGGBO-FHAGJXEFSA-N 0 0 490.023 4.899 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001361088529 1066331485 /nfs/dbraw/zinc/33/14/85/1066331485.db2.gz IYLAKIDZEYRRQP-FPOVZHCZSA-N 0 0 472.033 4.664 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545960290 1066331567 /nfs/dbraw/zinc/33/15/67/1066331567.db2.gz AHSFYEWQYFLBQN-ZIAGYGMSSA-N 0 0 497.463 4.668 20 30 JJEDRN CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCC(F)F)C1 ZINC001546066107 1066339800 /nfs/dbraw/zinc/33/98/00/1066339800.db2.gz GZJZXYKUHLYGHS-XMMPIXPASA-N 0 0 452.509 4.530 20 30 JJEDRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(Br)cc(N)c1N ZINC001443644440 1066344006 /nfs/dbraw/zinc/34/40/06/1066344006.db2.gz NWZKGQFPEUBEQA-UHFFFAOYSA-N 0 0 453.315 4.780 20 30 JJEDRN 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O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2n[nH]cc2C1 ZINC001546069886 1066368982 /nfs/dbraw/zinc/36/89/82/1066368982.db2.gz YEPJJRZVOSCEBN-RTHLEPHNSA-N 0 0 459.312 4.972 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545962440 1066369464 /nfs/dbraw/zinc/36/94/64/1066369464.db2.gz CMJWUDWMEOEWBA-RTBURBONSA-N 0 0 492.546 4.899 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)CCO2 ZINC001455273552 1066378452 /nfs/dbraw/zinc/37/84/52/1066378452.db2.gz KBGNIFZESSBEJV-UHFFFAOYSA-N 0 0 453.514 4.743 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001361125964 1066381131 /nfs/dbraw/zinc/38/11/31/1066381131.db2.gz IDRQIEOTQREVFG-IDISGSTGSA-N 0 0 465.642 4.970 20 30 JJEDRN Cc1nccn1CCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C#N)CC1 ZINC001361126488 1066384760 /nfs/dbraw/zinc/38/47/60/1066384760.db2.gz SPXROIQJEQXLPX-UHFFFAOYSA-N 0 0 461.614 4.624 20 30 JJEDRN Cc1nnsc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C)(C#N)CC1 ZINC001361126699 1066385915 /nfs/dbraw/zinc/38/59/15/1066385915.db2.gz YKNZDPHBAPRSKD-UHFFFAOYSA-N 0 0 465.627 4.627 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001361128207 1066391110 /nfs/dbraw/zinc/39/11/10/1066391110.db2.gz VFOMBLRZDJGBMK-JWQCQUIFSA-N 0 0 483.613 4.700 20 30 JJEDRN COC(=O)[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cccc(C(F)(F)F)c1 ZINC001455455122 1066391708 /nfs/dbraw/zinc/39/17/08/1066391708.db2.gz LCMCCCKKLBERHZ-OAQYLSRUSA-N 0 0 453.420 4.965 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2CCCCO2)c1 ZINC001361128339 1066392127 /nfs/dbraw/zinc/39/21/27/1066392127.db2.gz WSHNEYPXLAJNOJ-CPJSRVTESA-N 0 0 455.578 4.690 20 30 JJEDRN N#Cc1ccc(N2CCN(C(=O)c3ccccc3Nc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC001455477684 1066396095 /nfs/dbraw/zinc/39/60/95/1066396095.db2.gz YPKYFZWXYSCIDT-UHFFFAOYSA-N 0 0 452.345 4.966 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(C)C)c1 ZINC001361130968 1066397078 /nfs/dbraw/zinc/39/70/78/1066397078.db2.gz UBUOTISJDJWOCX-UHFFFAOYSA-N 0 0 487.652 4.928 20 30 JJEDRN CON=Cc1ccc(C(=O)N2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)cc1 ZINC001455508536 1066400325 /nfs/dbraw/zinc/40/03/25/1066400325.db2.gz FOIRCFJMGUAXGA-NZQKXSOJSA-N 0 0 457.615 4.993 20 30 JJEDRN C#CCN(C(=O)c1cc2cc(O)ccc2nc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC001444128512 1066410440 /nfs/dbraw/zinc/41/04/40/1066410440.db2.gz ZVNGELGWWDESBA-NRFANRHFSA-N 0 0 451.320 4.611 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC001455568847 1066411760 /nfs/dbraw/zinc/41/17/60/1066411760.db2.gz RWWWJZGQYMOTMI-DLBZAZTESA-N 0 0 453.377 4.639 20 30 JJEDRN Cc1cc(-c2ncccc2NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cs1 ZINC001455626670 1066416350 /nfs/dbraw/zinc/41/63/50/1066416350.db2.gz DSGULFKFVLUAGV-UHFFFAOYSA-N 0 0 453.365 4.828 20 30 JJEDRN CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001455621388 1066416520 /nfs/dbraw/zinc/41/65/20/1066416520.db2.gz LUEZKVGGNWSILE-MRXNPFEDSA-N 0 0 450.511 4.698 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(c2nc3cc(NC(=O)Cc4ccc(C#N)cc4)ccc3[nH]2)CC1 ZINC001455630120 1066417241 /nfs/dbraw/zinc/41/72/41/1066417241.db2.gz ZPLAOFOQTGKXIN-UHFFFAOYSA-N 0 0 459.550 4.730 20 30 JJEDRN CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1C#N ZINC001444168217 1066424292 /nfs/dbraw/zinc/42/42/92/1066424292.db2.gz FDRQVFNZTHSUEU-HNNXBMFYSA-N 0 0 457.559 4.691 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC001361146013 1066431070 /nfs/dbraw/zinc/43/10/70/1066431070.db2.gz OTPQNIOLEGOSJD-UNMCSNQZSA-N 0 0 451.615 4.952 20 30 JJEDRN N#Cc1cc(Cl)c(C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)c(Cl)c1 ZINC001455791079 1066431737 /nfs/dbraw/zinc/43/17/37/1066431737.db2.gz XHJUYISTODIELV-UHFFFAOYSA-N 0 0 450.123 4.743 20 30 JJEDRN C[C@H](CN(C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC001546076262 1066432800 /nfs/dbraw/zinc/43/28/00/1066432800.db2.gz JNQSZDZCOYHKDZ-MRXNPFEDSA-N 0 0 450.589 4.621 20 30 JJEDRN CCCNc1ccc(C#N)cc1NC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001444275448 1066442021 /nfs/dbraw/zinc/44/20/21/1066442021.db2.gz FWHSTJBHNHBUFK-UHFFFAOYSA-N 0 0 453.543 4.735 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)c2nccs2)c1 ZINC001361151881 1066444837 /nfs/dbraw/zinc/44/48/37/1066444837.db2.gz GBBLDBAUXURTHO-LJQANCHMSA-N 0 0 450.612 4.864 20 30 JJEDRN C=CCn1c(SCC(=O)NCCc2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1 ZINC001444337310 1066451051 /nfs/dbraw/zinc/45/10/51/1066451051.db2.gz WPRUCLMJTCJFLL-UHFFFAOYSA-N 0 0 452.967 4.982 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)Cc2cccs2)c1 ZINC001361155109 1066452478 /nfs/dbraw/zinc/45/24/78/1066452478.db2.gz LSZIGSXBXUHLAM-HOYKHHGWSA-N 0 0 453.587 4.856 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361155433 1066454286 /nfs/dbraw/zinc/45/42/86/1066454286.db2.gz CLDHCEOKYPJYLQ-SVBPBHIXSA-N 0 0 465.642 4.935 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361155432 1066454440 /nfs/dbraw/zinc/45/44/40/1066454440.db2.gz CLDHCEOKYPJYLQ-RRPNLBNLSA-N 0 0 465.642 4.935 20 30 JJEDRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC001444386101 1066456779 /nfs/dbraw/zinc/45/67/79/1066456779.db2.gz HMDQZWTZCYCMTI-SGTLLEGYSA-N 0 0 456.365 4.664 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)c1 ZINC001455950462 1066458186 /nfs/dbraw/zinc/45/81/86/1066458186.db2.gz RPDUFQAHDZUHRT-MUUNZHRXSA-N 0 0 456.517 4.952 20 30 JJEDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001444417754 1066460778 /nfs/dbraw/zinc/46/07/78/1066460778.db2.gz BCBYJMADZNTTNY-UHFFFAOYSA-N 0 0 455.514 4.885 20 30 JJEDRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)[C@@H](C)Cc4ccc(C#N)cc4)cc32)c1 ZINC001455963926 1066461888 /nfs/dbraw/zinc/46/18/88/1066461888.db2.gz KDEZOUPHWHKOKE-IBGZPJMESA-N 0 0 453.542 4.516 20 30 JJEDRN N#Cc1cncc(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 ZINC001456022244 1066479172 /nfs/dbraw/zinc/47/91/72/1066479172.db2.gz ZWMIZJPNTRLCDP-GRSHGNNSSA-N 0 0 455.499 4.718 20 30 JJEDRN Cc1ccc(C(=O)/C=C/C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)cc1 ZINC001456026458 1066480637 /nfs/dbraw/zinc/48/06/37/1066480637.db2.gz RXHGUHHPMDEALZ-IENJSVCTSA-N 0 0 452.526 4.603 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001444612276 1066482873 /nfs/dbraw/zinc/48/28/73/1066482873.db2.gz VOLVOHPQPGTGES-UHFFFAOYSA-N 0 0 457.490 4.690 20 30 JJEDRN Cc1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001361170315 1066485285 /nfs/dbraw/zinc/48/52/85/1066485285.db2.gz GTGWJAANKXDUPI-UHFFFAOYSA-N 0 0 459.468 4.838 20 30 JJEDRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC001361170497 1066485800 /nfs/dbraw/zinc/48/58/00/1066485800.db2.gz ITQZYKBWPQZBFI-HZPDHXFCSA-N 0 0 459.468 4.998 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)c2ccncc2)ccc1Cl ZINC001456041896 1066488818 /nfs/dbraw/zinc/48/88/18/1066488818.db2.gz DWLRJFAISNDCSG-UHFFFAOYSA-N 0 0 455.967 4.783 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC001444661945 1066489507 /nfs/dbraw/zinc/48/95/07/1066489507.db2.gz JQUVBMUFSQCZLB-UHFFFAOYSA-N 0 0 455.558 4.798 20 30 JJEDRN C=CC[C@@]1(C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C ZINC001444671050 1066491595 /nfs/dbraw/zinc/49/15/95/1066491595.db2.gz VZFROMIERFMNIH-DEOSSOPVSA-N 0 0 453.624 4.532 20 30 JJEDRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001456048152 1066492229 /nfs/dbraw/zinc/49/22/29/1066492229.db2.gz KQGSGSXXIRLFTP-QHCPKHFHSA-N 0 0 457.555 4.600 20 30 JJEDRN Cc1c(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(CCC#N)CCC(C)C)cnn1C ZINC001361191493 1066518224 /nfs/dbraw/zinc/51/82/24/1066518224.db2.gz VIRFYWPQADWNEJ-UHFFFAOYSA-N 0 0 484.446 4.872 20 30 JJEDRN Cc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2Cc2ccc(C#N)o2)cc1Br ZINC001361196844 1066524854 /nfs/dbraw/zinc/52/48/54/1066524854.db2.gz UZCCCZYZHGCFSF-GJZGRUSLSA-N 0 0 472.412 4.859 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361198337 1066527399 /nfs/dbraw/zinc/52/73/99/1066527399.db2.gz OTEGVUMYNGOILO-UHFFFAOYSA-N 0 0 488.592 4.879 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCC[C@@H]2C)cc1Br ZINC001361199923 1066529485 /nfs/dbraw/zinc/52/94/85/1066529485.db2.gz KSMPPMSWWIDDQB-GAJHUEQPSA-N 0 0 472.431 4.697 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@](C)(O)C(C)C)cc1Br ZINC001361203883 1066533634 /nfs/dbraw/zinc/53/36/34/1066533634.db2.gz DWMHONNPSTYVTJ-QFIPXVFZSA-N 0 0 460.420 4.553 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCC(F)(F)C2)cc1Br ZINC001361205406 1066536773 /nfs/dbraw/zinc/53/67/73/1066536773.db2.gz INHITLWUWXUNTD-AUUYWEPGSA-N 0 0 468.321 4.893 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(OC(C)C)nc2)cc1Br ZINC001361205745 1066537801 /nfs/dbraw/zinc/53/78/01/1066537801.db2.gz RCWQQFPXKWRGQW-HSZRJFAPSA-N 0 0 499.388 4.689 20 30 JJEDRN CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC001445163106 1066541284 /nfs/dbraw/zinc/54/12/84/1066541284.db2.gz VYXHBBHLXOPJHF-QTXHJTIISA-N 0 0 457.578 4.574 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361212155 1066546413 /nfs/dbraw/zinc/54/64/13/1066546413.db2.gz IDSJWPNSMWJHPR-CLOONOSVSA-N 0 0 468.602 4.624 20 30 JJEDRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001456253325 1066547576 /nfs/dbraw/zinc/54/75/76/1066547576.db2.gz PSGFXLWEGFGLKB-IBGZPJMESA-N 0 0 452.942 4.814 20 30 JJEDRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001456253329 1066547609 /nfs/dbraw/zinc/54/76/09/1066547609.db2.gz PSGFXLWEGFGLKB-LJQANCHMSA-N 0 0 452.942 4.814 20 30 JJEDRN N#Cc1ccccc1OCc1cccc(C(=O)N(CC(=O)N2CCCCC2)c2ccccc2)c1 ZINC001456273095 1066551848 /nfs/dbraw/zinc/55/18/48/1066551848.db2.gz WSEBIZOZNUBKDB-UHFFFAOYSA-N 0 0 453.542 4.797 20 30 JJEDRN CC1(C)C[C@H](CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C(C)(C)O1 ZINC001456273173 1066552215 /nfs/dbraw/zinc/55/22/15/1066552215.db2.gz LHVTXVCHUDMFGP-GOSISDBHSA-N 0 0 451.592 4.613 20 30 JJEDRN N#C[C@@H]1CN(C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CCN1Cc1ccccc1 ZINC001456275350 1066552978 /nfs/dbraw/zinc/55/29/78/1066552978.db2.gz NHFZZRLLRWUIDI-RUZDIDTESA-N 0 0 459.977 4.698 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)cc1 ZINC001445286686 1066553400 /nfs/dbraw/zinc/55/34/00/1066553400.db2.gz PQCZNHZNNCFKOM-KRWDZBQOSA-N 0 0 450.491 4.665 20 30 JJEDRN CCCCCCCC[C@H](C)CC(=O)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001456289696 1066556321 /nfs/dbraw/zinc/55/63/21/1066556321.db2.gz IYHCIMXDVWUSEL-PMACEKPBSA-N 0 0 452.636 4.632 20 30 JJEDRN CCCCCCCC[C@H](C)CC(=O)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001456289707 1066556356 /nfs/dbraw/zinc/55/63/56/1066556356.db2.gz IYHCIMXDVWUSEL-VQTJNVASSA-N 0 0 452.636 4.632 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)ccc1OC ZINC001456297630 1066557319 /nfs/dbraw/zinc/55/73/19/1066557319.db2.gz YSTUZBIIWSYUKG-NDIWIEOSSA-N 0 0 471.598 4.562 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)ccc1OC ZINC001456308071 1066560118 /nfs/dbraw/zinc/56/01/18/1066560118.db2.gz WIUALKOVUSVWGB-HXUWFJFHSA-N 0 0 452.942 4.762 20 30 JJEDRN N#Cc1ccc(Oc2ccc(OC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)cc2)cc1 ZINC001361222036 1066560621 /nfs/dbraw/zinc/56/06/21/1066560621.db2.gz QSJDCFNVBBCSBC-SFHVURJKSA-N 0 0 457.873 4.834 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cc4Cl)CC3)n2CCCOC(F)(F)F)o1 ZINC001361222548 1066560917 /nfs/dbraw/zinc/56/09/17/1066560917.db2.gz HTCSWUHZMFFXSG-UHFFFAOYSA-N 0 0 494.905 4.625 20 30 JJEDRN Cc1nnc(SCC(=O)Nc2ccc(Br)c(C#N)c2)n1-c1cc(C)ccc1C ZINC001456322378 1066562189 /nfs/dbraw/zinc/56/21/89/1066562189.db2.gz LMEJZGRVRYOYJB-UHFFFAOYSA-N 0 0 456.369 4.558 20 30 JJEDRN C[C@H](C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001456369740 1066572543 /nfs/dbraw/zinc/57/25/43/1066572543.db2.gz HKFMJLGTHCPQKK-MRXNPFEDSA-N 0 0 456.926 4.746 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCc1c(F)cccc1Cl ZINC001445470112 1066574894 /nfs/dbraw/zinc/57/48/94/1066574894.db2.gz XMKHWQRDLBBKRK-NRFANRHFSA-N 0 0 457.933 4.544 20 30 JJEDRN C#CCN(C(=O)c1ccc2c(C)cc(=O)[nH]c2c1)[C@H]1CCOc2ccc(Br)cc21 ZINC001456443985 1066588045 /nfs/dbraw/zinc/58/80/45/1066588045.db2.gz GFSBEJHFKBBNDV-FQEVSTJZSA-N 0 0 451.320 4.611 20 30 JJEDRN C#CCN(C(=O)c1ccc([C@H]2CCCOC2)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001456445752 1066588540 /nfs/dbraw/zinc/58/85/40/1066588540.db2.gz IORWFIIBJZTZAB-UGKGYDQZSA-N 0 0 454.364 4.942 20 30 JJEDRN C#CCN(C(=O)c1cnn(CCC(C)C)c1CC)[C@H]1CCOc2ccc(Br)cc21 ZINC001456452029 1066590929 /nfs/dbraw/zinc/59/09/29/1066590929.db2.gz XKTPITVDMJAMQP-NRFANRHFSA-N 0 0 458.400 4.853 20 30 JJEDRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(CC#N)ccn1 ZINC001445588028 1066592300 /nfs/dbraw/zinc/59/23/00/1066592300.db2.gz ZEAQWKZZGARZQE-HHHXNRCGSA-N 0 0 454.530 4.794 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)N1CCC[C@H]1c1ccccc1Br)c1ccccc1 ZINC001445601801 1066594124 /nfs/dbraw/zinc/59/41/24/1066594124.db2.gz QTEXJVVLPIVPKR-NRFANRHFSA-N 0 0 454.368 4.840 20 30 JJEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC001445635052 1066596919 /nfs/dbraw/zinc/59/69/19/1066596919.db2.gz YIWGWYRXJUEMGV-PZJWPPBQSA-N 0 0 452.894 4.562 20 30 JJEDRN N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H](NC(=O)c4ccc(Cl)cc4)C3)c2)cc1 ZINC001456489897 1066597269 /nfs/dbraw/zinc/59/72/69/1066597269.db2.gz OYHSOFQLQFWNSZ-DEOSSOPVSA-N 0 0 458.949 4.990 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)CCC[S@@](=O)c3ccc(Br)cc3)CC2)cc1 ZINC001456491945 1066598440 /nfs/dbraw/zinc/59/84/40/1066598440.db2.gz YAYFTDJFZJYUJI-MUUNZHRXSA-N 0 0 459.409 4.615 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)s1 ZINC001361260989 1066610983 /nfs/dbraw/zinc/61/09/83/1066610983.db2.gz CUUZLQNESYRCAL-XMMPIXPASA-N 0 0 479.631 4.704 20 30 JJEDRN CN(Cc1cccc(Cl)c1Cl)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N ZINC001445720671 1066611224 /nfs/dbraw/zinc/61/12/24/1066611224.db2.gz PZBYBMURBOPFRT-JXORXQGFSA-N 0 0 452.382 4.739 20 30 JJEDRN Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC001445784811 1066616635 /nfs/dbraw/zinc/61/66/35/1066616635.db2.gz TVKUHHOUZDWDIX-IBGZPJMESA-N 0 0 450.922 4.791 20 30 JJEDRN Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cn1 ZINC001361271948 1066625659 /nfs/dbraw/zinc/62/56/59/1066625659.db2.gz GHZZLZABSGWFDX-UHFFFAOYSA-N 0 0 469.496 4.680 20 30 JJEDRN Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)s1 ZINC001361273454 1066629468 /nfs/dbraw/zinc/62/94/68/1066629468.db2.gz RYFMVUORDMXTNM-UHFFFAOYSA-N 0 0 492.649 4.976 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001361275153 1066632226 /nfs/dbraw/zinc/63/22/26/1066632226.db2.gz RZOFFNKBEYQCAP-UHFFFAOYSA-N 0 0 453.458 4.792 20 30 JJEDRN O=C(/C=C/c1ccc2ccccc2n1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001456582016 1066632254 /nfs/dbraw/zinc/63/22/54/1066632254.db2.gz CKORGSVHQSQTFE-GODNBWANSA-N 0 0 450.329 4.877 20 30 JJEDRN N#Cc1cc(NC(=O)c2ccccc2SCc2cscn2)ccc1N1CCC(O)CC1 ZINC001446019996 1066646318 /nfs/dbraw/zinc/64/63/18/1066646318.db2.gz DJRJWWRNSRGALP-UHFFFAOYSA-N 0 0 450.589 4.520 20 30 JJEDRN Cc1ccccc1OCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC#N ZINC001492603006 1066659665 /nfs/dbraw/zinc/65/96/65/1066659665.db2.gz YTTNNWGPFOWBIN-OAHLLOKOSA-N 0 0 460.401 4.895 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccccc4C(F)(F)F)cs3)CC2=O)cc1 ZINC001456658433 1066661189 /nfs/dbraw/zinc/66/11/89/1066661189.db2.gz HHLIEYQUDGFKBV-AWEZNQCLSA-N 0 0 456.449 4.692 20 30 JJEDRN CCNc1ccc(C#N)cc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 ZINC001446109865 1066661284 /nfs/dbraw/zinc/66/12/84/1066661284.db2.gz ZTCSSQBRXQLVOF-SFHVURJKSA-N 0 0 457.962 4.942 20 30 JJEDRN Cc1cccnc1Cn1c(-c2cc(F)ccc2Br)nnc1N(CCC#N)CC1CC1 ZINC001492605149 1066663205 /nfs/dbraw/zinc/66/32/05/1066663205.db2.gz RKZACEQXMHXSLE-UHFFFAOYSA-N 0 0 469.362 4.729 20 30 JJEDRN CN1CC[C@@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@H]1c1ccc(F)cc1 ZINC001446196847 1066674261 /nfs/dbraw/zinc/67/42/61/1066674261.db2.gz RAORRTSOVUTFSK-FYYLOGMGSA-N 0 0 454.977 4.519 20 30 JJEDRN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2cccc(Br)c2)sc1C(=O)OCC ZINC001456734619 1066677459 /nfs/dbraw/zinc/67/74/59/1066677459.db2.gz VMQUFYLIGOACRN-ZBFHGGJFSA-N 0 0 450.354 4.884 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)c2)nc1 ZINC001456771514 1066686239 /nfs/dbraw/zinc/68/62/39/1066686239.db2.gz DCCGEEIWHNALTG-UHFFFAOYSA-N 0 0 454.530 4.555 20 30 JJEDRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1=O ZINC001456787748 1066690888 /nfs/dbraw/zinc/69/08/88/1066690888.db2.gz PBKDOIVZSQOANV-LAUBAEHRSA-N 0 0 455.562 4.866 20 30 JJEDRN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)c1F ZINC001446329203 1066691170 /nfs/dbraw/zinc/69/11/70/1066691170.db2.gz AMIQKJVOWYACJY-UHFFFAOYSA-N 0 0 450.270 4.964 20 30 JJEDRN Cc1cn2c(n1)[C@H](Cn1c(-c3ccc(Cl)nc3)nnc1N(CCC#N)CCC(C)C)CCC2 ZINC001492629339 1066700695 /nfs/dbraw/zinc/70/06/95/1066700695.db2.gz ZTJSUECBFSCUOM-FQEVSTJZSA-N 0 0 467.021 4.842 20 30 JJEDRN C[C@@H](C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001456857671 1066706768 /nfs/dbraw/zinc/70/67/68/1066706768.db2.gz BIXWRZLQVIDKQF-BONVTDFDSA-N 0 0 458.351 4.854 20 30 JJEDRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)NC(=O)OC(C)(C)C ZINC001545986500 1066708605 /nfs/dbraw/zinc/70/86/05/1066708605.db2.gz GOBOTBMWVWPMDA-FYYLOGMGSA-N 0 0 494.640 4.864 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H](C)CC#N)s1 ZINC001492631857 1066708973 /nfs/dbraw/zinc/70/89/73/1066708973.db2.gz SHJSSNJUOOATDX-DLBZAZTESA-N 0 0 487.674 4.700 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)C)C2)s1 ZINC001492632637 1066711400 /nfs/dbraw/zinc/71/14/00/1066711400.db2.gz JNDYDHVDDFNLCM-FXAWDEMLSA-N 0 0 450.612 4.780 20 30 JJEDRN Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001446500598 1066711413 /nfs/dbraw/zinc/71/14/13/1066711413.db2.gz XSRBPZZGNLRBAK-QFIPXVFZSA-N 0 0 451.523 4.710 20 30 JJEDRN Cc1csc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@](C)(C#N)C2)n1 ZINC001492638089 1066725497 /nfs/dbraw/zinc/72/54/97/1066725497.db2.gz CSFJVAHBEOIUBK-VDQVMUTISA-N 0 0 499.685 4.748 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@](C)(C#N)C2)n1 ZINC001492638078 1066725685 /nfs/dbraw/zinc/72/56/85/1066725685.db2.gz CSFJVAHBEOIUBK-AQQIPYHISA-N 0 0 499.685 4.748 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c(O)c1 ZINC001446667976 1066730846 /nfs/dbraw/zinc/73/08/46/1066730846.db2.gz ALJBNCIHSYLGOX-UHFFFAOYSA-N 0 0 453.886 4.702 20 30 JJEDRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)c2)n1 ZINC001446679917 1066730917 /nfs/dbraw/zinc/73/09/17/1066730917.db2.gz OAEDRGSIMVITID-UHFFFAOYSA-N 0 0 459.897 4.506 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cccc(F)c2)c1CCC ZINC001446759487 1066736811 /nfs/dbraw/zinc/73/68/11/1066736811.db2.gz UJEQTWUHRWAKEC-KRWDZBQOSA-N 0 0 450.942 4.938 20 30 JJEDRN Cc1csc(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)n1 ZINC001492643656 1066737474 /nfs/dbraw/zinc/73/74/74/1066737474.db2.gz PVTNVTDGCXCYIH-OALUTQOASA-N 0 0 482.679 4.847 20 30 JJEDRN Cc1csc(CCCCn2c(-c3cccc(Br)c3)nnc2N2CC[C@@](F)(C#N)C2)n1 ZINC001492643990 1066740712 /nfs/dbraw/zinc/74/07/12/1066740712.db2.gz FHZPPUOLGMNCSU-OAQYLSRUSA-N 0 0 489.418 4.937 20 30 JJEDRN Cc1csc(CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2c(C)noc2C)n1 ZINC001492644633 1066743262 /nfs/dbraw/zinc/74/32/62/1066743262.db2.gz UVEINMHGURBQEP-UHFFFAOYSA-N 0 0 461.595 4.846 20 30 JJEDRN Cc1ccc([C@H](NC(=O)c2cccc(SCC#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457072772 1066755235 /nfs/dbraw/zinc/75/52/35/1066755235.db2.gz OYMYQVPVGKRBDA-QHCPKHFHSA-N 0 0 450.585 4.534 20 30 JJEDRN Cc1csc(Cn2c(-c3cccc(Br)c3)nnc2N(CCC#N)CC2CC2)n1 ZINC001492649327 1066756405 /nfs/dbraw/zinc/75/64/05/1066756405.db2.gz YGMQJEWQZKRDQY-UHFFFAOYSA-N 0 0 457.401 4.651 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCCC#CC)ccc1Cl ZINC001446921644 1066756992 /nfs/dbraw/zinc/75/69/92/1066756992.db2.gz GRJSBNVCMZJTBC-UHFFFAOYSA-N 0 0 451.375 4.518 20 30 JJEDRN Cc1csc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(CCC#N)CCC(C)C)n1 ZINC001492651330 1066758788 /nfs/dbraw/zinc/75/87/88/1066758788.db2.gz MOZWRGVUTOKZQP-KDURUIRLSA-N 0 0 487.674 4.628 20 30 JJEDRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N2CCSC[C@@H]2C#N)s1 ZINC001446970366 1066760440 /nfs/dbraw/zinc/76/04/40/1066760440.db2.gz HCAAAFSAFYVDBI-KRWDZBQOSA-N 0 0 450.589 4.572 20 30 JJEDRN Cc1nc(SCC(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c(C#N)c(C)c1C ZINC001446979444 1066760967 /nfs/dbraw/zinc/76/09/67/1066760967.db2.gz FVUWKXLLEGVPEG-IBGZPJMESA-N 0 0 452.628 4.543 20 30 JJEDRN CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001446984600 1066762040 /nfs/dbraw/zinc/76/20/40/1066762040.db2.gz FSICAWKMSSXSST-RTWAWAEBSA-N 0 0 453.468 4.753 20 30 JJEDRN C=CC[C@H](CO)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccc([N+](=O)[O-])c1 ZINC001447025299 1066767347 /nfs/dbraw/zinc/76/73/47/1066767347.db2.gz ICLVMPBDYQJOIO-QIYXJHPLSA-N 0 0 457.530 4.934 20 30 JJEDRN Cc1nc(C)c(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)s1 ZINC001492656998 1066770007 /nfs/dbraw/zinc/77/00/07/1066770007.db2.gz LJOOMDHYOFGXTL-OAQYLSRUSA-N 0 0 477.034 4.982 20 30 JJEDRN Cc1nc(C)c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@](F)(C#N)C2)s1 ZINC001492659244 1066775271 /nfs/dbraw/zinc/77/52/71/1066775271.db2.gz VMPQPMCNRFWLBM-GAJHUEQPSA-N 0 0 454.575 4.599 20 30 JJEDRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 ZINC001492660918 1066779176 /nfs/dbraw/zinc/77/91/76/1066779176.db2.gz YYMMPNWJKKKZBZ-QFIPXVFZSA-N 0 0 457.003 4.762 20 30 JJEDRN Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)o1 ZINC001492660912 1066779290 /nfs/dbraw/zinc/77/92/90/1066779290.db2.gz YRWKWMRMBKJKJG-UHFFFAOYSA-N 0 0 458.570 4.755 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(Oc3cccnc3)c(F)c2)cs1 ZINC001492665108 1066785646 /nfs/dbraw/zinc/78/56/46/1066785646.db2.gz XINGSRQFOZAALU-MRXNPFEDSA-N 0 0 477.569 4.604 20 30 JJEDRN C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC001457212218 1066791782 /nfs/dbraw/zinc/79/17/82/1066791782.db2.gz ZYJJXVDWNFCLKY-UTKZUKDTSA-N 0 0 450.539 4.511 20 30 JJEDRN CC[C@H](C#N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001447365590 1066799774 /nfs/dbraw/zinc/79/97/74/1066799774.db2.gz UNGZTQGVUOHKQX-JLTOFOAXSA-N 0 0 458.349 4.626 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001447397839 1066803423 /nfs/dbraw/zinc/80/34/23/1066803423.db2.gz FFRXNTGRDIGCMY-ZWKOTPCHSA-N 0 0 453.352 4.558 20 30 JJEDRN CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CCO1 ZINC001546089363 1066806310 /nfs/dbraw/zinc/80/63/10/1066806310.db2.gz NFNQILHNMRFWKA-AOJNWGRGSA-N 0 0 451.615 4.663 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](C)Sc2ccccc2)cs1 ZINC001492673454 1066806891 /nfs/dbraw/zinc/80/68/91/1066806891.db2.gz UJJYGHDKJKJBDQ-KRWDZBQOSA-N 0 0 452.653 4.945 20 30 JJEDRN C#CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)c1nccs1 ZINC001457336587 1066812421 /nfs/dbraw/zinc/81/24/21/1066812421.db2.gz WMFCTRXODZDOJQ-UHFFFAOYSA-N 0 0 459.478 4.751 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccc(OCC(C)C)c2)cs1 ZINC001492676596 1066814359 /nfs/dbraw/zinc/81/43/59/1066814359.db2.gz JQBMVMUSSOHTMC-RUZDIDTESA-N 0 0 464.639 4.847 20 30 JJEDRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001447490066 1066814615 /nfs/dbraw/zinc/81/46/15/1066814615.db2.gz XHIKYDDEOKJJSV-WMZOPIPTSA-N 0 0 456.612 4.520 20 30 JJEDRN C=CC[C@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)CCCN1C(=O)OC(C)(C)C ZINC001457361433 1066816544 /nfs/dbraw/zinc/81/65/44/1066816544.db2.gz UATFILOJRNHJMN-HYBUGGRVSA-N 0 0 458.990 4.588 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(I)c1C ZINC001447532102 1066818859 /nfs/dbraw/zinc/81/88/59/1066818859.db2.gz MOWQEJDBGQANTK-UHFFFAOYSA-N 0 0 459.287 4.602 20 30 JJEDRN C=CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)C(=O)OCC ZINC001447549684 1066820260 /nfs/dbraw/zinc/82/02/60/1066820260.db2.gz JYTHSQLQYKEPMX-LJQANCHMSA-N 0 0 453.336 4.902 20 30 JJEDRN C=CC[C@@H](NC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C)C(=O)OCC ZINC001447552292 1066820980 /nfs/dbraw/zinc/82/09/80/1066820980.db2.gz OZDZVULQIHVEIG-WBVHZDCISA-N 0 0 459.370 4.525 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001447629420 1066831432 /nfs/dbraw/zinc/83/14/32/1066831432.db2.gz DJQLKCBWXGYXOO-HXUWFJFHSA-N 0 0 457.452 4.670 20 30 JJEDRN O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001457495849 1066842989 /nfs/dbraw/zinc/84/29/89/1066842989.db2.gz YZBXDCPEDBVPOB-UHFFFAOYSA-N 0 0 458.583 4.903 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@H]2C(C)C)s1 ZINC001492695982 1066844584 /nfs/dbraw/zinc/84/45/84/1066844584.db2.gz SNDOZPHBSODRNQ-IRLDBZIGSA-N 0 0 450.612 4.669 20 30 JJEDRN CC[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457538811 1066854915 /nfs/dbraw/zinc/85/49/15/1066854915.db2.gz IPDSIOYEWJDNAW-SXOMAYOGSA-N 0 0 455.558 4.760 20 30 JJEDRN Cc1ncc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)s1 ZINC001492700081 1066855669 /nfs/dbraw/zinc/85/56/69/1066855669.db2.gz CQQWMEACTHPSHU-UHFFFAOYSA-N 0 0 493.637 4.514 20 30 JJEDRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC001447788975 1066857060 /nfs/dbraw/zinc/85/70/60/1066857060.db2.gz BZIYMMYZFIAEQY-FXAWDEMLSA-N 0 0 456.587 4.538 20 30 JJEDRN Cc1nccn1CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 ZINC001492705500 1066865552 /nfs/dbraw/zinc/86/55/52/1066865552.db2.gz HWBMNLCOIPJGHD-LJQANCHMSA-N 0 0 465.577 4.673 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Br)c3)CC2=O)cc1Cl ZINC001457618633 1066881104 /nfs/dbraw/zinc/88/11/04/1066881104.db2.gz MHDBEDHLXKQBLL-LLVKDONJSA-N 0 0 453.123 4.619 20 30 JJEDRN COc1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)ccc1C#N ZINC001447984317 1066887948 /nfs/dbraw/zinc/88/79/48/1066887948.db2.gz QAJANWORFFRTSX-QFIPXVFZSA-N 0 0 452.457 4.544 20 30 JJEDRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001492721263 1066892847 /nfs/dbraw/zinc/89/28/47/1066892847.db2.gz RDYQGXQYOHHWKM-UHFFFAOYSA-N 0 0 497.447 4.537 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)s1 ZINC001448158659 1066905139 /nfs/dbraw/zinc/90/51/39/1066905139.db2.gz IOIWAMTWFWLXPK-FUHIMQAGSA-N 0 0 453.029 4.580 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@](C)(C#N)CC(C)C)c1 ZINC001457729440 1066905622 /nfs/dbraw/zinc/90/56/22/1066905622.db2.gz SRYDIARGNLVWMY-HSZRJFAPSA-N 0 0 459.999 4.779 20 30 JJEDRN N#CCOc1ccc(CC(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 ZINC001457746078 1066909921 /nfs/dbraw/zinc/90/99/21/1066909921.db2.gz FUZHIEHMHDKZOE-QHCPKHFHSA-N 0 0 453.311 4.939 20 30 JJEDRN Cc1c(Br)c(C)n(NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)c(=O)c1C#N ZINC001457780999 1066918365 /nfs/dbraw/zinc/91/83/65/1066918365.db2.gz ZMEBVMJVVQMLJL-UHFFFAOYSA-N 0 0 456.384 4.832 20 30 JJEDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(C#N)cc2F)c1 ZINC001457796628 1066922716 /nfs/dbraw/zinc/92/27/16/1066922716.db2.gz HATLIGBVEKUOJN-UHFFFAOYSA-N 0 0 458.898 4.785 20 30 JJEDRN COc1ccc(C2CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)CC2)cn1 ZINC001457892562 1066937552 /nfs/dbraw/zinc/93/75/52/1066937552.db2.gz WXFOGAYYUCRGGY-UHFFFAOYSA-N 0 0 452.986 4.628 20 30 JJEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001457952492 1066947115 /nfs/dbraw/zinc/94/71/15/1066947115.db2.gz PXPROGWYJAYKFN-VHJRXTOZSA-N 0 0 470.404 4.591 20 30 JJEDRN CCCCCCN(O)C(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC ZINC001458009757 1066956353 /nfs/dbraw/zinc/95/63/53/1066956353.db2.gz FGTMTMOAIMOFIG-RCZVLFRGSA-N 0 0 454.567 4.986 20 30 JJEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](OCC2CCCC2)c2ccccc2)CC1 ZINC001448829826 1066960698 /nfs/dbraw/zinc/96/06/98/1066960698.db2.gz MWWRMFLNWOAYJJ-DQEYMECFSA-N 0 0 451.998 4.997 20 30 JJEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC001448832446 1066960764 /nfs/dbraw/zinc/96/07/64/1066960764.db2.gz QANPDHAMEFUMBI-SFHVURJKSA-N 0 0 453.167 4.779 20 30 JJEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](OCC2CCCC2)c2ccccc2)CC1 ZINC001448829829 1066960840 /nfs/dbraw/zinc/96/08/40/1066960840.db2.gz MWWRMFLNWOAYJJ-RPBOFIJWSA-N 0 0 451.998 4.997 20 30 JJEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)/C=C\c3cccc(-c4ccc(Cl)cc4)c3)C2=O)cc1 ZINC001448839141 1066961690 /nfs/dbraw/zinc/96/16/90/1066961690.db2.gz GTOWTMQLNJWGEJ-SXUJQFLNSA-N 0 0 455.945 4.809 20 30 JJEDRN COc1ccc(OCc2nnc(Sc3ncc(C#N)cc3F)n2-c2ccccc2F)cc1 ZINC001458083709 1066970198 /nfs/dbraw/zinc/97/01/98/1066970198.db2.gz IBFQWIJAIFBSKO-UHFFFAOYSA-N 0 0 451.458 4.551 20 30 JJEDRN CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1csc(Br)c1)OC ZINC001546010642 1066972585 /nfs/dbraw/zinc/97/25/85/1066972585.db2.gz OZKNBHMZEMJBFN-QGZVFWFLSA-N 0 0 490.427 4.614 20 30 JJEDRN CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC001546010787 1066973538 /nfs/dbraw/zinc/97/35/38/1066973538.db2.gz RXMOKLAMMLAWEB-NRFANRHFSA-N 0 0 482.629 4.517 20 30 JJEDRN CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545720138 1066974400 /nfs/dbraw/zinc/97/44/00/1066974400.db2.gz RKZKSEJUJRDLON-KSEOMHKRSA-N 0 0 468.646 4.965 20 30 JJEDRN CCc1c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)nnn1-c1ccc(OC(C)C)cc1 ZINC001458172321 1066995979 /nfs/dbraw/zinc/99/59/79/1066995979.db2.gz PISFFVFIFAUOJK-UHFFFAOYSA-N 0 0 458.547 4.864 20 30 JJEDRN CCOc1ccc([C@@]2(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)CC2(Cl)Cl)cc1 ZINC001458173751 1066996286 /nfs/dbraw/zinc/99/62/86/1066996286.db2.gz WYQANWCWMNEIEZ-GOSISDBHSA-N 0 0 454.697 4.973 20 30 JJEDRN Cc1nc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)nn1-c1c(Cl)cccc1Cl ZINC001458174050 1066996401 /nfs/dbraw/zinc/99/64/01/1066996401.db2.gz YGHUXBRULLXSHR-UHFFFAOYSA-N 0 0 451.657 4.568 20 30 JJEDRN C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC001458178322 1066997875 /nfs/dbraw/zinc/99/78/75/1066997875.db2.gz ZPKNEVJVSUGLKO-HXUWFJFHSA-N 0 0 454.514 4.829 20 30 JJEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001449311675 1066998311 /nfs/dbraw/zinc/99/83/11/1066998311.db2.gz OUPDFHZGBKOEQN-UHFFFAOYSA-N 0 0 459.521 4.911 20 30 JJEDRN N#CC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)CCC1 ZINC001458185446 1066999730 /nfs/dbraw/zinc/99/97/30/1066999730.db2.gz FSTPBDLUSXWCOB-UHFFFAOYSA-N 0 0 458.374 4.896 20 30 JJEDRN CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001546013136 1067000408 /nfs/dbraw/zinc/00/04/08/1067000408.db2.gz VMRNWFCDZHJLFY-FPOVZHCZSA-N 0 0 482.629 4.658 20 30 JJEDRN C[C@]1(c2ccccc2)CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC001449332217 1067000882 /nfs/dbraw/zinc/00/08/82/1067000882.db2.gz GFOKFVXDHASGHE-SANMLTNESA-N 0 0 457.534 4.956 20 30 JJEDRN CC(C)[C@H](C#N)N1CCN(c2cc(C(F)(F)F)nc3c(F)cc(Br)cc32)CC1 ZINC001458192158 1067001226 /nfs/dbraw/zinc/00/12/26/1067001226.db2.gz XXFCCWBYRLXQHU-INIZCTEOSA-N 0 0 459.285 4.825 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(CC)c(Cl)c2)CC1 ZINC001449359554 1067003860 /nfs/dbraw/zinc/00/38/60/1067003860.db2.gz AQNBGEUVTUDYOQ-NRFANRHFSA-N 0 0 450.023 4.801 20 30 JJEDRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc2)c1 ZINC001458221406 1067006476 /nfs/dbraw/zinc/00/64/76/1067006476.db2.gz VTJXEMVKCJQYJB-GOSISDBHSA-N 0 0 450.516 4.614 20 30 JJEDRN C=CCC1(CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)CCCC1 ZINC001449425844 1067009602 /nfs/dbraw/zinc/00/96/02/1067009602.db2.gz JAHZARGMZUTTHR-GOSISDBHSA-N 0 0 453.446 4.553 20 30 JJEDRN Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(I)cc1Cl ZINC001458254099 1067013212 /nfs/dbraw/zinc/01/32/12/1067013212.db2.gz NVWQCZXZHFMCGT-UHFFFAOYSA-N 0 0 450.707 4.930 20 30 JJEDRN COc1ccc(Cl)c(-c2cc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)on2)c1 ZINC001458255406 1067013654 /nfs/dbraw/zinc/01/36/54/1067013654.db2.gz REWQZPQCDQYJTI-UHFFFAOYSA-N 0 0 454.273 4.967 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)CCCCOc3cccc(C#N)c3)C2)C1 ZINC001449709465 1067022620 /nfs/dbraw/zinc/02/26/20/1067022620.db2.gz RZEHCAJKBRZTSI-VXKWHMMOSA-N 0 0 455.599 4.603 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001449713823 1067022749 /nfs/dbraw/zinc/02/27/49/1067022749.db2.gz VCHJZYRRMXPDIT-RTBURBONSA-N 0 0 450.501 4.553 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001449713815 1067022803 /nfs/dbraw/zinc/02/28/03/1067022803.db2.gz VCHJZYRRMXPDIT-MOPGFXCFSA-N 0 0 450.501 4.553 20 30 JJEDRN C[C@@H](c1ccccn1)N(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(N(C)C)cc1 ZINC001458311302 1067026776 /nfs/dbraw/zinc/02/67/76/1067026776.db2.gz WLDMLZYSWKLSSC-PZJWPPBQSA-N 0 0 457.553 4.779 20 30 JJEDRN CC[C@H](Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC001546017387 1067030136 /nfs/dbraw/zinc/03/01/36/1067030136.db2.gz TYLPHNCGPOWXFZ-IEBWSBKVSA-N 0 0 498.538 4.640 20 30 JJEDRN Cc1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)nn1-c1ccc(Cl)cc1Cl ZINC001458338772 1067034539 /nfs/dbraw/zinc/03/45/39/1067034539.db2.gz DDUQZXBKTMROBT-OAHLLOKOSA-N 0 0 458.324 4.963 20 30 JJEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001449894715 1067034775 /nfs/dbraw/zinc/03/47/75/1067034775.db2.gz FCRGPMIASFNBKI-YADHBBJMSA-N 0 0 456.608 4.557 20 30 JJEDRN CC[C@@H](c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCSC(C)C)c1ccccc1 ZINC001545756881 1067034839 /nfs/dbraw/zinc/03/48/39/1067034839.db2.gz POVPTXGVURDBNE-HSZRJFAPSA-N 0 0 475.666 4.555 20 30 JJEDRN N#Cc1cc(N2CCC[C@H](Nc3cccc(Br)c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001458356929 1067041314 /nfs/dbraw/zinc/04/13/14/1067041314.db2.gz VTGSBOXUNBTVJE-KRWDZBQOSA-N 0 0 452.312 4.858 20 30 JJEDRN COc1ccc(-c2nc(Sc3nc(C(F)(F)F)ccc3C#N)n[nH]2)cc1Br ZINC001458366881 1067043076 /nfs/dbraw/zinc/04/30/76/1067043076.db2.gz WPMXKFONGVBCSE-UHFFFAOYSA-N 0 0 456.247 4.679 20 30 JJEDRN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001458402234 1067053093 /nfs/dbraw/zinc/05/30/93/1067053093.db2.gz CAXNMOHRZHSGIL-CQSZACIVSA-N 0 0 453.289 4.988 20 30 JJEDRN C[C@H]1CN(C(=O)Cn2nc(C(F)F)cc2C(F)F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450158619 1067056022 /nfs/dbraw/zinc/05/60/22/1067056022.db2.gz XSDCDBGKDNFSLV-ZUZCIYMTSA-N 0 0 453.358 4.766 20 30 JJEDRN CSc1ncc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)n1-c1ccc(F)cc1 ZINC001458437448 1067060105 /nfs/dbraw/zinc/06/01/05/1067060105.db2.gz BZHMCHZEGZYBIJ-MRXNPFEDSA-N 0 0 450.417 4.627 20 30 JJEDRN Cc1cc(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC001546100695 1067060954 /nfs/dbraw/zinc/06/09/54/1067060954.db2.gz GUMBLQKJTOSTIM-SANMLTNESA-N 0 0 450.583 4.733 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2nc(C)no2)CC1)SC ZINC001545772673 1067061398 /nfs/dbraw/zinc/06/13/98/1067061398.db2.gz IAMJMNGCNSBVFG-UHFFFAOYSA-N 0 0 465.627 4.814 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)SC ZINC001545772789 1067061958 /nfs/dbraw/zinc/06/19/58/1067061958.db2.gz MEKSULTVRWVXAT-OAQYLSRUSA-N 0 0 483.682 4.760 20 30 JJEDRN COc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 ZINC001458450241 1067064727 /nfs/dbraw/zinc/06/47/27/1067064727.db2.gz UTGZIOWCFKZQJL-GOSISDBHSA-N 0 0 456.365 4.813 20 30 JJEDRN N#C[C@@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1cccc(Br)c1 ZINC001458451697 1067065609 /nfs/dbraw/zinc/06/56/09/1067065609.db2.gz YNGHJZOADLEWOH-MRXNPFEDSA-N 0 0 456.731 4.555 20 30 JJEDRN N#CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1 ZINC001450266515 1067066591 /nfs/dbraw/zinc/06/65/91/1067066591.db2.gz FQYLGXSEEOHOAY-QFIPXVFZSA-N 0 0 451.523 4.791 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCOCC1)NC(=O)OC(C)(C)C ZINC001545775630 1067069112 /nfs/dbraw/zinc/06/91/12/1067069112.db2.gz FJXXLGRAOAXXQI-UHFFFAOYSA-N 0 0 496.656 4.763 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C ZINC001545779411 1067074267 /nfs/dbraw/zinc/07/42/67/1067074267.db2.gz NLYAVEVXGOGSAM-DEOSSOPVSA-N 0 0 467.618 4.554 20 30 JJEDRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC(C#N)CC1)SC ZINC001545781184 1067077190 /nfs/dbraw/zinc/07/71/90/1067077190.db2.gz VURXPIHBNBVFFV-UHFFFAOYSA-N 0 0 493.681 4.898 20 30 JJEDRN Cc1cc(N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)n2c3ccccc3nc2c1C#N ZINC001458542947 1067085326 /nfs/dbraw/zinc/08/53/26/1067085326.db2.gz QFCDVUUGIBHRIZ-KRWDZBQOSA-N 0 0 455.345 4.851 20 30 JJEDRN CCC(CC)(Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC#N)CC1)SC ZINC001545789266 1067085367 /nfs/dbraw/zinc/08/53/67/1067085367.db2.gz ATAOYSAUTLRCDB-UHFFFAOYSA-N 0 0 451.644 4.568 20 30 JJEDRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N[C@]3(C#N)CC3(C)C)cc2)c1C ZINC001450541312 1067088500 /nfs/dbraw/zinc/08/85/00/1067088500.db2.gz MWEOSUXZRNDLDR-VWLOTQADSA-N 0 0 453.608 4.824 20 30 JJEDRN CCC(CC)(Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C#N)C1)SC ZINC001545792446 1067090222 /nfs/dbraw/zinc/09/02/22/1067090222.db2.gz AHPUGTOHUSKJOT-HXUWFJFHSA-N 0 0 471.671 4.940 20 30 JJEDRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1)OC ZINC001545792605 1067090569 /nfs/dbraw/zinc/09/05/69/1067090569.db2.gz GNYVNBWQYWEHRL-VWLOTQADSA-N 0 0 489.668 4.676 20 30 JJEDRN CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(C1)CCOCC2)SC ZINC001545792791 1067090839 /nfs/dbraw/zinc/09/08/39/1067090839.db2.gz MRFCOMILRPGYCR-UHFFFAOYSA-N 0 0 469.655 4.657 20 30 JJEDRN N#C[C@H](NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001458616346 1067096311 /nfs/dbraw/zinc/09/63/11/1067096311.db2.gz BYIMBAULYVVDCQ-NRFANRHFSA-N 0 0 459.354 4.962 20 30 JJEDRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001458619726 1067096777 /nfs/dbraw/zinc/09/67/77/1067096777.db2.gz GQPKLYKIPORKHJ-IFMALSPDSA-N 0 0 451.567 4.940 20 30 JJEDRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001458619804 1067096955 /nfs/dbraw/zinc/09/69/55/1067096955.db2.gz GQPKLYKIPORKHJ-RBBKRZOGSA-N 0 0 451.567 4.940 20 30 JJEDRN N#C[C@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 ZINC001458627583 1067098063 /nfs/dbraw/zinc/09/80/63/1067098063.db2.gz PWCYJQGHZIJULZ-ROUUACIJSA-N 0 0 453.848 4.658 20 30 JJEDRN CCOc1c(Br)cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1OC ZINC001458627629 1067098313 /nfs/dbraw/zinc/09/83/13/1067098313.db2.gz RANLQZUVMMIKRM-OAHLLOKOSA-N 0 0 457.246 4.870 20 30 JJEDRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001450670740 1067101495 /nfs/dbraw/zinc/10/14/95/1067101495.db2.gz KIAQSDJGPOWMIE-HSZRJFAPSA-N 0 0 456.502 4.731 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1)OC ZINC001545799073 1067103723 /nfs/dbraw/zinc/10/37/23/1067103723.db2.gz WMZTWAWLUWOCRS-RUZDIDTESA-N 0 0 492.668 4.639 20 30 JJEDRN CCC(CC)[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC ZINC001545800519 1067107462 /nfs/dbraw/zinc/10/74/62/1067107462.db2.gz HWWRVCHLXZCQIL-GVAUOCQISA-N 0 0 481.641 4.811 20 30 JJEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(Cl)cc2Nc2ccc(F)cc2)cc1 ZINC001450751770 1067116329 /nfs/dbraw/zinc/11/63/29/1067116329.db2.gz YVPLLZKOEKSFSQ-UHFFFAOYSA-N 0 0 457.914 4.648 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001458738808 1067127518 /nfs/dbraw/zinc/12/75/18/1067127518.db2.gz YEDXMTOPBUCTRL-LISAXSMJSA-N 0 0 459.681 4.944 20 30 JJEDRN COC(=O)c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)c1C#N ZINC001458738412 1067127583 /nfs/dbraw/zinc/12/75/83/1067127583.db2.gz XENKSOMTCCHAPP-UHFFFAOYSA-N 0 0 455.543 4.897 20 30 JJEDRN C=C[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)C(=O)OC ZINC001458743765 1067129494 /nfs/dbraw/zinc/12/94/94/1067129494.db2.gz BKQJCUXHPMHGMX-GOSISDBHSA-N 0 0 458.381 4.770 20 30 JJEDRN C=CCNC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1 ZINC001458749452 1067131087 /nfs/dbraw/zinc/13/10/87/1067131087.db2.gz OSZFAJDJECNNPK-UHFFFAOYSA-N 0 0 455.628 4.852 20 30 JJEDRN C=C(CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1cc(C)cc(C)c1)C(=O)OCC ZINC001458776242 1067141117 /nfs/dbraw/zinc/14/11/17/1067141117.db2.gz OCAXOMOJEQTBGZ-HYARGMPZSA-N 0 0 450.560 4.908 20 30 JJEDRN C=CCn1c(S[C@H](C(=O)OC)c2cccc(C(=O)OC)c2)nnc1-c1ccc(Cl)cc1 ZINC001458783317 1067145319 /nfs/dbraw/zinc/14/53/19/1067145319.db2.gz VSFUUEPGEYBWIY-SFHVURJKSA-N 0 0 457.939 4.578 20 30 JJEDRN O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001458813030 1067152607 /nfs/dbraw/zinc/15/26/07/1067152607.db2.gz DBAQCGIKQWZCAX-AAEUAGOBSA-N 0 0 457.321 4.801 20 30 JJEDRN O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001458813049 1067152614 /nfs/dbraw/zinc/15/26/14/1067152614.db2.gz DBAQCGIKQWZCAX-YPMHNXCESA-N 0 0 457.321 4.801 20 30 JJEDRN C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001451330633 1067160236 /nfs/dbraw/zinc/16/02/36/1067160236.db2.gz QZACMXAYJXKEHK-HSZRJFAPSA-N 0 0 452.551 4.852 20 30 JJEDRN CCOc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2=O)cc1 ZINC001458845926 1067169887 /nfs/dbraw/zinc/16/98/87/1067169887.db2.gz BNFZLGGEDYXFCD-CYFREDJKSA-N 0 0 453.542 4.854 20 30 JJEDRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)on1 ZINC001545825321 1067172132 /nfs/dbraw/zinc/17/21/32/1067172132.db2.gz ZHFWYXHARMWGOW-UHFFFAOYSA-N 0 0 479.604 4.754 20 30 JJEDRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001458851748 1067172530 /nfs/dbraw/zinc/17/25/30/1067172530.db2.gz NFPUKPHGQKOUFX-XRHLQHRESA-N 0 0 450.542 4.631 20 30 JJEDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001458851682 1067172603 /nfs/dbraw/zinc/17/26/03/1067172603.db2.gz NFPUKPHGQKOUFX-CLYVBNDRSA-N 0 0 450.542 4.631 20 30 JJEDRN C#Cc1cccc(CNC(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001451443509 1067172646 /nfs/dbraw/zinc/17/26/46/1067172646.db2.gz SYBWCHICCUTALA-LJAQVGFWSA-N 0 0 452.554 4.992 20 30 JJEDRN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC(=O)N2C)cc1 ZINC001458853093 1067173790 /nfs/dbraw/zinc/17/37/90/1067173790.db2.gz QXMGSBOPNZWENN-YJIIWGRFSA-N 0 0 453.542 4.631 20 30 JJEDRN C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O ZINC001458871430 1067180759 /nfs/dbraw/zinc/18/07/59/1067180759.db2.gz HQUPMRMEMGSJHP-GOSISDBHSA-N 0 0 453.123 4.595 20 30 JJEDRN Cc1ccc(Nc2nnc(SCC#CCN3C(=O)c4ccccc4C3=O)s2)cc1Cl ZINC001458874463 1067182113 /nfs/dbraw/zinc/18/21/13/1067182113.db2.gz AEEMOBQFFHXLIJ-UHFFFAOYSA-N 0 0 454.964 4.635 20 30 JJEDRN CC(C)c1ccc(-c2nc(CC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cs2)cc1 ZINC001458878503 1067183776 /nfs/dbraw/zinc/18/37/76/1067183776.db2.gz FMHLOOAGBRBETM-HSZRJFAPSA-N 0 0 458.587 4.659 20 30 JJEDRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)ccc2C)c1 ZINC001451655726 1067183797 /nfs/dbraw/zinc/18/37/97/1067183797.db2.gz UMGDEMMDFQCXRJ-DEOSSOPVSA-N 0 0 459.571 4.783 20 30 JJEDRN COc1ccc([C@H](C)SCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)cc1 ZINC001458922709 1067198412 /nfs/dbraw/zinc/19/84/12/1067198412.db2.gz QHOGYJHBIKAVMP-PXNSSMCTSA-N 0 0 453.608 4.859 20 30 JJEDRN Cc1nc(CN2CCC(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)CC2)cs1 ZINC001451967622 1067201250 /nfs/dbraw/zinc/20/12/50/1067201250.db2.gz DIMKYRGKQDPBMN-OAHLLOKOSA-N 0 0 450.530 4.623 20 30 JJEDRN CCOCn1nc(C)c(C[C@@H](C)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c1C ZINC001451978550 1067201729 /nfs/dbraw/zinc/20/17/29/1067201729.db2.gz YBACNGCSHGDPNJ-CVEARBPZSA-N 0 0 450.505 4.632 20 30 JJEDRN COc1cc(N)c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cc1Br ZINC001451972132 1067201785 /nfs/dbraw/zinc/20/17/85/1067201785.db2.gz KOFZBEJYAVWKIX-NSHDSACASA-N 0 0 456.262 4.613 20 30 JJEDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)COc2cccc(Br)c2C#N)c1C ZINC001458950114 1067205730 /nfs/dbraw/zinc/20/57/30/1067205730.db2.gz YUCAVNGDDDVMMO-UHFFFAOYSA-N 0 0 459.731 4.794 20 30 JJEDRN Cc1cccc(N(CCC#N)C(=O)COc2ccccc2NC(=O)COc2ccccc2)c1C ZINC001458959758 1067208906 /nfs/dbraw/zinc/20/89/06/1067208906.db2.gz BEENMCYZPNAGKJ-UHFFFAOYSA-N 0 0 457.530 4.647 20 30 JJEDRN COc1ccc([C@H](C#N)N2CCN(C(=O)CSc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC001458967483 1067212572 /nfs/dbraw/zinc/21/25/72/1067212572.db2.gz FMHSFRQJUFAKGQ-FQEVSTJZSA-N 0 0 450.391 4.503 20 30 JJEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)csc2C(=O)OC)nnc1-c1ccccc1C ZINC001458981778 1067217635 /nfs/dbraw/zinc/21/76/35/1067217635.db2.gz OQOKBTNGGLOVCL-HNNXBMFYSA-N 0 0 456.593 4.715 20 30 JJEDRN CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001546037740 1067219788 /nfs/dbraw/zinc/21/97/88/1067219788.db2.gz OSJFMGSPGFPILA-OAQYLSRUSA-N 0 0 451.935 4.556 20 30 JJEDRN C=CCN(C(=O)c1ccc(Cl)cc1Br)[C@H](Cc1ccccc1)C(=O)OCC ZINC001458996594 1067224284 /nfs/dbraw/zinc/22/42/84/1067224284.db2.gz JIKHIXPMTAJFIW-LJQANCHMSA-N 0 0 450.760 4.905 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC001452502656 1067229594 /nfs/dbraw/zinc/22/95/94/1067229594.db2.gz VBGDOCVMWQTEKV-QFIPXVFZSA-N 0 0 452.396 4.870 20 30 JJEDRN C=CCOc1ccccc1CN(C(=O)CN(C#N)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC001459081440 1067247799 /nfs/dbraw/zinc/24/77/99/1067247799.db2.gz UETWUISURPAFBF-UHFFFAOYSA-N 0 0 459.477 4.640 20 30 JJEDRN COC(=O)C(C(=O)CSc1ccc(Br)c(Cl)c1)=C1Nc2ccccc2N1 ZINC001459091166 1067249163 /nfs/dbraw/zinc/24/91/63/1067249163.db2.gz XBMRCHNIAVNULR-UHFFFAOYSA-N 0 0 453.745 4.686 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cn3cc(Br)ncc3n2)cc1 ZINC001459119257 1067254582 /nfs/dbraw/zinc/25/45/82/1067254582.db2.gz OGUAJMHKZKRADJ-UHFFFAOYSA-N 0 0 452.243 4.547 20 30 JJEDRN C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCc2ccc(Cl)cc21 ZINC001452825379 1067256126 /nfs/dbraw/zinc/25/61/26/1067256126.db2.gz YNXLLZNYLWXEOZ-FGLFFKEMSA-N 0 0 458.002 4.615 20 30 JJEDRN N#CCc1ccc(OC[C@@H](O)CSc2nccc(-c3ccc(Br)cc3)n2)cc1 ZINC001459166770 1067265093 /nfs/dbraw/zinc/26/50/93/1067265093.db2.gz PCFHXFAVZAHQAS-GOSISDBHSA-N 0 0 456.365 4.504 20 30 JJEDRN N#CCc1ccc(OC[C@H](O)CSc2nccc(-c3ccc(Br)cc3)n2)cc1 ZINC001459166772 1067265166 /nfs/dbraw/zinc/26/51/66/1067265166.db2.gz PCFHXFAVZAHQAS-SFHVURJKSA-N 0 0 456.365 4.504 20 30 JJEDRN CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001452948995 1067266703 /nfs/dbraw/zinc/26/67/03/1067266703.db2.gz WBEVKQVJMKJNRM-QFIPXVFZSA-N 0 0 458.905 4.734 20 30 JJEDRN C=CC[C@H]1CCCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(OCC)cc2)C1 ZINC001452995998 1067272043 /nfs/dbraw/zinc/27/20/43/1067272043.db2.gz AKJCZSHZBSNVTA-SFHVURJKSA-N 0 0 452.580 4.833 20 30 JJEDRN C=CC[C@H]1CCCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC001452997936 1067272804 /nfs/dbraw/zinc/27/28/04/1067272804.db2.gz HXJVFWYAKQLUAU-NRFANRHFSA-N 0 0 454.636 4.891 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001452997818 1067272818 /nfs/dbraw/zinc/27/28/18/1067272818.db2.gz GWQPOZJOWZBBGH-LJQANCHMSA-N 0 0 456.414 4.892 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@H](C)CC#N)O1 ZINC001546047648 1067278232 /nfs/dbraw/zinc/27/82/32/1067278232.db2.gz BKIPDHBGTNJLLN-IUSZMWJPSA-N 0 0 464.383 4.933 20 30 JJEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001459268754 1067280448 /nfs/dbraw/zinc/28/04/48/1067280448.db2.gz DELVBCODIYFXFY-CYBMUJFWSA-N 0 0 456.915 4.540 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)O1 ZINC001546047994 1067284190 /nfs/dbraw/zinc/28/41/90/1067284190.db2.gz GVASQLFXZBKOKS-HUVFLSCGSA-N 0 0 491.558 4.694 20 30 JJEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001459316676 1067292155 /nfs/dbraw/zinc/29/21/55/1067292155.db2.gz ZUJQTUFBJUYQBA-MRXNPFEDSA-N 0 0 457.546 4.892 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C(=O)OCC)c2cccc(C)c2C)s1 ZINC001459319266 1067293517 /nfs/dbraw/zinc/29/35/17/1067293517.db2.gz QZJJMAJIMGNZBN-LJQANCHMSA-N 0 0 453.029 4.876 20 30 JJEDRN CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)Cc2ccccc21 ZINC001453291754 1067295012 /nfs/dbraw/zinc/29/50/12/1067295012.db2.gz SJHUNKRNYUAAMI-QFIPXVFZSA-N 0 0 458.514 4.812 20 30 JJEDRN N#Cc1ccc(Br)c(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1 ZINC001459344070 1067298742 /nfs/dbraw/zinc/29/87/42/1067298742.db2.gz FQTVIKGQKJUORI-UHFFFAOYSA-N 0 0 453.167 4.586 20 30 JJEDRN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001453534879 1067311632 /nfs/dbraw/zinc/31/16/32/1067311632.db2.gz APJIVFJCRDUSKH-IKGGRYGDSA-N 0 0 451.530 4.509 20 30 JJEDRN COc1ncc(Br)cc1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001453548545 1067313702 /nfs/dbraw/zinc/31/37/02/1067313702.db2.gz JVPATRQGLDUONL-UHFFFAOYSA-N 0 0 456.271 4.586 20 30 JJEDRN C=CCn1c(SCC(=O)N2CC[C@H](OC)C[C@H]2C)nnc1-c1ccc(Cl)cc1Cl ZINC001459411199 1067316113 /nfs/dbraw/zinc/31/61/13/1067316113.db2.gz XTUYRWKDFSKJJM-HIFRSBDPSA-N 0 0 455.411 4.556 20 30 JJEDRN C=CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cc(Br)ccc1F ZINC001459411948 1067316854 /nfs/dbraw/zinc/31/68/54/1067316854.db2.gz BAXMYISSVHFRBO-UHFFFAOYSA-N 0 0 456.699 4.777 20 30 JJEDRN COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001459413770 1067317060 /nfs/dbraw/zinc/31/70/60/1067317060.db2.gz FJJDUQNMXZOWQS-IZZNHLLZSA-N 0 0 459.977 4.833 20 30 JJEDRN C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC001459511298 1067341519 /nfs/dbraw/zinc/34/15/19/1067341519.db2.gz KKGIGHJVHVOBTL-IBGZPJMESA-N 0 0 453.258 4.562 20 30 JJEDRN C[C@@H](NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC001459566574 1067353687 /nfs/dbraw/zinc/35/36/87/1067353687.db2.gz XUQPFFCDAIOSAR-MRVPVSSYSA-N 0 0 452.355 4.997 20 30 JJEDRN CCNC(=O)Nc1ccc(C)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC001459566604 1067353719 /nfs/dbraw/zinc/35/37/19/1067353719.db2.gz XZGBQOROTFQABA-UHFFFAOYSA-N 0 0 453.974 4.907 20 30 JJEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)CC(C)(C)CNC(=O)OC(C)(C)C)c1C#N ZINC001459626562 1067367252 /nfs/dbraw/zinc/36/72/52/1067367252.db2.gz AEDHRXQRDAHJFJ-UHFFFAOYSA-N 0 0 459.635 4.513 20 30 JJEDRN Cc1cc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc(Cl)c1Br ZINC001459633277 1067369008 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458.562 4.668 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4F)nc3)CC2=O)cc1Cl ZINC001459697750 1067387238 /nfs/dbraw/zinc/38/72/38/1067387238.db2.gz ZIZPIPIWVLGPBX-OAHLLOKOSA-N 0 0 450.857 4.530 20 30 JJEDRN N#Cc1cc(Cl)ncc1NC(=O)CCCCCc1ccc(I)cc1 ZINC001459712689 1067392220 /nfs/dbraw/zinc/39/22/20/1067392220.db2.gz PNNGDTPQQSIZDM-UHFFFAOYSA-N 0 0 453.711 4.953 20 30 JJEDRN C#Cc1cccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)Cc2cccs2)c1 ZINC001459720959 1067395495 /nfs/dbraw/zinc/39/54/95/1067395495.db2.gz BGNZBBJLUBKYIK-UHFFFAOYSA-N 0 0 450.585 4.712 20 30 JJEDRN N#CCCn1ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1-c1ccccc1 ZINC001459727002 1067397143 /nfs/dbraw/zinc/39/71/43/1067397143.db2.gz CYKFOMHXLNXOAG-SFHVURJKSA-N 0 0 454.361 4.779 20 30 JJEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001459782028 1067419055 /nfs/dbraw/zinc/41/90/55/1067419055.db2.gz VUFFBLVTDUDCCG-QGZVFWFLSA-N 0 0 455.990 4.926 20 30 JJEDRN C#Cc1cccc(N(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)Cc2ccccc2)c1 ZINC001459790518 1067423915 /nfs/dbraw/zinc/42/39/15/1067423915.db2.gz FMCMOYHFTADSHL-UHFFFAOYSA-N 0 0 455.514 4.951 20 30 JJEDRN Cc1ccc(S(=O)(=O)NC[C@@H](NCC#Cc2ccccc2Cl)c2ccccc2)c(C)c1 ZINC001459847167 1067452419 /nfs/dbraw/zinc/45/24/19/1067452419.db2.gz BEYJCBNHLCXMOF-XMMPIXPASA-N 0 0 453.007 4.618 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(F)c(N3CCOCC3)cc2F)s1 ZINC001459895854 1067477729 /nfs/dbraw/zinc/47/77/29/1067477729.db2.gz TUPHZCTWTJFGMN-UHFFFAOYSA-N 0 0 459.971 4.592 20 30 JJEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(CCOc2ccc(F)c(Cl)c2)CC1 ZINC001459896248 1067478235 /nfs/dbraw/zinc/47/82/35/1067478235.db2.gz MLWOFUHOBPEMSD-HXUWFJFHSA-N 0 0 452.755 4.503 20 30 JJEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC001459898108 1067478588 /nfs/dbraw/zinc/47/85/88/1067478588.db2.gz XAGYUSHBOCHUSR-LJQANCHMSA-N 0 0 454.290 4.556 20 30 JJEDRN CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nccs2)C1 ZINC001546112592 1067480762 /nfs/dbraw/zinc/48/07/62/1067480762.db2.gz XIFDAUGYGRQRJQ-UHFFFAOYSA-N 0 0 450.612 4.835 20 30 JJEDRN COc1ccccc1O[C@H]1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC001459909009 1067484664 /nfs/dbraw/zinc/48/46/64/1067484664.db2.gz GJLUZQPGTMTDGH-QFIPXVFZSA-N 0 0 458.562 4.773 20 30 JJEDRN CNC(=O)c1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1Br ZINC001459912874 1067487338 /nfs/dbraw/zinc/48/73/38/1067487338.db2.gz ASFYCVQMNYXJID-UHFFFAOYSA-N 0 0 450.292 4.725 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)c1ccc(I)cc1 ZINC001459978734 1067513995 /nfs/dbraw/zinc/51/39/95/1067513995.db2.gz BSXIALSUVBWYQN-MRXNPFEDSA-N 0 0 451.352 4.777 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC001459979883 1067514434 /nfs/dbraw/zinc/51/44/34/1067514434.db2.gz IIEQFRABQFJCST-UHFFFAOYSA-N 0 0 458.562 4.598 20 30 JJEDRN Cc1nc([C@H]2CCCN2CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)cs1 ZINC001459979977 1067514453 /nfs/dbraw/zinc/51/44/53/1067514453.db2.gz LLQHLGCWWNNIHK-JOCHJYFZSA-N 0 0 451.571 4.705 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001459999917 1067521597 /nfs/dbraw/zinc/52/15/97/1067521597.db2.gz VZZZLKSZPLXBOV-ROUUACIJSA-N 0 0 455.477 4.740 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC001460006629 1067524313 /nfs/dbraw/zinc/52/43/13/1067524313.db2.gz QOTKHYWGKPTQAQ-UHFFFAOYSA-N 0 0 452.324 4.679 20 30 JJEDRN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001460045420 1067537842 /nfs/dbraw/zinc/53/78/42/1067537842.db2.gz DMLYMQAJXURGPP-PMACEKPBSA-N 0 0 452.769 4.743 20 30 JJEDRN COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001460045429 1067537932 /nfs/dbraw/zinc/53/79/32/1067537932.db2.gz DMLYMQAJXURGPP-WOJBJXKFSA-N 0 0 452.769 4.743 20 30 JJEDRN CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)N2CC(C)(C#N)C2)sc2c1CC[C@@H](C)C2 ZINC001460044971 1067537992 /nfs/dbraw/zinc/53/79/92/1067537992.db2.gz YXQLGUYROJDHCN-IERDGZPVSA-N 0 0 451.592 4.575 20 30 JJEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1C#N ZINC001460158684 1067567168 /nfs/dbraw/zinc/56/71/68/1067567168.db2.gz RLOLDERLBBTPCQ-JOCHJYFZSA-N 0 0 454.537 4.852 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)N(c3ccc(Br)cc3)C3CC3)CC2=O)cc1Cl ZINC001460183957 1067573785 /nfs/dbraw/zinc/57/37/85/1067573785.db2.gz WDXABOXHQKEQPY-CQSZACIVSA-N 0 0 458.743 4.523 20 30 JJEDRN C=CCN(C(=O)CN1CCC[C@H](CO)[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226322 1067583854 /nfs/dbraw/zinc/58/38/54/1067583854.db2.gz JFNGONWWQTZRBW-GDBMZVCRSA-N 0 0 454.423 4.729 20 30 JJEDRN C=CCn1c(SCC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)nnc1-c1ccc(Cl)cc1 ZINC001460307828 1067604318 /nfs/dbraw/zinc/60/43/18/1067604318.db2.gz MLBYSEGVJIRCDK-FQEVSTJZSA-N 0 0 453.999 4.881 20 30 JJEDRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)CSCc3ccc(C#N)cc3)ccc21 ZINC001460422928 1067632232 /nfs/dbraw/zinc/63/22/32/1067632232.db2.gz BRGSNUUFOYAZQD-UHFFFAOYSA-N 0 0 451.592 4.796 20 30 JJEDRN C[C@@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460449148 1067636686 /nfs/dbraw/zinc/63/66/86/1067636686.db2.gz BHCDKKYKWNLQON-YXKFXFPPSA-N 0 0 463.525 4.740 20 30 JJEDRN C[C@H](N[C@@H](CO)c1cccc(Cl)c1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460468202 1067639574 /nfs/dbraw/zinc/63/95/74/1067639574.db2.gz CEZUQMWLXRXNNG-SJCJKPOMSA-N 0 0 452.407 4.846 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)F)ccc1Cl ZINC001460563012 1067656357 /nfs/dbraw/zinc/65/63/57/1067656357.db2.gz YJUKENJWPXYYAC-CQSZACIVSA-N 0 0 459.370 4.853 20 30 JJEDRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC001460600934 1067667049 /nfs/dbraw/zinc/66/70/49/1067667049.db2.gz SEYPKQYTOVBHSG-UHFFFAOYSA-N 0 0 454.324 4.573 20 30 JJEDRN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001460647499 1067685283 /nfs/dbraw/zinc/68/52/83/1067685283.db2.gz MNPXMYIXUOROEY-INIZCTEOSA-N 0 0 450.901 4.889 20 30 JJEDRN C=C(CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)c1ccccc1 ZINC001460679439 1067699133 /nfs/dbraw/zinc/69/91/33/1067699133.db2.gz FGBCOTFMPTUIAO-UHFFFAOYSA-N 0 0 454.979 4.604 20 30 JJEDRN C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl ZINC001460783233 1067723001 /nfs/dbraw/zinc/72/30/01/1067723001.db2.gz COVMRGPFYTUYSY-OAHLLOKOSA-N 0 0 453.391 4.740 20 30 JJEDRN C#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)c1ccc(Br)cc1 ZINC001460786291 1067723372 /nfs/dbraw/zinc/72/33/72/1067723372.db2.gz OZGOBCCLSMDJPQ-HXUWFJFHSA-N 0 0 456.340 4.698 20 30 JJEDRN C#C[C@H](NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC001460795754 1067724903 /nfs/dbraw/zinc/72/49/03/1067724903.db2.gz WDUSYWGZSWYVGO-NRFANRHFSA-N 0 0 455.988 4.999 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)NCc3cccc(Br)c3Cl)CC2)c(F)c1 ZINC001460925687 1067749462 /nfs/dbraw/zinc/74/94/62/1067749462.db2.gz DIEZTPNSLFKQRU-UHFFFAOYSA-N 0 0 450.739 4.646 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)Nc3ccc(Oc4ccnc(Cl)n4)cc3)CC2)c(F)c1 ZINC001460980283 1067756372 /nfs/dbraw/zinc/75/63/72/1067756372.db2.gz NFQLXIXQUBIZFU-UHFFFAOYSA-N 0 0 451.889 4.788 20 30 JJEDRN Cc1c(I)cccc1C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 ZINC001460991859 1067758897 /nfs/dbraw/zinc/75/88/97/1067758897.db2.gz AQSRVDSHQKTGOF-UHFFFAOYSA-N 0 0 453.283 4.713 20 30 JJEDRN C[C@H](C(=O)Nc1cccc(C#N)c1Br)c1ccc(I)cc1 ZINC001461027714 1067764740 /nfs/dbraw/zinc/76/47/40/1067764740.db2.gz ZCGJUHMVJQYVIM-JTQLQIEISA-N 0 0 455.093 4.668 20 30 JJEDRN COc1cc(CCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cc(OC)c1OC ZINC001461064080 1067773926 /nfs/dbraw/zinc/77/39/26/1067773926.db2.gz FDLZWBZXALUZKR-HNNXBMFYSA-N 0 0 450.457 4.605 20 30 JJEDRN N#Cc1cc(Br)c(OC(=O)CCc2ccc3c(c2)CCO3)c(Br)c1 ZINC001461152018 1067789806 /nfs/dbraw/zinc/78/98/06/1067789806.db2.gz VLKWNHDRPJEJFT-UHFFFAOYSA-N 0 0 451.114 4.556 20 30 JJEDRN N#Cc1cc(NCc2ccc(Br)cc2C(F)(F)F)ccc1N1CCC(O)CC1 ZINC001461259139 1067812330 /nfs/dbraw/zinc/81/23/30/1067812330.db2.gz JYNCFEDNLFUONT-UHFFFAOYSA-N 0 0 454.290 4.913 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc3ccccc3n2CC#N)C1 ZINC001461475767 1067868504 /nfs/dbraw/zinc/86/85/04/1067868504.db2.gz ITMCIKCYAFCWPA-FGZHOGPDSA-N 0 0 476.552 4.827 20 30 JJEDRN C=CCOc1c(Cl)cc(CNc2cccc(S(=O)(=O)NC(C)(C)C)c2C)cc1OC ZINC001461489010 1067873405 /nfs/dbraw/zinc/87/34/05/1067873405.db2.gz BJYYCRBQONMEEY-UHFFFAOYSA-N 0 0 453.004 4.911 20 30 JJEDRN C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)CCCC1 ZINC001461526477 1067881338 /nfs/dbraw/zinc/88/13/38/1067881338.db2.gz FYKXBGMLVKKFDT-UHFFFAOYSA-N 0 0 456.608 4.777 20 30 JJEDRN C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001461532994 1067882745 /nfs/dbraw/zinc/88/27/45/1067882745.db2.gz XSDUZIQZKBDTGC-DNVCBOLYSA-N 0 0 459.439 4.645 20 30 JJEDRN Cc1oc(-c2cccs2)nc1CNc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC001461554146 1067887078 /nfs/dbraw/zinc/88/70/78/1067887078.db2.gz OGGGCIDZDIGRKV-DAFNUICNSA-N 0 0 458.609 4.917 20 30 JJEDRN C=CC[C@]1(C(=O)N2CCc3sc(Br)cc3C2)CCCN1C(=O)OC(C)(C)C ZINC001461600426 1067898997 /nfs/dbraw/zinc/89/89/97/1067898997.db2.gz KXWZWZIQMLJOIC-HXUWFJFHSA-N 0 0 455.418 4.741 20 30 JJEDRN CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@@H](C#N)C2)CCC1 ZINC001546126379 1067920931 /nfs/dbraw/zinc/92/09/31/1067920931.db2.gz VVNXSSLNOQMLRQ-ICSRJNTNSA-N 0 0 458.006 4.997 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N[C@H](C#N)c2ccccc2Br)C1 ZINC001461742304 1067928921 /nfs/dbraw/zinc/92/89/21/1067928921.db2.gz JLANILRXPCYIDX-MAUKXSAKSA-N 0 0 450.377 4.557 20 30 JJEDRN COc1ccc(CCC(=O)N[C@@H](C#N)c2ccccc2Br)cc1Br ZINC001461745926 1067929413 /nfs/dbraw/zinc/92/94/13/1067929413.db2.gz ZHGZWUUYORZMQK-INIZCTEOSA-N 0 0 452.146 4.534 20 30 JJEDRN N#Cc1cc(F)c(OC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)c(Br)c1 ZINC001461776688 1067935251 /nfs/dbraw/zinc/93/52/51/1067935251.db2.gz OYISDGNYHCKXGV-UHFFFAOYSA-N 0 0 456.227 4.794 20 30 JJEDRN Fc1cccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1I ZINC001461881666 1067953756 /nfs/dbraw/zinc/95/37/56/1067953756.db2.gz BEBDLKUSRPRIJL-UWVGGRQHSA-N 0 0 455.155 4.993 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001462230060 1068033765 /nfs/dbraw/zinc/03/37/65/1068033765.db2.gz ROGAIPJOKLKYMH-AUSIDOKSSA-N 0 0 451.970 4.990 20 30 JJEDRN COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1C#N ZINC001462313789 1068049583 /nfs/dbraw/zinc/04/95/83/1068049583.db2.gz MGNHTWSWTIRVRV-UHFFFAOYSA-N 0 0 450.292 4.834 20 30 JJEDRN C[C@@H](C#N)N(Cc1ncc(I)s1)Cc1cccc(C(F)(F)F)c1 ZINC001462363483 1068060467 /nfs/dbraw/zinc/06/04/67/1068060467.db2.gz IMRQRKMONUBDJF-JTQLQIEISA-N 0 0 451.255 4.681 20 30 JJEDRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)s2)cc1 ZINC001462375853 1068062413 /nfs/dbraw/zinc/06/24/13/1068062413.db2.gz ZFRJWDQIYGLEIE-IBGZPJMESA-N 0 0 459.449 4.914 20 30 JJEDRN CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cc(Cl)ccn2)CCOCC1 ZINC001546131298 1068065725 /nfs/dbraw/zinc/06/57/25/1068065725.db2.gz VYYFCXRATXSRGY-UHFFFAOYSA-N 0 0 450.974 4.708 20 30 JJEDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC(F)(F)c1ccc(F)cc1F ZINC001462619820 1068113737 /nfs/dbraw/zinc/11/37/37/1068113737.db2.gz NWCSAXDBJBXRBN-UHFFFAOYSA-N 0 0 456.339 4.892 20 30 JJEDRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)O1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001462667364 1068127799 /nfs/dbraw/zinc/12/77/99/1068127799.db2.gz JYPJPSOQOBJGCG-JMCQJSRRSA-N 0 0 452.164 4.837 20 30 JJEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC001462713138 1068140032 /nfs/dbraw/zinc/14/00/32/1068140032.db2.gz FCWGQZXYQPVJKV-UHFFFAOYSA-N 0 0 459.333 4.688 20 30 JJEDRN CCOC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)c(F)cc1Cl ZINC001462713917 1068140043 /nfs/dbraw/zinc/14/00/43/1068140043.db2.gz GEUFRSZOYCTSGU-UHFFFAOYSA-N 0 0 459.882 4.962 20 30 JJEDRN CCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462757149 1068157749 /nfs/dbraw/zinc/15/77/49/1068157749.db2.gz LJFHZVOAUFJPRG-GOSISDBHSA-N 0 0 453.514 4.961 20 30 JJEDRN N#CCCc1ccc(S(=O)(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC001462775448 1068164284 /nfs/dbraw/zinc/16/42/84/1068164284.db2.gz MNCLNAYHJXXDCZ-UHFFFAOYSA-N 0 0 456.571 4.533 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC001462790580 1068167894 /nfs/dbraw/zinc/16/78/94/1068167894.db2.gz BWANFGTVDPZFHF-YZZKKUAISA-N 0 0 459.011 4.887 20 30 JJEDRN N#CCc1ccccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC001462877915 1068200271 /nfs/dbraw/zinc/20/02/71/1068200271.db2.gz YPCRWYIRAWKWPY-NRFANRHFSA-N 0 0 459.340 4.722 20 30 JJEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC001462945913 1068223952 /nfs/dbraw/zinc/22/39/52/1068223952.db2.gz DDFNPMZNUPGEOR-UHFFFAOYSA-N 0 0 459.287 4.716 20 30 JJEDRN C=CCn1cc2ccc(NC(=O)[C@@H](C)SCc3nc4sc(C)c(C)c4c(=O)[nH]3)cc2n1 ZINC001462996981 1068243845 /nfs/dbraw/zinc/24/38/45/1068243845.db2.gz HIFPUDJPBZOMHV-CQSZACIVSA-N 0 0 453.593 4.810 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001463086250 1068282467 /nfs/dbraw/zinc/28/24/67/1068282467.db2.gz DLXUJRQZPJASOQ-JOCHJYFZSA-N 0 0 456.373 4.876 20 30 JJEDRN C[C@@]1(C#N)CN(C(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)CCO1 ZINC001463086240 1068282535 /nfs/dbraw/zinc/28/25/35/1068282535.db2.gz DLNLKIABTVFTKV-HSZRJFAPSA-N 0 0 452.352 4.671 20 30 JJEDRN O=S(=O)(C[C@@H]1CCC[C@H](C(F)(F)F)O1)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001463113035 1068291609 /nfs/dbraw/zinc/29/16/09/1068291609.db2.gz VSVDWIWEAIHKIF-BFHYXJOUSA-N 0 0 454.816 4.660 20 30 JJEDRN Cn1cc(CCC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001463149543 1068303938 /nfs/dbraw/zinc/30/39/38/1068303938.db2.gz OANYBBKMPQWQPU-KBPBESRZSA-N 0 0 454.361 4.740 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)c(C(F)(F)F)c1 ZINC001463228322 1068327670 /nfs/dbraw/zinc/32/76/70/1068327670.db2.gz CSEQATMXDKVYAO-UHFFFAOYSA-N 0 0 455.417 4.955 20 30 JJEDRN C=CC[S@](=O)(=NC(=O)c1ccc(Cn2cc(Br)cn2)s1)c1ccccc1 ZINC001463278979 1068342727 /nfs/dbraw/zinc/34/27/27/1068342727.db2.gz YLXBOQVFQIZESF-AREMUKBSSA-N 0 0 450.383 4.609 20 30 JJEDRN Cn1ccnc1[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(F)c(F)c1 ZINC001463286026 1068344635 /nfs/dbraw/zinc/34/46/35/1068344635.db2.gz HYZGAMMLMCSFRE-DEOSSOPVSA-N 0 0 458.468 4.668 20 30 JJEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001463382274 1068378683 /nfs/dbraw/zinc/37/86/83/1068378683.db2.gz VAGWQAGSMBCDRV-QGZVFWFLSA-N 0 0 457.905 4.937 20 30 JJEDRN C[C@@]1(C#N)CCCN(S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)C1 ZINC001463401674 1068385375 /nfs/dbraw/zinc/38/53/75/1068385375.db2.gz SPVKLODKTUSGES-IBGZPJMESA-N 0 0 453.333 4.695 20 30 JJEDRN C=CCc1cc(C(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc(OC)c1OC ZINC001463409240 1068387684 /nfs/dbraw/zinc/38/76/84/1068387684.db2.gz GVIVYBPYJZUDET-AREMUKBSSA-N 0 0 458.599 4.828 20 30 JJEDRN C=CCOc1ccc(CC(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)OC(C)(C)C)cc1 ZINC001463422480 1068392130 /nfs/dbraw/zinc/39/21/30/1068392130.db2.gz IVPUWSIYPRCUTA-UHFFFAOYSA-N 0 0 453.564 4.850 20 30 JJEDRN CCCCc1nc(-c2cccc(OS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)c2)no1 ZINC001463462894 1068407681 /nfs/dbraw/zinc/40/76/81/1068407681.db2.gz USCZOYYXCNWOOD-UHFFFAOYSA-N 0 0 451.426 4.737 20 30 JJEDRN N#Cc1ccc(OS(=O)(=O)c2cc(Br)cc(Br)c2)cc1Cl ZINC001463553776 1068439451 /nfs/dbraw/zinc/43/94/51/1068439451.db2.gz MTVKLYQLDCEAKZ-UHFFFAOYSA-N 0 0 451.523 4.504 20 30 JJEDRN N#Cc1cccc2[nH]cc(C(=O)Nc3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c21 ZINC001463625643 1068472129 /nfs/dbraw/zinc/47/21/29/1068472129.db2.gz KYXGLMQIFSBJPA-UHFFFAOYSA-N 0 0 450.907 4.746 20 30 JJEDRN O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463627047 1068472928 /nfs/dbraw/zinc/47/29/28/1068472928.db2.gz SOONDOLBSBIMBZ-JLHYYAGUSA-N 0 0 458.898 4.501 20 30 JJEDRN C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC001463631507 1068475610 /nfs/dbraw/zinc/47/56/10/1068475610.db2.gz GXETUQYZKYVQRK-UXHICEINSA-N 0 0 454.571 4.611 20 30 JJEDRN Cc1ccc(Oc2ccc(OCC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cc2)cc1 ZINC001463792775 1068525839 /nfs/dbraw/zinc/52/58/39/1068525839.db2.gz DVUQAPVRTJZHNU-AREMUKBSSA-N 0 0 459.521 4.714 20 30 JJEDRN C=CCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC001463883086 1068555207 /nfs/dbraw/zinc/55/52/07/1068555207.db2.gz FSWZJSXCHWNUIC-UHFFFAOYSA-N 0 0 450.560 4.715 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)s1 ZINC001463934299 1068569721 /nfs/dbraw/zinc/56/97/21/1068569721.db2.gz FYSIXCILMCBNPI-SNVBAGLBSA-N 0 0 453.305 4.632 20 30 JJEDRN CCN(CCc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001463936603 1068570433 /nfs/dbraw/zinc/57/04/33/1068570433.db2.gz UNUXJLDEJYCFJM-UHFFFAOYSA-N 0 0 459.383 4.996 20 30 JJEDRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cc2C1 ZINC001464011654 1068588120 /nfs/dbraw/zinc/58/81/20/1068588120.db2.gz HLLZXGJGDFKGDW-LJQANCHMSA-N 0 0 456.340 4.694 20 30 JJEDRN Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)c1 ZINC001464013354 1068588593 /nfs/dbraw/zinc/58/85/93/1068588593.db2.gz GDHRPBYILUOIRH-UHFFFAOYSA-N 0 0 457.505 4.786 20 30 JJEDRN CCCCc1ccc(N2C[C@H](C(=O)N[C@@H](C#N)c3ccc(Br)cc3)CC2=O)cc1 ZINC001464016788 1068589967 /nfs/dbraw/zinc/58/99/67/1068589967.db2.gz KUGGMRRLNKOGEF-NQIIRXRSSA-N 0 0 454.368 4.526 20 30 JJEDRN N#C[C@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Br)cc1 ZINC001464017899 1068590577 /nfs/dbraw/zinc/59/05/77/1068590577.db2.gz NISNYLYPSGAVRZ-QAPCUYQASA-N 0 0 455.381 4.656 20 30 JJEDRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1=O ZINC001464019768 1068591135 /nfs/dbraw/zinc/59/11/35/1068591135.db2.gz RXHIZYAUHJHEPF-KNBMTAEXSA-N 0 0 454.368 4.697 20 30 JJEDRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC001464035413 1068595166 /nfs/dbraw/zinc/59/51/66/1068595166.db2.gz SEOPOSVDSISBFR-OAQYLSRUSA-N 0 0 452.498 4.578 20 30 JJEDRN O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001464090512 1068611615 /nfs/dbraw/zinc/61/16/15/1068611615.db2.gz FMUCKQRINHXZLW-GJKBLCTNSA-N 0 0 474.396 4.923 20 30 JJEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)CCCc1ccc2ccccc2c1 ZINC001464104212 1068616829 /nfs/dbraw/zinc/61/68/29/1068616829.db2.gz YMFMGTZRHKDWRV-UHFFFAOYSA-N 0 0 455.537 4.690 20 30 JJEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)c(O)c2)cc1 ZINC001464139072 1068631007 /nfs/dbraw/zinc/63/10/07/1068631007.db2.gz VTESCCARYMWRED-GOSISDBHSA-N 0 0 454.267 4.905 20 30 JJEDRN C#Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)cn1 ZINC001464209495 1068658744 /nfs/dbraw/zinc/65/87/44/1068658744.db2.gz YPVRWKDEIWSICR-NRFANRHFSA-N 0 0 456.398 4.961 20 30 JJEDRN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC001464229352 1068666416 /nfs/dbraw/zinc/66/64/16/1068666416.db2.gz IJTOOQNYIOQMEY-CYBMUJFWSA-N 0 0 454.733 4.747 20 30 JJEDRN C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC001464296790 1068695648 /nfs/dbraw/zinc/69/56/48/1068695648.db2.gz QYLJHOWFTWKYQQ-GFCCVEGCSA-N 0 0 452.502 4.504 20 30 JJEDRN 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N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)cc1 ZINC001164881222 721359949 /nfs/dbraw/zinc/35/99/49/721359949.db2.gz AAUASAMJALCSML-RTBURBONSA-N 0 0 471.920 4.659 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)cc1 ZINC001164881220 721360165 /nfs/dbraw/zinc/36/01/65/721360165.db2.gz AAUASAMJALCSML-OALUTQOASA-N 0 0 471.920 4.659 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2ccc(C#N)c(Cl)n2)CCO3)cs1 ZINC001164782627 721442926 /nfs/dbraw/zinc/44/29/26/721442926.db2.gz KMZXOZFXLWONSH-JXFKEZNVSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2ccnc(Cl)c2C#N)CCO3)cs1 ZINC001164780503 721443194 /nfs/dbraw/zinc/44/31/94/721443194.db2.gz BXUPLWWWDZROTN-YWZLYKJASA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2nc(Cl)ccc2C#N)CCO3)cs1 ZINC001164784714 721443962 /nfs/dbraw/zinc/44/39/62/721443962.db2.gz QIVWQLBAEJIWSR-JXFKEZNVSA-N 0 0 468.957 4.509 20 30 JJEDRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001165011802 721721786 /nfs/dbraw/zinc/72/17/86/721721786.db2.gz VEYKDHNDROTATE-UHFFFAOYSA-N 0 0 494.377 4.800 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164913118 721740798 /nfs/dbraw/zinc/74/07/98/721740798.db2.gz TUTRPUNMTDQGCG-HYBUGGRVSA-N 0 0 479.918 4.574 20 30 JJEDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)C2 ZINC001164910063 721755143 /nfs/dbraw/zinc/75/51/43/721755143.db2.gz KJSSHEBVWSDGEB-UHFFFAOYSA-N 0 0 488.954 4.990 20 30 JJEDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164910757 721761966 /nfs/dbraw/zinc/76/19/66/721761966.db2.gz KUKGIXLXAKMZBI-UHFFFAOYSA-N 0 0 479.584 4.909 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)cnc2Cl)cc1 ZINC001164921342 721841332 /nfs/dbraw/zinc/84/13/32/721841332.db2.gz NWFICMQPZCNLJT-SQJMNOBHSA-N 0 0 496.945 4.883 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)cnc2Cl)cc1 ZINC001164921333 721841432 /nfs/dbraw/zinc/84/14/32/721841432.db2.gz NWFICMQPZCNLJT-BWKNWUBXSA-N 0 0 496.945 4.883 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)cnc2Cl)c1 ZINC001164920372 721841452 /nfs/dbraw/zinc/84/14/52/721841452.db2.gz JBICEZQNNPDIOA-PXDATVDWSA-N 0 0 496.945 4.883 20 30 JJEDRN N#Cc1ccc(C(F)(F)N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)nc1Cl ZINC001164927002 721899379 /nfs/dbraw/zinc/89/93/79/721899379.db2.gz FCYBWGZEWRNFAA-UHFFFAOYSA-N 0 0 468.935 4.709 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C[C@H]21 ZINC001164942499 721964593 /nfs/dbraw/zinc/96/45/93/721964593.db2.gz CGVYIAHQPKJEIM-PKTZIBPZSA-N 0 0 499.949 4.513 20 30 JJEDRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]21 ZINC001164952504 722003217 /nfs/dbraw/zinc/00/32/17/722003217.db2.gz MYLBIFMCMFQLHE-HIFRSBDPSA-N 0 0 460.315 4.982 20 30 JJEDRN 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COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCc3c(C)cc(C)cc32)cc1[N+](=O)[O-] ZINC001359831334 1064514775 /nfs/dbraw/zinc/51/47/75/1064514775.db2.gz CIQRNGHGTLONTD-UHFFFAOYSA-N 0 0 459.506 4.590 20 30 JJEDRN N#Cc1cc(C(=O)NCCc2cccc(OCCCc3ccccc3)c2)cnc1C(F)(F)F ZINC001435111986 1064521040 /nfs/dbraw/zinc/52/10/40/1064521040.db2.gz WVGLCGRDRHUMSG-UHFFFAOYSA-N 0 0 453.464 4.956 20 30 JJEDRN Cn1cc(C(=O)Nc2cccc(OC(=O)c3ccc(Sc4ccccc4C#N)cc3)c2)cn1 ZINC001359839791 1064526454 /nfs/dbraw/zinc/52/64/54/1064526454.db2.gz OSYSIFUWJBBVIZ-UHFFFAOYSA-N 0 0 454.511 4.914 20 30 JJEDRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1cccc(OCC#N)c1 ZINC001435130002 1064534994 /nfs/dbraw/zinc/53/49/94/1064534994.db2.gz HKTNNAZABPDMKH-UHFFFAOYSA-N 0 0 457.914 4.934 20 30 JJEDRN CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCCOC(C)C ZINC001359850519 1064536731 /nfs/dbraw/zinc/53/67/31/1064536731.db2.gz WMQUBHVHDVKTIK-UHFFFAOYSA-N 0 0 459.038 4.533 20 30 JJEDRN CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H](c1ccc(Cl)cc1)c1cccnc1 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0 0 491.558 4.553 20 30 JJEDRN Cc1csc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1I ZINC001438755090 1065750008 /nfs/dbraw/zinc/75/00/08/1065750008.db2.gz KDUQPVTUNSKADS-ZDUSSCGKSA-N 0 0 450.223 4.566 20 30 JJEDRN C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cl)=C(Cl)C1)c1cccs1 ZINC001360726225 1065752916 /nfs/dbraw/zinc/75/29/16/1065752916.db2.gz AQLRIVFTJJMWOI-NRFANRHFSA-N 0 0 460.390 4.685 20 30 JJEDRN C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cl)=C(Cl)C1)c1cccs1 ZINC001360726233 1065753009 /nfs/dbraw/zinc/75/30/09/1065753009.db2.gz AQLRIVFTJJMWOI-OAQYLSRUSA-N 0 0 460.390 4.685 20 30 JJEDRN N#CCc1cccc(NC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)n1 ZINC001438839922 1065757233 /nfs/dbraw/zinc/75/72/33/1065757233.db2.gz JFVGCGAQTQASIN-UHFFFAOYSA-N 0 0 450.161 4.539 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CF)C2)c1 ZINC001438882549 1065761561 /nfs/dbraw/zinc/76/15/61/1065761561.db2.gz MARBSUQJOSTHNQ-KRWDZBQOSA-N 0 0 450.963 4.543 20 30 JJEDRN COc1cc2c(cc1OC)[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCCC2 ZINC001438888141 1065763458 /nfs/dbraw/zinc/76/34/58/1065763458.db2.gz IUBNNVDRCCLVIZ-WOJBJXKFSA-N 0 0 459.587 4.565 20 30 JJEDRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccc(C#N)o1 ZINC001360744247 1065781220 /nfs/dbraw/zinc/78/12/20/1065781220.db2.gz QDCZXWIPHMNQIB-KRWDZBQOSA-N 0 0 467.545 4.854 20 30 JJEDRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001360745726 1065785793 /nfs/dbraw/zinc/78/57/93/1065785793.db2.gz OYCZXEVQAFNUNJ-UPCLLVRISA-N 0 0 486.498 4.732 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N(C)C1CCCCC1 ZINC001360749761 1065793123 /nfs/dbraw/zinc/79/31/23/1065793123.db2.gz IGFHCDZVUGOMEL-QZTJIDSGSA-N 0 0 473.021 4.601 20 30 JJEDRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccc(C#N)o1 ZINC001360753739 1065800449 /nfs/dbraw/zinc/80/04/49/1065800449.db2.gz IBAICYRXMQZXLO-AWEZNQCLSA-N 0 0 486.363 4.608 20 30 JJEDRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@](C)(O)c1ccco1 ZINC001360755890 1065811547 /nfs/dbraw/zinc/81/15/47/1065811547.db2.gz KVLGZSJAEVHYIG-XDHUDOTRSA-N 0 0 469.973 4.702 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)c2)nc1 ZINC001360757170 1065818001 /nfs/dbraw/zinc/81/80/01/1065818001.db2.gz QOZVLQSOMBIQOG-UHFFFAOYSA-N 0 0 455.923 4.592 20 30 JJEDRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCCCC1 ZINC001360757476 1065818695 /nfs/dbraw/zinc/81/86/95/1065818695.db2.gz BYAPPSXGFQVDDM-SFHVURJKSA-N 0 0 458.006 4.897 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)/C=C/Cl)c1 ZINC001439399983 1065824323 /nfs/dbraw/zinc/82/43/23/1065824323.db2.gz PTZRTWKLHHJMOO-OUKQBFOZSA-N 0 0 453.391 4.982 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N=[S@](C)(=O)c2cccc(Br)c2)cc1OC ZINC001439437691 1065828860 /nfs/dbraw/zinc/82/88/60/1065828860.db2.gz PUOHVKIDJUUOTG-YLYQOIPRSA-N 0 0 450.354 4.719 20 30 JJEDRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1Cc1ccc(C#N)o1 ZINC001360760336 1065831909 /nfs/dbraw/zinc/83/19/09/1065831909.db2.gz KJMJBOQDVRERLD-HZPDHXFCSA-N 0 0 455.946 4.588 20 30 JJEDRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1Cc1ccc(C#N)o1 ZINC001360760334 1065832008 /nfs/dbraw/zinc/83/20/08/1065832008.db2.gz KJMJBOQDVRERLD-CVEARBPZSA-N 0 0 455.946 4.588 20 30 JJEDRN CC1(C)CCc2sc(NC(=O)c3cc(F)c(F)cc3I)c(C#N)c21 ZINC001439532693 1065838932 /nfs/dbraw/zinc/83/89/32/1065838932.db2.gz GNDPTWZEJGXITP-UHFFFAOYSA-N 0 0 458.271 4.979 20 30 JJEDRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)C2(C#N)CCCCC2)c2ccccc21 ZINC001439584976 1065843860 /nfs/dbraw/zinc/84/38/60/1065843860.db2.gz LNQROFLUNIJWRS-PMACEKPBSA-N 0 0 453.583 4.617 20 30 JJEDRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)c2ccccc21 ZINC001439584983 1065844511 /nfs/dbraw/zinc/84/45/11/1065844511.db2.gz LNQROFLUNIJWRS-UXHICEINSA-N 0 0 453.583 4.617 20 30 JJEDRN COc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)ccc1OCc1cscn1 ZINC001360766274 1065852658 /nfs/dbraw/zinc/85/26/58/1065852658.db2.gz MTWVEXRVIFCEPA-UHFFFAOYSA-N 0 0 459.531 4.657 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1C ZINC001360766493 1065853476 /nfs/dbraw/zinc/85/34/76/1065853476.db2.gz UWSJYVQKJGCKFT-QHCPKHFHSA-N 0 0 459.550 4.640 20 30 JJEDRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2cc(C#N)cs2)c(OC)c1 ZINC001439707321 1065862467 /nfs/dbraw/zinc/86/24/67/1065862467.db2.gz JJBZVZNSYLCMHZ-UHFFFAOYSA-N 0 0 458.543 4.762 20 30 JJEDRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360769741 1065863180 /nfs/dbraw/zinc/86/31/80/1065863180.db2.gz MYHYNURLXMFZIF-SFHVURJKSA-N 0 0 486.592 4.554 20 30 JJEDRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001439711596 1065863823 /nfs/dbraw/zinc/86/38/23/1065863823.db2.gz UBNMRHPRRSKQGX-JDFHOKRYSA-N 0 0 458.624 4.537 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001439715468 1065863935 /nfs/dbraw/zinc/86/39/35/1065863935.db2.gz DPURHDUARZEFEI-UHFFFAOYSA-N 0 0 451.570 4.950 20 30 JJEDRN O=C(CSc1ccc(F)c(F)c1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439787369 1065876379 /nfs/dbraw/zinc/87/63/79/1065876379.db2.gz GYVQUNLKWXXUME-RKDXNWHRSA-N 0 0 455.317 4.686 20 30 JJEDRN O=C(N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)c1c(F)cccc1F ZINC001439787527 1065876888 /nfs/dbraw/zinc/87/68/88/1065876888.db2.gz IOPSJWHQCCHFNM-RNFRBKRXSA-N 0 0 459.230 4.686 20 30 JJEDRN CC1(C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc2O1 ZINC001439787908 1065876961 /nfs/dbraw/zinc/87/69/61/1065876961.db2.gz JHXHAIXTYISHKQ-RWMBFGLXSA-N 0 0 457.361 4.961 20 30 JJEDRN CC(C)(C)Cc1ncc(C(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)s1 ZINC001439791821 1065878045 /nfs/dbraw/zinc/87/80/45/1065878045.db2.gz AQUPTMOADJMNRL-DTORHVGOSA-N 0 0 450.395 4.975 20 30 JJEDRN O=C(c1ccc(OC(F)F)cc1F)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439793714 1065878577 /nfs/dbraw/zinc/87/85/77/1065878577.db2.gz QUXYYLZANKRGEQ-RKDXNWHRSA-N 0 0 457.239 4.670 20 30 JJEDRN N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC001360775934 1065879932 /nfs/dbraw/zinc/87/99/32/1065879932.db2.gz DZIFOKBYEKQPQI-QHCPKHFHSA-N 0 0 459.933 4.716 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(Cl)s2)C1 ZINC001360780756 1065890245 /nfs/dbraw/zinc/89/02/45/1065890245.db2.gz KWWDZQFKWDTPTP-QFIPXVFZSA-N 0 0 489.432 4.755 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(-c3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001360783225 1065894548 /nfs/dbraw/zinc/89/45/48/1065894548.db2.gz FVNCVRSKIMPVDI-RXFWQSSRSA-N 0 0 464.614 4.722 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2Br)C1 ZINC001360783173 1065894655 /nfs/dbraw/zinc/89/46/55/1065894655.db2.gz DROMMLQJFRHHHG-OAQYLSRUSA-N 0 0 467.396 4.819 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360783418 1065895337 /nfs/dbraw/zinc/89/53/37/1065895337.db2.gz JJGSUGZJYLHXSV-MHECFPHRSA-N 0 0 486.020 4.523 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001360783419 1065895376 /nfs/dbraw/zinc/89/53/76/1065895376.db2.gz JJGSUGZJYLHXSV-UUOWRZLLSA-N 0 0 486.020 4.523 20 30 JJEDRN CC(C)(C)c1nccc(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@](C)(C#N)C2)n1 ZINC001360783257 1065895416 /nfs/dbraw/zinc/89/54/16/1065895416.db2.gz GMDQEAKEDUHIBN-VWLOTQADSA-N 0 0 479.032 4.844 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC=CO2)C1 ZINC001360783388 1065895433 /nfs/dbraw/zinc/89/54/33/1065895433.db2.gz IWTIWRHTVPPEGA-HRAATJIYSA-N 0 0 460.351 4.669 20 30 JJEDRN CC(C)(C)OC(=O)N1CC(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001360783502 1065895619 /nfs/dbraw/zinc/89/56/19/1065895619.db2.gz LLXLQBJFGADHJJ-DEOSSOPVSA-N 0 0 471.005 4.595 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C/C=C\c2ccccc2)C1 ZINC001360783482 1065895793 /nfs/dbraw/zinc/89/57/93/1065895793.db2.gz LESKVBKVOAHLMP-AEZSJILPSA-N 0 0 451.372 4.879 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCCNc2ccccn2)C1 ZINC001360783761 1065896605 /nfs/dbraw/zinc/89/66/05/1065896605.db2.gz RISJFGOADWAMOC-QHCPKHFHSA-N 0 0 498.404 4.874 20 30 JJEDRN CC1(C)CCO[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360783849 1065897276 /nfs/dbraw/zinc/89/72/76/1065897276.db2.gz SOSHADLAYDUDRA-XMSQKQJNSA-N 0 0 476.394 4.792 20 30 JJEDRN CC(C)(C)c1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCCCC2=O)cc1 ZINC001360784092 1065897887 /nfs/dbraw/zinc/89/78/87/1065897887.db2.gz YHARVVUKBNGDOA-HHHXNRCGSA-N 0 0 462.642 4.775 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001360784658 1065898713 /nfs/dbraw/zinc/89/87/13/1065898713.db2.gz IYSISVRAEVSROS-AVRDEDQJSA-N 0 0 480.966 4.537 20 30 JJEDRN CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360784981 1065899199 /nfs/dbraw/zinc/89/91/99/1065899199.db2.gz NGIIKBOCMBCVSF-VAPDBKPJSA-N 0 0 453.606 4.979 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C ZINC001360787713 1065900572 /nfs/dbraw/zinc/90/05/72/1065900572.db2.gz AYRYFJCFYSTHFL-LJQANCHMSA-N 0 0 458.651 4.885 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001360787840 1065900990 /nfs/dbraw/zinc/90/09/90/1065900990.db2.gz FAZATOKZUVPCLD-AMGIVPHBSA-N 0 0 478.641 4.593 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCOc2ccccc2)C1 ZINC001360787719 1065901126 /nfs/dbraw/zinc/90/11/26/1065901126.db2.gz BADTVIKODLLTIK-PBDKAQRYSA-N 0 0 494.640 4.648 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1OC ZINC001440000906 1065901283 /nfs/dbraw/zinc/90/12/83/1065901283.db2.gz NCTVLGLIGXOWFM-FLIBITNWSA-N 0 0 450.922 4.775 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](CCn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001360787866 1065901586 /nfs/dbraw/zinc/90/15/86/1065901586.db2.gz FNTVUTKUUKZGID-QFQXNSOFSA-N 0 0 470.662 4.788 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CC=CCO2)C1 ZINC001360787863 1065901618 /nfs/dbraw/zinc/90/16/18/1065901618.db2.gz FNABHMJPBYWVHH-VGSWGCGISA-N 0 0 462.381 4.639 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2cccn2)C1 ZINC001360788046 1065902084 /nfs/dbraw/zinc/90/20/84/1065902084.db2.gz JYLJANNHEJXPEP-QFIPXVFZSA-N 0 0 474.396 4.581 20 30 JJEDRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360788357 1065902547 /nfs/dbraw/zinc/90/25/47/1065902547.db2.gz QWMLQLMGWNAIHL-SOIKWTOOSA-N 0 0 482.576 4.850 20 30 JJEDRN CC(C)(C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001360788473 1065902588 /nfs/dbraw/zinc/90/25/88/1065902588.db2.gz UTGCWVXLGQKYAH-MHZLTWQESA-N 0 0 480.657 4.589 20 30 JJEDRN CC(C)(C)Oc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)cn1 ZINC001360788400 1065902664 /nfs/dbraw/zinc/90/26/64/1065902664.db2.gz SCOJQBMHQJNSCQ-AREMUKBSSA-N 0 0 478.572 4.747 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)C1 ZINC001360788243 1065902720 /nfs/dbraw/zinc/90/27/20/1065902720.db2.gz OLZJZNBQFCCTLB-QFIPXVFZSA-N 0 0 452.971 4.622 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2CCCCO2)CC1 ZINC001360788842 1065903173 /nfs/dbraw/zinc/90/31/73/1065903173.db2.gz GWHKQDHODWDLLD-IBGZPJMESA-N 0 0 458.404 4.797 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001360788790 1065903262 /nfs/dbraw/zinc/90/32/62/1065903262.db2.gz FGAGNLRXETXHMG-WBVHZDCISA-N 0 0 476.394 4.528 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@H]2C[C@H](F)C2)C1 ZINC001360791099 1065905427 /nfs/dbraw/zinc/90/54/27/1065905427.db2.gz PNJAYUVODOSZEQ-UFYCRDLUSA-N 0 0 474.625 4.661 20 30 JJEDRN CC(C)(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001360790917 1065905537 /nfs/dbraw/zinc/90/55/37/1065905537.db2.gz KSLVQEJQZZCPGU-OFNKIYASSA-N 0 0 453.606 4.979 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](CCn2c(CC3CCCC3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360791519 1065905840 /nfs/dbraw/zinc/90/58/40/1065905840.db2.gz ZMIAZIBHTVNPEE-OAQYLSRUSA-N 0 0 470.662 4.788 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCC[C@@H]1CCCCO1 ZINC001360792474 1065906939 /nfs/dbraw/zinc/90/69/39/1065906939.db2.gz RGFHJJPYPOTIHW-SFTDATJTSA-N 0 0 486.661 4.829 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cc(F)ccc1F ZINC001360792413 1065907040 /nfs/dbraw/zinc/90/70/40/1065907040.db2.gz POGCOVAOPFGJGA-FQEVSTJZSA-N 0 0 486.567 4.807 20 30 JJEDRN C[C@@](O)(Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C)(C#N)CC1)c1ccco1 ZINC001360792709 1065907689 /nfs/dbraw/zinc/90/76/89/1065907689.db2.gz ZJYHWXOBOANLIQ-HSZRJFAPSA-N 0 0 490.391 4.795 20 30 JJEDRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)c1 ZINC001360794761 1065909212 /nfs/dbraw/zinc/90/92/12/1065909212.db2.gz YSQWIDRUVOWDKY-UHFFFAOYSA-N 0 0 459.483 4.661 20 30 JJEDRN COC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)c1ccc(C(C)(C)C)cc1 ZINC001360796038 1065909532 /nfs/dbraw/zinc/90/95/32/1065909532.db2.gz OPFMMZQKXGHHPU-HXUWFJFHSA-N 0 0 457.368 4.581 20 30 JJEDRN CC1(C)CC(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001360801770 1065912823 /nfs/dbraw/zinc/91/28/23/1065912823.db2.gz NNUNOLUPCOLVJJ-FQEVSTJZSA-N 0 0 450.331 4.725 20 30 JJEDRN O=C(N[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cc(F)c(C(F)(F)F)cc1F ZINC001440296134 1065928418 /nfs/dbraw/zinc/92/84/18/1065928418.db2.gz LFNSFEPXCYHLAL-GOSISDBHSA-N 0 0 452.345 4.920 20 30 JJEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc(Cl)c1I ZINC001440403216 1065938526 /nfs/dbraw/zinc/93/85/26/1065938526.db2.gz DYNPDYPBOGADOW-UHFFFAOYSA-N 0 0 453.132 4.883 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C1CC(C(C)(C)C)C1 ZINC001545933100 1065951829 /nfs/dbraw/zinc/95/18/29/1065951829.db2.gz YWSOPZKNPNJLBY-SDVLMSEASA-N 0 0 478.641 4.643 20 30 JJEDRN Cc1sc(C)c(Cn2c(-c3ccccn3)nnc2N2CCC(C)(C#N)CC2)c1Br ZINC001360848766 1065957844 /nfs/dbraw/zinc/95/78/44/1065957844.db2.gz DLCACLLKLQSAFX-UHFFFAOYSA-N 0 0 471.428 4.959 20 30 JJEDRN C[C@@]12CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)Br)C[C@@H]1C2(Cl)Cl ZINC001360849024 1065958740 /nfs/dbraw/zinc/95/87/40/1065958740.db2.gz LVLAQPIXQMNNJQ-XJKSGUPXSA-N 0 0 491.167 4.825 20 30 JJEDRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001440679238 1065964373 /nfs/dbraw/zinc/96/43/73/1065964373.db2.gz BEJSHSPIPIVXDX-RUZDIDTESA-N 0 0 458.537 4.596 20 30 JJEDRN CCCCOc1c(Cl)cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OCC ZINC001440681750 1065965507 /nfs/dbraw/zinc/96/55/07/1065965507.db2.gz NODYAIMKRQDSON-QFIPXVFZSA-N 0 0 455.986 4.940 20 30 JJEDRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001440683674 1065965870 /nfs/dbraw/zinc/96/58/70/1065965870.db2.gz LZRUGSAUWJHNAW-FQEVSTJZSA-N 0 0 455.345 4.980 20 30 JJEDRN CCc1ccccc1O[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC001440686517 1065966739 /nfs/dbraw/zinc/96/67/39/1065966739.db2.gz SRDDUQRUXZUNHC-AHKZPQOWSA-N 0 0 457.549 4.917 20 30 JJEDRN CCc1ccccc1O[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC001440686519 1065966993 /nfs/dbraw/zinc/96/69/93/1065966993.db2.gz SRDDUQRUXZUNHC-BDYUSTAISA-N 0 0 457.549 4.917 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC001440688426 1065967326 /nfs/dbraw/zinc/96/73/26/1065967326.db2.gz ZICAGECFLLQGAW-RUZDIDTESA-N 0 0 454.505 4.821 20 30 JJEDRN Cc1ccoc1C(=O)NCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 ZINC001360862122 1065979931 /nfs/dbraw/zinc/97/99/31/1065979931.db2.gz GHYXYEQCBYSVRU-UHFFFAOYSA-N 0 0 499.040 4.685 20 30 JJEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2cc3sc(Br)cc3s2)CC1 ZINC001440809654 1065980487 /nfs/dbraw/zinc/98/04/87/1065980487.db2.gz JVZQAQZPVSAMLX-UHFFFAOYSA-N 0 0 450.358 4.698 20 30 JJEDRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC001440867158 1065985433 /nfs/dbraw/zinc/98/54/33/1065985433.db2.gz NUWYKSIAGURZIG-IFXJQAMLSA-N 0 0 450.295 4.770 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)c2)c1 ZINC001440872055 1065987115 /nfs/dbraw/zinc/98/71/15/1065987115.db2.gz UWPKJDKMHYFAFB-SANMLTNESA-N 0 0 456.517 4.615 20 30 JJEDRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1C ZINC001360866111 1065987421 /nfs/dbraw/zinc/98/74/21/1065987421.db2.gz NBTBCTWPEJHWQI-HBFSDRIKSA-N 0 0 470.618 4.687 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360866630 1065989288 /nfs/dbraw/zinc/98/92/88/1065989288.db2.gz WPQVCVDWWHTTCB-AZUAARDMSA-N 0 0 470.618 4.688 20 30 JJEDRN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)cc1 ZINC001440892508 1065991041 /nfs/dbraw/zinc/99/10/41/1065991041.db2.gz LTNKYGAMLLCBBD-NRFANRHFSA-N 0 0 450.539 4.607 20 30 JJEDRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC001441045074 1066003118 /nfs/dbraw/zinc/00/31/18/1066003118.db2.gz DGZOZNFZTAEHOY-CYBMUJFWSA-N 0 0 451.346 4.556 20 30 JJEDRN COc1ccc(-c2ncc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)s2)cc1OC ZINC001441055528 1066004646 /nfs/dbraw/zinc/00/46/46/1066004646.db2.gz GHSNXFJKRWZHOT-OAHLLOKOSA-N 0 0 458.337 4.584 20 30 JJEDRN CC(C)Oc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)ccc1Br ZINC001441059705 1066004865 /nfs/dbraw/zinc/00/48/65/1066004865.db2.gz SJOCUHWIVIGHMD-MRXNPFEDSA-N 0 0 452.146 4.993 20 30 JJEDRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ncccc2N(C)C)c1C ZINC001360872868 1066007131 /nfs/dbraw/zinc/00/71/31/1066007131.db2.gz AGMLJMIBGNCEGX-KDYSTLNUSA-N 0 0 473.625 4.674 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2CCCCO2)c1C ZINC001360873496 1066009205 /nfs/dbraw/zinc/00/92/05/1066009205.db2.gz HWYFNWDFKIGZFX-CZSZKKDXSA-N 0 0 455.578 4.826 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cc(C(C)(C)C)no2)c1C ZINC001360873936 1066011379 /nfs/dbraw/zinc/01/13/79/1066011379.db2.gz LNEPDLAJFHCSQL-CJAUYULYSA-N 0 0 466.561 4.811 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001441284460 1066022680 /nfs/dbraw/zinc/02/26/80/1066022680.db2.gz HISJTOJHZOITRN-WMZOPIPTSA-N 0 0 454.995 4.943 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2C1 ZINC001441322075 1066027911 /nfs/dbraw/zinc/02/79/11/1066027911.db2.gz AIFRXCYFVFFEGZ-HXUWFJFHSA-N 0 0 457.534 4.611 20 30 JJEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cc1 ZINC001441324900 1066028233 /nfs/dbraw/zinc/02/82/33/1066028233.db2.gz FGDDJBHRMUDJGJ-SFHVURJKSA-N 0 0 451.280 4.847 20 30 JJEDRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC001441340382 1066030562 /nfs/dbraw/zinc/03/05/62/1066030562.db2.gz STADYXVHRQDFGT-TZIWHRDSSA-N 0 0 455.942 4.570 20 30 JJEDRN CC1=C(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001360884968 1066039634 /nfs/dbraw/zinc/03/96/34/1066039634.db2.gz NGFHTVAMZRUDIU-QFIPXVFZSA-N 0 0 464.614 4.913 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N(c2cccc(F)c2)C2CCOCC2)nnc1-c1ccco1 ZINC001360891965 1066043693 /nfs/dbraw/zinc/04/36/93/1066043693.db2.gz WSTJUEOPQLFAGY-UHFFFAOYSA-N 0 0 456.543 4.558 20 30 JJEDRN N#Cc1c2ccccc2[nH]c1C(=O)NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC001441504167 1066046981 /nfs/dbraw/zinc/04/69/81/1066046981.db2.gz HVUSZHIQDPSRJE-UHFFFAOYSA-N 0 0 452.514 4.767 20 30 JJEDRN Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C(C)C)C2)sc1C ZINC001360898495 1066051428 /nfs/dbraw/zinc/05/14/28/1066051428.db2.gz SVUUYJLUOZQWAD-FQEVSTJZSA-N 0 0 452.653 4.711 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](COc3ccccc3F)c3ccccc3)[nH]n2)c1C ZINC001441568883 1066051541 /nfs/dbraw/zinc/05/15/41/1066051541.db2.gz LMTSDWCZSPFURG-HSZRJFAPSA-N 0 0 459.525 4.765 20 30 JJEDRN Cc1nc(CCn2c([C@H]3COc4ccccc4O3)nnc2N(CCC#N)CCC(C)C)sc1C ZINC001360899161 1066052652 /nfs/dbraw/zinc/05/26/52/1066052652.db2.gz JRTOMBYDAIIOJF-JOCHJYFZSA-N 0 0 480.638 4.873 20 30 JJEDRN Cc1nc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)sc1C ZINC001360900966 1066054112 /nfs/dbraw/zinc/05/41/12/1066054112.db2.gz AOCUTNUYVILFCV-MWTRTKDXSA-N 0 0 454.575 4.809 20 30 JJEDRN C[C@@](O)(C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC001441629032 1066056229 /nfs/dbraw/zinc/05/62/29/1066056229.db2.gz GUAXLKHTNZDWMU-SFHVURJKSA-N 0 0 453.354 4.969 20 30 JJEDRN COc1nsc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1Br ZINC001441659023 1066058451 /nfs/dbraw/zinc/05/84/51/1066058451.db2.gz OFUDRGFBXNYPSJ-UHFFFAOYSA-N 0 0 458.337 4.812 20 30 JJEDRN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)n1 ZINC001441775011 1066069064 /nfs/dbraw/zinc/06/90/64/1066069064.db2.gz QMRZOTFHEIUCJE-IBGZPJMESA-N 0 0 458.493 4.684 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001360916424 1066072199 /nfs/dbraw/zinc/07/21/99/1066072199.db2.gz LPZQTDDYFASDLN-UHFFFAOYSA-N 0 0 459.598 4.576 20 30 JJEDRN Cc1ncsc1CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360920156 1066076464 /nfs/dbraw/zinc/07/64/64/1066076464.db2.gz PSSSGHKYNMXKAJ-LJQANCHMSA-N 0 0 477.457 4.907 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC001441887455 1066078631 /nfs/dbraw/zinc/07/86/31/1066078631.db2.gz FUJOJVIGTDMHER-FYQCMVGJSA-N 0 0 461.562 4.964 20 30 JJEDRN Cc1ccsc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)C#N ZINC001360923415 1066079114 /nfs/dbraw/zinc/07/91/14/1066079114.db2.gz RVVYBMVUGNSLJU-QGZVFWFLSA-N 0 0 472.659 4.601 20 30 JJEDRN Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001360926539 1066083062 /nfs/dbraw/zinc/08/30/62/1066083062.db2.gz SJHHDUIEHITUAE-IBGZPJMESA-N 0 0 450.612 4.609 20 30 JJEDRN Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CC(F)(F)C1 ZINC001360926631 1066083601 /nfs/dbraw/zinc/08/36/01/1066083601.db2.gz WDRCWBBPLNWQDC-UHFFFAOYSA-N 0 0 457.550 4.823 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001360935275 1066094830 /nfs/dbraw/zinc/09/48/30/1066094830.db2.gz ZVVRCWPEOCTVJM-DYESRHJHSA-N 0 0 450.612 4.813 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360935568 1066095100 /nfs/dbraw/zinc/09/51/00/1066095100.db2.gz PKNTXIKGQXUDCS-UHFFFAOYSA-N 0 0 481.626 4.521 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC001442177668 1066099223 /nfs/dbraw/zinc/09/92/23/1066099223.db2.gz BWVHBMDMZHNNBS-XMMPIXPASA-N 0 0 459.477 4.537 20 30 JJEDRN Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360949566 1066105485 /nfs/dbraw/zinc/10/54/85/1066105485.db2.gz LGBVQOIIDDIICT-UHFFFAOYSA-N 0 0 482.466 4.729 20 30 JJEDRN Cc1c(Cn2c(-c3ccc(Br)s3)nnc2N2CCC(C#N)CC2)cnn1CC(C)C ZINC001360959692 1066117083 /nfs/dbraw/zinc/11/70/83/1066117083.db2.gz MGQVAFBJVNYMMH-UHFFFAOYSA-N 0 0 488.459 4.718 20 30 JJEDRN Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cnn1CC(C)C ZINC001360959779 1066117668 /nfs/dbraw/zinc/11/76/68/1066117668.db2.gz PFEQBZRZENLYSZ-HDICACEKSA-N 0 0 467.568 4.754 20 30 JJEDRN N#Cc1ccc(C2(C(=O)N3CCCN(C(=O)Nc4ccc(Cl)cc4)CC3)CCCC2)cc1 ZINC001442372235 1066120893 /nfs/dbraw/zinc/12/08/93/1066120893.db2.gz DNGDMDSPNTYGRV-UHFFFAOYSA-N 0 0 450.970 4.790 20 30 JJEDRN Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)cnn1CC(C)C ZINC001360976850 1066133102 /nfs/dbraw/zinc/13/31/02/1066133102.db2.gz VYOKFPIKEAICCW-YKSBVNFPSA-N 0 0 475.641 4.953 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC001442529952 1066133750 /nfs/dbraw/zinc/13/37/50/1066133750.db2.gz OXFWLBPFRBKSLN-OAQYLSRUSA-N 0 0 456.970 4.941 20 30 JJEDRN Cc1c2ccccc2oc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N ZINC001360977177 1066134101 /nfs/dbraw/zinc/13/41/01/1066134101.db2.gz HJDREBSWCHDBEO-QRQLOZEOSA-N 0 0 478.597 4.890 20 30 JJEDRN N#CCCCn1cc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c2ccccc21 ZINC001442669878 1066149923 /nfs/dbraw/zinc/14/99/23/1066149923.db2.gz SYFZTTIIBGADRB-JOCHJYFZSA-N 0 0 452.352 4.921 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(C)COC1 ZINC001360989726 1066163528 /nfs/dbraw/zinc/16/35/28/1066163528.db2.gz JWTBKRALKCWDMW-SFHVURJKSA-N 0 0 458.006 4.855 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C)COC1 ZINC001360990838 1066169236 /nfs/dbraw/zinc/16/92/36/1066169236.db2.gz ZWECIOQIZNMVFD-WZONZLPQSA-N 0 0 458.006 4.855 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)c(C)o1 ZINC001360997188 1066175667 /nfs/dbraw/zinc/17/56/67/1066175667.db2.gz CFTUVODFTYHABK-IDISGSTGSA-N 0 0 477.609 4.892 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)c(C)o1 ZINC001360997420 1066176143 /nfs/dbraw/zinc/17/61/43/1066176143.db2.gz HHKSNVFEANJGJH-JSRBVGTNSA-N 0 0 481.572 4.805 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)c(C)o1 ZINC001361002813 1066179717 /nfs/dbraw/zinc/17/97/17/1066179717.db2.gz IWAOHQZZZYEXSO-YGRUTGNNSA-N 0 0 477.609 4.861 20 30 JJEDRN Cc1cccc([C@H](C)Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361007357 1066186524 /nfs/dbraw/zinc/18/65/24/1066186524.db2.gz JCMRCRRZTIMRLI-QFQXNSOFSA-N 0 0 451.615 4.561 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2Cc2coc(-c3cccs3)n2)c1 ZINC001361018172 1066207535 /nfs/dbraw/zinc/20/75/35/1066207535.db2.gz JQKDLERSZPZNKA-GOSISDBHSA-N 0 0 462.579 4.835 20 30 JJEDRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001361021109 1066213093 /nfs/dbraw/zinc/21/30/93/1066213093.db2.gz DKHAODASZOAGLA-HNNXBMFYSA-N 0 0 455.345 4.529 20 30 JJEDRN CC[C@@]1(C)CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC(C)(C#N)CC2)O1 ZINC001546056200 1066222696 /nfs/dbraw/zinc/22/26/96/1066222696.db2.gz CEXJAHOACAUTDK-NVQXNPDNSA-N 0 0 451.615 4.550 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC001453946003 1066224068 /nfs/dbraw/zinc/22/40/68/1066224068.db2.gz NCLKIUIXWOMDFD-FIPFOOKPSA-N 0 0 459.590 4.877 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)O1 ZINC001546056910 1066229774 /nfs/dbraw/zinc/22/97/74/1066229774.db2.gz LGHCVDKZDZFCPB-UGTJMOTHSA-N 0 0 477.531 4.711 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)O1 ZINC001546056950 1066230739 /nfs/dbraw/zinc/23/07/39/1066230739.db2.gz LVNVBKYTGKZYBP-LJFZDNNRSA-N 0 0 459.541 4.558 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361027859 1066230902 /nfs/dbraw/zinc/23/09/02/1066230902.db2.gz FTNDJLLMDRZCQZ-SFTDATJTSA-N 0 0 451.615 4.808 20 30 JJEDRN N#Cc1ccccc1N1CCN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)CC1 ZINC001442872031 1066235351 /nfs/dbraw/zinc/23/53/51/1066235351.db2.gz COXRMZOBMFXAGS-UHFFFAOYSA-N 0 0 452.345 4.966 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](CC2CC2)NC(=O)OC(C)(C)C)cc1 ZINC001442882186 1066237105 /nfs/dbraw/zinc/23/71/05/1066237105.db2.gz YUESSVZXAQPGTH-HXUWFJFHSA-N 0 0 451.523 4.991 20 30 JJEDRN COc1cc(/C=C(\C(=O)N2CCC(Nc3ccccc3C#N)CC2)c2ccccc2)ccc1O ZINC001454241521 1066257018 /nfs/dbraw/zinc/25/70/18/1066257018.db2.gz LRRQPHQYMJUWIK-ULJHMMPZSA-N 0 0 453.542 4.916 20 30 JJEDRN Cc1cc(C)cc(OCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H](C)C#N)c1 ZINC001361041630 1066264214 /nfs/dbraw/zinc/26/42/14/1066264214.db2.gz FDAMKZNENKFZKR-FGZHOGPDSA-N 0 0 496.656 4.684 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)NC2CCCCC2)c(C)n1-c1ccccc1 ZINC001361044800 1066268163 /nfs/dbraw/zinc/26/81/63/1066268163.db2.gz FROIVTZTBNHSIC-FQEVSTJZSA-N 0 0 487.652 4.930 20 30 JJEDRN COc1cccc([S@@](=O)CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 ZINC001443102144 1066268493 /nfs/dbraw/zinc/26/84/93/1066268493.db2.gz WZLWBXFRGNEKSV-HKBQPEDESA-N 0 0 454.935 4.546 20 30 JJEDRN Cc1ccc(C[C@]2(C)CCCN2C(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc1 ZINC001454338410 1066272615 /nfs/dbraw/zinc/27/26/15/1066272615.db2.gz ZQFOMNKSWFTYHQ-DEOSSOPVSA-N 0 0 452.396 4.689 20 30 JJEDRN N#Cc1cccc(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1Br ZINC001443169884 1066277317 /nfs/dbraw/zinc/27/73/17/1066277317.db2.gz SCKDSHCAWCZZRI-SFHVURJKSA-N 0 0 458.743 4.562 20 30 JJEDRN Cc1cc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@]2(C)COCCO2)c(C)n1-c1ccccc1 ZINC001361048410 1066277807 /nfs/dbraw/zinc/27/78/07/1066277807.db2.gz BMKSBWIONNQHTL-NDEPHWFRSA-N 0 0 490.652 4.924 20 30 JJEDRN Cc1cc(-c2nnc(N3CCC(C#N)CC3)n2CC(F)(F)Br)c2ccccc2n1 ZINC001361048489 1066277833 /nfs/dbraw/zinc/27/78/33/1066277833.db2.gz CXFJCIJMIRQZGV-UHFFFAOYSA-N 0 0 461.314 4.529 20 30 JJEDRN Cc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049411 1066281906 /nfs/dbraw/zinc/28/19/06/1066281906.db2.gz CODNGHIPDJEARZ-AREMUKBSSA-N 0 0 493.587 4.501 20 30 JJEDRN CCOc1ccc(N(CCC#N)C(=O)c2cc(I)c(F)cc2F)cc1 ZINC001443256225 1066285076 /nfs/dbraw/zinc/28/50/76/1066285076.db2.gz WICHRAZEEYQGAM-UHFFFAOYSA-N 0 0 456.230 4.529 20 30 JJEDRN Cc1cccc(CN(Cc2ccccn2)C(=O)COc2ccc(C#N)c(Br)c2)c1 ZINC001443258826 1066285842 /nfs/dbraw/zinc/28/58/42/1066285842.db2.gz BDQOJDXUGLBNQV-UHFFFAOYSA-N 0 0 450.336 4.632 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC2(CCSCC2)CC1 ZINC001454510624 1066295064 /nfs/dbraw/zinc/29/50/64/1066295064.db2.gz FPXRNMJVTSHMCD-OAQYLSRUSA-N 0 0 455.624 4.528 20 30 JJEDRN COc1ccccc1[C@@H]1CCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N ZINC001443356121 1066299777 /nfs/dbraw/zinc/29/97/77/1066299777.db2.gz FPALDERNCNVTFJ-BXKVCUJVSA-N 0 0 453.583 4.536 20 30 JJEDRN COc1ccccc1[C@H]1CCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N ZINC001443356152 1066299849 /nfs/dbraw/zinc/29/98/49/1066299849.db2.gz FPALDERNCNVTFJ-LOYAUHJXSA-N 0 0 453.583 4.536 20 30 JJEDRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cs1 ZINC001443356739 1066300056 /nfs/dbraw/zinc/30/00/56/1066300056.db2.gz FFNLDAQJTQFVLS-ZDUSSCGKSA-N 0 0 455.367 4.512 20 30 JJEDRN COc1ccccc1[C@H]1CCCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC001443364182 1066302506 /nfs/dbraw/zinc/30/25/06/1066302506.db2.gz MVACXUCEOFLZPT-OAQYLSRUSA-N 0 0 454.368 4.519 20 30 JJEDRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[C@H]3C#N)cc2)c(C)c1C ZINC001454651257 1066315061 /nfs/dbraw/zinc/31/50/61/1066315061.db2.gz JGWLOTQNZXYRIZ-GMAHTHKFSA-N 0 0 453.608 4.794 20 30 JJEDRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001454675782 1066318889 /nfs/dbraw/zinc/31/88/89/1066318889.db2.gz DYLTWRWWSIOHIA-QFIPXVFZSA-N 0 0 451.324 4.505 20 30 JJEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1 ZINC001443504192 1066320452 /nfs/dbraw/zinc/32/04/52/1066320452.db2.gz AVFHEEGWYYJHDY-DQEYMECFSA-N 0 0 455.558 4.932 20 30 JJEDRN Cc1cc(-c2csc(NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)n2)c(C)o1 ZINC001443510350 1066321335 /nfs/dbraw/zinc/32/13/35/1066321335.db2.gz QRAHURCPZGEQPL-PMFMOCITSA-N 0 0 456.568 4.745 20 30 JJEDRN CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC001545959386 1066321740 /nfs/dbraw/zinc/32/17/40/1066321740.db2.gz VEUFHCKDAWEAOR-SFHVURJKSA-N 0 0 490.555 4.590 20 30 JJEDRN C=CCc1ccc(OCC(=O)NC[C@H](C)Sc2ccc(Br)cc2)c(OC)c1 ZINC001443529893 1066323438 /nfs/dbraw/zinc/32/34/38/1066323438.db2.gz HQBVSLJZGAYDJB-HNNXBMFYSA-N 0 0 450.398 4.862 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1OCCC1(C)C ZINC001361087899 1066328404 /nfs/dbraw/zinc/32/84/04/1066328404.db2.gz QDNXCDHKDYCIKH-RXVVDRJESA-N 0 0 460.022 4.805 20 30 JJEDRN Cc1noc(C)c1CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@](F)(C#N)C1 ZINC001361087819 1066328669 /nfs/dbraw/zinc/32/86/69/1066328669.db2.gz CXZWRPDWYCNAKR-DEOSSOPVSA-N 0 0 486.979 4.541 20 30 JJEDRN COc1ccc(Br)cc1-c1ncc(C(=O)N(CCC#N)Cc2ccccn2)s1 ZINC001443570950 1066330003 /nfs/dbraw/zinc/33/00/03/1066330003.db2.gz FTKOBSGZHXIEIK-UHFFFAOYSA-N 0 0 457.353 4.532 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCCO1 ZINC001361089441 1066335752 /nfs/dbraw/zinc/33/57/52/1066335752.db2.gz UPSQGEOEEHZQPB-SQJMNOBHSA-N 0 0 472.033 4.951 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCS1 ZINC001361089453 1066335795 /nfs/dbraw/zinc/33/57/95/1066335795.db2.gz UTXWMNMHVRYMOE-PGRDOPGGSA-N 0 0 464.010 4.589 20 30 JJEDRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCC(F)F)C1 ZINC001546066106 1066339625 /nfs/dbraw/zinc/33/96/25/1066339625.db2.gz GZJZXYKUHLYGHS-DEOSSOPVSA-N 0 0 452.509 4.530 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001454998379 1066350720 /nfs/dbraw/zinc/35/07/20/1066350720.db2.gz COBXYSWMMHVVTF-RTWAWAEBSA-N 0 0 453.587 4.888 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC#N)NC(=O)OC(C)(C)C ZINC001545961264 1066354189 /nfs/dbraw/zinc/35/41/89/1066354189.db2.gz ROBOGHIJIOCYMT-KGLIPLIRSA-N 0 0 497.463 4.811 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cccc(C#N)c1)OC ZINC001545961440 1066357016 /nfs/dbraw/zinc/35/70/16/1066357016.db2.gz VPHLBWXNRSPMHH-MRXNPFEDSA-N 0 0 460.401 4.702 20 30 JJEDRN C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC001443752925 1066362596 /nfs/dbraw/zinc/36/25/96/1066362596.db2.gz ADRSWUNRSBPFGZ-CQSZACIVSA-N 0 0 452.561 4.534 20 30 JJEDRN O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cnc2cccnn21 ZINC001546069067 1066364077 /nfs/dbraw/zinc/36/40/77/1066364077.db2.gz CNMMJJFMLCRUHI-CYBMUJFWSA-N 0 0 456.268 4.800 20 30 JJEDRN CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC001455155626 1066366053 /nfs/dbraw/zinc/36/60/53/1066366053.db2.gz NHKLVXUFQUFZAA-FQEVSTJZSA-N 0 0 459.537 4.678 20 30 JJEDRN Cc1cc2cc(Cn3c([C@@H]4CCCN4C(=O)OC(C)(C)C)nnc3N(C)C[C@@H](C)C#N)ccc2[nH]1 ZINC001361115506 1066367131 /nfs/dbraw/zinc/36/71/31/1066367131.db2.gz MUPBMUSURMQYQO-JTSKRJEESA-N 0 0 477.613 4.784 20 30 JJEDRN Cc1ccn2cc(Cn3c([C@@H]4CCO[C@H]4C(C)(C)C)nnc3N(CCC#N)CCC(C)C)nc2c1 ZINC001361116177 1066367363 /nfs/dbraw/zinc/36/73/63/1066367363.db2.gz ZXCLELPHMPJHIH-ISKFKSNPSA-N 0 0 477.657 4.967 20 30 JJEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001455218369 1066371904 /nfs/dbraw/zinc/37/19/04/1066371904.db2.gz JNIZZVWNJPGJRL-UGKGYDQZSA-N 0 0 456.489 4.974 20 30 JJEDRN CN1C(=O)C[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC001361124730 1066377989 /nfs/dbraw/zinc/37/79/89/1066377989.db2.gz HGTUAYUNUWOKNP-SQJMNOBHSA-N 0 0 461.468 4.574 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1 ZINC001455277414 1066379307 /nfs/dbraw/zinc/37/93/07/1066379307.db2.gz WDXWSQIHQZZPOR-SFHVURJKSA-N 0 0 453.624 4.532 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC(C)(C)N2CCOCC2)c1 ZINC001361125889 1066380035 /nfs/dbraw/zinc/38/00/35/1066380035.db2.gz GMJZIKWYGQVVRE-UHFFFAOYSA-N 0 0 494.684 4.530 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1OC ZINC001443889971 1066380884 /nfs/dbraw/zinc/38/08/84/1066380884.db2.gz NMYPLOLQHJYLLL-OQFUBPRESA-N 0 0 458.961 4.847 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1OC ZINC001443889961 1066381456 /nfs/dbraw/zinc/38/14/56/1066381456.db2.gz NMYPLOLQHJYLLL-FTUXVVSKSA-N 0 0 458.961 4.847 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccncc2Cl)c1 ZINC001361127074 1066386979 /nfs/dbraw/zinc/38/69/79/1066386979.db2.gz DJBOPQIQLMVUFZ-DEOSSOPVSA-N 0 0 468.964 4.828 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361127520 1066388363 /nfs/dbraw/zinc/38/83/63/1066388363.db2.gz KUNJUMAPDXMOJR-IZZNHLLZSA-N 0 0 469.605 4.672 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361127518 1066388578 /nfs/dbraw/zinc/38/85/78/1066388578.db2.gz KUNJUMAPDXMOJR-CLJLJLNGSA-N 0 0 469.605 4.672 20 30 JJEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(Oc3ccnc4ccccc43)c2)c1 ZINC001444052425 1066397215 /nfs/dbraw/zinc/39/72/15/1066397215.db2.gz KPVJLVXYEHKNFD-UHFFFAOYSA-N 0 0 459.527 4.744 20 30 JJEDRN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC001455529518 1066403995 /nfs/dbraw/zinc/40/39/95/1066403995.db2.gz HROIXSVLMSMFGP-QFIPXVFZSA-N 0 0 457.555 4.948 20 30 JJEDRN C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl ZINC001444106242 1066406682 /nfs/dbraw/zinc/40/66/82/1066406682.db2.gz ZFUKKCJSYYLPQC-GFCCVEGCSA-N 0 0 457.777 4.598 20 30 JJEDRN C#CCN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001444118573 1066408770 /nfs/dbraw/zinc/40/87/70/1066408770.db2.gz HTLMAPZTGJETKJ-HXUWFJFHSA-N 0 0 454.299 4.578 20 30 JJEDRN C#CCN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC001444118566 1066408814 /nfs/dbraw/zinc/40/88/14/1066408814.db2.gz HTLMAPZTGJETKJ-FQEVSTJZSA-N 0 0 454.299 4.578 20 30 JJEDRN C#CCN(C(=O)Cc1c(C)cc(N(C)C)cc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC001444120197 1066409482 /nfs/dbraw/zinc/40/94/82/1066409482.db2.gz KBPZKXOSZNJTJT-QFIPXVFZSA-N 0 0 455.396 4.660 20 30 JJEDRN CC(C)(C)/C=C/C(=O)N(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F ZINC001455646972 1066419096 /nfs/dbraw/zinc/41/90/96/1066419096.db2.gz QGGNAIGCSUAEDI-SNAWJCMRSA-N 0 0 451.301 4.761 20 30 JJEDRN CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)C(=O)c1ccccc1Oc1ccccc1C#N ZINC001455670873 1066422405 /nfs/dbraw/zinc/42/24/05/1066422405.db2.gz GAHVSHKKYHQENK-QGZVFWFLSA-N 0 0 455.440 4.654 20 30 JJEDRN COc1cccc(-c2noc([C@H](C)NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)c1 ZINC001361141958 1066422677 /nfs/dbraw/zinc/42/26/77/1066422677.db2.gz WGVGHAJTAUVOGI-KRWDZBQOSA-N 0 0 454.486 4.687 20 30 JJEDRN C=CC[C@@H](NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccncc1 ZINC001444209394 1066429006 /nfs/dbraw/zinc/42/90/06/1066429006.db2.gz KLOWCBMGQXRHDU-GOSISDBHSA-N 0 0 454.324 4.666 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(Cl)nc2)c1 ZINC001361149447 1066439937 /nfs/dbraw/zinc/43/99/37/1066439937.db2.gz UUYKKBUYKGHUPU-UHFFFAOYSA-N 0 0 450.974 4.701 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2Cc2cc(COC(C)(C)C)on2)c1 ZINC001361152054 1066445296 /nfs/dbraw/zinc/44/52/96/1066445296.db2.gz OUIPDHZNJUAKER-UHFFFAOYSA-N 0 0 478.597 4.565 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361155431 1066454195 /nfs/dbraw/zinc/45/41/95/1066454195.db2.gz CLDHCEOKYPJYLQ-KAYWLYCHSA-N 0 0 465.642 4.935 20 30 JJEDRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC001444386082 1066456622 /nfs/dbraw/zinc/45/66/22/1066456622.db2.gz HMDQZWTZCYCMTI-KPZWWZAWSA-N 0 0 456.365 4.664 20 30 JJEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC001455941978 1066456865 /nfs/dbraw/zinc/45/68/65/1066456865.db2.gz QCYMCNNQZYCRME-UHFFFAOYSA-N 0 0 454.324 4.573 20 30 JJEDRN Cc1ccc(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cc1OC(F)F ZINC001444438490 1066461762 /nfs/dbraw/zinc/46/17/62/1066461762.db2.gz YTWZEPMCAYSHPQ-HXUWFJFHSA-N 0 0 457.477 4.941 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2Cc3ccccc3C2)c1 ZINC001456016511 1066474730 /nfs/dbraw/zinc/47/47/30/1066474730.db2.gz GPNWEMYAWZSAJU-UHFFFAOYSA-N 0 0 452.963 4.877 20 30 JJEDRN N#Cc1cncc(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 ZINC001456022266 1066479148 /nfs/dbraw/zinc/47/91/48/1066479148.db2.gz ZWMIZJPNTRLCDP-VXLYETTFSA-N 0 0 455.499 4.718 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC001456024348 1066479860 /nfs/dbraw/zinc/47/98/60/1066479860.db2.gz IMAJSWDVKNXKHK-UXHICEINSA-N 0 0 451.542 4.628 20 30 JJEDRN C[C@@H](OC(=O)c1ccc(I)c(Br)c1)c1ccc(C#N)cc1 ZINC001361168751 1066482139 /nfs/dbraw/zinc/48/21/39/1066482139.db2.gz LBPUHDPWLAKJAO-SNVBAGLBSA-N 0 0 456.077 4.843 20 30 JJEDRN O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001546078719 1066482730 /nfs/dbraw/zinc/48/27/30/1066482730.db2.gz XGLKTERKPPXLBY-ZDUSSCGKSA-N 0 0 457.386 4.634 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCc2cn3ccccc3n2)cc1Br ZINC001361171714 1066487930 /nfs/dbraw/zinc/48/79/30/1066487930.db2.gz WDWFWOURWMQIGX-KRWDZBQOSA-N 0 0 478.398 4.645 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCNC(=O)OC(C)(C)C)cc1Br ZINC001361175137 1066492174 /nfs/dbraw/zinc/49/21/74/1066492174.db2.gz DDGXQHZGENIHLQ-OAHLLOKOSA-N 0 0 491.434 4.527 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCNC(=O)OC(C)(C)C)cc1Br ZINC001361175136 1066492191 /nfs/dbraw/zinc/49/21/91/1066492191.db2.gz DDGXQHZGENIHLQ-HNNXBMFYSA-N 0 0 491.434 4.527 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(CCC)c2)c1 ZINC001444725004 1066497391 /nfs/dbraw/zinc/49/73/91/1066497391.db2.gz PRWSUKZZIYOYCC-UHFFFAOYSA-N 0 0 458.971 4.580 20 30 JJEDRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001546078955 1066498881 /nfs/dbraw/zinc/49/88/81/1066498881.db2.gz CKMRQESBNYYGTI-MZNJEOGPSA-N 0 0 466.611 4.567 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361178171 1066498883 /nfs/dbraw/zinc/49/88/83/1066498883.db2.gz HHYFKXGLFGWNCX-NRFANRHFSA-N 0 0 478.597 4.904 20 30 JJEDRN CC[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545969254 1066504569 /nfs/dbraw/zinc/50/45/69/1066504569.db2.gz UUEFGGWFYGYYJS-HZPDHXFCSA-N 0 0 491.434 4.607 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H](CNc4ccc(Cl)cc4)C3)CC2)c(F)c1 ZINC001456087293 1066506579 /nfs/dbraw/zinc/50/65/79/1066506579.db2.gz WAYQENVAGLBOAL-LJQANCHMSA-N 0 0 454.977 4.918 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](CNc4ccc(Cl)cc4)C3)CC2)c(F)c1 ZINC001456087288 1066506606 /nfs/dbraw/zinc/50/66/06/1066506606.db2.gz WAYQENVAGLBOAL-IBGZPJMESA-N 0 0 454.977 4.918 20 30 JJEDRN Cc1ccc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361190929 1066516645 /nfs/dbraw/zinc/51/66/45/1066516645.db2.gz BRWYNQGVPVNSMQ-UHFFFAOYSA-N 0 0 472.515 4.771 20 30 JJEDRN N#Cc1cc(NC(=O)c2cc3c([nH]c2=O)CCOC3)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001444938695 1066519945 /nfs/dbraw/zinc/51/99/45/1066519945.db2.gz WAWACNBTNICPDZ-UHFFFAOYSA-N 0 0 455.392 4.795 20 30 JJEDRN CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456141329 1066520275 /nfs/dbraw/zinc/52/02/75/1066520275.db2.gz KIABWSBYGLNLQJ-FQEVSTJZSA-N 0 0 450.539 4.607 20 30 JJEDRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC001456149618 1066522815 /nfs/dbraw/zinc/52/28/15/1066522815.db2.gz MHIHPRCWGDXYHC-MHZLTWQESA-N 0 0 459.590 4.781 20 30 JJEDRN N#Cc1ccc(OCC(=O)NCc2ccccc2Oc2cccc(F)c2)cc1Br ZINC001456157065 1066525069 /nfs/dbraw/zinc/52/50/69/1066525069.db2.gz OMTZDEJLGQKVOO-UHFFFAOYSA-N 0 0 455.283 4.947 20 30 JJEDRN CCCc1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)nnn1-c1cccc(C(C)C)c1 ZINC001456162282 1066526728 /nfs/dbraw/zinc/52/67/28/1066526728.db2.gz VYXNMKIQTQDEAY-UHFFFAOYSA-N 0 0 457.578 4.898 20 30 JJEDRN Cc1ccc(-n2nc(CCCNC(=O)C(C)(C)c3ccc4ccccc4c3)c(C#N)c2N)cc1 ZINC001445164901 1066541820 /nfs/dbraw/zinc/54/18/20/1066541820.db2.gz ZXBSFUPIJYVVHM-UHFFFAOYSA-N 0 0 451.574 4.814 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccc(OCC(F)(F)F)c2)o1 ZINC001361213331 1066548317 /nfs/dbraw/zinc/54/83/17/1066548317.db2.gz WYHHYNJQPFCCGP-JOCHJYFZSA-N 0 0 459.472 4.966 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)SC)c1 ZINC001361213753 1066548648 /nfs/dbraw/zinc/54/86/48/1066548648.db2.gz ZSIBXAPXXGAFRE-UHFFFAOYSA-N 0 0 453.029 4.593 20 30 JJEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001456266110 1066549838 /nfs/dbraw/zinc/54/98/38/1066549838.db2.gz ORFHVOPSASYSHD-GOSISDBHSA-N 0 0 450.848 4.521 20 30 JJEDRN N#C[C@@H]1CN(C(=O)CCSc2ccnc3cc(Cl)ccc32)CCN1Cc1ccccc1 ZINC001456276192 1066553230 /nfs/dbraw/zinc/55/32/30/1066553230.db2.gz OOXVIGFQONZCLO-HXUWFJFHSA-N 0 0 450.995 4.607 20 30 JJEDRN C=CCc1cc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)cc(OC)c1OC ZINC001361217549 1066553450 /nfs/dbraw/zinc/55/34/50/1066553450.db2.gz HDQZTMJEIWMAOK-UHFFFAOYSA-N 0 0 452.732 4.887 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)ccc1OC ZINC001456302166 1066558489 /nfs/dbraw/zinc/55/84/89/1066558489.db2.gz ISGWVIIDPZNMHX-GOSISDBHSA-N 0 0 458.440 4.511 20 30 JJEDRN N#CCCSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001456306838 1066560082 /nfs/dbraw/zinc/56/00/82/1066560082.db2.gz SZOKPWLMDSQPDE-SFHVURJKSA-N 0 0 454.621 4.583 20 30 JJEDRN C#CC(C)(C)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 ZINC001456312843 1066560735 /nfs/dbraw/zinc/56/07/35/1066560735.db2.gz SMGKZPMATNGWES-JXAWBTAJSA-N 0 0 456.542 4.889 20 30 JJEDRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)(F)C(F)F)o1 ZINC001361236160 1066576714 /nfs/dbraw/zinc/57/67/14/1066576714.db2.gz FWGVSZFKPUJFKV-SFHVURJKSA-N 0 0 477.462 4.977 20 30 JJEDRN C#CCOc1ccccc1CNC(=O)c1cnc(-c2cc(Br)ccc2OC)s1 ZINC001456451564 1066590603 /nfs/dbraw/zinc/59/06/03/1066590603.db2.gz ZVBSEPLTSMMCGY-UHFFFAOYSA-N 0 0 457.349 4.523 20 30 JJEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC001456465537 1066592754 /nfs/dbraw/zinc/59/27/54/1066592754.db2.gz SXNUGJAIGHCVQI-UHFFFAOYSA-N 0 0 454.889 4.534 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)C[C@@H](NC(=O)c3ccc(O)cc3)c3ccccc3)CC2)cc1 ZINC001456486540 1066596175 /nfs/dbraw/zinc/59/61/75/1066596175.db2.gz RJXFDTPTPPIKHF-AREMUKBSSA-N 0 0 453.542 4.531 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC001445633756 1066596498 /nfs/dbraw/zinc/59/64/98/1066596498.db2.gz VMUUAJAZXUGRRN-AZUAARDMSA-N 0 0 452.894 4.562 20 30 JJEDRN N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](NC(=O)c4ccc(Cl)cc4)C3)c2)cc1 ZINC001456489907 1066597381 /nfs/dbraw/zinc/59/73/81/1066597381.db2.gz OYHSOFQLQFWNSZ-XMMPIXPASA-N 0 0 458.949 4.990 20 30 JJEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C)n(-c3ccccc3Br)n2)c1 ZINC001456497329 1066600327 /nfs/dbraw/zinc/60/03/27/1066600327.db2.gz RQMBPBNMBPDAOB-KRWDZBQOSA-N 0 0 453.340 4.554 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)Br)s1 ZINC001361260930 1066610398 /nfs/dbraw/zinc/61/03/98/1066610398.db2.gz ARKXBFSQPIBJFC-UHFFFAOYSA-N 0 0 482.354 4.723 20 30 JJEDRN COc1ccccc1[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1noc(C)n1 ZINC001456519402 1066611068 /nfs/dbraw/zinc/61/10/68/1066611068.db2.gz PZBHTMHBIYEUBC-XMMPIXPASA-N 0 0 454.486 4.764 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OC(F)(F)C(F)(F)F)cc3)n[nH]2)c1C ZINC001445737825 1066613094 /nfs/dbraw/zinc/61/30/94/1066613094.db2.gz FSUBOZWQWDJNBH-UHFFFAOYSA-N 0 0 455.387 4.862 20 30 JJEDRN O=C(NC1CCC(O)(C(F)(F)F)CC1)c1c(F)ccc(C(F)(F)F)c1Br ZINC001445859440 1066627143 /nfs/dbraw/zinc/62/71/43/1066627143.db2.gz BXIJLOINNRGTEG-UHFFFAOYSA-N 0 0 452.164 4.573 20 30 JJEDRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 ZINC001361274074 1066630814 /nfs/dbraw/zinc/63/08/14/1066630814.db2.gz CGIPSTIQIPEUSN-AREMUKBSSA-N 0 0 453.542 4.884 20 30 JJEDRN Cc1ccc(C(=O)CCC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1C ZINC001456586918 1066633818 /nfs/dbraw/zinc/63/38/18/1066633818.db2.gz JWUXNJJSZFAUTN-ZIAGYGMSSA-N 0 0 457.361 4.896 20 30 JJEDRN O=C(c1ncc(Cc2ccccc2)o1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001456588121 1066634279 /nfs/dbraw/zinc/63/42/79/1066634279.db2.gz LVCIOZQPDHPNER-BETUJISGSA-N 0 0 454.317 4.508 20 30 JJEDRN O=C(c1ncc(Cc2ccccc2)o1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001456588141 1066634374 /nfs/dbraw/zinc/63/43/74/1066634374.db2.gz LVCIOZQPDHPNER-STQMWFEESA-N 0 0 454.317 4.508 20 30 JJEDRN Cc1ccc(Cn2c(-c3nn(C(C)C)c(=O)c4ccccc43)nnc2N(CCC#N)CCC(C)C)cn1 ZINC001361278445 1066636131 /nfs/dbraw/zinc/63/61/31/1066636131.db2.gz XLBLYRYAXNKFQW-UHFFFAOYSA-N 0 0 498.635 4.754 20 30 JJEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC001361288562 1066647151 /nfs/dbraw/zinc/64/71/51/1066647151.db2.gz PLYJJLINRFZZRY-UHFFFAOYSA-N 0 0 452.902 4.700 20 30 JJEDRN Cc1ccccc1OCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 ZINC001492601387 1066655822 /nfs/dbraw/zinc/65/58/22/1066655822.db2.gz AHFWIWDIZMGDME-JOCHJYFZSA-N 0 0 494.640 4.520 20 30 JJEDRN CCNc1ccc(C#N)cc1NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001446094754 1066658800 /nfs/dbraw/zinc/65/88/00/1066658800.db2.gz GGHVJVQYLQRPAI-UHFFFAOYSA-N 0 0 455.584 4.813 20 30 JJEDRN Cc1cccnc1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001492605189 1066663244 /nfs/dbraw/zinc/66/32/44/1066663244.db2.gz SUXUWQBITSWKQL-QFIPXVFZSA-N 0 0 451.372 4.589 20 30 JJEDRN N#Cc1ccc(CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)cc1 ZINC001456683369 1066665827 /nfs/dbraw/zinc/66/58/27/1066665827.db2.gz GKRLVZRWYVQUCI-UHFFFAOYSA-N 0 0 454.786 4.981 20 30 JJEDRN C=CCC[C@@H](NC(=O)c1cnc2ccc(I)cc2c1O)c1ccccc1 ZINC001545981539 1066665957 /nfs/dbraw/zinc/66/59/57/1066665957.db2.gz VSJODIKDGGBVCE-GOSISDBHSA-N 0 0 458.299 4.570 20 30 JJEDRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCc2c(C#N)c(N)sc2C1 ZINC001456732162 1066676907 /nfs/dbraw/zinc/67/69/07/1066676907.db2.gz FQLMETZKNXBCQD-GFCCVEGCSA-N 0 0 458.996 4.717 20 30 JJEDRN CCOC(=O)c1sc(-c2cccc(Br)c2)cc1NC(=O)c1ccc(C#N)n1C ZINC001456736401 1066678319 /nfs/dbraw/zinc/67/83/19/1066678319.db2.gz WIWFUDMDSYJOHP-UHFFFAOYSA-N 0 0 458.337 4.817 20 30 JJEDRN Cc1cnn(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@@H](C)CC#N)c1 ZINC001492624327 1066696260 /nfs/dbraw/zinc/69/62/60/1066696260.db2.gz SGBKAUAPTOMQKL-OALUTQOASA-N 0 0 455.994 4.632 20 30 JJEDRN COC(=O)C[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccc(C(C)(C)C)cc1 ZINC001456813788 1066699106 /nfs/dbraw/zinc/69/91/06/1066699106.db2.gz NOOJJDFIPWGPLN-NRFANRHFSA-N 0 0 453.608 4.689 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N[C@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc1OC ZINC001456813110 1066699376 /nfs/dbraw/zinc/69/93/76/1066699376.db2.gz MLHBLCQCUJGDLL-YTIHOSAGSA-N 0 0 451.563 4.991 20 30 JJEDRN Cc1cn2c(n1)[C@@H](Cn1c(COc3ccc(C#N)cc3)nnc1N(CC(C)C)C(C)C)CCC2 ZINC001492628663 1066699981 /nfs/dbraw/zinc/69/99/81/1066699981.db2.gz JXKVMABOPZGZPY-JOCHJYFZSA-N 0 0 461.614 4.682 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)(C#N)CC2)s1 ZINC001492630483 1066705066 /nfs/dbraw/zinc/70/50/66/1066705066.db2.gz VDLCTSGNEXEBJV-AWEZNQCLSA-N 0 0 488.459 4.745 20 30 JJEDRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)NC(=O)OC(C)(C)C ZINC001545986501 1066708521 /nfs/dbraw/zinc/70/85/21/1066708521.db2.gz GOBOTBMWVWPMDA-GGAORHGYSA-N 0 0 494.640 4.864 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)s1 ZINC001492633126 1066713040 /nfs/dbraw/zinc/71/30/40/1066713040.db2.gz VDEXEQCDGVIVLU-QMHKHESXSA-N 0 0 454.575 4.695 20 30 JJEDRN C=CCOc1ccc(OC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OCC)cc1 ZINC001456888044 1066714672 /nfs/dbraw/zinc/71/46/72/1066714672.db2.gz ZZQRLVSVEMYWDG-UHFFFAOYSA-N 0 0 457.482 4.666 20 30 JJEDRN Cc1cnc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)Br)CC2)s1 ZINC001492633685 1066715581 /nfs/dbraw/zinc/71/55/81/1066715581.db2.gz LAJYEYCSOASFDW-UHFFFAOYSA-N 0 0 493.381 4.953 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC001456911850 1066719572 /nfs/dbraw/zinc/71/95/72/1066719572.db2.gz CTQRVHHHJREHAD-UHFFFAOYSA-N 0 0 451.542 4.817 20 30 JJEDRN C=CCC[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001446564954 1066721150 /nfs/dbraw/zinc/72/11/50/1066721150.db2.gz DIZJKGAOKQCCEW-GOSISDBHSA-N 0 0 450.417 4.559 20 30 JJEDRN C[C@H](C#N)Oc1ccccc1NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446643800 1066728177 /nfs/dbraw/zinc/72/81/77/1066728177.db2.gz MQVGMINIYICBFM-GOSISDBHSA-N 0 0 455.514 4.845 20 30 JJEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001446642736 1066728330 /nfs/dbraw/zinc/72/83/30/1066728330.db2.gz LOMHIOLGWUGTPT-HNNXBMFYSA-N 0 0 455.923 4.684 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)n1 ZINC001492640428 1066731195 /nfs/dbraw/zinc/73/11/95/1066731195.db2.gz ZEPLLIGCZVRYQM-YJBOKZPZSA-N 0 0 472.565 4.779 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)n1 ZINC001492640631 1066732168 /nfs/dbraw/zinc/73/21/68/1066732168.db2.gz ZVQIYEITIIJFCD-GOSISDBHSA-N 0 0 463.655 4.634 20 30 JJEDRN Cc1csc([C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)C)C2)n1 ZINC001492642359 1066735905 /nfs/dbraw/zinc/73/59/05/1066735905.db2.gz OAMCSCYFNCKYKI-HXUWFJFHSA-N 0 0 450.612 4.924 20 30 JJEDRN Cc1csc(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001492644302 1066741672 /nfs/dbraw/zinc/74/16/72/1066741672.db2.gz ZRDIIOWRPWYTHM-QFIPXVFZSA-N 0 0 494.665 4.768 20 30 JJEDRN Cc1csc(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)[C@H]2C)n1 ZINC001492644597 1066742623 /nfs/dbraw/zinc/74/26/23/1066742623.db2.gz TXDQHNZNAMVIHL-MSOLQXFVSA-N 0 0 452.653 4.935 20 30 JJEDRN Cc1csc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)c1 ZINC001492647434 1066751457 /nfs/dbraw/zinc/75/14/57/1066751457.db2.gz LTYVXPPGDXNUHJ-UHFFFAOYSA-N 0 0 496.637 4.912 20 30 JJEDRN Cc1csc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2sc(C)nc2C)c1 ZINC001492647926 1066752930 /nfs/dbraw/zinc/75/29/30/1066752930.db2.gz BNESUACEVKFJOR-UHFFFAOYSA-N 0 0 464.620 4.857 20 30 JJEDRN Cc1ccc([C@@H](NC(=O)c2cccc(SCC#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457072762 1066755173 /nfs/dbraw/zinc/75/51/73/1066755173.db2.gz OYMYQVPVGKRBDA-HSZRJFAPSA-N 0 0 450.585 4.534 20 30 JJEDRN CCCCOc1ccc(C=NOCC(=O)N=[S@](C)(=O)c2cccc(Cl)c2)cc1OC ZINC001457103216 1066762348 /nfs/dbraw/zinc/76/23/48/1066762348.db2.gz ONSOMQZTFSGENN-SSEXGKCCSA-N 0 0 452.960 4.562 20 30 JJEDRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1COc2c(F)cc(F)cc2C1 ZINC001457110906 1066764383 /nfs/dbraw/zinc/76/43/83/1066764383.db2.gz XUSZYARYHANXME-CYBMUJFWSA-N 0 0 455.301 4.501 20 30 JJEDRN Cc1nc(C)c(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)s1 ZINC001492655161 1066765260 /nfs/dbraw/zinc/76/52/60/1066765260.db2.gz LUCQVSRJTJMKEU-MRXNPFEDSA-N 0 0 454.575 4.613 20 30 JJEDRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)s1 ZINC001492658442 1066773167 /nfs/dbraw/zinc/77/31/67/1066773167.db2.gz CWTUHTWYWFKJDK-INIZCTEOSA-N 0 0 454.575 4.809 20 30 JJEDRN COc1ccc([C@@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CCO2)cc1OC ZINC001457215357 1066792144 /nfs/dbraw/zinc/79/21/44/1066792144.db2.gz SKRHOCHFZDNKJB-SANMLTNESA-N 0 0 458.514 4.776 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cs1 ZINC001492672818 1066805483 /nfs/dbraw/zinc/80/54/83/1066805483.db2.gz GNWJAQINSHHYRC-UYAOXDASSA-N 0 0 470.687 4.994 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCCSc2ccccc2)cs1 ZINC001492673238 1066806262 /nfs/dbraw/zinc/80/62/62/1066806262.db2.gz OVFDSZLGUATPMQ-UHFFFAOYSA-N 0 0 452.653 4.946 20 30 JJEDRN N#Cc1ccc(OC2CN(C(=O)c3ccccc3C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001447479808 1066813434 /nfs/dbraw/zinc/81/34/34/1066813434.db2.gz SWFGHQUPVWQYDO-UHFFFAOYSA-N 0 0 451.309 4.999 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)Nc1cc(Br)c(F)cc1Cl)c1ccccc1 ZINC001457391716 1066820903 /nfs/dbraw/zinc/82/09/03/1066820903.db2.gz WXGVRPNRLSFKOL-UHFFFAOYSA-N 0 0 452.711 4.907 20 30 JJEDRN N#Cc1ccccc1OCC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447570506 1066823707 /nfs/dbraw/zinc/82/37/07/1066823707.db2.gz DRXPGYQPWISGOL-QFIPXVFZSA-N 0 0 454.448 4.718 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001447629417 1066831470 /nfs/dbraw/zinc/83/14/70/1066831470.db2.gz DJQLKCBWXGYXOO-FQEVSTJZSA-N 0 0 457.452 4.670 20 30 JJEDRN Cc1nc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)cs1 ZINC001492687428 1066832715 /nfs/dbraw/zinc/83/27/15/1066832715.db2.gz XIADEWISQNQJQH-HJPURHCSSA-N 0 0 454.575 4.695 20 30 JJEDRN CCCc1c(NC(=O)COc2cccc(Br)c2C#N)cnn1-c1ccc(C)cc1 ZINC001447689367 1066842101 /nfs/dbraw/zinc/84/21/01/1066842101.db2.gz PNJOXDFHOXUMCQ-UHFFFAOYSA-N 0 0 453.340 4.785 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@@H]2C(C)C)s1 ZINC001492695978 1066844698 /nfs/dbraw/zinc/84/46/98/1066844698.db2.gz SNDOZPHBSODRNQ-IFMALSPDSA-N 0 0 450.612 4.669 20 30 JJEDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc2[N+](=O)[O-])C1 ZINC001457509237 1066846715 /nfs/dbraw/zinc/84/67/15/1066846715.db2.gz NMUXFKVBVINBJI-IRXDYDNUSA-N 0 0 459.468 4.877 20 30 JJEDRN C[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(I)cc1 ZINC001457511160 1066847126 /nfs/dbraw/zinc/84/71/26/1066847126.db2.gz WVAWDRNPKSYXFK-ZDUSSCGKSA-N 0 0 457.233 4.581 20 30 JJEDRN CC[C@@H](c1nnc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)s1)c1ccccc1 ZINC001457531955 1066852751 /nfs/dbraw/zinc/85/27/51/1066852751.db2.gz MVXHGVSRHCXAJK-LJQANCHMSA-N 0 0 454.596 4.669 20 30 JJEDRN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c3ccccc3n2)cc1 ZINC001457529541 1066852983 /nfs/dbraw/zinc/85/29/83/1066852983.db2.gz DKBPNBWOGCQVNC-FQEVSTJZSA-N 0 0 456.546 4.795 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001447755901 1066854368 /nfs/dbraw/zinc/85/43/68/1066854368.db2.gz XFFFPKNRNQWORL-GOSISDBHSA-N 0 0 456.505 4.988 20 30 JJEDRN Cc1ncc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)s1 ZINC001492700154 1066855544 /nfs/dbraw/zinc/85/55/44/1066855544.db2.gz FVSRCDRMWIYCQA-GOSISDBHSA-N 0 0 481.782 4.616 20 30 JJEDRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@](C)(C#N)C2)s1 ZINC001492700502 1066856818 /nfs/dbraw/zinc/85/68/18/1066856818.db2.gz OLWKIEWTZHFSKY-GOSISDBHSA-N 0 0 463.430 4.712 20 30 JJEDRN Cc1ncc(Cn2c(CC(C)(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC001492701066 1066857443 /nfs/dbraw/zinc/85/74/43/1066857443.db2.gz NDFDRFJKNIYGLK-UHFFFAOYSA-N 0 0 450.612 4.599 20 30 JJEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3nccnc3SCc3ccccc3)ccc21 ZINC001447796695 1066860252 /nfs/dbraw/zinc/86/02/52/1066860252.db2.gz ZWMZXGQKEGGHHL-UHFFFAOYSA-N 0 0 457.559 4.604 20 30 JJEDRN Cc1nccn1CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CC#N ZINC001492705983 1066866852 /nfs/dbraw/zinc/86/68/52/1066866852.db2.gz YLJDJSQVJPZDNT-OAHLLOKOSA-N 0 0 474.382 4.570 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Br)c3)CC2=O)cc1Cl ZINC001457618636 1066881077 /nfs/dbraw/zinc/88/10/77/1066881077.db2.gz MHDBEDHLXKQBLL-NSHDSACASA-N 0 0 453.123 4.619 20 30 JJEDRN CCCc1c(NC(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)cnn1-c1cccc(C#N)c1 ZINC001447958004 1066882700 /nfs/dbraw/zinc/88/27/00/1066882700.db2.gz ILYHOFBUBGIGSX-UHFFFAOYSA-N 0 0 455.396 4.814 20 30 JJEDRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(CC#N)ccn3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457628779 1066885577 /nfs/dbraw/zinc/88/55/77/1066885577.db2.gz BCTHZSWFMZRQMR-ZEQKJWHPSA-N 0 0 454.530 4.588 20 30 JJEDRN Cc1nn(C)c(C)c1Cn1c(-c2cn(C)c3ccccc23)nnc1N(CCC#N)CCC(C)C ZINC001492721851 1066893277 /nfs/dbraw/zinc/89/32/77/1066893277.db2.gz KVEYUOIWRQJVPY-UHFFFAOYSA-N 0 0 458.614 4.602 20 30 JJEDRN CCCCOc1ccc(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 ZINC001448156793 1066904916 /nfs/dbraw/zinc/90/49/16/1066904916.db2.gz KXDIPQWUBZWHMK-JOCHJYFZSA-N 0 0 450.539 4.605 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@H](O)c2cccc(Br)c2)cc1 ZINC001448185536 1066907519 /nfs/dbraw/zinc/90/75/19/1066907519.db2.gz DAUHBKXEWYDPGB-HXUWFJFHSA-N 0 0 455.283 4.716 20 30 JJEDRN N#Cc1cccnc1NCc1cccc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c1 ZINC001448198343 1066909456 /nfs/dbraw/zinc/90/94/56/1066909456.db2.gz TWSHNAWKPNHBDD-UHFFFAOYSA-N 0 0 453.424 4.709 20 30 JJEDRN C=CCc1ccc(OCC(=O)Nc2cc(I)ccc2Cl)c(OC)c1 ZINC001457751975 1066911103 /nfs/dbraw/zinc/91/11/03/1066911103.db2.gz FBGRMZMTWCYTLG-UHFFFAOYSA-N 0 0 457.695 4.699 20 30 JJEDRN Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N(CCC(F)(F)F)CC2CC2)n1 ZINC001492760732 1066933616 /nfs/dbraw/zinc/93/36/16/1066933616.db2.gz PFBYGMVDENJHRK-UHFFFAOYSA-N 0 0 471.531 4.889 20 30 JJEDRN Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)n1 ZINC001492762500 1066935421 /nfs/dbraw/zinc/93/54/21/1066935421.db2.gz UFLANKPLUIPKIN-IBGZPJMESA-N 0 0 461.614 4.505 20 30 JJEDRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cc3Cl)CC2)s1 ZINC001492766559 1066939017 /nfs/dbraw/zinc/93/90/17/1066939017.db2.gz PRHHSWVYZAXLIO-UHFFFAOYSA-N 0 0 499.088 4.511 20 30 JJEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001448577249 1066939851 /nfs/dbraw/zinc/93/98/51/1066939851.db2.gz MULWVGYIYOETRU-LAUBAEHRSA-N 0 0 457.596 4.792 20 30 JJEDRN Cc1nnc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(CCC#N)CC2CC2)s1 ZINC001492773503 1066945349 /nfs/dbraw/zinc/94/53/49/1066945349.db2.gz IPYAFSMMHKCLOV-UHFFFAOYSA-N 0 0 478.409 4.502 20 30 JJEDRN COc1ccccc1COC1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC001457987915 1066952913 /nfs/dbraw/zinc/95/29/13/1066952913.db2.gz FSZYBVAGYWTKDT-UHFFFAOYSA-N 0 0 456.542 4.967 20 30 JJEDRN O=C(c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)N(O)Cc1ccccc1Cl ZINC001458003126 1066955812 /nfs/dbraw/zinc/95/58/12/1066955812.db2.gz ODYVWMCYZRTQBD-UHFFFAOYSA-N 0 0 456.951 4.513 20 30 JJEDRN O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)N(O)Cc1ccc(F)cc1 ZINC001458017348 1066957773 /nfs/dbraw/zinc/95/77/73/1066957773.db2.gz PRGIZGYZISWGBW-UHFFFAOYSA-N 0 0 457.299 4.801 20 30 JJEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CN(Cc2ccccc2)c2ccccc2)CC1 ZINC001448821543 1066959828 /nfs/dbraw/zinc/95/98/28/1066959828.db2.gz BKFQEURINIJQHB-AREMUKBSSA-N 0 0 458.993 4.756 20 30 JJEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC001448831344 1066960893 /nfs/dbraw/zinc/96/08/93/1066960893.db2.gz OKIRMGMXTQBGCW-LJQANCHMSA-N 0 0 457.759 4.606 20 30 JJEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC001448834890 1066961322 /nfs/dbraw/zinc/96/13/22/1066961322.db2.gz QZZHTBKPZJSJLM-SFHVURJKSA-N 0 0 453.167 4.779 20 30 JJEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)/C=C\c3cccc(-c4ccc(Cl)cc4)c3)C2=O)cc1 ZINC001448839137 1066961584 /nfs/dbraw/zinc/96/15/84/1066961584.db2.gz GTOWTMQLNJWGEJ-FJJUSPRBSA-N 0 0 455.945 4.809 20 30 JJEDRN CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001546010422 1066968851 /nfs/dbraw/zinc/96/88/51/1066968851.db2.gz LQONAHPFPOSHQF-LJQANCHMSA-N 0 0 470.618 4.514 20 30 JJEDRN O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC001458080085 1066969602 /nfs/dbraw/zinc/96/96/02/1066969602.db2.gz JLFYIOMKAYTQEC-UHFFFAOYSA-N 0 0 455.252 4.760 20 30 JJEDRN CCCn1c(Sc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)nc2cc(Cl)ccc2c1=O ZINC001458089094 1066971382 /nfs/dbraw/zinc/97/13/82/1066971382.db2.gz JXFLGZOQBTZXPA-UHFFFAOYSA-N 0 0 451.895 4.939 20 30 JJEDRN N#Cc1cc(NC(=O)/C=C/c2ccccc2OCc2ccccc2)ccc1N1CCC(O)CC1 ZINC001545718340 1066972236 /nfs/dbraw/zinc/97/22/36/1066972236.db2.gz DCGFVUGIMGJKSX-JLHYYAGUSA-N 0 0 453.542 4.750 20 30 JJEDRN CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545720137 1066974515 /nfs/dbraw/zinc/97/45/15/1066974515.db2.gz RKZKSEJUJRDLON-FCEUIQTBSA-N 0 0 468.646 4.965 20 30 JJEDRN COc1cc(-c2noc(CCC(=O)N[C@@H](CCC#N)c3ccccc3)n2)cc(Cl)c1OC ZINC001458148442 1066988445 /nfs/dbraw/zinc/98/84/45/1066988445.db2.gz QJGNDUQFMISGBV-SFHVURJKSA-N 0 0 454.914 4.501 20 30 JJEDRN C=CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)cc1 ZINC001449220910 1066990568 /nfs/dbraw/zinc/99/05/68/1066990568.db2.gz BGBWLXVBSKHIBR-UHFFFAOYSA-N 0 0 450.560 4.599 20 30 JJEDRN COc1cc(OC)c2ncc(C#N)c(N[C@H]3CCN(c4ccc(Br)cc4)C3)c2c1 ZINC001458165613 1066993983 /nfs/dbraw/zinc/99/39/83/1066993983.db2.gz IZBGLULFBMTQGR-INIZCTEOSA-N 0 0 453.340 4.577 20 30 JJEDRN CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001546013138 1067000483 /nfs/dbraw/zinc/00/04/83/1067000483.db2.gz VMRNWFCDZHJLFY-TZIWHRDSSA-N 0 0 482.629 4.658 20 30 JJEDRN CC[C@@H](c1nnc(N2CCC(CC#N)CC2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545738939 1067004455 /nfs/dbraw/zinc/00/44/55/1067004455.db2.gz QNGKWPKXACEXFL-JOCHJYFZSA-N 0 0 466.630 4.865 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545741337 1067007454 /nfs/dbraw/zinc/00/74/54/1067007454.db2.gz OPPCCALXHAYCTE-IPVFLDMMSA-N 0 0 484.620 4.811 20 30 JJEDRN CC[C@H](c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545741447 1067007826 /nfs/dbraw/zinc/00/78/26/1067007826.db2.gz QNZFKDPZOFIKAP-HRAATJIYSA-N 0 0 478.519 4.980 20 30 JJEDRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N)c1ccccc1 ZINC001546014654 1067011311 /nfs/dbraw/zinc/01/13/11/1067011311.db2.gz LVXIPEPDFWJWGY-CZAYHTPWSA-N 0 0 466.630 4.981 20 30 JJEDRN CC(C)(C)n1nc(Br)c2c1ncnc2Oc1ccc(Br)cc1C#N ZINC001458250345 1067012081 /nfs/dbraw/zinc/01/20/81/1067012081.db2.gz BVAXGYCNBPYZSK-UHFFFAOYSA-N 0 0 451.122 4.770 20 30 JJEDRN N#Cc1cccc(-c2cc(C(=O)NC3CCN(Cc4cc(Cl)cc(Cl)c4)CC3)on2)c1 ZINC001458255638 1067013980 /nfs/dbraw/zinc/01/39/80/1067013980.db2.gz HGNKZIYGMONRFK-UHFFFAOYSA-N 0 0 455.345 4.914 20 30 JJEDRN CC[C@H](c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545746962 1067016070 /nfs/dbraw/zinc/01/60/70/1067016070.db2.gz XPXUGIALVCBSSG-LVXARBLLSA-N 0 0 466.630 4.865 20 30 JJEDRN C=CCC1(NC(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)CCCCC1 ZINC001449598086 1067016971 /nfs/dbraw/zinc/01/69/71/1067016971.db2.gz CPIRCRABCRYEKU-UHFFFAOYSA-N 0 0 452.374 4.689 20 30 JJEDRN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001449643112 1067018790 /nfs/dbraw/zinc/01/87/90/1067018790.db2.gz ZFHUTLABYGHDDU-CYBMUJFWSA-N 0 0 456.167 4.517 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@@](C)(C#N)C(C)(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC001458277889 1067019523 /nfs/dbraw/zinc/01/95/23/1067019523.db2.gz CJTVBUTYKKJSJV-FQEVSTJZSA-N 0 0 452.411 4.975 20 30 JJEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC001458279083 1067019995 /nfs/dbraw/zinc/01/99/95/1067019995.db2.gz FELAELDGZOEGKC-JOCHJYFZSA-N 0 0 457.987 4.776 20 30 JJEDRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001458297174 1067024812 /nfs/dbraw/zinc/02/48/12/1067024812.db2.gz JJKKNJTZEPUJNA-UHFFFAOYSA-N 0 0 452.576 4.552 20 30 JJEDRN N#Cc1cc(F)c(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1Br ZINC001458311685 1067026855 /nfs/dbraw/zinc/02/68/55/1067026855.db2.gz VYKWOZGGFNWRQC-UHFFFAOYSA-N 0 0 452.711 4.674 20 30 JJEDRN N#Cc1c(C#N)c2c(nc1NC[C@H](CO)Cc1cccc(Br)c1)CCCCCC2 ZINC001458319960 1067029453 /nfs/dbraw/zinc/02/94/53/1067029453.db2.gz YSQPUERVMOUBSE-QGZVFWFLSA-N 0 0 453.384 4.510 20 30 JJEDRN C[C@H](CCO)n1c2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2nc1C(F)(F)F ZINC001449843437 1067031452 /nfs/dbraw/zinc/03/14/52/1067031452.db2.gz VEPMIYYEQQPYSA-CQSZACIVSA-N 0 0 455.440 4.729 20 30 JJEDRN C[C@@H](CCO)n1c2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2nc1C(F)(F)F ZINC001449843436 1067031607 /nfs/dbraw/zinc/03/16/07/1067031607.db2.gz VEPMIYYEQQPYSA-AWEZNQCLSA-N 0 0 455.440 4.729 20 30 JJEDRN C=CC1(CC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC001450025514 1067042475 /nfs/dbraw/zinc/04/24/75/1067042475.db2.gz HGLZURQASNOJRC-UHFFFAOYSA-N 0 0 459.534 4.681 20 30 JJEDRN CCNc1ccc(C#N)cc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001545759793 1067043078 /nfs/dbraw/zinc/04/30/78/1067043078.db2.gz HNEPDLAYUDMVLX-KRWDZBQOSA-N 0 0 454.530 4.856 20 30 JJEDRN Cc1cc(-c2noc([C@H](C)NC(=O)c3cccc(CNc4ncccc4C#N)c3)n2)ccc1F ZINC001545762600 1067046331 /nfs/dbraw/zinc/04/63/31/1067046331.db2.gz QHZZRSDSRLOWEM-INIZCTEOSA-N 0 0 456.481 4.554 20 30 JJEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(SC)c2C)cc1[N+](=O)[O-] ZINC001458378730 1067046660 /nfs/dbraw/zinc/04/66/60/1067046660.db2.gz VHMWSZRWTGOICG-UHFFFAOYSA-N 0 0 451.508 4.663 20 30 JJEDRN N#Cc1cc(C(F)(F)F)cc(N2CC[C@H](Cc3cccc(I)c3)C2)n1 ZINC001458400012 1067052373 /nfs/dbraw/zinc/05/23/73/1067052373.db2.gz NBALSEXANBFSHK-CYBMUJFWSA-N 0 0 457.237 4.646 20 30 JJEDRN N#Cc1cc(N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)ncc1Br ZINC001458400451 1067052771 /nfs/dbraw/zinc/05/27/71/1067052771.db2.gz IDFGSFYROSMQHC-RXVVDRJESA-N 0 0 454.299 4.718 20 30 JJEDRN C[C@@H]1CN(C(=O)Cn2nc(C(F)F)cc2C(F)F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450158611 1067056141 /nfs/dbraw/zinc/05/61/41/1067056141.db2.gz XSDCDBGKDNFSLV-MEBBXXQBSA-N 0 0 453.358 4.766 20 30 JJEDRN N#C[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(OC(F)(F)F)cc1 ZINC001458438325 1067060158 /nfs/dbraw/zinc/06/01/58/1067060158.db2.gz GHDDZTXJNDFNIX-QGZVFWFLSA-N 0 0 454.330 4.784 20 30 JJEDRN N#C[C@@H](NC(=O)c1cc2c(cncc2Br)s1)c1ccc(OC(F)(F)F)cc1 ZINC001458440307 1067061056 /nfs/dbraw/zinc/06/10/56/1067061056.db2.gz PRXJJPUIHQXRLC-CYBMUJFWSA-N 0 0 456.243 4.952 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@@H](C#N)c3cccc(Br)c3)ccc21 ZINC001458446562 1067063213 /nfs/dbraw/zinc/06/32/13/1067063213.db2.gz HKKBPMKZBHPZLK-SFHVURJKSA-N 0 0 456.340 4.741 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC ZINC001545774138 1067065046 /nfs/dbraw/zinc/06/50/46/1067065046.db2.gz FFFTURDSLHEKOS-UHFFFAOYSA-N 0 0 498.006 4.536 20 30 JJEDRN C#C[C@@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1ccc(Br)cc1 ZINC001450276642 1067068405 /nfs/dbraw/zinc/06/84/05/1067068405.db2.gz SWDUGWVZHDUTOE-OAHLLOKOSA-N 0 0 450.105 4.936 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2CCOC2)CC1)SC ZINC001545775820 1067069464 /nfs/dbraw/zinc/06/94/64/1067069464.db2.gz LJKAVHDBFXGHCY-JOCHJYFZSA-N 0 0 453.656 4.991 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC(NC(C)=O)CC1)SC ZINC001545775827 1067069918 /nfs/dbraw/zinc/06/99/18/1067069918.db2.gz LTBBMXVDKBIURD-UHFFFAOYSA-N 0 0 468.671 4.622 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C ZINC001545779412 1067074228 /nfs/dbraw/zinc/07/42/28/1067074228.db2.gz NLYAVEVXGOGSAM-XMMPIXPASA-N 0 0 467.618 4.554 20 30 JJEDRN N#C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1cccc(Cl)c1Cl ZINC001458506171 1067078044 /nfs/dbraw/zinc/07/80/44/1067078044.db2.gz OIWAVBRWYKQTGJ-YJYMSZOUSA-N 0 0 452.750 4.957 20 30 JJEDRN CCn1c(NC(=O)c2ccc(OC(F)(F)F)cc2Br)nc2cc(C#N)ccc21 ZINC001458507651 1067078259 /nfs/dbraw/zinc/07/82/59/1067078259.db2.gz JDOWCJYWAWJTDE-UHFFFAOYSA-N 0 0 453.218 4.841 20 30 JJEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC001450448377 1067081263 /nfs/dbraw/zinc/08/12/63/1067081263.db2.gz YPMQDZLPXKFXAX-OFVILXPXSA-N 0 0 450.897 4.944 20 30 JJEDRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545788356 1067084666 /nfs/dbraw/zinc/08/46/66/1067084666.db2.gz RMSQGZLHIYBZRY-GOSISDBHSA-N 0 0 472.609 4.687 20 30 JJEDRN CCC(CC)(Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1)SC ZINC001545789656 1067086190 /nfs/dbraw/zinc/08/61/90/1067086190.db2.gz OPPHPRHNZJXLQC-HSZRJFAPSA-N 0 0 451.644 4.568 20 30 JJEDRN CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1)SC ZINC001545794470 1067092702 /nfs/dbraw/zinc/09/27/02/1067092702.db2.gz DQGLGZYDRZWOIU-OAQYLSRUSA-N 0 0 457.644 4.512 20 30 JJEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 ZINC001458617708 1067096327 /nfs/dbraw/zinc/09/63/27/1067096327.db2.gz CNADYBZKAYEQMX-VQTJNVASSA-N 0 0 455.505 4.571 20 30 JJEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 ZINC001458617671 1067096589 /nfs/dbraw/zinc/09/65/89/1067096589.db2.gz CNADYBZKAYEQMX-PMACEKPBSA-N 0 0 455.505 4.571 20 30 JJEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 ZINC001458624567 1067098139 /nfs/dbraw/zinc/09/81/39/1067098139.db2.gz LVSJNUPLRIZYNH-NRFANRHFSA-N 0 0 456.571 4.804 20 30 JJEDRN N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2)ccn1 ZINC001450669601 1067100658 /nfs/dbraw/zinc/10/06/58/1067100658.db2.gz DPUPGBYIKSWTKF-KRWDZBQOSA-N 0 0 459.481 4.767 20 30 JJEDRN COc1cc(C#N)ccc1NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001458658217 1067101883 /nfs/dbraw/zinc/10/18/83/1067101883.db2.gz MFBRXJPFAXOOJU-UHFFFAOYSA-N 0 0 451.324 4.646 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC ZINC001545798971 1067102978 /nfs/dbraw/zinc/10/29/78/1067102978.db2.gz UVLCUXQFQVNGFB-DEOSSOPVSA-N 0 0 491.615 4.519 20 30 JJEDRN CCC(CC)[C@H](CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)OC ZINC001545800235 1067106679 /nfs/dbraw/zinc/10/66/79/1067106679.db2.gz COYGRFLZKMUWSK-QHCPKHFHSA-N 0 0 471.049 4.848 20 30 JJEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001458680678 1067107540 /nfs/dbraw/zinc/10/75/40/1067107540.db2.gz FHUWWYPRFLIMOG-UHFFFAOYSA-N 0 0 456.731 4.534 20 30 JJEDRN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC001458728235 1067120174 /nfs/dbraw/zinc/12/01/74/1067120174.db2.gz AWBMDMRBSPRGQH-IBGZPJMESA-N 0 0 457.235 4.711 20 30 JJEDRN CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C ZINC001458752594 1067131632 /nfs/dbraw/zinc/13/16/32/1067131632.db2.gz MATMBMVEGFEVRI-DOTOQJQBSA-N 0 0 459.685 4.795 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2C#N)CC[C@H]1c1ccc(F)cc1 ZINC001451067811 1067144748 /nfs/dbraw/zinc/14/47/48/1067144748.db2.gz VRMDOCDZSXZZEE-PGRDOPGGSA-N 0 0 462.525 4.702 20 30 JJEDRN COc1cccc([C@H](OC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c2ccncc2)c1 ZINC001458807319 1067151296 /nfs/dbraw/zinc/15/12/96/1067151296.db2.gz HFFLRVWBAPMYBS-FCHUYYIVSA-N 0 0 453.539 4.700 20 30 JJEDRN C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2C)nc2sc3c(c2c1=O)CCCC3 ZINC001458817736 1067154447 /nfs/dbraw/zinc/15/44/47/1067154447.db2.gz JXNHRKDTHBDRSW-INIZCTEOSA-N 0 0 453.633 4.628 20 30 JJEDRN C#CCOc1ccc(COC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC001458822317 1067156535 /nfs/dbraw/zinc/15/65/35/1067156535.db2.gz GNZDMXYNFMYBLC-UHFFFAOYSA-N 0 0 452.860 4.726 20 30 JJEDRN C=CCn1c(S[C@@H](Cc2c(F)cccc2F)C(C)=O)nnc1[C@@H]1COc2ccccc2O1 ZINC001458825425 1067158547 /nfs/dbraw/zinc/15/85/47/1067158547.db2.gz HPEIQAOVSDGQLL-SFTDATJTSA-N 0 0 457.502 4.547 20 30 JJEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n1 ZINC001458834036 1067162458 /nfs/dbraw/zinc/16/24/58/1067162458.db2.gz HAQNPMJKRUAUOE-UHFFFAOYSA-N 0 0 451.914 4.765 20 30 JJEDRN CCC(CC)c1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C)(C#N)CC2)on1 ZINC001545823550 1067167585 /nfs/dbraw/zinc/16/75/85/1067167585.db2.gz POXGNPLGCBDJRH-UHFFFAOYSA-N 0 0 463.542 4.923 20 30 JJEDRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)on1 ZINC001545824593 1067169250 /nfs/dbraw/zinc/16/92/50/1067169250.db2.gz CRQDSFWBWKXADI-DEOSSOPVSA-N 0 0 462.598 4.866 20 30 JJEDRN C#Cc1cccc(CNC(=O)[C@@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001451435553 1067172044 /nfs/dbraw/zinc/17/20/44/1067172044.db2.gz BCMORBOQBIVOFP-QFIPXVFZSA-N 0 0 452.554 4.849 20 30 JJEDRN COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC(=O)N2C)cc1 ZINC001458853088 1067173815 /nfs/dbraw/zinc/17/38/15/1067173815.db2.gz QXMGSBOPNZWENN-KTERKQDUSA-N 0 0 453.542 4.631 20 30 JJEDRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC(=O)N2C)cc1 ZINC001458853086 1067173842 /nfs/dbraw/zinc/17/38/42/1067173842.db2.gz QXMGSBOPNZWENN-BOVDGQEDSA-N 0 0 453.542 4.631 20 30 JJEDRN Cc1cc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1NC(=O)c1cccs1 ZINC001458854968 1067174317 /nfs/dbraw/zinc/17/43/17/1067174317.db2.gz KQFZLCRPHAFMQH-UHFFFAOYSA-N 0 0 455.543 4.511 20 30 JJEDRN CCC#C[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCN(CC)C3 ZINC001458857526 1067175059 /nfs/dbraw/zinc/17/50/59/1067175059.db2.gz ABBMMSGMGVSPIJ-INIZCTEOSA-N 0 0 453.633 4.728 20 30 JJEDRN CN(C)c1cc(F)c(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC001458873717 1067181714 /nfs/dbraw/zinc/18/17/14/1067181714.db2.gz DVPLTABNXVHGRP-OAHLLOKOSA-N 0 0 453.314 4.852 20 30 JJEDRN COCCCn1c(SCC#Cc2ccccc2Cl)nnc1-c1ccc(OC)c(OC)c1 ZINC001458877015 1067183091 /nfs/dbraw/zinc/18/30/91/1067183091.db2.gz MYUHFKUNIORGDJ-UHFFFAOYSA-N 0 0 457.983 4.796 20 30 JJEDRN CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)cc1 ZINC001451652626 1067183154 /nfs/dbraw/zinc/18/31/54/1067183154.db2.gz DDCZESWKSQVFRZ-UHFFFAOYSA-N 0 0 457.964 4.523 20 30 JJEDRN COCCOc1ccc(C#N)cc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC001458878331 1067183723 /nfs/dbraw/zinc/18/37/23/1067183723.db2.gz MFVALVSSDFHTFD-UHFFFAOYSA-N 0 0 459.333 4.696 20 30 JJEDRN N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)Cc2nnc(C3CCOCC3)[nH]2)cc1 ZINC001451658991 1067184677 /nfs/dbraw/zinc/18/46/77/1067184677.db2.gz QZBMEQLOJVBLDU-UHFFFAOYSA-N 0 0 453.955 4.556 20 30 JJEDRN Cc1ccccc1OCc1nnc(SCC(=O)Cc2ccc(C#N)cc2)n1-c1ccccc1 ZINC001458891916 1067187776 /nfs/dbraw/zinc/18/77/76/1067187776.db2.gz WMHOMUPBOCTVIQ-UHFFFAOYSA-N 0 0 454.555 4.930 20 30 JJEDRN CCOC(=O)c1ccc(C#N)c(SCC(=O)NCCC(c2ccccc2)c2ccccc2)n1 ZINC001458908295 1067193127 /nfs/dbraw/zinc/19/31/27/1067193127.db2.gz SDSFHDWVBMNJTD-UHFFFAOYSA-N 0 0 459.571 4.560 20 30 JJEDRN CCOCn1nc(C)c(C[C@@H](C)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c1C ZINC001451978577 1067202325 /nfs/dbraw/zinc/20/23/25/1067202325.db2.gz YBACNGCSHGDPNJ-HZPDHXFCSA-N 0 0 450.505 4.632 20 30 JJEDRN CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001451989577 1067202529 /nfs/dbraw/zinc/20/25/29/1067202529.db2.gz AQBBDUYSAVCTIS-UHFFFAOYSA-N 0 0 452.517 4.747 20 30 JJEDRN C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001458966480 1067212550 /nfs/dbraw/zinc/21/25/50/1067212550.db2.gz FAFMPEBCVGZCDL-GFCCVEGCSA-N 0 0 452.305 4.924 20 30 JJEDRN C=CCn1c(SCC(=O)Cc2ccccc2Br)nnc1-c1cccc(OC)c1 ZINC001458983831 1067218723 /nfs/dbraw/zinc/21/87/23/1067218723.db2.gz XUQFPQVACGYEOD-UHFFFAOYSA-N 0 0 458.381 4.806 20 30 JJEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccn1 ZINC001458987372 1067220531 /nfs/dbraw/zinc/22/05/31/1067220531.db2.gz WYUISTNNPBKLSO-AWEZNQCLSA-N 0 0 458.385 4.716 20 30 JJEDRN N#Cc1ccc(C2(NC(=O)C[C@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)CCC2)cc1 ZINC001452450541 1067224716 /nfs/dbraw/zinc/22/47/16/1067224716.db2.gz CAFAGDDYHAHKTL-DEOSSOPVSA-N 0 0 454.530 4.646 20 30 JJEDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459017303 1067229785 /nfs/dbraw/zinc/22/97/85/1067229785.db2.gz ZASGAZVLSPNDOO-AWEZNQCLSA-N 0 0 454.298 4.941 20 30 JJEDRN CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001546041717 1067240318 /nfs/dbraw/zinc/24/03/18/1067240318.db2.gz LTSKWDKDYJEKDF-NRFANRHFSA-N 0 0 451.596 4.683 20 30 JJEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C(C)(F)F)c2)cc1[N+](=O)[O-] ZINC001459082109 1067247768 /nfs/dbraw/zinc/24/77/68/1067247768.db2.gz XABHDIKJBCQDFE-UHFFFAOYSA-N 0 0 455.421 4.745 20 30 JJEDRN C[C@@H](Sc1nnc2ccc(Br)cn21)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC001459090496 1067249244 /nfs/dbraw/zinc/24/92/44/1067249244.db2.gz UPYGGCQBVPHZMO-NCUBORBFSA-N 0 0 457.397 4.853 20 30 JJEDRN Cc1ccc(I)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001459125624 1067256551 /nfs/dbraw/zinc/25/65/51/1067256551.db2.gz QRPNXJFKWZZDSP-UHFFFAOYSA-N 0 0 458.255 4.896 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@](F)(C#N)C2)O1 ZINC001546045031 1067257638 /nfs/dbraw/zinc/25/76/38/1067257638.db2.gz JXLQGDSDNYHIJC-MFVTWZDWSA-N 0 0 455.578 4.825 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)nnc1-c1ccc(Cl)cc1 ZINC001452897245 1067261211 /nfs/dbraw/zinc/26/12/11/1067261211.db2.gz BWMAPHDNSVSOEE-AEFFLSMTSA-N 0 0 477.030 4.503 20 30 JJEDRN COc1cc(CNC(=O)COc2c(Cl)cc(F)cc2C#N)ccc1OCc1ccccc1 ZINC001459170311 1067265570 /nfs/dbraw/zinc/26/55/70/1067265570.db2.gz HTWLGRLEIYTTGJ-UHFFFAOYSA-N 0 0 454.885 4.634 20 30 JJEDRN CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC001452950270 1067266502 /nfs/dbraw/zinc/26/65/02/1067266502.db2.gz YBRCRYBALXHEGR-VWLOTQADSA-N 0 0 456.933 4.870 20 30 JJEDRN CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001452947655 1067266563 /nfs/dbraw/zinc/26/65/63/1067266563.db2.gz LUYALQCESBWTNF-JOCHJYFZSA-N 0 0 453.325 4.902 20 30 JJEDRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001452956368 1067267620 /nfs/dbraw/zinc/26/76/20/1067267620.db2.gz RBFBCCRABXIJPB-FQEVSTJZSA-N 0 0 456.594 4.676 20 30 JJEDRN N#Cc1cccnc1OC1CCC(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC001459211847 1067271929 /nfs/dbraw/zinc/27/19/29/1067271929.db2.gz QUDZALVSLAAYFT-UHFFFAOYSA-N 0 0 456.333 4.566 20 30 JJEDRN N#CCCn1ncc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1-c1ccccc1 ZINC001452999932 1067273914 /nfs/dbraw/zinc/27/39/14/1067273914.db2.gz QESXXAOFUXKLOR-UHFFFAOYSA-N 0 0 454.361 4.733 20 30 JJEDRN CC1(C)CC(/C=C/c2ccccn2)=Cc2c(C#N)c(NC(=O)CN3CCSCC3)sc21 ZINC001459313429 1067290874 /nfs/dbraw/zinc/29/08/74/1067290874.db2.gz NCGZXCNYBSCFEP-VOTSOKGWSA-N 0 0 450.633 4.780 20 30 JJEDRN C=CCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)Cc1ccc(OC)cc1 ZINC001459347201 1067299428 /nfs/dbraw/zinc/29/94/28/1067299428.db2.gz YLWSKLRSDTZKBZ-KRWDZBQOSA-N 0 0 456.608 4.685 20 30 JJEDRN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001453534883 1067311654 /nfs/dbraw/zinc/31/16/54/1067311654.db2.gz APJIVFJCRDUSKH-ULQDDVLXSA-N 0 0 451.530 4.509 20 30 JJEDRN Cc1cc(N(CCC#N)C(=O)CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)ccc1Cl ZINC001459424455 1067322339 /nfs/dbraw/zinc/32/23/39/1067322339.db2.gz HMGFAWCJEWYICO-OAQYLSRUSA-N 0 0 450.341 4.761 20 30 JJEDRN O=C(CN1CCO[C@@H](c2ccccc2F)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459429622 1067323881 /nfs/dbraw/zinc/32/38/81/1067323881.db2.gz UUTXTYKHHBVUIA-QGZVFWFLSA-N 0 0 450.354 4.875 20 30 JJEDRN CN(C(=O)CN1CCC(Oc2cccc(C#N)c2)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001459452409 1067327114 /nfs/dbraw/zinc/32/71/14/1067327114.db2.gz UKFXMZLMUYYUGF-NDEPHWFRSA-N 0 0 457.549 4.789 20 30 JJEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN(C)Cc3ccc(O)c(OC)c3)sc2C1 ZINC001459454676 1067327368 /nfs/dbraw/zinc/32/73/68/1067327368.db2.gz GELITYPIXJIJTO-KRWDZBQOSA-N 0 0 455.624 4.946 20 30 JJEDRN COc1cc(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc(OC)c1OC ZINC001459483634 1067336397 /nfs/dbraw/zinc/33/63/97/1067336397.db2.gz CUTXRLBAIDBBML-UHFFFAOYSA-N 0 0 454.571 4.583 20 30 JJEDRN C#CCN(Cc1nc(Cc2ccccc2C)no1)[C@H]1CCOc2ccc(Br)cc21 ZINC001459506416 1067340196 /nfs/dbraw/zinc/34/01/96/1067340196.db2.gz FFIJUMLZYMDREE-FQEVSTJZSA-N 0 0 452.352 4.690 20 30 JJEDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001459513983 1067342326 /nfs/dbraw/zinc/34/23/26/1067342326.db2.gz JRNIFFOBYFRKQQ-PKTZIBPZSA-N 0 0 459.550 4.620 20 30 JJEDRN 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Cc1ccccc1Nc1nc(N)nc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC001459678652 1067381497 /nfs/dbraw/zinc/38/14/97/1067381497.db2.gz XFFCKOORALKMGC-UHFFFAOYSA-N 0 0 453.525 4.719 20 30 JJEDRN Cc1cc(N(CCC#N)C(=O)CN2CCC(N3c4ccccc4C[C@H]3C)CC2)ccc1Cl ZINC001459708979 1067390705 /nfs/dbraw/zinc/39/07/05/1067390705.db2.gz VTDYWAANSJFIDG-HXUWFJFHSA-N 0 0 451.014 4.811 20 30 JJEDRN N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(COc3ccc(Cl)nc3)CC2)c1 ZINC001459737635 1067400004 /nfs/dbraw/zinc/40/00/04/1067400004.db2.gz IRSYUXQVNIVAMY-UHFFFAOYSA-N 0 0 451.910 4.710 20 30 JJEDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001459821110 1067438775 /nfs/dbraw/zinc/43/87/75/1067438775.db2.gz OZHAQPJSJXLMHX-OAQYLSRUSA-N 0 0 459.999 4.717 20 30 JJEDRN CC1(C)CCCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)[C@H]1C#N ZINC001459842089 1067449048 /nfs/dbraw/zinc/44/90/48/1067449048.db2.gz RMZVSWXXLJZGKH-IBGZPJMESA-N 0 0 456.329 4.948 20 30 JJEDRN Cc1ccc(S(=O)(=O)NC[C@@H](NCc2ccc(Cl)cc2C#N)c2ccccc2)c(C)c1 ZINC001459847882 1067453063 /nfs/dbraw/zinc/45/30/63/1067453063.db2.gz CUWONDYTUGOQMV-HSZRJFAPSA-N 0 0 453.995 4.638 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1sccc1C#N)c1ccc2ccccc2c1 ZINC001459849071 1067454142 /nfs/dbraw/zinc/45/41/42/1067454142.db2.gz HZPIVSXKHBSPES-FQEVSTJZSA-N 0 0 450.564 4.567 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC001459874333 1067468869 /nfs/dbraw/zinc/46/88/69/1067468869.db2.gz GLNDKZVKMDVMLR-WMZHIEFXSA-N 0 0 457.521 4.614 20 30 JJEDRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001459899736 1067479333 /nfs/dbraw/zinc/47/93/33/1067479333.db2.gz UPQZMMZJGKRFLI-KZULUSFZSA-N 0 0 455.381 4.630 20 30 JJEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC001459950056 1067503913 /nfs/dbraw/zinc/50/39/13/1067503913.db2.gz HBKRWMUILHTOTR-INIZCTEOSA-N 0 0 451.514 4.906 20 30 JJEDRN COc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC001459980081 1067514281 /nfs/dbraw/zinc/51/42/81/1067514281.db2.gz MCRXAWYMQITDKX-IBGZPJMESA-N 0 0 451.567 4.587 20 30 JJEDRN C=C(C)[C@@H](NCC(=O)Nc1ccc(I)cc1C)c1ccc(F)c(F)c1 ZINC001459981298 1067514827 /nfs/dbraw/zinc/51/48/27/1067514827.db2.gz XRQDKQJNRLIORK-LJQANCHMSA-N 0 0 456.274 4.723 20 30 JJEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001459988380 1067516692 /nfs/dbraw/zinc/51/66/92/1067516692.db2.gz DRVTZXZXZRMEFF-GOSISDBHSA-N 0 0 455.484 4.575 20 30 JJEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001459988394 1067516753 /nfs/dbraw/zinc/51/67/53/1067516753.db2.gz DRVTZXZXZRMEFF-SFHVURJKSA-N 0 0 455.484 4.575 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c2F)C1 ZINC001459993707 1067518787 /nfs/dbraw/zinc/51/87/87/1067518787.db2.gz UXIIACIFKPJUHF-UHFFFAOYSA-N 0 0 453.489 4.800 20 30 JJEDRN O[C@@H](Cc1ccc(F)cc1)CN1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001460006709 1067524271 /nfs/dbraw/zinc/52/42/71/1067524271.db2.gz 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CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(CC#N)c2ccc(F)cc2C)c1 ZINC001462016673 1067981493 /nfs/dbraw/zinc/98/14/93/1067981493.db2.gz LYDQNVITPZDKJT-UHFFFAOYSA-N 0 0 451.523 4.520 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)NCCc3ccccc3OCc3ccccc3)CC2)c(F)c1 ZINC001462024642 1067983692 /nfs/dbraw/zinc/98/36/92/1067983692.db2.gz VWSFOTUTFDAWEH-UHFFFAOYSA-N 0 0 457.549 4.852 20 30 JJEDRN CN(C(=O)CCc1nc(-c2cc(Br)cs2)no1)c1ccc(C#N)c(Cl)c1 ZINC001462059617 1067993378 /nfs/dbraw/zinc/99/33/78/1067993378.db2.gz OEILCMIRGOEFNA-UHFFFAOYSA-N 0 0 451.733 4.681 20 30 JJEDRN Cc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)nn1-c1cccc(C#N)c1 ZINC001462130125 1068012088 /nfs/dbraw/zinc/01/20/88/1068012088.db2.gz DWUSXBULLSBRKP-UHFFFAOYSA-N 0 0 453.424 4.672 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC001462146398 1068015004 /nfs/dbraw/zinc/01/50/04/1068015004.db2.gz NPHLZJNKRYOYNN-JTHBVZDNSA-N 0 0 478.568 4.933 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)nnc1-c1ccco1 ZINC001462182914 1068024438 /nfs/dbraw/zinc/02/44/38/1068024438.db2.gz HNLKBBSPUGVYQW-UHFFFAOYSA-N 0 0 450.442 4.590 20 30 JJEDRN N#Cc1ccc(N2CCC(Nc3cc(Br)cc(C(=O)N4CCCC4)c3)CC2)cc1 ZINC001462185357 1068024778 /nfs/dbraw/zinc/02/47/78/1068024778.db2.gz VQTKZXYOCGGCGX-UHFFFAOYSA-N 0 0 453.384 4.638 20 30 JJEDRN COC(=O)CCN(CC#N)C(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(Cl)cc1)CC2 ZINC001462269379 1068041737 /nfs/dbraw/zinc/04/17/37/1068041737.db2.gz BJUJNOBGUBBWKL-VLGSPTGOSA-N 0 0 459.933 4.904 20 30 JJEDRN Cc1cn(CC(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)nc1C(F)(F)F ZINC001462302021 1068047495 /nfs/dbraw/zinc/04/74/95/1068047495.db2.gz MGVLPWSSRRKPCK-SFHVURJKSA-N 0 0 451.386 4.992 20 30 JJEDRN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(CCC#N)CCOC)CCOCC1 ZINC001546130723 1068048311 /nfs/dbraw/zinc/04/83/11/1068048311.db2.gz AGDMYHPUJDRXOW-UHFFFAOYSA-N 0 0 490.446 4.589 20 30 JJEDRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(OC)c(C#N)c2)cc1 ZINC001462316591 1068050349 /nfs/dbraw/zinc/05/03/49/1068050349.db2.gz YIIPMBQOCHNLBG-UHFFFAOYSA-N 0 0 452.557 4.764 20 30 JJEDRN C=CCCC[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccccc1 ZINC001462508281 1068087693 /nfs/dbraw/zinc/08/76/93/1068087693.db2.gz ZUTYYRICYHLPHN-HXUWFJFHSA-N 0 0 454.368 4.763 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)COc2ccc(C#N)cc2)C1)C1CCCC1 ZINC001462633445 1068118883 /nfs/dbraw/zinc/11/88/83/1068118883.db2.gz FLJBYCGURNFQQG-NZQKXSOJSA-N 0 0 455.599 4.649 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC001462691549 1068132775 /nfs/dbraw/zinc/13/27/75/1068132775.db2.gz YYIKQVZLZIKVGQ-HNAYVOBHSA-N 0 0 472.916 4.650 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1oc2ccc(F)cc2c1C ZINC001462701184 1068135084 /nfs/dbraw/zinc/13/50/84/1068135084.db2.gz NFSBGHHTOICRPU-UHFFFAOYSA-N 0 0 454.273 4.681 20 30 JJEDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001462722048 1068142460 /nfs/dbraw/zinc/14/24/60/1068142460.db2.gz GGWNWJILNCAWIM-AUSIDOKSSA-N 0 0 463.578 4.760 20 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20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@]23C[C@H]2CCC3)ccc1Cl ZINC001462947443 1068225016 /nfs/dbraw/zinc/22/50/16/1068225016.db2.gz XDZYRQVSIOJAPV-HXOBKFHXSA-N 0 0 462.974 4.780 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)N(CCc2ccc(Cl)cc2)CC2CC2)cc1Br ZINC001463078305 1068280145 /nfs/dbraw/zinc/28/01/45/1068280145.db2.gz HJMLQBUIFRQCDR-UHFFFAOYSA-N 0 0 453.789 4.618 20 30 JJEDRN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(F)c(Br)c1 ZINC001463080231 1068280615 /nfs/dbraw/zinc/28/06/15/1068280615.db2.gz OBFTXMYLRSXAHE-SECBINFHSA-N 0 0 451.239 4.518 20 30 JJEDRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)CCCC2)c1 ZINC001463095145 1068284610 /nfs/dbraw/zinc/28/46/10/1068284610.db2.gz UFBLKJJWUNHJOA-UHFFFAOYSA-N 0 0 450.604 4.668 20 30 JJEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1 ZINC001463097100 1068285463 /nfs/dbraw/zinc/28/54/63/1068285463.db2.gz MNCLESLNNZEAAA-UHFFFAOYSA-N 0 0 452.454 4.864 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c(Cl)c1 ZINC001463110864 1068290588 /nfs/dbraw/zinc/29/05/88/1068290588.db2.gz ISYLGUOXUWUFQJ-UHFFFAOYSA-N 0 0 459.782 4.998 20 30 JJEDRN COc1cc(OC)c(S(=O)(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc1Cl ZINC001463113064 1068291698 /nfs/dbraw/zinc/29/16/98/1068291698.db2.gz VZMAEPNXBACSPZ-INIZCTEOSA-N 0 0 459.269 4.890 20 30 JJEDRN O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463147641 1068302659 /nfs/dbraw/zinc/30/26/59/1068302659.db2.gz CYNMUGRRXCWOQK-NXEZZACHSA-N 0 0 457.239 4.828 20 30 JJEDRN CCOCCOc1ccc(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C(C)C ZINC001463148953 1068303349 /nfs/dbraw/zinc/30/33/49/1068303349.db2.gz WKUNXCSCRNLVDH-ZEQRLZLVSA-N 0 0 456.608 4.686 20 30 JJEDRN Cn1cc(CCC(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001463149554 1068303743 /nfs/dbraw/zinc/30/37/43/1068303743.db2.gz OANYBBKMPQWQPU-OKILXGFUSA-N 0 0 454.361 4.740 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@@H]2CCS[C@H](C)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001463189879 1068314970 /nfs/dbraw/zinc/31/49/70/1068314970.db2.gz GSZVRWGZNBNLTM-TZMCWYRMSA-N 0 0 457.452 4.930 20 30 JJEDRN CSc1cccc([C@@H](NS(=O)(=O)Cc2ccc(CC#N)cc2)c2cc(F)ccc2F)c1 ZINC001463219121 1068323859 /nfs/dbraw/zinc/32/38/59/1068323859.db2.gz JRPVECTWLSLTQF-HSZRJFAPSA-N 0 0 458.555 4.962 20 30 JJEDRN COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1c(C)sc2c1cccc2C ZINC001463286115 1068344871 /nfs/dbraw/zinc/34/48/71/1068344871.db2.gz MFZQKZUGRFANIF-UHFFFAOYSA-N 0 0 452.351 4.929 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)N[C@H](c2ccccc2F)C2CCCC2)cc1Br ZINC001463290309 1068346418 /nfs/dbraw/zinc/34/64/18/1068346418.db2.gz YYPGURUNBYTDKQ-IBGZPJMESA-N 0 0 455.324 4.809 20 30 JJEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)n1 ZINC001546137912 1068350002 /nfs/dbraw/zinc/35/00/02/1068350002.db2.gz JEBTXMXCMXHTJI-UHFFFAOYSA-N 0 0 454.824 4.641 20 30 JJEDRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(F)(F)F ZINC001463404664 1068386034 /nfs/dbraw/zinc/38/60/34/1068386034.db2.gz UGAFIYUDXVSJMX-LAUBAEHRSA-N 0 0 456.468 4.590 20 30 JJEDRN C=CCn1c(SCC(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC001463416825 1068391252 /nfs/dbraw/zinc/39/12/52/1068391252.db2.gz DQGFEUUQABZKEH-PMACEKPBSA-N 0 0 453.011 4.872 20 30 JJEDRN C=CCn1c(SCC(=O)N2C[C@@H](C)OCC[C@H]2C)nnc1-c1ccc(Cl)cc1Cl ZINC001463428564 1068394373 /nfs/dbraw/zinc/39/43/73/1068394373.db2.gz DSEPZPVLQRLFOW-ZIAGYGMSSA-N 0 0 455.411 4.556 20 30 JJEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1cnc2ccc(Br)cc2c1 ZINC001463542676 1068435159 /nfs/dbraw/zinc/43/51/59/1068435159.db2.gz JOVYQPLZWHHTBF-UHFFFAOYSA-N 0 0 457.227 4.655 20 30 JJEDRN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC001463585928 1068457646 /nfs/dbraw/zinc/45/76/46/1068457646.db2.gz HKFGNUDCESVKDR-RUZDIDTESA-N 0 0 456.933 4.756 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCc1cc(F)c(F)cc1Br ZINC001463666023 1068488469 /nfs/dbraw/zinc/48/84/69/1068488469.db2.gz HGYKQFCOCVYZRW-UHFFFAOYSA-N 0 0 457.321 4.601 20 30 JJEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC001463699611 1068498684 /nfs/dbraw/zinc/49/86/84/1068498684.db2.gz PUZRWGQNLGJUFO-LJQANCHMSA-N 0 0 458.889 4.677 20 30 JJEDRN O=S(=O)(NCc1ccnc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463731047 1068506831 /nfs/dbraw/zinc/50/68/31/1068506831.db2.gz LZIDMOBODCXHAE-UHFFFAOYSA-N 0 0 452.298 4.617 20 30 JJEDRN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC001463759832 1068515299 /nfs/dbraw/zinc/51/52/99/1068515299.db2.gz AKQPZXORCRECTQ-IBGZPJMESA-N 0 0 455.805 4.910 20 30 JJEDRN Cc1cc(N2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)nc(C(C)C)n1 ZINC001463771188 1068519856 /nfs/dbraw/zinc/51/98/56/1068519856.db2.gz JEZYEPJLKSFJMP-UHFFFAOYSA-N 0 0 459.525 4.674 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2C(C)C)c1 ZINC001463791068 1068525384 /nfs/dbraw/zinc/52/53/84/1068525384.db2.gz HBGYKQUWGJQZEP-UHFFFAOYSA-N 0 0 458.971 4.751 20 30 JJEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC001463799288 1068528560 /nfs/dbraw/zinc/52/85/60/1068528560.db2.gz ZMNNRQYTTLRWDL-SFHVURJKSA-N 0 0 458.356 4.826 20 30 JJEDRN CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001463798458 1068528576 /nfs/dbraw/zinc/52/85/76/1068528576.db2.gz WINGEAMFJVBIER-NRFANRHFSA-N 0 0 458.375 4.566 20 30 JJEDRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC001463869130 1068551539 /nfs/dbraw/zinc/55/15/39/1068551539.db2.gz AWVUSHBVHSJJAI-UHFFFAOYSA-N 0 0 459.308 4.930 20 30 JJEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001463905725 1068561103 /nfs/dbraw/zinc/56/11/03/1068561103.db2.gz CJIARDBIQYYTMG-HSZRJFAPSA-N 0 0 459.343 4.841 20 30 JJEDRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 ZINC001546142635 1068562154 /nfs/dbraw/zinc/56/21/54/1068562154.db2.gz OETAYWTZHWZCLT-RUZDIDTESA-N 0 0 474.625 4.805 20 30 JJEDRN N#Cc1ccc(Br)cc1S(=O)(=O)Oc1cnc2c(Cl)c(Cl)ccc2c1 ZINC001464000233 1068584964 /nfs/dbraw/zinc/58/49/64/1068584964.db2.gz AYUAFFNPVOEHTR-UHFFFAOYSA-N 0 0 458.120 4.943 20 30 JJEDRN CCCCc1ccc(N2C[C@@H](C(=O)N[C@@H](C#N)c3ccc(Br)cc3)CC2=O)cc1 ZINC001464016791 1068589982 /nfs/dbraw/zinc/58/99/82/1068589982.db2.gz KUGGMRRLNKOGEF-RXVVDRJESA-N 0 0 454.368 4.526 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)s1 ZINC001464016584 1068590026 /nfs/dbraw/zinc/59/00/26/1068590026.db2.gz UZDWXLLZHXBTCP-AWEZNQCLSA-N 0 0 456.818 4.982 20 30 JJEDRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC001464032480 1068594731 /nfs/dbraw/zinc/59/47/31/1068594731.db2.gz FVZNEURTTNFJFB-LJQANCHMSA-N 0 0 458.889 4.896 20 30 JJEDRN C=CC1(CC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001464089986 1068611540 /nfs/dbraw/zinc/61/15/40/1068611540.db2.gz CQTDTTWYYDBZJS-CHWSQXEVSA-N 0 0 458.443 4.825 20 30 JJEDRN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001464111424 1068618762 /nfs/dbraw/zinc/61/87/62/1068618762.db2.gz NJMGCSPBUGLDMD-JOCHJYFZSA-N 0 0 455.580 4.629 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(C)(C)O ZINC001464142044 1068632272 /nfs/dbraw/zinc/63/22/72/1068632272.db2.gz KLGHBMYDHDBWHZ-AZUAARDMSA-N 0 0 457.958 4.598 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(C)(C)O ZINC001464142048 1068632307 /nfs/dbraw/zinc/63/23/07/1068632307.db2.gz KLGHBMYDHDBWHZ-UYAOXDASSA-N 0 0 457.958 4.598 20 30 JJEDRN C[C@H](Oc1ccc(C=O)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC001464298804 1068696989 /nfs/dbraw/zinc/69/69/89/1068696989.db2.gz WFDPSCWTIUHTED-ZDUSSCGKSA-N 0 0 459.449 4.843 20 30 JJEDRN O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001464306080 1068699582 /nfs/dbraw/zinc/69/95/82/1068699582.db2.gz PWAPEZVINOOEBC-BJMVGYQFSA-N 0 0 450.413 4.993 20 30 JJEDRN C=CCCC[C@@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)c1ccccc1 ZINC001464383636 1068726349 /nfs/dbraw/zinc/72/63/49/1068726349.db2.gz TWUIFSAUVACAMB-GOSISDBHSA-N 0 0 452.370 4.695 20 30 JJEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC(=O)c1sc2ccccc2c1Cl ZINC001464392243 1068729321 /nfs/dbraw/zinc/72/93/21/1068729321.db2.gz PWXAOOKJFCHTSP-UHFFFAOYSA-N 0 0 458.870 4.606 20 30 JJEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1 ZINC001464416889 1068738024 /nfs/dbraw/zinc/73/80/24/1068738024.db2.gz FBQFRBWKDOETSC-UHFFFAOYSA-N 0 0 459.506 4.726 20 30 JJEDRN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001464436615 1068745128 /nfs/dbraw/zinc/74/51/28/1068745128.db2.gz KEKFWUDYFLDSNN-GFCCVEGCSA-N 0 0 450.354 4.999 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(CCCCCNS(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC001464481306 1068761907 /nfs/dbraw/zinc/76/19/07/1068761907.db2.gz IINNZZXQGWMZMU-UHFFFAOYSA-N 0 0 455.665 4.587 20 30 JJEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C ZINC001464552415 1068779683 /nfs/dbraw/zinc/77/96/83/1068779683.db2.gz ZENCHMRUCAWIOW-IBGZPJMESA-N 0 0 450.583 4.970 20 30 JJEDRN O=S(=O)(Oc1ccc(Br)c(C(F)F)c1)c1c(F)c(F)c(F)c(F)c1F ZINC001464591504 1068793183 /nfs/dbraw/zinc/79/31/83/1068793183.db2.gz KMKWDRTVJPDXKT-UHFFFAOYSA-N 0 0 453.129 4.850 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)cc1 ZINC001464686355 1068825121 /nfs/dbraw/zinc/82/51/21/1068825121.db2.gz JZQLEHXVMVTIMG-QZTJIDSGSA-N 0 0 458.518 4.620 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3cc(F)ccc3N3CCCCC3)C2)C1 ZINC001464709219 1068833217 /nfs/dbraw/zinc/83/32/17/1068833217.db2.gz UZTWKPMPJZMYAA-JXHCQPQMSA-N 0 0 456.562 4.541 20 30 JJEDRN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001464719532 1068837315 /nfs/dbraw/zinc/83/73/15/1068837315.db2.gz JEXNLWFJIUGWMN-UHFFFAOYSA-N 0 0 454.482 4.990 20 30 JJEDRN CCCCn1c2nnc(SCc3c(C#N)c(C)nn3-c3ccccc3)n2c2ccccc2c1=O ZINC000019014061 259085385 /nfs/dbraw/zinc/08/53/85/259085385.db2.gz PMPWAQNFFQFAEE-UHFFFAOYSA-N 0 0 469.574 4.502 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)c(Cl)nn2)c1 ZINC001164654817 719295823 /nfs/dbraw/zinc/29/58/23/719295823.db2.gz RUMAJVHTPMGNFU-ZRBLBEILSA-N 0 0 497.933 4.562 20 30 JJEDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164663935 719355899 /nfs/dbraw/zinc/35/58/99/719355899.db2.gz JIGPAJNIBLIKPV-UHFFFAOYSA-N 0 0 493.571 4.709 20 30 JJEDRN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164673114 719494036 /nfs/dbraw/zinc/49/40/36/719494036.db2.gz OBBPJFRTZHLVQL-UHFFFAOYSA-N 0 0 460.528 4.770 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)cc2c1Cl ZINC001164679143 719548563 /nfs/dbraw/zinc/54/85/63/719548563.db2.gz UIYPMLHPZKIZCN-VMDGZTHMSA-N 0 0 495.357 4.564 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4[C@@H]3CC(=O)N4Cc3cccnc3)cc2c1Cl ZINC001164692502 719778207 /nfs/dbraw/zinc/77/82/07/719778207.db2.gz UIHHSNKMTBPRGS-MOPGFXCFSA-N 0 0 488.325 4.733 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)[C@@H]2CC ZINC001164698533 719821807 /nfs/dbraw/zinc/82/18/07/719821807.db2.gz DQACKZFPZSCGNJ-IERDGZPVSA-N 0 0 452.908 4.893 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)[C@@H]2CC ZINC001164699671 719822131 /nfs/dbraw/zinc/82/21/31/719822131.db2.gz HUSLCELKUDKDAW-UTKZUKDTSA-N 0 0 452.908 4.893 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)[C@H]2CC ZINC001164704541 719823536 /nfs/dbraw/zinc/82/35/36/719823536.db2.gz ZIRUDAIPKIBOFK-FNZWTVRRSA-N 0 0 467.683 4.830 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)[C@H]2CC ZINC001164700643 719823761 /nfs/dbraw/zinc/82/37/61/719823761.db2.gz LBPZLPFITPKDRT-GHTZIAJQSA-N 0 0 450.917 4.861 20 30 JJEDRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC1)nc2-c1cccnc1 ZINC001164699051 719881396 /nfs/dbraw/zinc/88/13/96/719881396.db2.gz GUKQGGAXQPVQFI-UHFFFAOYSA-N 0 0 479.922 4.879 20 30 JJEDRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C[C@H]21 ZINC001164827242 720426352 /nfs/dbraw/zinc/42/63/52/720426352.db2.gz RZLCGFJSTYZBIW-GLJUWKHASA-N 0 0 497.373 4.572 20 30 JJEDRN CC[C@@H]1N(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)CCC[C@]12CCC(=O)N2 ZINC001164844708 720760463 /nfs/dbraw/zinc/76/04/63/720760463.db2.gz COPCROMQICPNIA-JXFKEZNVSA-N 0 0 453.320 4.986 20 30 JJEDRN COC[C@]12CCCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164851678 720830412 /nfs/dbraw/zinc/83/04/12/720830412.db2.gz YGNDXZKIRGUKJN-FXAWDEMLSA-N 0 0 456.320 4.980 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@@H]43)cnc2Cl)cc1 ZINC001164759317 721011432 /nfs/dbraw/zinc/01/14/32/721011432.db2.gz LFMWXFAAFMQOPU-VABKMULXSA-N 0 0 482.918 4.634 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)cc2c1Cl ZINC001164763051 721011597 /nfs/dbraw/zinc/01/15/97/721011597.db2.gz XDBZKDXSYMATRF-SXLOBPIMSA-N 0 0 491.325 4.774 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]32)N=C1C ZINC001164873900 721236072 /nfs/dbraw/zinc/23/60/72/721236072.db2.gz QVHFMTYJTJWSNR-MEKIYTOJSA-N 0 0 483.950 4.684 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)c(Cl)nn2)c1 ZINC001164871896 721252808 /nfs/dbraw/zinc/25/28/08/721252808.db2.gz BQMSFTDGECKTJI-VJBMBRPKSA-N 0 0 497.933 4.814 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@H]43)c(Cl)nn2)cc1 ZINC001164872648 721252840 /nfs/dbraw/zinc/25/28/40/721252840.db2.gz DUZFUVIPDKXKJG-PTUXOGIPSA-N 0 0 497.933 4.814 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164762751 721269567 /nfs/dbraw/zinc/26/95/67/721269567.db2.gz ACMFTUOYCQSSGX-UHFFFAOYSA-N 0 0 476.314 4.874 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)c(Cl)nn2)cc1 ZINC001164880632 721315523 /nfs/dbraw/zinc/31/55/23/721315523.db2.gz YSPWDWRNNHBDBE-BULFRSBZSA-N 0 0 497.933 4.671 20 30 JJEDRN CCN1CC[C@@]2(CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C[C@H]2C)C1=O ZINC001164779309 721323496 /nfs/dbraw/zinc/32/34/96/721323496.db2.gz XBPMOXYELOXLGO-ODXCJYRJSA-N 0 0 453.320 4.653 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001164778369 721325056 /nfs/dbraw/zinc/32/50/56/721325056.db2.gz PRXPKSIEHGWATF-GFCCVEGCSA-N 0 0 473.282 4.546 20 30 JJEDRN COCCN1CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)Cc2cccnc21 ZINC001164884156 721370001 /nfs/dbraw/zinc/37/00/01/721370001.db2.gz CJGTZUHTWRTKJJ-UHFFFAOYSA-N 0 0 469.923 4.687 20 30 JJEDRN CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2 ZINC001164892201 721378050 /nfs/dbraw/zinc/37/80/50/721378050.db2.gz SEAOBOZDLIPGHR-QFIPXVFZSA-N 0 0 494.995 4.603 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)cc2c1Cl ZINC001164787535 721440428 /nfs/dbraw/zinc/44/04/28/721440428.db2.gz XMLFZMOOCIAEDW-STQMWFEESA-N 0 0 480.371 4.983 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(Cl)nc(C#N)c2)CCO3)cs1 ZINC001164780498 721443538 /nfs/dbraw/zinc/44/35/38/721443538.db2.gz BXNSABIDOYSKJB-QRWLVFNGSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cc(Cl)nc(C#N)c2)CCO3)cs1 ZINC001164780499 721443682 /nfs/dbraw/zinc/44/36/82/721443682.db2.gz BXNSABIDOYSKJB-YWZLYKJASA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)c(C#N)c2)CCO3)cs1 ZINC001164784425 721443970 /nfs/dbraw/zinc/44/39/70/721443970.db2.gz PRHCSIJXEZXKIP-OXJNMPFZSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)c(C#N)c2)CCO3)cs1 ZINC001164784431 721444023 /nfs/dbraw/zinc/44/40/23/721444023.db2.gz PRHCSIJXEZXKIP-UZLBHIALSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cc(C#N)cc(Cl)n2)CCO3)cs1 ZINC001164780932 721444173 /nfs/dbraw/zinc/44/41/73/721444173.db2.gz CZJBHXQHWOJVHR-JXFKEZNVSA-N 0 0 468.957 4.509 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](Cn4cccn4)C3)cnc2Cl)c1 ZINC001164897248 721488279 /nfs/dbraw/zinc/48/82/79/721488279.db2.gz RVKMLZLXRQEMCL-GOSISDBHSA-N 0 0 479.922 4.548 20 30 JJEDRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC2)Oc2ccccc21 ZINC001164797669 721593280 /nfs/dbraw/zinc/59/32/80/721593280.db2.gz HNXFOJJWIBYZDB-QGZVFWFLSA-N 0 0 488.966 4.972 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)cnc2Cl)cc1 ZINC001164800863 721600286 /nfs/dbraw/zinc/60/02/86/721600286.db2.gz NDFVFNZIOSXJQD-UHFFFAOYSA-N 0 0 469.923 4.962 20 30 JJEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001164797983 721605551 /nfs/dbraw/zinc/60/55/51/721605551.db2.gz DQIXIGCYQHDISR-HXUWFJFHSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001164803823 721605738 /nfs/dbraw/zinc/60/57/38/721605738.db2.gz WJIBDRIGBCQUCC-HXUWFJFHSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1ccc(C(F)(F)N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)nc1Cl ZINC001164911647 721739175 /nfs/dbraw/zinc/73/91/75/721739175.db2.gz JVFDJTWFDMQVJG-YKSBVNFPSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cc(C(F)(F)N2C[C@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)cnc1Cl ZINC001164913720 721741086 /nfs/dbraw/zinc/74/10/86/721741086.db2.gz WZHGWZFKJDNQRC-ZJSXRUAMSA-N 0 0 479.918 4.574 20 30 JJEDRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)CC1 ZINC001164918501 721822170 /nfs/dbraw/zinc/82/21/70/721822170.db2.gz FEZQDUHJVNAMLY-UHFFFAOYSA-N 0 0 482.966 4.765 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)C[C@H]21 ZINC001164944954 721963281 /nfs/dbraw/zinc/96/32/81/721963281.db2.gz KTJVMOVGHPYWSG-IZLXSDGUSA-N 0 0 491.595 4.982 20 30 JJEDRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]12 ZINC001164949328 721964748 /nfs/dbraw/zinc/96/47/48/721964748.db2.gz WXIUVYNQIUYSAS-GHTZIAJQSA-N 0 0 465.331 4.574 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)cnc2Cl)c1 ZINC001164958661 722049516 /nfs/dbraw/zinc/04/95/16/722049516.db2.gz PBMSNOYWBDTHJZ-YLJYHZDGSA-N 0 0 468.891 4.762 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4C(=O)c3cscn3)cnc2Cl)cc1 ZINC001164966381 722066128 /nfs/dbraw/zinc/06/61/28/722066128.db2.gz RTVVLMJCHGUFTK-PMACEKPBSA-N 0 0 485.947 4.768 20 30 JJEDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C2)C1=O ZINC001164979848 722163216 /nfs/dbraw/zinc/16/32/16/722163216.db2.gz LIYOPBRACPKVIE-DEOSSOPVSA-N 0 0 464.903 4.943 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(c1nc(CN(CC)CC)nc3sc(C)c(C)c31)CCO2 ZINC001164979999 722169319 /nfs/dbraw/zinc/16/93/19/722169319.db2.gz VYRGQXRTOJUINU-NLFFAJNJSA-N 0 0 458.672 4.728 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)CCO2 ZINC001164980968 722170028 /nfs/dbraw/zinc/17/00/28/722170028.db2.gz ZGOXSZXQYUADRK-XXBNENTESA-N 0 0 474.939 4.792 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CCO2 ZINC001164974564 722170029 /nfs/dbraw/zinc/17/00/29/722170029.db2.gz GBWPDIVRIWQPMD-AOMKIAJQSA-N 0 0 494.926 4.828 20 30 JJEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)CC[C@H]32)cs1 ZINC001164990249 722186647 /nfs/dbraw/zinc/18/66/47/722186647.db2.gz RCZUWBDYEZMPSK-NHCUHLMSSA-N 0 0 471.989 4.534 20 30 JJEDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)CC[C@@H]32)cs1 ZINC001164990259 722186656 /nfs/dbraw/zinc/18/66/56/722186656.db2.gz RCZUWBDYEZMPSK-SFTDATJTSA-N 0 0 471.989 4.534 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164996725 722203375 /nfs/dbraw/zinc/20/33/75/722203375.db2.gz VWNMNPVDHPKMTF-HSZRJFAPSA-N 0 0 492.929 4.712 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)cnc1Cl ZINC001164996831 722221340 /nfs/dbraw/zinc/22/13/40/722221340.db2.gz ANPLYDZCVFHIJW-HXUWFJFHSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4nc(Cl)c5ccccc5n4)C3)C2)c1 ZINC001165004217 722258556 /nfs/dbraw/zinc/25/85/56/722258556.db2.gz OOLWLXGNMSUJTF-DEOSSOPVSA-N 0 0 483.950 4.823 20 30 JJEDRN CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359738436 1064302372 /nfs/dbraw/zinc/30/23/72/1064302372.db2.gz UTOAZLGZCMTCOV-FYYLOGMGSA-N 0 0 494.640 4.753 20 30 JJEDRN CC(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001359738698 1064302532 /nfs/dbraw/zinc/30/25/32/1064302532.db2.gz BEVIFQFYUQHOKB-YADHBBJMSA-N 0 0 464.614 4.699 20 30 JJEDRN C=CC[C@]1(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001434882044 1064314407 /nfs/dbraw/zinc/31/44/07/1064314407.db2.gz FJNCWHCPKXHYCE-KSFYIVLOSA-N 0 0 456.505 4.935 20 30 JJEDRN CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSCC(F)(F)F)CC1 ZINC001359745669 1064320517 /nfs/dbraw/zinc/32/05/17/1064320517.db2.gz OMOLECBVLYKPCR-UHFFFAOYSA-N 0 0 467.561 4.897 20 30 JJEDRN CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001359745751 1064320600 /nfs/dbraw/zinc/32/06/00/1064320600.db2.gz QAGPTHHVGPAKQI-GMAHTHKFSA-N 0 0 496.656 4.760 20 30 JJEDRN COc1ccc(COCc2cccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)c2)cc1 ZINC001434917089 1064344179 /nfs/dbraw/zinc/34/41/79/1064344179.db2.gz SLBNRGYUKBJDNL-JOCHJYFZSA-N 0 0 459.521 4.888 20 30 JJEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC(=O)N(CCCC)[C@@H]1c1ccccc1OC ZINC001434920137 1064347203 /nfs/dbraw/zinc/34/72/03/1064347203.db2.gz PWFKQZFTLHMCKK-SHQCIBLASA-N 0 0 459.590 4.861 20 30 JJEDRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 ZINC001359755456 1064348869 /nfs/dbraw/zinc/34/88/69/1064348869.db2.gz AJRHJQCNDXJPAK-YJBOKZPZSA-N 0 0 464.433 4.570 20 30 JJEDRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)(C#N)CC1 ZINC001359755494 1064349435 /nfs/dbraw/zinc/34/94/35/1064349435.db2.gz AVDONUHIDPKWCF-UYAOXDASSA-N 0 0 459.541 4.738 20 30 JJEDRN N#Cc1ccccc1COc1cccc(C(=O)NCCOc2ccc(Br)cc2)c1 ZINC001434934656 1064360415 /nfs/dbraw/zinc/36/04/15/1064360415.db2.gz ICFVPRVRPMQLFC-UHFFFAOYSA-N 0 0 451.320 4.709 20 30 JJEDRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001359758505 1064360466 /nfs/dbraw/zinc/36/04/66/1064360466.db2.gz VIGLZKNLASRSJV-IFMALSPDSA-N 0 0 450.974 4.563 20 30 JJEDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 ZINC001359760706 1064369341 /nfs/dbraw/zinc/36/93/41/1064369341.db2.gz YDGBREOURCGQQM-YLJYHZDGSA-N 0 0 489.462 4.627 20 30 JJEDRN Cc1c(Br)cc(I)cc1C(=O)N(CC#N)c1ccccc1 ZINC001434949963 1064370424 /nfs/dbraw/zinc/37/04/24/1064370424.db2.gz OSOMJCHBOZDHKJ-UHFFFAOYSA-N 0 0 455.093 4.533 20 30 JJEDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 ZINC001359761153 1064371741 /nfs/dbraw/zinc/37/17/41/1064371741.db2.gz DCWHFHKZESTLFE-QFBILLFUSA-N 0 0 478.460 4.960 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001359762140 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JEZDGKZKJHDNPO-QGZVFWFLSA-N 0 0 499.413 4.588 20 30 JJEDRN Cc1ccc(-c2cccnc2)cc1NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001436145799 1065213221 /nfs/dbraw/zinc/21/32/21/1065213221.db2.gz SPKISBMOEBIIMY-UHFFFAOYSA-N 0 0 452.474 4.995 20 30 JJEDRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001436162592 1065223150 /nfs/dbraw/zinc/22/31/50/1065223150.db2.gz CIRNETXZEJNTLI-LJQANCHMSA-N 0 0 453.514 4.963 20 30 JJEDRN CCCOc1ccc(CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1OCCC ZINC001436183508 1065235646 /nfs/dbraw/zinc/23/56/46/1065235646.db2.gz YWNTUAPEHOOTSV-UHFFFAOYSA-N 0 0 454.542 4.887 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001436183597 1065235702 /nfs/dbraw/zinc/23/57/02/1065235702.db2.gz WODWYSSFSTWLGG-JOCHJYFZSA-N 0 0 455.518 4.662 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C)n(-c2ccccc2Br)n1 ZINC001436212975 1065255386 /nfs/dbraw/zinc/25/53/86/1065255386.db2.gz KRYQZLSOIWJRRH-UHFFFAOYSA-N 0 0 456.388 4.939 20 30 JJEDRN N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1Br ZINC001436213404 1065255973 /nfs/dbraw/zinc/25/59/73/1065255973.db2.gz SGZHUAGFXNBSAW-UHFFFAOYSA-N 0 0 455.333 4.547 20 30 JJEDRN C[C@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1cc(Br)cc2c1OCC2 ZINC001436213824 1065256082 /nfs/dbraw/zinc/25/60/82/1065256082.db2.gz KIWXYPDKWURLCC-BBRMVZONSA-N 0 0 459.315 4.525 20 30 JJEDRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)cc2F)c1 ZINC001436230764 1065268780 /nfs/dbraw/zinc/26/87/80/1065268780.db2.gz VSBGHEDWRRAKMZ-UHFFFAOYSA-N 0 0 451.523 4.945 20 30 JJEDRN CC(=O)N[C@@H](CC(=O)OCc1ccccc1Oc1ccccc1C#N)c1c(F)cccc1F ZINC001436240522 1065272647 /nfs/dbraw/zinc/27/26/47/1065272647.db2.gz YUNMGJYASXVWJX-NRFANRHFSA-N 0 0 450.441 4.939 20 30 JJEDRN COc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC001436270657 1065282428 /nfs/dbraw/zinc/28/24/28/1065282428.db2.gz GBCHVAFJKCPMDY-PELKAZGASA-N 0 0 466.281 4.550 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)Nc2nnc3ccc(Br)cn32)cc1 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GISWLHMUSZVTPV-MRXNPFEDSA-N 0 0 486.523 4.767 20 30 JJEDRN C[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)c1ccc(I)cc1 ZINC001436560682 1065363462 /nfs/dbraw/zinc/36/34/62/1065363462.db2.gz GPGJZBRQPPVUSB-SNVBAGLBSA-N 0 0 455.093 4.668 20 30 JJEDRN CN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001436570556 1065371942 /nfs/dbraw/zinc/37/19/42/1065371942.db2.gz SDOPIEREHOUBJX-GFCCVEGCSA-N 0 0 456.251 4.900 20 30 JJEDRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)OC(C)(C)C ZINC001360464118 1065373281 /nfs/dbraw/zinc/37/32/81/1065373281.db2.gz ZNXVRXUYIKELKY-QGZVFWFLSA-N 0 0 466.611 4.990 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1ccc(Cl)s1 ZINC001360466401 1065378056 /nfs/dbraw/zinc/37/80/56/1065378056.db2.gz DBWSVLUTJXWXFK-CQSZACIVSA-N 0 0 477.421 4.557 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001360469575 1065385327 /nfs/dbraw/zinc/38/53/27/1065385327.db2.gz FABUOKMXERRLQM-GOSISDBHSA-N 0 0 476.581 4.997 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1cnn(C)c1 ZINC001360469699 1065385540 /nfs/dbraw/zinc/38/55/40/1065385540.db2.gz GKUSEWDYZKLTRL-QGZVFWFLSA-N 0 0 463.586 4.917 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001360469966 1065385931 /nfs/dbraw/zinc/38/59/31/1065385931.db2.gz JWRNPIXOVHADIO-AEFFLSMTSA-N 0 0 475.435 4.666 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC=CO1 ZINC001360469769 1065386002 /nfs/dbraw/zinc/38/60/02/1065386002.db2.gz GZLLSBLHFHCCHU-ZFWWWQNUSA-N 0 0 450.768 4.792 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC=CO1 ZINC001360469768 1065386110 /nfs/dbraw/zinc/38/61/10/1065386110.db2.gz GZLLSBLHFHCCHU-UKRRQHHQSA-N 0 0 450.768 4.792 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCCS1(=O)=O ZINC001360470125 1065386856 /nfs/dbraw/zinc/38/68/56/1065386856.db2.gz LQMFZSIDFVLBJA-APWZRJJASA-N 0 0 487.626 4.518 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001360469968 1065386950 /nfs/dbraw/zinc/38/69/50/1065386950.db2.gz JWRNPIXOVHADIO-SJLPKXTDSA-N 0 0 475.435 4.666 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1cccs1 ZINC001360470149 1065387370 /nfs/dbraw/zinc/38/73/70/1065387370.db2.gz MFMZWMSJZTZWMU-HJPURHCSSA-N 0 0 455.653 4.983 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1OCC1CC1 ZINC001360470424 1065388385 /nfs/dbraw/zinc/38/83/85/1065388385.db2.gz PTLWDZMMIDDPCL-MRXNPFEDSA-N 0 0 483.414 4.622 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1cccs1 ZINC001360470981 1065390245 /nfs/dbraw/zinc/39/02/45/1065390245.db2.gz YNFSACWLRGSRCK-XCLFUZPHSA-N 0 0 450.395 4.959 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OCC(F)(F)F ZINC001360471092 1065390824 /nfs/dbraw/zinc/39/08/24/1065390824.db2.gz AROFHZAFYDLXCF-CQSZACIVSA-N 0 0 464.879 4.721 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OCC(F)(F)F ZINC001360471091 1065390945 /nfs/dbraw/zinc/39/09/45/1065390945.db2.gz AROFHZAFYDLXCF-AWEZNQCLSA-N 0 0 464.879 4.721 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCOc1ccc(Cl)cn1 ZINC001360471267 1065391706 /nfs/dbraw/zinc/39/17/06/1065391706.db2.gz DZSZGGJSMSNJPO-CYBMUJFWSA-N 0 0 493.768 4.712 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cccc3cccnc32)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360471920 1065392130 /nfs/dbraw/zinc/39/21/30/1065392130.db2.gz RJSSACQEGWBFAL-MRXNPFEDSA-N 0 0 481.482 4.724 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001360471695 1065392275 /nfs/dbraw/zinc/39/22/75/1065392275.db2.gz MOGRUKWWBDIWLI-CGBFIWBNSA-N 0 0 485.032 4.840 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(c2ccccn2)CCC1 ZINC001360475777 1065394775 /nfs/dbraw/zinc/39/47/75/1065394775.db2.gz DOVLWCFRKWWMEP-RTWAWAEBSA-N 0 0 493.656 4.648 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCOc2ccccc21 ZINC001360476848 1065395120 /nfs/dbraw/zinc/39/51/20/1065395120.db2.gz RVYRDRRDRAUWBT-NJYVYQBISA-N 0 0 494.640 4.697 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)Cc2ccccc2C1 ZINC001360477174 1065395236 /nfs/dbraw/zinc/39/52/36/1065395236.db2.gz WTPHSKBCQLLHTM-NFBKMPQASA-N 0 0 492.668 4.936 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccccn1 ZINC001360477260 1065395291 /nfs/dbraw/zinc/39/52/91/1065395291.db2.gz XRHWWQIYLFRWTP-VQTJNVASSA-N 0 0 481.645 4.504 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001360478483 1065395881 /nfs/dbraw/zinc/39/58/81/1065395881.db2.gz JWELONTZOIMRHS-GOSISDBHSA-N 0 0 485.032 4.828 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001360478283 1065396037 /nfs/dbraw/zinc/39/60/37/1065396037.db2.gz HMDGJWMNDOZXIX-ZHRRBRCNSA-N 0 0 485.489 4.876 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1Cc1ccnc(OCc2ccccc2)c1 ZINC001360479226 1065396795 /nfs/dbraw/zinc/39/67/95/1065396795.db2.gz UJPHTYFOPZCAOE-IBGZPJMESA-N 0 0 458.591 4.691 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001360479135 1065396815 /nfs/dbraw/zinc/39/68/15/1065396815.db2.gz RRNAPDYDSZBQPP-OAHLLOKOSA-N 0 0 485.926 4.558 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC12CCOCC2 ZINC001360480664 1065399697 /nfs/dbraw/zinc/39/96/97/1065399697.db2.gz DZYUGFHUFFMCRS-TZIWHRDSSA-N 0 0 451.615 4.710 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC12CCOCC2 ZINC001360480661 1065399794 /nfs/dbraw/zinc/39/97/94/1065399794.db2.gz DZYUGFHUFFMCRS-CTNGQTDRSA-N 0 0 451.615 4.710 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001360480724 1065399891 /nfs/dbraw/zinc/39/98/91/1065399891.db2.gz GCIICFQSHUIMPY-GGAORHGYSA-N 0 0 492.668 4.981 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360481011 1065400543 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C=CCOc1ccc(CC(=O)Oc2c(Br)cc(C#N)cc2Br)cc1 ZINC001437083563 1065508002 /nfs/dbraw/zinc/50/80/02/1065508002.db2.gz SLXWLXOSWJNHLU-UHFFFAOYSA-N 0 0 451.114 4.796 20 30 JJEDRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3(c4ccc(C#N)cc4)CCC3)c2)cc1 ZINC001437137734 1065511913 /nfs/dbraw/zinc/51/19/13/1065511913.db2.gz IRWGDCDKTSFZGJ-UHFFFAOYSA-N 0 0 459.571 4.501 20 30 JJEDRN C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N)N(C)C(=O)OC(C)(C)C ZINC001360533813 1065514919 /nfs/dbraw/zinc/51/49/19/1065514919.db2.gz BCGKKKHSIIWDQP-JKSUJKDBSA-N 0 0 491.434 4.701 20 30 JJEDRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1)Sc1ccccc1 ZINC001360535071 1065516048 /nfs/dbraw/zinc/51/60/48/1065516048.db2.gz KSYZLHKBSHUXPB-OAHLLOKOSA-N 0 0 471.428 4.956 20 30 JJEDRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CC1CC1)Oc1ccc(F)cc1 ZINC001360540355 1065524805 /nfs/dbraw/zinc/52/48/05/1065524805.db2.gz BZGFHNDWZQXNEF-INIZCTEOSA-N 0 0 454.937 4.730 20 30 JJEDRN O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)N1CC[C@]2(CC2(F)F)C1 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4.874 20 30 JJEDRN Cc1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001438362408 1065716312 /nfs/dbraw/zinc/71/63/12/1065716312.db2.gz BOLGYZCDPWIHOI-UHFFFAOYSA-N 0 0 454.452 4.507 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)Nc2[nH]nc3cnc(Br)cc32)cc1 ZINC001438513839 1065727816 /nfs/dbraw/zinc/72/78/16/1065727816.db2.gz KUSSKXXDWGZDGK-UHFFFAOYSA-N 0 0 450.321 4.996 20 30 JJEDRN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)cc2)c1 ZINC001438759521 1065750305 /nfs/dbraw/zinc/75/03/05/1065750305.db2.gz YUNMTZWOJVJTTJ-JOCHJYFZSA-N 0 0 451.448 4.830 20 30 JJEDRN COc1ccccc1[C@H]1[C@H](C(=O)Nc2cccc(CC#N)n2)CCC(=O)N1c1ccc(C)cc1 ZINC001438821282 1065755138 /nfs/dbraw/zinc/75/51/38/1065755138.db2.gz QSOZOIWYWXAZER-GJZUVCINSA-N 0 0 454.530 4.588 20 30 JJEDRN C[C@](O)(Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1)c1ccsc1 ZINC001360728886 1065756617 /nfs/dbraw/zinc/75/66/17/1065756617.db2.gz SLEIYFZSPXRAKO-QHCPKHFHSA-N 0 0 456.015 4.622 20 30 JJEDRN COc1ccc(CNC(=O)c2ccc(COc3ccccc3Br)cc2)cc1C#N ZINC001438851192 1065757628 /nfs/dbraw/zinc/75/76/28/1065757628.db2.gz AWOLXCCWWZZALK-UHFFFAOYSA-N 0 0 451.320 4.838 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1nc2c(s1)CCCC2 ZINC001360736443 1065765353 /nfs/dbraw/zinc/76/53/53/1065765353.db2.gz AVAKOFPNFAOWFU-SJORKVTESA-N 0 0 468.602 4.874 20 30 JJEDRN C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)c1ccccc1 ZINC001438923185 1065768058 /nfs/dbraw/zinc/76/80/58/1065768058.db2.gz VNVISJTXFVJFLP-UFHPHHKVSA-N 0 0 455.558 4.821 20 30 JJEDRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360739039 1065769662 /nfs/dbraw/zinc/76/96/62/1065769662.db2.gz UHKBPJYQQNQYMX-DLBZAZTESA-N 0 0 474.581 4.599 20 30 JJEDRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CSCCS1 ZINC001360743670 1065779976 /nfs/dbraw/zinc/77/99/76/1065779976.db2.gz HOJYZINYAZDXAM-UZLBHIALSA-N 0 0 461.632 4.536 20 30 JJEDRN 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CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1 ZINC001360802352 1065913835 /nfs/dbraw/zinc/91/38/35/1065913835.db2.gz DVPVKTLHLLONLL-HSZRJFAPSA-N 0 0 472.431 4.779 20 30 JJEDRN CC1(C)CCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC#N)CC1 ZINC001360803276 1065914811 /nfs/dbraw/zinc/91/48/11/1065914811.db2.gz YQGBEPSBEYQRKE-DEOSSOPVSA-N 0 0 459.541 4.618 20 30 JJEDRN C=C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC001440430691 1065940079 /nfs/dbraw/zinc/94/00/79/1065940079.db2.gz ACCKCJKQRRDCNY-NRFANRHFSA-N 0 0 451.504 4.612 20 30 JJEDRN CC1(C)SCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 ZINC001360829489 1065940867 /nfs/dbraw/zinc/94/08/67/1065940867.db2.gz CWQCVDXXIAAAOW-SFHVURJKSA-N 0 0 457.669 4.592 20 30 JJEDRN N#CC1(c2ccc(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)cc2)CC1 ZINC001440498643 1065944446 /nfs/dbraw/zinc/94/44/46/1065944446.db2.gz LFUUTBMDDHXYOR-UHFFFAOYSA-N 0 0 451.935 4.948 20 30 JJEDRN 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CHBKCZWGKLFQKS-UHFFFAOYSA-N 0 0 455.923 4.521 20 30 JJEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)s2)cc1 ZINC001442029752 1066086531 /nfs/dbraw/zinc/08/65/31/1066086531.db2.gz BMCOSUVNWHHVHC-UHFFFAOYSA-N 0 0 452.952 4.998 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C#N)o1 ZINC001360930387 1066086960 /nfs/dbraw/zinc/08/69/60/1066086960.db2.gz UCRZCUBFZDQPSU-OAHLLOKOSA-N 0 0 468.970 4.986 20 30 JJEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3c[nH]nc3-c3ccccc3Cl)s2)cc1 ZINC001442031099 1066086937 /nfs/dbraw/zinc/08/69/37/1066086937.db2.gz DVNUPWCMMUPZIK-UHFFFAOYSA-N 0 0 452.952 4.998 20 30 JJEDRN Cc1c(Cn2c(-c3ccc(Br)cc3)nnc2N(C)C[C@@H](C)C#N)cnn1CC(C)C ZINC001360959896 1066117680 /nfs/dbraw/zinc/11/76/80/1066117680.db2.gz SNRWYTBRRALGQK-INIZCTEOSA-N 0 0 470.419 4.513 20 30 JJEDRN Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC=C(C(F)(F)F)CC2)cnn1CC(C)C ZINC001360960100 1066118292 /nfs/dbraw/zinc/11/82/92/1066118292.db2.gz AEZBHQQHYPHCGY-UHFFFAOYSA-N 0 0 469.515 4.725 20 30 JJEDRN Cc1ccsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC001360960409 1066119173 /nfs/dbraw/zinc/11/91/73/1066119173.db2.gz LSGLDFXMFSNXQX-SFHVURJKSA-N 0 0 491.621 4.988 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2cccc(Br)c2)CCC1 ZINC001442350270 1066119243 /nfs/dbraw/zinc/11/92/43/1066119243.db2.gz FXPYTZKKXWCDFT-MRXNPFEDSA-N 0 0 457.796 4.980 20 30 JJEDRN Cc1ccoc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001360971587 1066127431 /nfs/dbraw/zinc/12/74/31/1066127431.db2.gz VEHIVGCEOFPEBZ-UHFFFAOYSA-N 0 0 490.608 4.850 20 30 JJEDRN Cc1ccoc1Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001360976859 1066133065 /nfs/dbraw/zinc/13/30/65/1066133065.db2.gz WMRBWHVSEOHQFY-UHFFFAOYSA-N 0 0 470.371 4.699 20 30 JJEDRN Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C)CC2)cnn1CC(C)C ZINC001360976949 1066133118 /nfs/dbraw/zinc/13/31/18/1066133118.db2.gz ZJDATUCXMFRBQB-UHFFFAOYSA-N 0 0 461.614 4.564 20 30 JJEDRN C=CCc1ccc(OCC(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c(OC)c1 ZINC001442550150 1066136244 /nfs/dbraw/zinc/13/62/44/1066136244.db2.gz UKTOOGFGNNWNMF-RTWAWAEBSA-N 0 0 458.599 4.583 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N(C)C)nc1 ZINC001360986351 1066151437 /nfs/dbraw/zinc/15/14/37/1066151437.db2.gz BHQHMNOMSZWNFI-QFBILLFUSA-N 0 0 482.032 4.794 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CCCc1cnn(C)c1 ZINC001360986684 1066154311 /nfs/dbraw/zinc/15/43/11/1066154311.db2.gz JRUHLPFJVJRXPO-VQIMIIECSA-N 0 0 470.021 4.651 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCn2ccnc2C1 ZINC001360987166 1066157359 /nfs/dbraw/zinc/15/73/59/1066157359.db2.gz UGRNLVUQIVVPOI-VAMGGRTRSA-N 0 0 482.032 4.886 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)C(C)C ZINC001360989767 1066163492 /nfs/dbraw/zinc/16/34/92/1066163492.db2.gz KLMIWRQLYBRKIA-IBGZPJMESA-N 0 0 487.048 4.591 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@](C)(O)c1ccco1 ZINC001360990789 1066168999 /nfs/dbraw/zinc/16/89/99/1066168999.db2.gz ZIGDTQIGTNYEQC-CJAUYULYSA-N 0 0 484.000 4.929 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001360992332 1066171552 /nfs/dbraw/zinc/17/15/52/1066171552.db2.gz MYVOLAWEWFKGSB-BEZXDORVSA-N 0 0 488.032 4.621 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)c(C)o1 ZINC001360997876 1066176815 /nfs/dbraw/zinc/17/68/15/1066176815.db2.gz PNCLFVAWPAQFMQ-RPWUZVMVSA-N 0 0 453.974 4.846 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H](C)C#N)c(C)o1 ZINC001360998051 1066177040 /nfs/dbraw/zinc/17/70/40/1066177040.db2.gz SXOCZQYSWIPPEH-LNHOJHAFSA-N 0 0 465.598 4.748 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C)(C#N)CC2)c(C)o1 ZINC001360998125 1066177331 /nfs/dbraw/zinc/17/73/31/1066177331.db2.gz VBEIAIAEXXVYLI-DEOSSOPVSA-N 0 0 453.974 4.846 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)c(C)o1 ZINC001360998244 1066177485 /nfs/dbraw/zinc/17/74/85/1066177485.db2.gz XSJURFBZLLQFDU-WGURPXDASA-N 0 0 481.572 4.805 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)c(C)o1 ZINC001361002811 1066179715 /nfs/dbraw/zinc/17/97/15/1066179715.db2.gz IWAOHQZZZYEXSO-CFESPSLPSA-N 0 0 477.609 4.861 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(N3CCC(C)CC3)nc2)c1 ZINC001361018053 1066207494 /nfs/dbraw/zinc/20/74/94/1066207494.db2.gz HUQPAOXWTOBQAO-QHCPKHFHSA-N 0 0 487.652 4.749 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361018998 1066208744 /nfs/dbraw/zinc/20/87/44/1066208744.db2.gz UXHGMBYQXULWKP-RTWAWAEBSA-N 0 0 484.645 4.715 20 30 JJEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001442796221 1066223170 /nfs/dbraw/zinc/22/31/70/1066223170.db2.gz IJMUOBYNGIFFTC-IBGZPJMESA-N 0 0 459.637 4.813 20 30 JJEDRN C=CC1(CC(=O)N(CC)Cc2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 ZINC001442974462 1066249200 /nfs/dbraw/zinc/24/92/00/1066249200.db2.gz RUMGBILZIOHYHM-UHFFFAOYSA-N 0 0 455.368 4.750 20 30 JJEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC001454207594 1066254994 /nfs/dbraw/zinc/25/49/94/1066254994.db2.gz PLSULQZDAMPNST-UHFFFAOYSA-N 0 0 452.967 4.684 20 30 JJEDRN CC(C)[C@H](C#N)N1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)CC1 ZINC001443057426 1066260291 /nfs/dbraw/zinc/26/02/91/1066260291.db2.gz UITKPOHQSYWILY-NRFANRHFSA-N 0 0 451.567 4.925 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)N(C)C2CCCCC2)c(C)n1-c1ccccc1 ZINC001361045436 1066269903 /nfs/dbraw/zinc/26/99/03/1066269903.db2.gz XSBSKQBCXPYCDH-FQEVSTJZSA-N 0 0 487.652 4.882 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)N(C)C2CCCCC2)c(C)n1-c1ccccc1 ZINC001361045437 1066269936 /nfs/dbraw/zinc/26/99/36/1066269936.db2.gz XSBSKQBCXPYCDH-HXUWFJFHSA-N 0 0 487.652 4.882 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443220452 1066282327 /nfs/dbraw/zinc/28/23/27/1066282327.db2.gz WRAAJWILUOWPLF-FDDCHVKYSA-N 0 0 454.542 4.889 20 30 JJEDRN CCOC(=O)c1csc(N(C(=O)c2cccc(SCC#N)c2)c2ccc(OC)cc2)n1 ZINC001361055140 1066293149 /nfs/dbraw/zinc/29/31/49/1066293149.db2.gz ALHOYLLZCOJQIM-UHFFFAOYSA-N 0 0 453.545 4.923 20 30 JJEDRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC001443366679 1066302567 /nfs/dbraw/zinc/30/25/67/1066302567.db2.gz WGCAYENTHJUTJY-HXUWFJFHSA-N 0 0 457.914 4.583 20 30 JJEDRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2cccc(SCC#N)c2)cc1 ZINC001443448284 1066312717 /nfs/dbraw/zinc/31/27/17/1066312717.db2.gz JJBIAMBAKPUZOE-UHFFFAOYSA-N 0 0 459.571 4.560 20 30 JJEDRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)cc2)c(C)c1C ZINC001454651251 1066314777 /nfs/dbraw/zinc/31/47/77/1066314777.db2.gz JGWLOTQNZXYRIZ-FYYLOGMGSA-N 0 0 453.608 4.794 20 30 JJEDRN CC(C)(C(=O)N1CCC[C@](C#N)(c2ccccn2)C1)c1csc(-c2cc(F)ccc2F)n1 ZINC001454677462 1066318710 /nfs/dbraw/zinc/31/87/10/1066318710.db2.gz GMVUCYWYLMTBMT-XMMPIXPASA-N 0 0 452.530 4.845 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCCCC1 ZINC001361087318 1066326446 /nfs/dbraw/zinc/32/64/46/1066326446.db2.gz GOPXJZUAQIJMAF-LJQANCHMSA-N 0 0 460.022 4.685 20 30 JJEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC001443537795 1066326584 /nfs/dbraw/zinc/32/65/84/1066326584.db2.gz JQIFRVOIQLODNY-HSZRJFAPSA-N 0 0 455.514 4.562 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2ccco2)n1Cc1ccc(C#N)o1 ZINC001361087811 1066328106 /nfs/dbraw/zinc/32/81/06/1066328106.db2.gz PKZZZSBDSSBFOM-UHFFFAOYSA-N 0 0 465.941 4.994 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1OCCC1(C)C ZINC001361087901 1066328578 /nfs/dbraw/zinc/32/85/78/1066328578.db2.gz QDNXCDHKDYCIKH-WIYYLYMNSA-N 0 0 460.022 4.805 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC1=CCCOC1 ZINC001361088152 1066329465 /nfs/dbraw/zinc/32/94/65/1066329465.db2.gz GFTWEZNQTRTAIS-RUZDIDTESA-N 0 0 470.017 4.728 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCS1 ZINC001361089452 1066335815 /nfs/dbraw/zinc/33/58/15/1066335815.db2.gz UTXWMNMHVRYMOE-GCJKJVERSA-N 0 0 464.010 4.589 20 30 JJEDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2c(C)nn(CCC#N)c2C)cc1 ZINC001443632047 1066340936 /nfs/dbraw/zinc/34/09/36/1066340936.db2.gz IIQJLRBMHZNGQQ-UHFFFAOYSA-N 0 0 459.594 4.654 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C#N)C2)n1CCC1=CCCCC1 ZINC001361091837 1066342018 /nfs/dbraw/zinc/34/20/18/1066342018.db2.gz VKSCQXSHDCFLSJ-JOCHJYFZSA-N 0 0 470.017 4.871 20 30 JJEDRN C=CCOc1ccccc1CN(C(=O)C[C@](C)(O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC001443638684 1066342947 /nfs/dbraw/zinc/34/29/47/1066342947.db2.gz YBWFNVYUYHVIGC-NDEPHWFRSA-N 0 0 459.542 4.854 20 30 JJEDRN CCc1ccc(C(C)(C)C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC001443668913 1066346580 /nfs/dbraw/zinc/34/65/80/1066346580.db2.gz OUEDCYAATRYIPF-JOCHJYFZSA-N 0 0 454.412 4.698 20 30 JJEDRN Cc1[nH]c2ccc(C(=O)N3CCN([C@@H](C#N)c4ccc(Br)cc4)CC3)cc2c1C ZINC001443669523 1066346825 /nfs/dbraw/zinc/34/68/25/1066346825.db2.gz QCUHNROYGFPEQQ-QFIPXVFZSA-N 0 0 451.368 4.570 20 30 JJEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC001443674409 1066347638 /nfs/dbraw/zinc/34/76/38/1066347638.db2.gz ZWWUNBIWHJMVMU-IBGZPJMESA-N 0 0 458.425 4.802 20 30 JJEDRN N#Cc1ccc(Cn2cc(NC(=O)c3[nH]c4ccc(Br)cc4c3Cl)cn2)cc1 ZINC001454999320 1066350528 /nfs/dbraw/zinc/35/05/28/1066350528.db2.gz CIGFDVZIHLWRRW-UHFFFAOYSA-N 0 0 454.715 4.953 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC#N)NC(=O)OC(C)(C)C ZINC001545961266 1066354328 /nfs/dbraw/zinc/35/43/28/1066354328.db2.gz ROBOGHIJIOCYMT-ZIAGYGMSSA-N 0 0 497.463 4.811 20 30 JJEDRN O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccc2nncn2c1 ZINC001546069191 1066364702 /nfs/dbraw/zinc/36/47/02/1066364702.db2.gz GTAPFHQXSNECBN-CYBMUJFWSA-N 0 0 456.268 4.800 20 30 JJEDRN O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2n[nH]cc2C1 ZINC001546069884 1066369192 /nfs/dbraw/zinc/36/91/92/1066369192.db2.gz YEPJJRZVOSCEBN-CLAHSXSESA-N 0 0 459.312 4.972 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545962439 1066369723 /nfs/dbraw/zinc/36/97/23/1066369723.db2.gz CMJWUDWMEOEWBA-RBUKOAKNSA-N 0 0 492.546 4.899 20 30 JJEDRN O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2n[nH]cc2C1 ZINC001546069887 1066369796 /nfs/dbraw/zinc/36/97/96/1066369796.db2.gz YEPJJRZVOSCEBN-XLKFXECMSA-N 0 0 459.312 4.972 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545962878 1066376519 /nfs/dbraw/zinc/37/65/19/1066376519.db2.gz LUILROYPQGQJKC-HXUWFJFHSA-N 0 0 452.603 4.746 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2OCC[C@H]2C)c1 ZINC001361127126 1066386757 /nfs/dbraw/zinc/38/67/57/1066386757.db2.gz FOEKNBUSFSXNEJ-WIOYSNFSSA-N 0 0 451.615 4.844 20 30 JJEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCCN(C(=O)C2CCC2)C2CC2)c1 ZINC001443952437 1066388170 /nfs/dbraw/zinc/38/81/70/1066388170.db2.gz VREUXKQQICDQLF-UHFFFAOYSA-N 0 0 451.954 4.915 20 30 JJEDRN CCOC(=O)[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC001455446403 1066391221 /nfs/dbraw/zinc/39/12/21/1066391221.db2.gz YASZMOVQNMUTGI-RTBURBONSA-N 0 0 462.493 4.664 20 30 JJEDRN C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C1(N2CCOCC2)CCCC1 ZINC001443999158 1066392851 /nfs/dbraw/zinc/39/28/51/1066392851.db2.gz QBAOZNWPHIMUDB-GOSISDBHSA-N 0 0 453.970 4.767 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CCNc2ncc(Cl)cc2Cl)c1 ZINC001361145944 1066430923 /nfs/dbraw/zinc/43/09/23/1066430923.db2.gz NGBBLEPQVHMWSD-MRXNPFEDSA-N 0 0 488.423 4.884 20 30 JJEDRN Cc1cc(C)n(CCCn2c(COc3cc(C)ccc3C)nnc2N2CCC(C)(C#N)CC2)n1 ZINC001361151465 1066442571 /nfs/dbraw/zinc/44/25/71/1066442571.db2.gz BBMBIODXXMNIJY-UHFFFAOYSA-N 0 0 461.614 4.508 20 30 JJEDRN CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(Br)cs1)OC ZINC001545966700 1066446146 /nfs/dbraw/zinc/44/61/46/1066446146.db2.gz IVWTZVKIZQXUNG-KRWDZBQOSA-N 0 0 460.401 4.702 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)Cc2cccs2)c1 ZINC001361155111 1066453018 /nfs/dbraw/zinc/45/30/18/1066453018.db2.gz LSZIGSXBXUHLAM-MHECFPHRSA-N 0 0 453.587 4.856 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCCNC(=O)OC(C)(C)C)c1 ZINC001361155394 1066454296 /nfs/dbraw/zinc/45/42/96/1066454296.db2.gz BLJQASJYGZOJCT-HHHXNRCGSA-N 0 0 496.656 4.909 20 30 JJEDRN CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)c1nccs1)NC(=O)OC(C)(C)C ZINC001545966994 1066456662 /nfs/dbraw/zinc/45/66/62/1066456662.db2.gz NZCVDZCZMVYKGF-XLIONFOSSA-N 0 0 495.653 4.816 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCc2nccs2)c1 ZINC001361155995 1066456832 /nfs/dbraw/zinc/45/68/32/1066456832.db2.gz KDQLKAIZVPNUHQ-XMMPIXPASA-N 0 0 450.612 4.693 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cnn(-c3ccc(Br)cc3)n2)c1 ZINC001455948006 1066457674 /nfs/dbraw/zinc/45/76/74/1066457674.db2.gz HNELGWLGYWWVOT-UHFFFAOYSA-N 0 0 457.331 4.858 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2Cc2ccc(C#N)o2)c1 ZINC001361156562 1066459256 /nfs/dbraw/zinc/45/92/56/1066459256.db2.gz YNSIQHINTJSGNQ-LJQANCHMSA-N 0 0 489.498 4.535 20 30 JJEDRN N#Cc1ccc(-c2cccc(CNC(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)c2)s1 ZINC001444408231 1066459833 /nfs/dbraw/zinc/45/98/33/1066459833.db2.gz MXZVRGIFAZEWQS-UHFFFAOYSA-N 0 0 453.321 4.561 20 30 JJEDRN N#Cc1ccc(CNC(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001444467746 1066463064 /nfs/dbraw/zinc/46/30/64/1066463064.db2.gz ISVJSJDDQUFZPP-UHFFFAOYSA-N 0 0 453.542 4.883 20 30 JJEDRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001456018709 1066476248 /nfs/dbraw/zinc/47/62/48/1066476248.db2.gz RSIMCVXWVGTCAK-UHFFFAOYSA-N 0 0 451.567 4.951 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC001456024345 1066479970 /nfs/dbraw/zinc/47/99/70/1066479970.db2.gz IMAJSWDVKNXKHK-PMACEKPBSA-N 0 0 451.542 4.628 20 30 JJEDRN Cc1ccc(-c2nc(CCn3c(-c4ccc(Cl)nc4)nnc3N(C)C[C@H](C)C#N)co2)cc1 ZINC001361167478 1066480684 /nfs/dbraw/zinc/48/06/84/1066480684.db2.gz RKOAGUGGBKKSQW-QGZVFWFLSA-N 0 0 461.957 4.796 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H]2C)ccc1Cl ZINC001444613592 1066482834 /nfs/dbraw/zinc/48/28/34/1066482834.db2.gz HOLKKUUVCBHGHK-JKSUJKDBSA-N 0 0 450.963 4.731 20 30 JJEDRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC001361170498 1066485914 /nfs/dbraw/zinc/48/59/14/1066485914.db2.gz ITQZYKBWPQZBFI-IYBDPMFKSA-N 0 0 459.468 4.998 20 30 JJEDRN Cc1c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cccc1N1CCOC1=O ZINC001361176921 1066495149 /nfs/dbraw/zinc/49/51/49/1066495149.db2.gz MTGQWMWJAAWVCM-UHFFFAOYSA-N 0 0 452.942 4.722 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)o1 ZINC001361178978 1066500208 /nfs/dbraw/zinc/50/02/08/1066500208.db2.gz WKXAZAIEKYDLJM-UHFFFAOYSA-N 0 0 489.889 4.809 20 30 JJEDRN C=CCn1c(SCC(=O)NC[C@H](C)Oc2ccccc2C)nnc1-c1ccc(Cl)cc1 ZINC001361180334 1066500704 /nfs/dbraw/zinc/50/07/04/1066500704.db2.gz VOYWELRSINILEY-KRWDZBQOSA-N 0 0 456.999 4.769 20 30 JJEDRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001546079155 1066501602 /nfs/dbraw/zinc/50/16/02/1066501602.db2.gz GRGXPTXMFLVGKG-NFQMXDRXSA-N 0 0 496.656 4.858 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545969253 1066504558 /nfs/dbraw/zinc/50/45/58/1066504558.db2.gz UUEFGGWFYGYYJS-HOTGVXAUSA-N 0 0 491.434 4.607 20 30 JJEDRN CC[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545969255 1066504728 /nfs/dbraw/zinc/50/47/28/1066504728.db2.gz UUEFGGWFYGYYJS-JKSUJKDBSA-N 0 0 491.434 4.607 20 30 JJEDRN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 ZINC001444877730 1066515309 /nfs/dbraw/zinc/51/53/09/1066515309.db2.gz CYEBWTYAGXZWSA-UHFFFAOYSA-N 0 0 453.495 4.894 20 30 JJEDRN CSc1nc(C2CC2)cc(C(=O)N2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)c1C#N ZINC001456130512 1066517261 /nfs/dbraw/zinc/51/72/61/1066517261.db2.gz LQGKVXMRBSSXDJ-DEOSSOPVSA-N 0 0 456.612 4.558 20 30 JJEDRN C#CCOc1cccc(OC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1 ZINC001456131403 1066517882 /nfs/dbraw/zinc/51/78/82/1066517882.db2.gz BFPFRAGNVPNOBM-UHFFFAOYSA-N 0 0 450.288 4.933 20 30 JJEDRN COc1cccc(C[C@H](O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1 ZINC001444935393 1066519287 /nfs/dbraw/zinc/51/92/87/1066519287.db2.gz NRBNHQRQYMVBFU-NRFANRHFSA-N 0 0 456.420 4.920 20 30 JJEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC001361194958 1066521642 /nfs/dbraw/zinc/52/16/42/1066521642.db2.gz BMUMFJSLDDJWQF-DEOSSOPVSA-N 0 0 453.926 4.991 20 30 JJEDRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC001456149615 1066522951 /nfs/dbraw/zinc/52/29/51/1066522951.db2.gz MHIHPRCWGDXYHC-HHHXNRCGSA-N 0 0 459.590 4.781 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccc(F)cn2)cc1Br ZINC001361200304 1066530088 /nfs/dbraw/zinc/53/00/88/1066530088.db2.gz RVGLHLXIZGFNEO-UHFFFAOYSA-N 0 0 469.362 4.729 20 30 JJEDRN C#CCOc1ccc(F)cc1NC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001445026919 1066531059 /nfs/dbraw/zinc/53/10/59/1066531059.db2.gz IAODEURKFYQAOG-FQEVSTJZSA-N 0 0 455.530 4.891 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2c(C)sc(C)c2Br)o1 ZINC001361205017 1066535916 /nfs/dbraw/zinc/53/59/16/1066535916.db2.gz AUNKNMDCWLDGML-LJQANCHMSA-N 0 0 464.364 4.778 20 30 JJEDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 ZINC001445096271 1066539062 /nfs/dbraw/zinc/53/90/62/1066539062.db2.gz XUYASCWUPIYQFG-QFIPXVFZSA-N 0 0 455.436 4.729 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361212158 1066546947 /nfs/dbraw/zinc/54/69/47/1066546947.db2.gz IDSJWPNSMWJHPR-UQBPGWFLSA-N 0 0 468.602 4.624 20 30 JJEDRN O=C(c1nn(-c2ccc(F)cc2F)c2c1CCC2)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001456282200 1066554806 /nfs/dbraw/zinc/55/48/06/1066554806.db2.gz LTURUFFGPRONNN-UHFFFAOYSA-N 0 0 453.333 4.596 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)ccc1OC ZINC001456298921 1066558145 /nfs/dbraw/zinc/55/81/45/1066558145.db2.gz BAUNHLADQGEZPH-PGRDOPGGSA-N 0 0 459.546 4.850 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)ccc1OC ZINC001456304631 1066559642 /nfs/dbraw/zinc/55/96/42/1066559642.db2.gz NRFJYBXASOOURJ-HXUWFJFHSA-N 0 0 452.551 4.522 20 30 JJEDRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC001456362013 1066570877 /nfs/dbraw/zinc/57/08/77/1066570877.db2.gz HIIFUOPNQWPDMD-UHFFFAOYSA-N 0 0 455.514 4.692 20 30 JJEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)n2)c1 ZINC001445459047 1066573061 /nfs/dbraw/zinc/57/30/61/1066573061.db2.gz JSBSOIOJDNSBJK-UHFFFAOYSA-N 0 0 455.345 4.872 20 30 JJEDRN CN(C(=O)CSCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CCCCC1 ZINC001361234896 1066575323 /nfs/dbraw/zinc/57/53/23/1066575323.db2.gz PEUOYBRSMVYTKY-UHFFFAOYSA-N 0 0 455.555 4.952 20 30 JJEDRN Cc1cc(C#N)ccc1C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001361238549 1066579077 /nfs/dbraw/zinc/57/90/77/1066579077.db2.gz QLQMHJJWLVQOIF-UHFFFAOYSA-N 0 0 452.274 4.610 20 30 JJEDRN Cc1ccc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)CC#N)cc1 ZINC001361245372 1066587100 /nfs/dbraw/zinc/58/71/00/1066587100.db2.gz MUTSIKRSONMYNX-CTNGQTDRSA-N 0 0 452.603 4.640 20 30 JJEDRN C#CCN(C(=O)c1ccc2c(C)cc(=O)[nH]c2c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456443992 1066587882 /nfs/dbraw/zinc/58/78/82/1066587882.db2.gz GFSBEJHFKBBNDV-HXUWFJFHSA-N 0 0 451.320 4.611 20 30 JJEDRN C#CCN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456445745 1066588481 /nfs/dbraw/zinc/58/84/81/1066588481.db2.gz IORWFIIBJZTZAB-DENIHFKCSA-N 0 0 454.364 4.942 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)C[C@H](NC(=O)c3ccc(O)cc3)c3ccccc3)CC2)cc1 ZINC001456486684 1066596317 /nfs/dbraw/zinc/59/63/17/1066596317.db2.gz RJXFDTPTPPIKHF-SANMLTNESA-N 0 0 453.542 4.531 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361251207 1066598448 /nfs/dbraw/zinc/59/84/48/1066598448.db2.gz JFFSRBYOPPRFSP-UHFFFAOYSA-N 0 0 464.570 4.660 20 30 JJEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001445656344 1066599050 /nfs/dbraw/zinc/59/90/50/1066599050.db2.gz QDHZJMGLZBEGJJ-UHFFFAOYSA-N 0 0 457.555 4.906 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)C2)C1 ZINC001445774839 1066615177 /nfs/dbraw/zinc/61/51/77/1066615177.db2.gz BRLJESBXYQLDTN-MBKDALQOSA-N 0 0 459.537 4.805 20 30 JJEDRN Cc1cccc(C)c1OC[C@H](O)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC001445784821 1066616779 /nfs/dbraw/zinc/61/67/79/1066616779.db2.gz TVKUHHOUZDWDIX-LJQANCHMSA-N 0 0 450.922 4.791 20 30 JJEDRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 ZINC001361274075 1066630744 /nfs/dbraw/zinc/63/07/44/1066630744.db2.gz CGIPSTIQIPEUSN-SANMLTNESA-N 0 0 453.542 4.884 20 30 JJEDRN COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 ZINC001361276270 1066633582 /nfs/dbraw/zinc/63/35/82/1066633582.db2.gz ZYFXOALPQHPHOI-HNAYVOBHSA-N 0 0 462.424 4.666 20 30 JJEDRN O=C(c1ncc(Cc2ccccc2)o1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001456588129 1066634400 /nfs/dbraw/zinc/63/44/00/1066634400.db2.gz LVCIOZQPDHPNER-CHWSQXEVSA-N 0 0 454.317 4.508 20 30 JJEDRN O=C(Cc1cc(F)cc2c1OCOC2)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC001456592865 1066636168 /nfs/dbraw/zinc/63/61/68/1066636168.db2.gz KITRKPWIDZJYIS-UHFFFAOYSA-N 0 0 453.310 4.833 20 30 JJEDRN CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC001456603340 1066639248 /nfs/dbraw/zinc/63/92/48/1066639248.db2.gz VOYSBAOJNTZISL-KRWDZBQOSA-N 0 0 453.514 4.867 20 30 JJEDRN C#Cc1ccc(NC(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2O)c(Cl)c1 ZINC001456611248 1066642809 /nfs/dbraw/zinc/64/28/09/1066642809.db2.gz FQJRGYDPNYBJSL-UHFFFAOYSA-N 0 0 450.878 4.549 20 30 JJEDRN C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001456626648 1066649629 /nfs/dbraw/zinc/64/96/29/1066649629.db2.gz CGANJBJHZMJLOO-YLJYHZDGSA-N 0 0 451.592 4.942 20 30 JJEDRN COc1cc(F)c(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1F ZINC001446129215 1066662475 /nfs/dbraw/zinc/66/24/75/1066662475.db2.gz PHFQVFSSLSQBCE-UHFFFAOYSA-N 0 0 453.470 4.828 20 30 JJEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Nc2ccccc2C(C)(C)C)cc1 ZINC001446144152 1066665152 /nfs/dbraw/zinc/66/51/52/1066665152.db2.gz WNJBYCQALWBREX-IBGZPJMESA-N 0 0 454.578 4.740 20 30 JJEDRN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001456684983 1066665821 /nfs/dbraw/zinc/66/58/21/1066665821.db2.gz JEVDGZMEWYKYBY-AHKZPQOWSA-N 0 0 453.542 4.676 20 30 JJEDRN CN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)c1ccc(C#N)cc1 ZINC001456727207 1066675259 /nfs/dbraw/zinc/67/52/59/1066675259.db2.gz JFTNFOWWXVZTNT-UHFFFAOYSA-N 0 0 450.281 4.942 20 30 JJEDRN CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C(C)(C)C)n2)C1 ZINC001492613463 1066676063 /nfs/dbraw/zinc/67/60/63/1066676063.db2.gz UTRBJOZAFFPYKW-UHFFFAOYSA-N 0 0 462.623 4.882 20 30 JJEDRN C[C@]1(C#N)CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001546084685 1066679016 /nfs/dbraw/zinc/67/90/16/1066679016.db2.gz RNIYSRMJHMWRAM-HXUWFJFHSA-N 0 0 452.363 4.560 20 30 JJEDRN COc1ccc2c(C)c(CCC(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)c(=O)oc2c1 ZINC001456771515 1066686272 /nfs/dbraw/zinc/68/62/72/1066686272.db2.gz DDBZGCCZKNAJDC-UHFFFAOYSA-N 0 0 455.470 4.740 20 30 JJEDRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)NC(=O)OC(C)(C)C ZINC001545984032 1066688337 /nfs/dbraw/zinc/68/83/37/1066688337.db2.gz BMZPERSYNFLDSG-NRFANRHFSA-N 0 0 494.640 4.768 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c1C ZINC001456790652 1066690920 /nfs/dbraw/zinc/69/09/20/1066690920.db2.gz SMBVTXMCNMQOCO-CQSZACIVSA-N 0 0 457.303 4.668 20 30 JJEDRN Cc1cnn(CCn2c(-c3ccccc3F)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC001492627203 1066698073 /nfs/dbraw/zinc/69/80/73/1066698073.db2.gz PUWGRUCCGWJXLJ-UHFFFAOYSA-N 0 0 476.400 4.610 20 30 JJEDRN C[C@H](C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001456857673 1066706869 /nfs/dbraw/zinc/70/68/69/1066706869.db2.gz BIXWRZLQVIDKQF-MEBBXXQBSA-N 0 0 458.351 4.854 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H](C)CC#N)s1 ZINC001492631859 1066709071 /nfs/dbraw/zinc/70/90/71/1066709071.db2.gz SHJSSNJUOOATDX-IRXDYDNUSA-N 0 0 487.674 4.700 20 30 JJEDRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1 ZINC001456867073 1066710076 /nfs/dbraw/zinc/71/00/76/1066710076.db2.gz YOLLMXDQJDLJQX-INIZCTEOSA-N 0 0 452.486 4.878 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)s1 ZINC001492632883 1066712444 /nfs/dbraw/zinc/71/24/44/1066712444.db2.gz PDCILMKKYADKOP-MAUKXSAKSA-N 0 0 472.565 4.779 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)s1 ZINC001492632884 1066712531 /nfs/dbraw/zinc/71/25/31/1066712531.db2.gz PDCILMKKYADKOP-QAPCUYQASA-N 0 0 472.565 4.779 20 30 JJEDRN C=CCOc1ccc(OC(=O)c2nnn(Cc3cccc(Br)c3)c2CCC)cc1 ZINC001456885939 1066714258 /nfs/dbraw/zinc/71/42/58/1066714258.db2.gz TUOYHRSVDAPLHP-UHFFFAOYSA-N 0 0 456.340 4.825 20 30 JJEDRN Cc1cnc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)(C)C)CC2)s1 ZINC001492634047 1066715933 /nfs/dbraw/zinc/71/59/33/1066715933.db2.gz YWUJOFSHHFNUEI-UHFFFAOYSA-N 0 0 450.612 4.781 20 30 JJEDRN Cc1coc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492634498 1066717154 /nfs/dbraw/zinc/71/71/54/1066717154.db2.gz PQTLGGUXQJKIMO-NRFANRHFSA-N 0 0 490.608 4.768 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C)cc1C#N ZINC001446536009 1066717627 /nfs/dbraw/zinc/71/76/27/1066717627.db2.gz LRKHBJZECCGRSP-FQEVSTJZSA-N 0 0 452.511 4.640 20 30 JJEDRN N#Cc1cccnc1NCc1cccc(C(=O)NCc2cccc(COCC(F)(F)F)c2)c1 ZINC001446565622 1066721296 /nfs/dbraw/zinc/72/12/96/1066721296.db2.gz JFVNJRDDARINRW-UHFFFAOYSA-N 0 0 454.452 4.574 20 30 JJEDRN COC(=O)C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC001456932930 1066725051 /nfs/dbraw/zinc/72/50/51/1066725051.db2.gz MWRMXBNIKZGKMM-HXUWFJFHSA-N 0 0 457.452 4.998 20 30 JJEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446643802 1066728339 /nfs/dbraw/zinc/72/83/39/1066728339.db2.gz MQVGMINIYICBFM-SFHVURJKSA-N 0 0 455.514 4.845 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1 ZINC001446705047 1066732446 /nfs/dbraw/zinc/73/24/46/1066732446.db2.gz VVCUQLUPGPPCJW-OAQYLSRUSA-N 0 0 451.320 4.885 20 30 JJEDRN CCCc1c(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cnn1-c1cccc(F)c1 ZINC001446757457 1066736362 /nfs/dbraw/zinc/73/63/62/1066736362.db2.gz RTBHLAOMVSCJOR-IBGZPJMESA-N 0 0 457.550 4.880 20 30 JJEDRN Cc1csc(CCCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC001492643967 1066740641 /nfs/dbraw/zinc/74/06/41/1066740641.db2.gz VMLJDLQEOPMZDJ-UHFFFAOYSA-N 0 0 495.672 4.992 20 30 JJEDRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C)(C#N)CC3)ccc2C)cc1 ZINC001446797356 1066741158 /nfs/dbraw/zinc/74/11/58/1066741158.db2.gz WUVQZFACOALWIJ-UHFFFAOYSA-N 0 0 453.608 4.904 20 30 JJEDRN Cc1csc(CCCCn2c(C(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)n1 ZINC001492644250 1066741780 /nfs/dbraw/zinc/74/17/80/1066741780.db2.gz JFIAJBYWRSSKDF-UHFFFAOYSA-N 0 0 463.655 4.778 20 30 JJEDRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC001457018320 1066744511 /nfs/dbraw/zinc/74/45/11/1066744511.db2.gz HIMSZGMJDDLWOZ-LPHOPBHVSA-N 0 0 452.530 4.748 20 30 JJEDRN CC(C)(C)OC(=O)COCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC001457026040 1066747531 /nfs/dbraw/zinc/74/75/31/1066747531.db2.gz JRRIXNAKFXTVOY-UHFFFAOYSA-N 0 0 450.413 4.666 20 30 JJEDRN Cc1csc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)c1 ZINC001492646021 1066748576 /nfs/dbraw/zinc/74/85/76/1066748576.db2.gz RVBVJCIGDVBFNK-UHFFFAOYSA-N 0 0 462.623 4.616 20 30 JJEDRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1COc2c(F)cc(F)cc2C1 ZINC001457110912 1066764260 /nfs/dbraw/zinc/76/42/60/1066764260.db2.gz XUSZYARYHANXME-ZDUSSCGKSA-N 0 0 455.301 4.501 20 30 JJEDRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@H](c3ccccc3OC(F)F)C(F)(F)F)c2N1 ZINC001447009338 1066765037 /nfs/dbraw/zinc/76/50/37/1066765037.db2.gz IAIJPFFCZOLECX-BZHVJNSISA-N 0 0 472.336 4.825 20 30 JJEDRN Cc1nc(C)c(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(C#N)cc2)s1 ZINC001492655141 1066765323 /nfs/dbraw/zinc/76/53/23/1066765323.db2.gz LJXFHQUAFBZUTC-UHFFFAOYSA-N 0 0 463.998 4.818 20 30 JJEDRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)s1 ZINC001492658443 1066773191 /nfs/dbraw/zinc/77/31/91/1066773191.db2.gz CWTUHTWYWFKJDK-MRXNPFEDSA-N 0 0 454.575 4.809 20 30 JJEDRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@](F)(C#N)C2)s1 ZINC001492659245 1066775238 /nfs/dbraw/zinc/77/52/38/1066775238.db2.gz VMPQPMCNRFWLBM-HXOBKFHXSA-N 0 0 454.575 4.599 20 30 JJEDRN Cc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCC(C)C)C2CC2)s1 ZINC001492659973 1066777401 /nfs/dbraw/zinc/77/74/01/1066777401.db2.gz GGAQOSNDGBIIDC-UHFFFAOYSA-N 0 0 450.612 4.865 20 30 JJEDRN C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC001457212219 1066791699 /nfs/dbraw/zinc/79/16/99/1066791699.db2.gz ZYJJXVDWNFCLKY-UWJYYQICSA-N 0 0 450.539 4.511 20 30 JJEDRN C#CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 ZINC001447394802 1066802873 /nfs/dbraw/zinc/80/28/73/1066802873.db2.gz QTHBMYMVXQIUGA-UHFFFAOYSA-N 0 0 452.436 4.767 20 30 JJEDRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2c1 ZINC001447479506 1066813470 /nfs/dbraw/zinc/81/34/70/1066813470.db2.gz DWINHJAKUHBFQP-NTKDMRAZSA-N 0 0 456.546 4.699 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@@H](Cc4ccc(C#N)cc4)C3)n2CCOC(C)(C)C)cs1 ZINC001492678918 1066820001 /nfs/dbraw/zinc/82/00/01/1066820001.db2.gz QRUFQOAVFPHHOS-QFIPXVFZSA-N 0 0 478.666 4.780 20 30 JJEDRN C=CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)C(=O)OCC ZINC001447549677 1066820108 /nfs/dbraw/zinc/82/01/08/1066820108.db2.gz JYTHSQLQYKEPMX-IBGZPJMESA-N 0 0 453.336 4.902 20 30 JJEDRN CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC001545997504 1066829621 /nfs/dbraw/zinc/82/96/21/1066829621.db2.gz PYQOJPLRQKMYJB-HXUWFJFHSA-N 0 0 473.021 4.566 20 30 JJEDRN Cc1nc(CCn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCC(C#N)CC2)cs1 ZINC001492691198 1066836943 /nfs/dbraw/zinc/83/69/43/1066836943.db2.gz ATJCXQOUSVLUIO-UHFFFAOYSA-N 0 0 485.057 4.999 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@H]2C)s1 ZINC001492695510 1066842921 /nfs/dbraw/zinc/84/29/21/1066842921.db2.gz DNYRBTPCFLRGGB-VGSWGCGISA-N 0 0 450.612 4.813 20 30 JJEDRN O=C(COc1cccc(I)c1)Nc1ccccc1C#Cc1ccccc1 ZINC001457493633 1066843033 /nfs/dbraw/zinc/84/30/33/1066843033.db2.gz UBXHXNDSOIGRSK-UHFFFAOYSA-N 0 0 453.279 4.709 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC001457533836 1066853537 /nfs/dbraw/zinc/85/35/37/1066853537.db2.gz MBWDNPIIQTWJMJ-HXUWFJFHSA-N 0 0 455.583 4.992 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC001457533818 1066853776 /nfs/dbraw/zinc/85/37/76/1066853776.db2.gz MBWDNPIIQTWJMJ-FQEVSTJZSA-N 0 0 455.583 4.992 20 30 JJEDRN Cc1ncc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCCC(C)C)CC2)s1 ZINC001492700292 1066856131 /nfs/dbraw/zinc/85/61/31/1066856131.db2.gz KSEBSBRTGRUBRF-UHFFFAOYSA-N 0 0 450.612 4.662 20 30 JJEDRN Cc1nccn1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(CC#N)CC1 ZINC001492710565 1066875823 /nfs/dbraw/zinc/87/58/23/1066875823.db2.gz UNPQIGGFNPWZTL-UHFFFAOYSA-N 0 0 461.614 4.705 20 30 JJEDRN Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N(Cc1cccs1)C(C)C ZINC001492714914 1066881443 /nfs/dbraw/zinc/88/14/43/1066881443.db2.gz VLGHDRSJAZCSHB-UHFFFAOYSA-N 0 0 473.606 4.546 20 30 JJEDRN CCCc1c(NC(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC001447959464 1066882745 /nfs/dbraw/zinc/88/27/45/1066882745.db2.gz KMKZNZQQZANWDX-GOSISDBHSA-N 0 0 451.571 4.672 20 30 JJEDRN CCCc1c(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)cnn1-c1cccc(C#N)c1 ZINC001447963766 1066883902 /nfs/dbraw/zinc/88/39/02/1066883902.db2.gz RLARPMCAOJNDGB-HSZRJFAPSA-N 0 0 457.578 4.788 20 30 JJEDRN COc1cc(C#N)cc(Br)c1OC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC001457666202 1066893973 /nfs/dbraw/zinc/89/39/73/1066893973.db2.gz UGJJTCHVCCHOJH-UHFFFAOYSA-N 0 0 452.717 4.508 20 30 JJEDRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1 ZINC001448118607 1066901390 /nfs/dbraw/zinc/90/13/90/1066901390.db2.gz IKCJBYIJBJFDSO-UHFFFAOYSA-N 0 0 455.628 4.637 20 30 JJEDRN CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)cn2c1 ZINC001448119524 1066901837 /nfs/dbraw/zinc/90/18/37/1066901837.db2.gz JUBWHGBDIYYOSB-UHFFFAOYSA-N 0 0 453.587 4.587 20 30 JJEDRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)C#N ZINC001492731700 1066902802 /nfs/dbraw/zinc/90/28/02/1066902802.db2.gz CTVKGOTVTBVPQQ-RZPHLTDDSA-N 0 0 489.668 4.703 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)cc1C#N ZINC001457714827 1066902997 /nfs/dbraw/zinc/90/29/97/1066902997.db2.gz JULUNWKISCUDJS-CYBMUJFWSA-N 0 0 458.312 4.737 20 30 JJEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(F)ccc2Br)CC1 ZINC001457768112 1066914764 /nfs/dbraw/zinc/91/47/64/1066914764.db2.gz XNRSFEJFSKSGCM-UHFFFAOYSA-N 0 0 459.275 4.563 20 30 JJEDRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F ZINC001546004054 1066915283 /nfs/dbraw/zinc/91/52/83/1066915283.db2.gz VMWLQYUHXJYCPK-FQEVSTJZSA-N 0 0 468.602 4.761 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2Cc2c(F)cccc2Cl)n1 ZINC001492740852 1066916156 /nfs/dbraw/zinc/91/61/56/1066916156.db2.gz KYGYJABAUCBEGU-UHFFFAOYSA-N 0 0 457.985 4.747 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2CC2(C)Cc3ccccc3C2)n1 ZINC001492741299 1066917044 /nfs/dbraw/zinc/91/70/44/1066917044.db2.gz XITRYPMBTJPUJQ-UHFFFAOYSA-N 0 0 459.642 4.711 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2Cc2cc(Cl)ccc2OC(F)F)n1 ZINC001492743968 1066919360 /nfs/dbraw/zinc/91/93/60/1066919360.db2.gz COHRZERVGHWRIS-UHFFFAOYSA-N 0 0 489.958 4.573 20 30 JJEDRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001448371017 1066920229 /nfs/dbraw/zinc/92/02/29/1066920229.db2.gz MMOZWIAZYZNDRO-MRXNPFEDSA-N 0 0 459.933 4.755 20 30 JJEDRN N#Cc1cc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)ccc1OC(F)(F)F ZINC001448398288 1066922902 /nfs/dbraw/zinc/92/29/02/1066922902.db2.gz DINJIRRLFYSAJW-UHFFFAOYSA-N 0 0 456.302 4.998 20 30 JJEDRN C=CCOC[C@@H](NC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)C(=O)OC ZINC001448493425 1066933061 /nfs/dbraw/zinc/93/30/61/1066933061.db2.gz ICMDLGIKVWAMQS-MJGOQNOKSA-N 0 0 454.375 4.687 20 30 JJEDRN Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)n1 ZINC001492762501 1066935368 /nfs/dbraw/zinc/93/53/68/1066935368.db2.gz UFLANKPLUIPKIN-LJQANCHMSA-N 0 0 461.614 4.505 20 30 JJEDRN N#CCOc1cc(F)ccc1NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001457887185 1066936543 /nfs/dbraw/zinc/93/65/43/1066936543.db2.gz SLCDSYWPLMQGMI-UHFFFAOYSA-N 0 0 453.514 4.934 20 30 JJEDRN Cc1nnc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCC[C@@](C)(C#N)C2)s1 ZINC001492773511 1066945629 /nfs/dbraw/zinc/94/56/29/1066945629.db2.gz ISLVKZBPCFTQEF-QHCPKHFHSA-N 0 0 486.045 4.590 20 30 JJEDRN Cc1nnc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCC[C@](C)(C#N)C2)s1 ZINC001492773510 1066945770 /nfs/dbraw/zinc/94/57/70/1066945770.db2.gz ISLVKZBPCFTQEF-HSZRJFAPSA-N 0 0 486.045 4.590 20 30 JJEDRN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001457985446 1066952258 /nfs/dbraw/zinc/95/22/58/1066952258.db2.gz SGOMZMXLNFTFDD-UHFFFAOYSA-N 0 0 457.379 4.590 20 30 JJEDRN CCCCCCN(O)C(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC ZINC001458009762 1066956218 /nfs/dbraw/zinc/95/62/18/1066956218.db2.gz FGTMTMOAIMOFIG-WIOPSUGQSA-N 0 0 454.567 4.986 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001448773654 1066956678 /nfs/dbraw/zinc/95/66/78/1066956678.db2.gz DMAIEIJRXYJYFX-PZJWPPBQSA-N 0 0 454.546 4.576 20 30 JJEDRN C=CCn1cc2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)cc2n1 ZINC001458022447 1066957705 /nfs/dbraw/zinc/95/77/05/1066957705.db2.gz JCPOMIBSFALMIL-RUZDIDTESA-N 0 0 454.530 4.699 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1Cl ZINC001458018962 1066957732 /nfs/dbraw/zinc/95/77/32/1066957732.db2.gz JOCMISWVSSPIIS-QFIPXVFZSA-N 0 0 459.933 4.925 20 30 JJEDRN C=CCN(CCOC)C(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001448801986 1066958435 /nfs/dbraw/zinc/95/84/35/1066958435.db2.gz YZTMVVHOMDLHLZ-UHFFFAOYSA-N 0 0 453.391 4.999 20 30 JJEDRN CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccc(C#N)c(Cl)c1 ZINC001458039383 1066959118 /nfs/dbraw/zinc/95/91/18/1066959118.db2.gz UNYYHJPCNPDYFE-UHFFFAOYSA-N 0 0 459.999 4.832 20 30 JJEDRN Cc1cc(Br)ccc1NC(=O)CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001458058871 1066964116 /nfs/dbraw/zinc/96/41/16/1066964116.db2.gz ZQOBIJSRWGHEEH-UHFFFAOYSA-N 0 0 452.356 4.605 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OC(F)F)c(C(F)(F)F)c3)n[nH]2)c1C ZINC001448901895 1066968266 /nfs/dbraw/zinc/96/82/66/1066968266.db2.gz DKMCXQPJNDMRAG-UHFFFAOYSA-N 0 0 455.387 4.949 20 30 JJEDRN CC[C@@H](c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545720136 1066974410 /nfs/dbraw/zinc/97/44/10/1066974410.db2.gz RKZKSEJUJRDLON-CEMLEFRQSA-N 0 0 468.646 4.965 20 30 JJEDRN CC[C@@H](c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545720139 1066974433 /nfs/dbraw/zinc/97/44/33/1066974433.db2.gz RKZKSEJUJRDLON-NNWRFLSQSA-N 0 0 468.646 4.965 20 30 JJEDRN COC(=O)COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl ZINC001458121336 1066981551 /nfs/dbraw/zinc/98/15/51/1066981551.db2.gz DWVFSZJXIXBVSO-UHFFFAOYSA-N 0 0 450.878 4.595 20 30 JJEDRN C=CCC[C@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1 ZINC001458134923 1066985185 /nfs/dbraw/zinc/98/51/85/1066985185.db2.gz MUDMGVYSSWSEJM-FQEVSTJZSA-N 0 0 455.352 4.649 20 30 JJEDRN CCCc1c(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)nnn1-c1cccc(Cl)c1 ZINC001458153820 1066989658 /nfs/dbraw/zinc/98/96/58/1066989658.db2.gz FDFJBCGIKBDYIG-UHFFFAOYSA-N 0 0 452.902 4.566 20 30 JJEDRN CC[C@H](c1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1OCC(F)F)c1ccccc1 ZINC001545733722 1066995855 /nfs/dbraw/zinc/99/58/55/1066995855.db2.gz GSYMLHGPWDEZAG-NRFANRHFSA-N 0 0 466.536 4.647 20 30 JJEDRN CCOC(=O)CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H](C)c1cccc(Br)c1 ZINC001458206355 1067002894 /nfs/dbraw/zinc/00/28/94/1067002894.db2.gz WIHIIPMVYYVQNZ-ONGXBYRLSA-N 0 0 455.352 4.577 20 30 JJEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Cc2c[nH]c3cccc(Br)c23)n1 ZINC001458255312 1067013597 /nfs/dbraw/zinc/01/35/97/1067013597.db2.gz JFAZSGYJTRVDQM-UHFFFAOYSA-N 0 0 454.715 4.822 20 30 JJEDRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)c1 ZINC001449565041 1067014844 /nfs/dbraw/zinc/01/48/44/1067014844.db2.gz DAIBAIBNRFUISH-UHFFFAOYSA-N 0 0 457.964 4.523 20 30 JJEDRN C=CCC1(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC001449610265 1067017867 /nfs/dbraw/zinc/01/78/67/1067017867.db2.gz QVGYUIGCQAVORV-KDURUIRLSA-N 0 0 454.640 4.731 20 30 JJEDRN CSc1ncc(I)c(Sc2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC001458283412 1067020962 /nfs/dbraw/zinc/02/09/62/1067020962.db2.gz MCGBEJIOZAJYKI-UHFFFAOYSA-N 0 0 453.252 4.845 20 30 JJEDRN N#Cc1cc(C(F)(F)F)cc(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)n1 ZINC001458289920 1067022260 /nfs/dbraw/zinc/02/22/60/1067022260.db2.gz HXRMOEPOSABEHM-UHFFFAOYSA-N 0 0 450.417 4.524 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)CCCCOc3cccc(C#N)c3)C2)C1 ZINC001449709461 1067022357 /nfs/dbraw/zinc/02/23/57/1067022357.db2.gz RZEHCAJKBRZTSI-FGZHOGPDSA-N 0 0 455.599 4.603 20 30 JJEDRN N#CCc1ccc(COC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC001458305499 1067025506 /nfs/dbraw/zinc/02/55/06/1067025506.db2.gz IDNMXJCVBBMJOR-UHFFFAOYSA-N 0 0 458.518 4.975 20 30 JJEDRN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)Nc1ncc(C#N)c2ccsc21 ZINC001458305022 1067025673 /nfs/dbraw/zinc/02/56/73/1067025673.db2.gz RGBOXBZMGGRSHM-MRXNPFEDSA-N 0 0 455.337 4.608 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001449776496 1067027239 /nfs/dbraw/zinc/02/72/39/1067027239.db2.gz QSSPDKFGETVDQZ-CTNGQTDRSA-N 0 0 469.607 4.616 20 30 JJEDRN Cc1cc(F)c(NC(=O)CCCCOc2cccc(C#N)c2)c(I)c1 ZINC001458322759 1067030581 /nfs/dbraw/zinc/03/05/81/1067030581.db2.gz QBKUJDBTLMQVAR-UHFFFAOYSA-N 0 0 452.267 4.798 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ccccc2CC#N)C1 ZINC001449901062 1067035750 /nfs/dbraw/zinc/03/57/50/1067035750.db2.gz MAUOEXMXAZGYMN-IFMALSPDSA-N 0 0 451.542 4.662 20 30 JJEDRN C=CC[C@]1(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C ZINC001458342048 1067035900 /nfs/dbraw/zinc/03/59/00/1067035900.db2.gz QDCYXAPMNDAUGH-QMHKHESXSA-N 0 0 451.970 4.520 20 30 JJEDRN N#Cc1cccc(Oc2ccnc(N3CCC[C@@H](Nc4cccc(Br)c4)C3)n2)c1 ZINC001458352427 1067040051 /nfs/dbraw/zinc/04/00/51/1067040051.db2.gz DBPDXBVAYLWAOB-LJQANCHMSA-N 0 0 450.340 4.984 20 30 JJEDRN CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC001545759666 1067043375 /nfs/dbraw/zinc/04/33/75/1067043375.db2.gz CKIDVNNWARSVEI-IBGZPJMESA-N 0 0 456.546 4.643 20 30 JJEDRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC001450132415 1067052133 /nfs/dbraw/zinc/05/21/33/1067052133.db2.gz CVQMJKQRYJHEPD-HRAATJIYSA-N 0 0 459.468 4.674 20 30 JJEDRN Cc1c(C(=O)N(C)CC(C)(C)C#N)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001450151838 1067054506 /nfs/dbraw/zinc/05/45/06/1067054506.db2.gz OZIGJASITYZDIL-UHFFFAOYSA-N 0 0 454.621 4.824 20 30 JJEDRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1)SC ZINC001545769958 1067055876 /nfs/dbraw/zinc/05/58/76/1067055876.db2.gz QCLXEHDMHUSFMI-QFIPXVFZSA-N 0 0 482.698 4.669 20 30 JJEDRN CCC(CC)(Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1)SC ZINC001545771033 1067057107 /nfs/dbraw/zinc/05/71/07/1067057107.db2.gz CZHYHXXUAIQSDD-UYAOXDASSA-N 0 0 486.661 4.656 20 30 JJEDRN Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)cc12 ZINC001458438377 1067060232 /nfs/dbraw/zinc/06/02/32/1067060232.db2.gz HATRORCTYVLZNY-HXUWFJFHSA-N 0 0 451.408 4.622 20 30 JJEDRN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001458438965 1067060698 /nfs/dbraw/zinc/06/06/98/1067060698.db2.gz WMLIKLOPDXYKPP-GXTWGEPZSA-N 0 0 450.753 4.619 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)SC ZINC001545774160 1067065135 /nfs/dbraw/zinc/06/51/35/1067065135.db2.gz FYMVWTDRCUQEKA-FQEVSTJZSA-N 0 0 459.063 4.697 20 30 JJEDRN Cc1ccc(OCCC(=O)N[C@@H](C#N)c2cccc(Br)c2)c(Br)c1 ZINC001458451669 1067066112 /nfs/dbraw/zinc/06/61/12/1067066112.db2.gz YMLJGQUKAJVFBI-INIZCTEOSA-N 0 0 452.146 4.670 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@](F)(C#N)C1)OC ZINC001545774496 1067067475 /nfs/dbraw/zinc/06/74/75/1067067475.db2.gz QYVXCFKSDZQLQP-DEOSSOPVSA-N 0 0 467.545 4.764 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccco2)C1)SC ZINC001545775593 1067068869 /nfs/dbraw/zinc/06/88/69/1067068869.db2.gz DOFDGFYLGMWDIP-OAQYLSRUSA-N 0 0 451.596 4.909 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)C)NC(=O)OC(C)(C)C ZINC001545776040 1067070539 /nfs/dbraw/zinc/07/05/39/1067070539.db2.gz UGHOCYXUDYIKAK-UHFFFAOYSA-N 0 0 454.619 4.992 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C ZINC001545776216 1067070733 /nfs/dbraw/zinc/07/07/33/1067070733.db2.gz ZVIMVDFHJGWGER-XMMPIXPASA-N 0 0 470.593 4.779 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC001458505494 1067077354 /nfs/dbraw/zinc/07/73/54/1067077354.db2.gz KFIKYYPFIVBKOH-MAUKXSAKSA-N 0 0 450.322 4.802 20 30 JJEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001458509310 1067078423 /nfs/dbraw/zinc/07/84/23/1067078423.db2.gz RINNYNNOVTZQRC-IBGZPJMESA-N 0 0 453.587 4.978 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC001545783533 1067078679 /nfs/dbraw/zinc/07/86/79/1067078679.db2.gz VCSHRGBJHCPXRG-CQSZACIVSA-N 0 0 451.297 4.518 20 30 JJEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC001450448378 1067081274 /nfs/dbraw/zinc/08/12/74/1067081274.db2.gz YPMQDZLPXKFXAX-PXDATVDWSA-N 0 0 450.897 4.944 20 30 JJEDRN FC(F)(F)C(F)(F)OCCN(CCOC(F)(F)C(F)(F)F)c1cc(C2CC2)ncn1 ZINC001458580873 1067090248 /nfs/dbraw/zinc/09/02/48/1067090248.db2.gz XOJSWYVXXKCSES-UHFFFAOYSA-N 0 0 459.284 4.504 20 30 JJEDRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C#N)c1)SC ZINC001545792973 1067091669 /nfs/dbraw/zinc/09/16/69/1067091669.db2.gz SGRBXIQFEPHMJV-UHFFFAOYSA-N 0 0 451.644 4.570 20 30 JJEDRN N#C[C@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1c(Cl)cccc1Cl ZINC001458614124 1067096026 /nfs/dbraw/zinc/09/60/26/1067096026.db2.gz MIFYAQCSXLCXKD-IBGZPJMESA-N 0 0 450.281 4.789 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 ZINC001458616242 1067096223 /nfs/dbraw/zinc/09/62/23/1067096223.db2.gz AIFMMPZHOIKGQL-SFHVURJKSA-N 0 0 458.374 4.911 20 30 JJEDRN Cc1csc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1I ZINC001458620002 1067097256 /nfs/dbraw/zinc/09/72/56/1067097256.db2.gz GRIYLRILPFUONZ-LLVKDONJSA-N 0 0 450.223 4.675 20 30 JJEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001458626265 1067097979 /nfs/dbraw/zinc/09/79/79/1067097979.db2.gz OXODLSCOMKXHDM-QFIPXVFZSA-N 0 0 456.506 4.664 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)OC ZINC001545797914 1067097993 /nfs/dbraw/zinc/09/79/93/1067097993.db2.gz BYSZIROGKAVVAV-XZOQPEGZSA-N 0 0 453.631 4.909 20 30 JJEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC001458628786 1067098346 /nfs/dbraw/zinc/09/83/46/1067098346.db2.gz SRNSOFWCWDNVJF-MWLMUJSGSA-N 0 0 452.518 4.610 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CCC2)C1)OC ZINC001545798183 1067098857 /nfs/dbraw/zinc/09/88/57/1067098857.db2.gz GZJMGEDVVATCQU-HSZRJFAPSA-N 0 0 451.615 4.665 20 30 JJEDRN CCOc1ccc(-c2nc(CC)c(C(=O)N[C@@H](C#N)c3cccc(OC)c3OC)s2)cc1 ZINC001458629758 1067098937 /nfs/dbraw/zinc/09/89/37/1067098937.db2.gz VHSMQNGPSXDQLQ-IBGZPJMESA-N 0 0 451.548 4.783 20 30 JJEDRN N#C[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(Cl)cc1 ZINC001458628917 1067098961 /nfs/dbraw/zinc/09/89/61/1067098961.db2.gz TWNQEQKZGMXBAX-INIZCTEOSA-N 0 0 450.669 4.735 20 30 JJEDRN N#Cc1ccc(CC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1 ZINC001458723519 1067117564 /nfs/dbraw/zinc/11/75/64/1067117564.db2.gz ACBNAJRNJOFMCP-UHFFFAOYSA-N 0 0 459.958 4.874 20 30 JJEDRN C=CCn1c(SCCOc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001458737953 1067126951 /nfs/dbraw/zinc/12/69/51/1067126951.db2.gz VKPJIGFMUOJDIH-AWEZNQCLSA-N 0 0 457.577 4.848 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001458738795 1067127490 /nfs/dbraw/zinc/12/74/90/1067127490.db2.gz YEDXMTOPBUCTRL-KYHPRHEASA-N 0 0 459.681 4.944 20 30 JJEDRN CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C ZINC001458752719 1067132205 /nfs/dbraw/zinc/13/22/05/1067132205.db2.gz MATMBMVEGFEVRI-WBVHZDCISA-N 0 0 459.685 4.795 20 30 JJEDRN C=CCn1c(SCCN2C(=O)CCC2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001458757620 1067132916 /nfs/dbraw/zinc/13/29/16/1067132916.db2.gz XUBDCDYMZWOQKI-MRXNPFEDSA-N 0 0 458.653 4.585 20 30 JJEDRN C=C(CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1cc(C)cc(C)c1)C(=O)OCC ZINC001458776231 1067141037 /nfs/dbraw/zinc/14/10/37/1067141037.db2.gz OCAXOMOJEQTBGZ-HMAPJEAMSA-N 0 0 450.560 4.908 20 30 JJEDRN CCCCCn1c(SCC(=O)Nc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CCC3 ZINC001458801906 1067149994 /nfs/dbraw/zinc/14/99/94/1067149994.db2.gz USGLJQAWUNBKBU-UHFFFAOYSA-N 0 0 452.605 4.739 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001451180831 1067152590 /nfs/dbraw/zinc/15/25/90/1067152590.db2.gz PMZGARLZAAOOSJ-HUUCEWRRSA-N 0 0 453.377 4.846 20 30 JJEDRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC001458850944 1067171825 /nfs/dbraw/zinc/17/18/25/1067171825.db2.gz MHXOWCBWPRXDCR-BCHFMIIMSA-N 0 0 453.542 4.716 20 30 JJEDRN Cn1cc(CNC(=O)c2cccnc2SCc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC001458851446 1067172522 /nfs/dbraw/zinc/17/25/22/1067172522.db2.gz CKIPJAUYHMYYKO-UHFFFAOYSA-N 0 0 457.534 4.715 20 30 JJEDRN COC(=O)c1cccc(CSc2nc3ccccc3c(=O)n2[C@H](C)c2ccccc2)c1C#N ZINC001458854940 1067174294 /nfs/dbraw/zinc/17/42/94/1067174294.db2.gz VLQVEUBNNJRDEC-QGZVFWFLSA-N 0 0 455.539 4.956 20 30 JJEDRN C[C@H](NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001458855123 1067174360 /nfs/dbraw/zinc/17/43/60/1067174360.db2.gz YWCCEDCPENSPJF-INIZCTEOSA-N 0 0 454.498 4.854 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cscc1C(F)(F)F ZINC001545834935 1067185498 /nfs/dbraw/zinc/18/54/98/1067185498.db2.gz GHEJNBITHSWPNS-UHFFFAOYSA-N 0 0 490.555 4.833 20 30 JJEDRN Cc1ccccc1-n1c(SCC#Cc2ccc(C(F)(F)F)cc2)nnc1N1CCOCC1 ZINC001458902529 1067190848 /nfs/dbraw/zinc/19/08/48/1067190848.db2.gz YXMPVEVSKRZGKN-UHFFFAOYSA-N 0 0 458.509 4.575 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001545845614 1067197390 /nfs/dbraw/zinc/19/73/90/1067197390.db2.gz MGLKENNQYAIPOG-SJLPKXTDSA-N 0 0 454.541 4.620 20 30 JJEDRN COc1ccc([C@@H](C)SCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)cc1 ZINC001458922710 1067198401 /nfs/dbraw/zinc/19/84/01/1067198401.db2.gz QHOGYJHBIKAVMP-XLIONFOSSA-N 0 0 453.608 4.859 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC23CC3)c1 ZINC001451987548 1067202315 /nfs/dbraw/zinc/20/23/15/1067202315.db2.gz YBPBFKRDIFDKBB-IBGZPJMESA-N 0 0 451.375 4.657 20 30 JJEDRN CC(C)(C(=O)NCc1c(F)c(F)c(Br)c(F)c1F)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001452027985 1067204284 /nfs/dbraw/zinc/20/42/84/1067204284.db2.gz IYQWDKWMVFWSOX-DTWKUNHWSA-N 0 0 479.234 4.721 20 30 JJEDRN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NCCOCCC(C)C)n2)o1 ZINC001458967765 1067212622 /nfs/dbraw/zinc/21/26/22/1067212622.db2.gz ZOYSKTRIZSSREL-UHFFFAOYSA-N 0 0 455.502 4.812 20 30 JJEDRN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccco1)C(=O)NC1(C#N)CCCCC1 ZINC001458977593 1067215702 /nfs/dbraw/zinc/21/57/02/1067215702.db2.gz JTYCHIRPLNHSPF-INIZCTEOSA-N 0 0 453.543 4.549 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1cccc(OC)c1 ZINC001458980420 1067216666 /nfs/dbraw/zinc/21/66/66/1067216666.db2.gz HVFKNHWMFKAGCN-RKDDFOCISA-N 0 0 453.612 4.551 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)Nc2c(C)csc2C(=O)OC)nnc1-c1ccccc1C ZINC001458981780 1067217766 /nfs/dbraw/zinc/21/77/66/1067217766.db2.gz OQOKBTNGGLOVCL-OAHLLOKOSA-N 0 0 456.593 4.715 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2cc(C)nn2-c2ccccc2F)nnc1-c1cccs1 ZINC001458998844 1067225322 /nfs/dbraw/zinc/22/53/22/1067225322.db2.gz RDMMBNDKTMUFGM-UHFFFAOYSA-N 0 0 454.556 4.557 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC001452485250 1067226795 /nfs/dbraw/zinc/22/67/95/1067226795.db2.gz HYOBZQXPNLREFE-GOSISDBHSA-N 0 0 452.274 4.690 20 30 JJEDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001459021197 1067230697 /nfs/dbraw/zinc/23/06/97/1067230697.db2.gz YCNHWDRHSQVRPD-UHFFFAOYSA-N 0 0 457.412 4.629 20 30 JJEDRN CCCc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cnn1Cc1ccccc1 ZINC001459044009 1067237793 /nfs/dbraw/zinc/23/77/93/1067237793.db2.gz FUOJJFCXLRPCMX-UHFFFAOYSA-N 0 0 455.562 4.719 20 30 JJEDRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC001459045820 1067238273 /nfs/dbraw/zinc/23/82/73/1067238273.db2.gz KOOGNJFAALNLKD-UHFFFAOYSA-N 0 0 452.942 4.770 20 30 JJEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)ccc21 ZINC001459051653 1067239718 /nfs/dbraw/zinc/23/97/18/1067239718.db2.gz YWXZGZBMSUBLRQ-UHFFFAOYSA-N 0 0 454.486 4.566 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC2(C#N)CCCC2)c1 ZINC001452771913 1067250770 /nfs/dbraw/zinc/25/07/70/1067250770.db2.gz LQFPGPLJNUPMNF-UHFFFAOYSA-N 0 0 457.983 4.535 20 30 JJEDRN Cc1cc(N2CCCC2)ccc1NC(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O ZINC001459142434 1067259563 /nfs/dbraw/zinc/25/95/63/1067259563.db2.gz MCJXLXBMAXBWIY-UHFFFAOYSA-N 0 0 452.967 4.649 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(C#N)C2)O1 ZINC001546045662 1067260165 /nfs/dbraw/zinc/26/01/65/1067260165.db2.gz REFCYQKYLVNCEV-LPPUWEFUSA-N 0 0 464.614 4.625 20 30 JJEDRN C=C(C)[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC001459179936 1067266971 /nfs/dbraw/zinc/26/69/71/1067266971.db2.gz BUWXAKYPTGZIDX-FGZHOGPDSA-N 0 0 455.505 4.675 20 30 JJEDRN C=C(C)[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC001459179944 1067267015 /nfs/dbraw/zinc/26/70/15/1067267015.db2.gz BUWXAKYPTGZIDX-YADHBBJMSA-N 0 0 455.505 4.675 20 30 JJEDRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC001452956373 1067267511 /nfs/dbraw/zinc/26/75/11/1067267511.db2.gz RBFBCCRABXIJPB-HXUWFJFHSA-N 0 0 456.594 4.676 20 30 JJEDRN N#Cc1ccc(-c2cc(N3CCN(C(=O)c4c(Cl)cccc4C(F)(F)F)CC3)n[nH]2)cc1 ZINC001452960116 1067267671 /nfs/dbraw/zinc/26/76/71/1067267671.db2.gz OPDBSPYFHLHECT-UHFFFAOYSA-N 0 0 459.859 4.583 20 30 JJEDRN C=C(C)[C@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc(F)c(F)c1 ZINC001459186559 1067268136 /nfs/dbraw/zinc/26/81/36/1067268136.db2.gz SOTXIDKEXQQOQD-QFIPXVFZSA-N 0 0 451.498 4.837 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C)(C#N)CC2)O1 ZINC001546047543 1067276188 /nfs/dbraw/zinc/27/61/88/1067276188.db2.gz AMNPOQQPLHOXTM-HRAATJIYSA-N 0 0 461.408 4.513 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@@H](C)CC#N)O1 ZINC001546047650 1067278112 /nfs/dbraw/zinc/27/81/12/1067278112.db2.gz BKIPDHBGTNJLLN-WDUKFBBWSA-N 0 0 464.383 4.933 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)O1 ZINC001546047995 1067284200 /nfs/dbraw/zinc/28/42/00/1067284200.db2.gz GVASQLFXZBKOKS-TUACAJSNSA-N 0 0 491.558 4.694 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CCOC)[C@H]2CC[C@@H](C)C2)O1 ZINC001546048060 1067285309 /nfs/dbraw/zinc/28/53/09/1067285309.db2.gz HOKKRKFXVCXKPJ-XQZLXVFMSA-N 0 0 451.615 4.806 20 30 JJEDRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)O1 ZINC001546048500 1067288854 /nfs/dbraw/zinc/28/88/54/1067288854.db2.gz NADYGBMHMLDNJQ-CVDCTZTESA-N 0 0 487.530 4.553 20 30 JJEDRN C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c1 ZINC001459316055 1067292056 /nfs/dbraw/zinc/29/20/56/1067292056.db2.gz ZHMUXETVWFDYBC-UHFFFAOYSA-N 0 0 459.160 4.791 20 30 JJEDRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)Cc2ccccc21 ZINC001453291745 1067294363 /nfs/dbraw/zinc/29/43/63/1067294363.db2.gz SJHUNKRNYUAAMI-JOCHJYFZSA-N 0 0 458.514 4.812 20 30 JJEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)CCCOc2ccc(Cl)cc2)c1C#N ZINC001459327608 1067295725 /nfs/dbraw/zinc/29/57/25/1067295725.db2.gz SOADLRAOSPJKRQ-UHFFFAOYSA-N 0 0 450.970 4.959 20 30 JJEDRN Cc1nsc(NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)c1C#N ZINC001459426655 1067323144 /nfs/dbraw/zinc/32/31/44/1067323144.db2.gz VFQSUWGJWIPJPT-UHFFFAOYSA-N 0 0 450.321 4.948 20 30 JJEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCCN(c3ccccc3C#N)CC2)c1C#N ZINC001459440546 1067325450 /nfs/dbraw/zinc/32/54/50/1067325450.db2.gz USCMOYCBIQWUNX-UHFFFAOYSA-N 0 0 458.610 4.504 20 30 JJEDRN C=CCN(C(=O)CN1CCCC[C@@H]1[C@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455082 1067327564 /nfs/dbraw/zinc/32/75/64/1067327564.db2.gz QXHFOWQVSCISDP-IFXJQAMLSA-N 0 0 454.423 4.871 20 30 JJEDRN CCN(Cc1ccccc1Br)C(=O)COc1ccc(C#N)c(Br)c1 ZINC001459508751 1067341163 /nfs/dbraw/zinc/34/11/63/1067341163.db2.gz CCMJSQGRSJIAGC-UHFFFAOYSA-N 0 0 452.146 4.511 20 30 JJEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@H](C)O[C@H](C(F)(F)F)C3)sc2C1 ZINC001459554977 1067349803 /nfs/dbraw/zinc/34/98/03/1067349803.db2.gz BIFIFEBENILRRU-IYOUNJFTSA-N 0 0 457.562 4.751 20 30 JJEDRN C[C@H](c1ccc(Cl)cc1)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC001459558241 1067350904 /nfs/dbraw/zinc/35/09/04/1067350904.db2.gz HUVVZEHIOQBQNO-QGZVFWFLSA-N 0 0 457.043 4.859 20 30 JJEDRN C=CCN(C(=O)CN1CC[C@H](COCC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459641689 1067370648 /nfs/dbraw/zinc/37/06/48/1067370648.db2.gz YSAGQJOPFSGBLL-HNNXBMFYSA-N 0 0 454.423 4.994 20 30 JJEDRN COc1ccc([C@H](NC(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C2CC2)cc1 ZINC001459678499 1067381581 /nfs/dbraw/zinc/38/15/81/1067381581.db2.gz YLTIZHQOGFIZAR-MUUNZHRXSA-N 0 0 457.549 4.976 20 30 JJEDRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC001459716113 1067393966 /nfs/dbraw/zinc/39/39/66/1067393966.db2.gz KBDQUPLXWDSSAH-AVRDEDQJSA-N 0 0 451.567 4.544 20 30 JJEDRN N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1 ZINC001459831831 1067444229 /nfs/dbraw/zinc/44/42/29/1067444229.db2.gz IHJYHVPWPRPKCX-FXAWDEMLSA-N 0 0 455.283 4.918 20 30 JJEDRN Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)cc1C#N ZINC001459833735 1067445425 /nfs/dbraw/zinc/44/54/25/1067445425.db2.gz ODSALCUKXCRZPJ-UHFFFAOYSA-N 0 0 451.324 4.699 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2c(C)ccnc2C)c1 ZINC001459888752 1067474178 /nfs/dbraw/zinc/47/41/78/1067474178.db2.gz DVHYVRADKPZQNH-UHFFFAOYSA-N 0 0 455.967 4.985 20 30 JJEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC001459898103 1067478699 /nfs/dbraw/zinc/47/86/99/1067478699.db2.gz XAGYUSHBOCHUSR-IBGZPJMESA-N 0 0 454.290 4.556 20 30 JJEDRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001459899740 1067479299 /nfs/dbraw/zinc/47/92/99/1067479299.db2.gz UPQZMMZJGKRFLI-XIKOKIGWSA-N 0 0 455.381 4.630 20 30 JJEDRN N#Cc1cc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cnc1C(F)(F)F ZINC001459948693 1067503550 /nfs/dbraw/zinc/50/35/50/1067503550.db2.gz DMRWFGGSLKRGLR-UHFFFAOYSA-N 0 0 454.231 4.505 20 30 JJEDRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001459956487 1067506632 /nfs/dbraw/zinc/50/66/32/1067506632.db2.gz BFZKDIOLSIHDAW-NRJQMVOHSA-N 0 0 451.954 4.573 20 30 JJEDRN N#Cc1ccc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c(Br)c1 ZINC001459957922 1067507194 /nfs/dbraw/zinc/50/71/94/1067507194.db2.gz CVWWSDZWAHFMBD-GOSISDBHSA-N 0 0 454.137 4.796 20 30 JJEDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC001459963924 1067509219 /nfs/dbraw/zinc/50/92/19/1067509219.db2.gz WSHXTBQGAJNIPK-QGZVFWFLSA-N 0 0 450.585 4.994 20 30 JJEDRN C[C@@H]1CN(c2ccc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC001459999642 1067521062 /nfs/dbraw/zinc/52/10/62/1067521062.db2.gz XRFMATZDDJHHGF-RTBURBONSA-N 0 0 457.578 4.907 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCOc3ccc(Br)cc3C2)c1 ZINC001460013940 1067527293 /nfs/dbraw/zinc/52/72/93/1067527293.db2.gz ZVZGMOQHRBABHR-GOSISDBHSA-N 0 0 456.384 4.596 20 30 JJEDRN COc1cc(-c2nc(CN3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)cs2)ccc1O ZINC001460047600 1067538684 /nfs/dbraw/zinc/53/86/84/1067538684.db2.gz SPKYCCKADDUDGD-FQEVSTJZSA-N 0 0 454.983 4.560 20 30 JJEDRN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)c2ccc3c(C)cc(=O)oc3c2)c1C#N ZINC001460067187 1067544617 /nfs/dbraw/zinc/54/46/17/1067544617.db2.gz CKTYLBOARUOKNS-UHFFFAOYSA-N 0 0 458.493 4.595 20 30 JJEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001460163621 1067568034 /nfs/dbraw/zinc/56/80/34/1067568034.db2.gz VSNSCFMQGRGRQK-HNNXBMFYSA-N 0 0 459.015 4.807 20 30 JJEDRN C=CC[C@]1(C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C ZINC001460180500 1067572713 /nfs/dbraw/zinc/57/27/13/1067572713.db2.gz NGFCZTXKJVDTOW-IQGLISFBSA-N 0 0 452.636 4.985 20 30 JJEDRN C#CCOc1ccc(CNC(=O)c2cccc(Sc3cccc(Br)c3)n2)cc1 ZINC001460186660 1067574583 /nfs/dbraw/zinc/57/45/83/1067574583.db2.gz FJXYTCADOXSBMQ-UHFFFAOYSA-N 0 0 453.361 4.937 20 30 JJEDRN C=CCN(C(=O)CN1CCC[C@@H](CO)[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226327 1067583912 /nfs/dbraw/zinc/58/39/12/1067583912.db2.gz JFNGONWWQTZRBW-HOCLYGCPSA-N 0 0 454.423 4.729 20 30 JJEDRN CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)cc1 ZINC001460256678 1067592251 /nfs/dbraw/zinc/59/22/51/1067592251.db2.gz ZKWGURDUCOOADY-KRWDZBQOSA-N 0 0 458.343 4.797 20 30 JJEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCC[C@@H](CC(F)(F)F)C2)c1C#N ZINC001460265718 1067593953 /nfs/dbraw/zinc/59/39/53/1067593953.db2.gz INGBKBLREUFRSM-SFHVURJKSA-N 0 0 450.480 4.767 20 30 JJEDRN C=CCn1c(SCC(=O)Oc2ccc3c(c2)nc(C)n3C)nnc1-c1ccc(Cl)cc1 ZINC001460293402 1067600596 /nfs/dbraw/zinc/60/05/96/1067600596.db2.gz SATUACPVIDFSPB-UHFFFAOYSA-N 0 0 453.955 4.677 20 30 JJEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1I ZINC001460308682 1067604648 /nfs/dbraw/zinc/60/46/48/1067604648.db2.gz SQNSGJOSOYUAQK-KRWDZBQOSA-N 0 0 454.695 4.858 20 30 JJEDRN CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001460380678 1067622516 /nfs/dbraw/zinc/62/25/16/1067622516.db2.gz MKVHFUQIVSNOAT-UHFFFAOYSA-N 0 0 451.570 4.734 20 30 JJEDRN C[C@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460449115 1067636626 /nfs/dbraw/zinc/63/66/26/1067636626.db2.gz BHCDKKYKWNLQON-WSXQUGQNSA-N 0 0 463.525 4.740 20 30 JJEDRN COc1ccc(-c2nc(CC(=O)Nc3ccc(Br)c(C#N)c3)cs2)cc1OC ZINC001460566231 1067657186 /nfs/dbraw/zinc/65/71/86/1067657186.db2.gz JWSHTCXQVJCKPX-UHFFFAOYSA-N 0 0 458.337 4.643 20 30 JJEDRN CCc1ccc([C@H](C#N)NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC001460631035 1067678455 /nfs/dbraw/zinc/67/84/55/1067678455.db2.gz ABYOZEDZIOLUOA-QHCPKHFHSA-N 0 0 453.571 4.970 20 30 JJEDRN CCc1ccc([C@@H](C#N)NC(=O)c2c(C)nn(Cc3cccc(Br)c3)c2C)cc1 ZINC001460631315 1067678891 /nfs/dbraw/zinc/67/88/91/1067678891.db2.gz BJWRQJJHZHRHOE-OAQYLSRUSA-N 0 0 451.368 4.868 20 30 JJEDRN N#Cc1ccc(N2CCN(Cc3cccc(OCC(F)(F)F)c3Br)CC2)cc1 ZINC001460634272 1067680236 /nfs/dbraw/zinc/68/02/36/1067680236.db2.gz BZTRUKJVKBOPTM-UHFFFAOYSA-N 0 0 454.290 4.584 20 30 JJEDRN CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)CSCc3ccc(C#N)cc3)cccc21 ZINC001460638886 1067681546 /nfs/dbraw/zinc/68/15/46/1067681546.db2.gz ZJHQHJBDCFKUKV-UHFFFAOYSA-N 0 0 451.592 4.796 20 30 JJEDRN COc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc(Br)c1OC ZINC001460642245 1067683157 /nfs/dbraw/zinc/68/31/57/1067683157.db2.gz NKOGFVZALSQPSB-UHFFFAOYSA-N 0 0 454.280 4.778 20 30 JJEDRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCN(c2ccccc2F)C1 ZINC001460643792 1067683688 /nfs/dbraw/zinc/68/36/88/1067683688.db2.gz QFMLTGKIAMILTN-CQSZACIVSA-N 0 0 450.354 4.637 20 30 JJEDRN C#CC[C@]1(C(=O)Nc2nc3ccc(N(CC)CC)cc3s2)CCCN1C(=O)OC(C)(C)C ZINC001460671459 1067694915 /nfs/dbraw/zinc/69/49/15/1067694915.db2.gz DPXJCWCGLBIBPB-XMMPIXPASA-N 0 0 456.612 4.874 20 30 JJEDRN COC(=O)c1cc(Br)c(CN[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1OC ZINC001460675379 1067696519 /nfs/dbraw/zinc/69/65/19/1067696519.db2.gz KHCFOHYLQWSGQK-QGZVFWFLSA-N 0 0 457.246 4.509 20 30 JJEDRN N#Cc1cccc([C@@H](NCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C(F)(F)F)c1 ZINC001460677818 1067697634 /nfs/dbraw/zinc/69/76/34/1067697634.db2.gz PFEWKTKFURHQNV-DHIUTWEWSA-N 0 0 455.505 4.987 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)cc1 ZINC001460693676 1067703233 /nfs/dbraw/zinc/70/32/33/1067703233.db2.gz UEYQZUNBVLQMBJ-UHFFFAOYSA-N 0 0 451.429 4.654 20 30 JJEDRN Cc1cc(Br)c(COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1Cl ZINC001460758087 1067717665 /nfs/dbraw/zinc/71/76/65/1067717665.db2.gz KZXNDOWFNYMFLD-CQSZACIVSA-N 0 0 451.723 4.991 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)c1cccc(-c2nnc(CCOC)o2)c1 ZINC001460780556 1067722586 /nfs/dbraw/zinc/72/25/86/1067722586.db2.gz HYUHIBVQZGWJLW-UHFFFAOYSA-N 0 0 458.312 4.505 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC001460781168 1067722636 /nfs/dbraw/zinc/72/26/36/1067722636.db2.gz MNOLXQUZKUPPJB-UHFFFAOYSA-N 0 0 453.336 4.926 20 30 JJEDRN C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl ZINC001460783231 1067722995 /nfs/dbraw/zinc/72/29/95/1067722995.db2.gz COVMRGPFYTUYSY-HNNXBMFYSA-N 0 0 453.391 4.740 20 30 JJEDRN C#C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)cc1F ZINC001460785271 1067723288 /nfs/dbraw/zinc/72/32/88/1067723288.db2.gz DXLDPLBIWFLGED-MFEFFIJZSA-N 0 0 456.945 4.752 20 30 JJEDRN C#C[C@@H](NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)cc1F ZINC001460785280 1067723320 /nfs/dbraw/zinc/72/33/20/1067723320.db2.gz DXLDPLBIWFLGED-SAHWJRBASA-N 0 0 456.945 4.752 20 30 JJEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCC(C(=O)OC(C)C)CC3)sc2C1 ZINC001460802760 1067727030 /nfs/dbraw/zinc/72/70/30/1067727030.db2.gz GENHBCKQNNYOBX-SFHVURJKSA-N 0 0 459.656 4.763 20 30 JJEDRN CC(C)(C)OC(=O)NCC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)c2ccccc21 ZINC001460824564 1067730036 /nfs/dbraw/zinc/73/00/36/1067730036.db2.gz IAKVBWWEVVYVQH-KRWDZBQOSA-N 0 0 454.958 4.669 20 30 JJEDRN N#Cc1cccc(OCCCCC(=O)Nc2c(F)cc(I)cc2F)c1 ZINC001460893461 1067744832 /nfs/dbraw/zinc/74/48/32/1067744832.db2.gz CXURLKQJQICRCK-UHFFFAOYSA-N 0 0 456.230 4.629 20 30 JJEDRN N#Cc1cccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c1Br ZINC001461025080 1067763931 /nfs/dbraw/zinc/76/39/31/1067763931.db2.gz MVCANUWUVGMFFC-UHFFFAOYSA-N 0 0 452.230 4.719 20 30 JJEDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Br)c(C#N)n1 ZINC001461099796 1067781987 /nfs/dbraw/zinc/78/19/87/1067781987.db2.gz KIATYWNRHBEWLB-KRWDZBQOSA-N 0 0 457.328 4.536 20 30 JJEDRN CC[C@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl ZINC001461195439 1067797554 /nfs/dbraw/zinc/79/75/54/1067797554.db2.gz PISVGIKSSKJLTP-CQSZACIVSA-N 0 0 454.379 4.583 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Oc2cnn(C(C)C)c2)c1 ZINC001461215982 1067801094 /nfs/dbraw/zinc/80/10/94/1067801094.db2.gz WNLJFIUJXJHOGC-UHFFFAOYSA-N 0 0 459.955 4.718 20 30 JJEDRN CN(C(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1nccc(-c2sccc2Br)n1 ZINC001461297025 1067821046 /nfs/dbraw/zinc/82/10/46/1067821046.db2.gz JIBCBCKZMAWAKA-UHFFFAOYSA-N 0 0 457.328 4.673 20 30 JJEDRN Cc1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461316149 1067826336 /nfs/dbraw/zinc/82/63/36/1067826336.db2.gz MQURCOXPVUXOPA-INIZCTEOSA-N 0 0 457.431 4.675 20 30 JJEDRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCCc2c(C#N)cccc21 ZINC001461365248 1067839434 /nfs/dbraw/zinc/83/94/34/1067839434.db2.gz XIDFWQPXFDAFFO-UHFFFAOYSA-N 0 0 452.436 4.542 20 30 JJEDRN N#Cc1ccc(N2CCC[C@H](NCc3cc(C(F)(F)F)ccc3Br)C2=O)cc1 ZINC001461436036 1067856186 /nfs/dbraw/zinc/85/61/86/1067856186.db2.gz ZSGIBZWKNYBSJL-SFHVURJKSA-N 0 0 452.274 4.625 20 30 JJEDRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1F ZINC001461468521 1067864929 /nfs/dbraw/zinc/86/49/29/1067864929.db2.gz ADEBCUJJJCJYPR-YCSHWKNNSA-N 0 0 493.579 4.719 20 30 JJEDRN C=CCCC1(CNC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCCC1 ZINC001461526217 1067881478 /nfs/dbraw/zinc/88/14/78/1067881478.db2.gz FEKVQYKMFHWDKV-UHFFFAOYSA-N 0 0 458.536 4.619 20 30 JJEDRN CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 ZINC001546125710 1067901527 /nfs/dbraw/zinc/90/15/27/1067901527.db2.gz JSUPPTILJWNCKL-NTKDMRAZSA-N 0 0 455.578 4.894 20 30 JJEDRN CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 ZINC001546125711 1067901576 /nfs/dbraw/zinc/90/15/76/1067901576.db2.gz JSUPPTILJWNCKL-YADARESESA-N 0 0 455.578 4.894 20 30 JJEDRN CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 ZINC001546125708 1067901641 /nfs/dbraw/zinc/90/16/41/1067901641.db2.gz JSUPPTILJWNCKL-CYFREDJKSA-N 0 0 455.578 4.894 20 30 JJEDRN C=CCN(C(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C)C(C)(C)C ZINC001461633459 1067905962 /nfs/dbraw/zinc/90/59/62/1067905962.db2.gz VXQFOUWJENCNSP-UHFFFAOYSA-N 0 0 456.652 4.658 20 30 JJEDRN C#C[C@@H](NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC001461715623 1067924049 /nfs/dbraw/zinc/92/40/49/1067924049.db2.gz TUDMWVIJJYYYTH-MRXNPFEDSA-N 0 0 453.545 4.514 20 30 JJEDRN Cc1c(NCc2cn(C)nc2-c2ccc(C#N)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001461730283 1067926921 /nfs/dbraw/zinc/92/69/21/1067926921.db2.gz NODUUYMALCRKBU-UHFFFAOYSA-N 0 0 451.456 4.538 20 30 JJEDRN Cc1ccc(F)c(-n2nc(C(=O)N[C@@H](C#N)c3ccccc3Br)c3c2CCC3)c1 ZINC001461743415 1067929265 /nfs/dbraw/zinc/92/92/65/1067929265.db2.gz MRPHWASVNVFBCO-SFHVURJKSA-N 0 0 453.315 4.566 20 30 JJEDRN C#CC[C@]1(C(=O)Oc2ccc3cccnc3c2Br)CCCN1C(=O)OC(C)(C)C ZINC001461790564 1067937554 /nfs/dbraw/zinc/93/75/54/1067937554.db2.gz ZIJYLHXBFKDGBI-JOCHJYFZSA-N 0 0 459.340 4.696 20 30 JJEDRN COc1ccc(Br)cc1-c1ncc(C(=O)Nc2nc3cc(C#N)ccc3[nH]2)s1 ZINC001461922310 1067961831 /nfs/dbraw/zinc/96/18/31/1067961831.db2.gz SQJYAVROMNACIT-UHFFFAOYSA-N 0 0 454.309 4.581 20 30 JJEDRN C#CCN(Cc1c2ccccc2[nH]c1C(=O)OC)[C@@H]1CCOc2ccc(Br)cc21 ZINC001461986258 1067975529 /nfs/dbraw/zinc/97/55/29/1067975529.db2.gz JWQXJAGEPYAVBQ-HXUWFJFHSA-N 0 0 453.336 4.676 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)cc1OC ZINC001462048187 1067990049 /nfs/dbraw/zinc/99/00/49/1067990049.db2.gz HVILITIPSKRBRS-SJCTYBOCSA-N 0 0 456.583 4.566 20 30 JJEDRN CC(C)(C)OC(=O)N1CCOC[C@H](Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC001462077033 1067997391 /nfs/dbraw/zinc/99/73/91/1067997391.db2.gz RLTLVQFPMDDVKW-HXUWFJFHSA-N 0 0 457.958 4.838 20 30 JJEDRN CCCc1c(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1cccc(F)c1 ZINC001546130669 1068047075 /nfs/dbraw/zinc/04/70/75/1068047075.db2.gz YEINMQJJPMTDDJ-UHFFFAOYSA-N 0 0 454.546 4.553 20 30 JJEDRN Cc1ccccc1-n1ncc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1C(F)(F)F ZINC001462323063 1068051034 /nfs/dbraw/zinc/05/10/34/1068051034.db2.gz LVHWOMYMIIKMHO-UHFFFAOYSA-N 0 0 450.424 4.568 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001462357545 1068058587 /nfs/dbraw/zinc/05/85/87/1068058587.db2.gz QUPZBZJUDJDZFK-DEOSSOPVSA-N 0 0 459.590 4.645 20 30 JJEDRN N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cccc(Sc3cccc(Br)c3)n1)C2 ZINC001462358987 1068059300 /nfs/dbraw/zinc/05/93/00/1068059300.db2.gz XICHDHWMXRDRRF-GOSISDBHSA-N 0 0 450.361 4.764 20 30 JJEDRN C[C@H](C#N)N(CCC1(NC(=O)OC(C)(C)C)CCOCC1)Cc1cccc(C(F)(F)F)c1 ZINC001462362980 1068060394 /nfs/dbraw/zinc/06/03/94/1068060394.db2.gz ILKQWVYXDLNYKZ-QGZVFWFLSA-N 0 0 455.521 4.883 20 30 JJEDRN CCC1(Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCC(C#N)CC2)CCOCC1 ZINC001546131371 1068066722 /nfs/dbraw/zinc/06/67/22/1068066722.db2.gz XUZLFYXXSZXTRS-UHFFFAOYSA-N 0 0 488.430 4.663 20 30 JJEDRN C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC001462496500 1068085307 /nfs/dbraw/zinc/08/53/07/1068085307.db2.gz PMZJMLQABYUREY-VWLOTQADSA-N 0 0 459.487 4.955 20 30 JJEDRN C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1ccccc1 ZINC001462505245 1068087062 /nfs/dbraw/zinc/08/70/62/1068087062.db2.gz MYIPZHAMFUASKO-DEOSSOPVSA-N 0 0 454.636 4.918 20 30 JJEDRN Cn1cc(CN2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC001462548327 1068096266 /nfs/dbraw/zinc/09/62/66/1068096266.db2.gz OSHIWBCLZLHQAW-UHFFFAOYSA-N 0 0 459.550 4.700 20 30 JJEDRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001462667376 1068127791 /nfs/dbraw/zinc/12/77/91/1068127791.db2.gz JYPJPSOQOBJGCG-KRTXAFLBSA-N 0 0 452.164 4.837 20 30 JJEDRN COc1cc(Br)cc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC001462690653 1068132841 /nfs/dbraw/zinc/13/28/41/1068132841.db2.gz SOYGMOLDTMZBCK-UHFFFAOYSA-N 0 0 451.320 4.838 20 30 JJEDRN CCOc1cc(C#N)ccc1OS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC001462705075 1068137124 /nfs/dbraw/zinc/13/71/24/1068137124.db2.gz BULAWMOATUUVAI-UHFFFAOYSA-N 0 0 451.125 4.794 20 30 JJEDRN C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC001462722939 1068142821 /nfs/dbraw/zinc/14/28/21/1068142821.db2.gz MRTNTTXAGMUKCL-UHFFFAOYSA-N 0 0 458.919 4.912 20 30 JJEDRN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)S(=O)(=O)c2cc(F)cc(C#N)c2)c1 ZINC001462727497 1068145168 /nfs/dbraw/zinc/14/51/68/1068145168.db2.gz BDAXDJXAXYXIEF-QGZVFWFLSA-N 0 0 451.523 4.608 20 30 JJEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(CCC)cc2)c1 ZINC001462740870 1068150530 /nfs/dbraw/zinc/15/05/30/1068150530.db2.gz SAJULZSBJWJECJ-HSZRJFAPSA-N 0 0 454.617 4.684 20 30 JJEDRN CCCCc1ccc([C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)c2cccs2)cc1 ZINC001462742916 1068151706 /nfs/dbraw/zinc/15/17/06/1068151706.db2.gz BGZPVFAIIYWYOG-QFIPXVFZSA-N 0 0 455.561 4.938 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC001462764948 1068159369 /nfs/dbraw/zinc/15/93/69/1068159369.db2.gz BWLNZFFWVCLKON-JOCHJYFZSA-N 0 0 454.517 4.709 20 30 JJEDRN Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCCN1c2ccccc2Sc2ccccc21 ZINC001462778304 1068165406 /nfs/dbraw/zinc/16/54/06/1068165406.db2.gz QYANVGAHDGOATQ-UHFFFAOYSA-N 0 0 453.564 4.977 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)NCc3cc(Br)ccc3Cl)CC2)c(F)c1 ZINC001462795668 1068170184 /nfs/dbraw/zinc/17/01/84/1068170184.db2.gz PCKMBFWTXJFGSL-UHFFFAOYSA-N 0 0 450.739 4.646 20 30 JJEDRN Cc1nc(-c2ccc(C(=O)Nc3ccc(C#N)cc3I)s2)cs1 ZINC001462850496 1068190099 /nfs/dbraw/zinc/19/00/99/1068190099.db2.gz METFWJWEEMMMNM-UHFFFAOYSA-N 0 0 451.314 4.909 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1Br ZINC001462958315 1068229722 /nfs/dbraw/zinc/22/97/22/1068229722.db2.gz FBLXUFNGEQWAGD-IBGZPJMESA-N 0 0 455.324 4.809 20 30 JJEDRN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001463059081 1068269994 /nfs/dbraw/zinc/26/99/94/1068269994.db2.gz JNYAKVXAIDVDBD-FQEVSTJZSA-N 0 0 457.354 4.524 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)c3ccc(Cn4cc(Br)cn4)s3)CC2)cc1 ZINC001463092707 1068284310 /nfs/dbraw/zinc/28/43/10/1068284310.db2.gz SNDUFPAAPVKPBK-UHFFFAOYSA-N 0 0 455.381 4.647 20 30 JJEDRN C=CCOc1ccccc1CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463096189 1068285585 /nfs/dbraw/zinc/28/55/85/1068285585.db2.gz KJOGEQSILOCBMK-UHFFFAOYSA-N 0 0 451.169 4.799 20 30 JJEDRN C=CCCCC(=O)N(Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC ZINC001463116469 1068292578 /nfs/dbraw/zinc/29/25/78/1068292578.db2.gz YYFJIODWFODOPV-YADHBBJMSA-N 0 0 458.599 4.560 20 30 JJEDRN C=CCOc1cc(OC)ccc1C(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463149105 1068302954 /nfs/dbraw/zinc/30/29/54/1068302954.db2.gz LJXZXIHDGWEFCV-BETUJISGSA-N 0 0 459.333 4.503 20 30 JJEDRN C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c(Cl)c1 ZINC001463161654 1068307058 /nfs/dbraw/zinc/30/70/58/1068307058.db2.gz YQKNRGUQLMMIJX-MRXNPFEDSA-N 0 0 450.947 4.714 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC001463189308 1068314500 /nfs/dbraw/zinc/31/45/00/1068314500.db2.gz VQBPZOBBNOQLRP-ADLMAVQZSA-N 0 0 455.388 4.789 20 30 JJEDRN O=S(=O)(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(Br)sc1Cl ZINC001463233313 1068330028 /nfs/dbraw/zinc/33/00/28/1068330028.db2.gz BTJSIBUIXZRPPR-UHFFFAOYSA-N 0 0 458.708 4.513 20 30 JJEDRN CC[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1F)Oc1cccc(C(F)(F)F)c1 ZINC001463262283 1068337869 /nfs/dbraw/zinc/33/78/69/1068337869.db2.gz IRWNMLVTJLFFFM-CYBMUJFWSA-N 0 0 459.383 4.999 20 30 JJEDRN Cc1ccc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)c(Oc2ccccc2)c1 ZINC001463292959 1068346966 /nfs/dbraw/zinc/34/69/66/1068346966.db2.gz LLODBTLFMASWTR-UHFFFAOYSA-N 0 0 457.349 4.900 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)N2CC3(CCCC3)c3cc(Br)ccc32)c(F)c1 ZINC001463306293 1068351005 /nfs/dbraw/zinc/35/10/05/1068351005.db2.gz FVUHQIPCIYTRRT-UHFFFAOYSA-N 0 0 453.308 4.620 20 30 JJEDRN N#Cc1sc2ccccc2c1S(=O)(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001463307533 1068351023 /nfs/dbraw/zinc/35/10/23/1068351023.db2.gz JCKTUWXRUBMOTL-ZDUSSCGKSA-N 0 0 453.372 4.922 20 30 JJEDRN COC(=O)c1ccc2cc(CCNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)oc2c1 ZINC001463337402 1068361295 /nfs/dbraw/zinc/36/12/95/1068361295.db2.gz UDUZVCBAMMKNBF-UHFFFAOYSA-N 0 0 454.482 4.643 20 30 JJEDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(F)(F)F ZINC001463404678 1068386082 /nfs/dbraw/zinc/38/60/82/1068386082.db2.gz UGAFIYUDXVSJMX-UWJYYQICSA-N 0 0 456.468 4.590 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1Br ZINC001463507999 1068423221 /nfs/dbraw/zinc/42/32/21/1068423221.db2.gz YNBUESLANOXCDL-CQSZACIVSA-N 0 0 459.287 4.518 20 30 JJEDRN N#Cc1ccc(OS(=O)(=O)c2scc(Br)c2Br)cc1Cl ZINC001463551813 1068438712 /nfs/dbraw/zinc/43/87/12/1068438712.db2.gz HPDRJVVCSVMHOK-UHFFFAOYSA-N 0 0 457.552 4.566 20 30 JJEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001463557072 1068440922 /nfs/dbraw/zinc/44/09/22/1068440922.db2.gz GMFCGNXWAJSKOF-KRWDZBQOSA-N 0 0 457.752 4.933 20 30 JJEDRN C=C(CC)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(OCC)c(Br)c2)c1 ZINC001463595093 1068459463 /nfs/dbraw/zinc/45/94/63/1068459463.db2.gz JGWXQHOQXMFSSV-UHFFFAOYSA-N 0 0 453.358 4.553 20 30 JJEDRN C#Cc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001463619525 1068468640 /nfs/dbraw/zinc/46/86/40/1068468640.db2.gz BOYZPJGNCISNPU-UHFFFAOYSA-N 0 0 458.461 4.669 20 30 JJEDRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)nc1F ZINC001463701589 1068499824 /nfs/dbraw/zinc/49/98/24/1068499824.db2.gz QXOMCMHYYCWXQN-UHFFFAOYSA-N 0 0 450.763 4.732 20 30 JJEDRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC001463777612 1068521994 /nfs/dbraw/zinc/52/19/94/1068521994.db2.gz VAIKRUFXFITLKG-INIZCTEOSA-N 0 0 457.777 4.825 20 30 JJEDRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](CCCC#N)c1ccccc1 ZINC001463777636 1068522103 /nfs/dbraw/zinc/52/21/03/1068522103.db2.gz VAIKRUFXFITLKG-MRXNPFEDSA-N 0 0 457.777 4.825 20 30 JJEDRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001463794980 1068526895 /nfs/dbraw/zinc/52/68/95/1068526895.db2.gz MFFTZOOLRHDIHH-HXUWFJFHSA-N 0 0 455.345 4.980 20 30 JJEDRN Cc1c2cc(Br)ccc2sc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001463797694 1068528037 /nfs/dbraw/zinc/52/80/37/1068528037.db2.gz STDMIJOBHCHIGQ-LJQANCHMSA-N 0 0 454.393 4.995 20 30 JJEDRN Cc1c2cc(Br)ccc2sc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001463797686 1068528110 /nfs/dbraw/zinc/52/81/10/1068528110.db2.gz STDMIJOBHCHIGQ-IBGZPJMESA-N 0 0 454.393 4.995 20 30 JJEDRN N#Cc1ccc(Br)cc1S(=O)(=O)Oc1ccc(Br)c(Cl)c1 ZINC001463856448 1068548783 /nfs/dbraw/zinc/54/87/83/1068548783.db2.gz OEPORVAGQUCBBB-UHFFFAOYSA-N 0 0 451.523 4.504 20 30 JJEDRN C[C@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001463898344 1068559447 /nfs/dbraw/zinc/55/94/47/1068559447.db2.gz QPQUGYIHXHQYHL-QGZVFWFLSA-N 0 0 452.517 4.846 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(F)(F)F ZINC001463945228 1068571626 /nfs/dbraw/zinc/57/16/26/1068571626.db2.gz UZKUBFSYTLZZHZ-IBGZPJMESA-N 0 0 452.860 4.715 20 30 JJEDRN N#CCc1ccc(S(=O)(=O)Oc2cccc(CN3CCc4ccccc4C3)c2)c(Cl)c1 ZINC001464002569 1068585465 /nfs/dbraw/zinc/58/54/65/1068585465.db2.gz YPBRWEWKBIEOJZ-UHFFFAOYSA-N 0 0 452.963 4.732 20 30 JJEDRN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001464059134 1068602181 /nfs/dbraw/zinc/60/21/81/1068602181.db2.gz PTDTWLFOXSNKHU-IUODEOHRSA-N 0 0 451.224 4.933 20 30 JJEDRN CC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2cc(Br)ccc21 ZINC001464091478 1068611634 /nfs/dbraw/zinc/61/16/34/1068611634.db2.gz SUAAEGIXKNZSHP-UHFFFAOYSA-N 0 0 459.287 4.826 20 30 JJEDRN Cc1cnn(-c2cc(C(=O)N[C@H]3C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(N)cc2F)c1 ZINC001464091756 1068612032 /nfs/dbraw/zinc/61/20/32/1068612032.db2.gz NIKLRLAMFNXGRT-GDNZZTSVSA-N 0 0 452.374 4.541 20 30 JJEDRN CCC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(CCC#N)CCC(C)C)CC1 ZINC001546144364 1068612786 /nfs/dbraw/zinc/61/27/86/1068612786.db2.gz JNLWXOQYJHBSRJ-FQEVSTJZSA-N 0 0 474.650 4.543 20 30 JJEDRN N#Cc1cccc(C2(NS(=O)(=O)c3cccc(Sc4ccccc4)c3)CCOCC2)c1 ZINC001464108685 1068618175 /nfs/dbraw/zinc/61/81/75/1068618175.db2.gz OCBRCVVIMWTQST-UHFFFAOYSA-N 0 0 450.585 4.694 20 30 JJEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)c(O)c2)cc1 ZINC001464139075 1068631181 /nfs/dbraw/zinc/63/11/81/1068631181.db2.gz VTESCCARYMWRED-SFHVURJKSA-N 0 0 454.267 4.905 20 30 JJEDRN COc1ccc(CNC(=O)/C=C\C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 ZINC001464141474 1068631812 /nfs/dbraw/zinc/63/18/12/1068631812.db2.gz GBNKPFCQEUSRHG-DSTYWPJMSA-N 0 0 459.933 4.815 20 30 JJEDRN Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC001464274318 1068685538 /nfs/dbraw/zinc/68/55/38/1068685538.db2.gz UXHFUZLUGUCZAB-HPNDGRJYSA-N 0 0 456.612 4.518 20 30 JJEDRN COC(=O)C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC001464280611 1068688639 /nfs/dbraw/zinc/68/86/39/1068688639.db2.gz NIFRBNSDXFXGOP-HNNXBMFYSA-N 0 0 453.310 4.777 20 30 JJEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001464317760 1068703191 /nfs/dbraw/zinc/70/31/91/1068703191.db2.gz ZTFQYRGSXGBIIR-FQEVSTJZSA-N 0 0 456.461 4.511 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC001464353377 1068716662 /nfs/dbraw/zinc/71/66/62/1068716662.db2.gz ZZGWTKSYUSZIII-ZDXQCDESSA-N 0 0 461.562 4.773 20 30 JJEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001464356548 1068717915 /nfs/dbraw/zinc/71/79/15/1068717915.db2.gz BCJXDBOKVXVFKG-UHFFFAOYSA-N 0 0 455.555 4.626 20 30 JJEDRN Cc1cccc(S(=O)(=O)Oc2cc(C(C)(C)C)ccc2I)c1C#N ZINC001464374765 1068722996 /nfs/dbraw/zinc/72/29/96/1068722996.db2.gz IYPYNZVOPNFCLK-UHFFFAOYSA-N 0 0 455.317 4.537 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC001464408919 1068736246 /nfs/dbraw/zinc/73/62/46/1068736246.db2.gz KEKHYHJAZBMLIV-UHFFFAOYSA-N 0 0 451.954 4.569 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CCC ZINC001464575782 1068788359 /nfs/dbraw/zinc/78/83/59/1068788359.db2.gz ZUXJXUKRVXIDOY-SBUREZEXSA-N 0 0 451.954 4.845 20 30 JJEDRN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@]1(C)Cc1cccc(Br)c1 ZINC001464582045 1068790978 /nfs/dbraw/zinc/79/09/78/1068790978.db2.gz QNNMXEBWHYORJJ-HXUWFJFHSA-N 0 0 451.361 4.554 20 30 JJEDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC001464599095 1068795343 /nfs/dbraw/zinc/79/53/43/1068795343.db2.gz VDWQKDINBPWCHO-VWLOTQADSA-N 0 0 456.546 4.633 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCc4cc(C(C)(C)C)ccc4C3)C2)C1 ZINC001464619847 1068801585 /nfs/dbraw/zinc/80/15/85/1068801585.db2.gz OLJJJHLWVGEJRD-VITNCHFBSA-N 0 0 451.611 4.656 20 30 JJEDRN CN(C)c1cc(C#N)cc(C(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1 ZINC001464713132 1068835360 /nfs/dbraw/zinc/83/53/60/1068835360.db2.gz GKZGSIAEJKERJZ-AREMUKBSSA-N 0 0 458.993 4.825 20 30 JJEDRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164434723 718982734 /nfs/dbraw/zinc/98/27/34/718982734.db2.gz VEQYARQALCENHP-UZLBHIALSA-N 0 0 470.303 4.507 20 30 JJEDRN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3nc(Cl)ccc3C#N)CC2)c2ccccc21 ZINC001164631541 719140062 /nfs/dbraw/zinc/14/00/62/719140062.db2.gz NUMWTWQQCZRACD-FQEVSTJZSA-N 0 0 488.966 4.629 20 30 JJEDRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3nc(Cl)ccc3C#N)CC2)c2ccccc21 ZINC001164631549 719140278 /nfs/dbraw/zinc/14/02/78/719140278.db2.gz NUMWTWQQCZRACD-HXUWFJFHSA-N 0 0 488.966 4.629 20 30 JJEDRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@@H]3O2)n1 ZINC001164653087 719301734 /nfs/dbraw/zinc/30/17/34/719301734.db2.gz NYQRENAMLDMBDZ-UXPWSPDFSA-N 0 0 471.895 4.867 20 30 JJEDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2 ZINC001164664171 719346295 /nfs/dbraw/zinc/34/62/95/719346295.db2.gz STBVAACCUPHKQY-UHFFFAOYSA-N 0 0 482.966 4.846 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C3)C2)n1 ZINC001164663847 719358567 /nfs/dbraw/zinc/35/85/67/719358567.db2.gz HNTZYQFBUPSULH-DEOSSOPVSA-N 0 0 483.950 4.823 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C3)C2)n1 ZINC001164664498 719359205 /nfs/dbraw/zinc/35/92/05/719359205.db2.gz NODINBBGJFGRCY-XMMPIXPASA-N 0 0 499.949 4.930 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@@H]43)cnc2Cl)c1 ZINC001164762378 721011815 /nfs/dbraw/zinc/01/18/15/721011815.db2.gz VHTRTZVTPIFZLF-VABKMULXSA-N 0 0 482.918 4.634 20 30 JJEDRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C2)cs1 ZINC001164875578 721330259 /nfs/dbraw/zinc/33/02/59/721330259.db2.gz MQCMHVMROUZVFX-CYBMUJFWSA-N 0 0 499.374 4.620 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)cnc2Cl)cc1 ZINC001164881504 721367848 /nfs/dbraw/zinc/36/78/48/721367848.db2.gz DAHDBHIBEFGGDY-FCHUYYIVSA-N 0 0 498.892 4.578 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)cnc2Cl)c1 ZINC001164882658 721367889 /nfs/dbraw/zinc/36/78/89/721367889.db2.gz KLBXDWFPGMJFAJ-VXKWHMMOSA-N 0 0 498.892 4.578 20 30 JJEDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc4ccc(C)cc4c(Cl)c3C#N)C2)C1 ZINC001164784602 721377092 /nfs/dbraw/zinc/37/70/92/721377092.db2.gz QTTDWSPXHFHSDP-AREMUKBSSA-N 0 0 480.012 4.792 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2ccnc(Cl)c2C#N)CCO3)cs1 ZINC001164780500 721443095 /nfs/dbraw/zinc/44/30/95/721443095.db2.gz BXUPLWWWDZROTN-FOIQADDNSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cc(Cl)nc(C#N)c2)CCO3)cs1 ZINC001164780496 721443579 /nfs/dbraw/zinc/44/35/79/721443579.db2.gz BXNSABIDOYSKJB-FOIQADDNSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2ccc(Cl)nc2C#N)CCO3)cs1 ZINC001164780452 721443797 /nfs/dbraw/zinc/44/37/97/721443797.db2.gz AMZZWZXVHFPEQE-YWZLYKJASA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2nc(Cl)ccc2C#N)CCO3)cs1 ZINC001164784718 721444139 /nfs/dbraw/zinc/44/41/39/721444139.db2.gz QIVWQLBAEJIWSR-OXJNMPFZSA-N 0 0 468.957 4.509 20 30 JJEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cnc(Cl)nc1-c1cn(C)c3ccccc13)CC2 ZINC001164782507 721446385 /nfs/dbraw/zinc/44/63/85/721446385.db2.gz JXSZRFLCBVTJPS-UHFFFAOYSA-N 0 0 498.965 4.832 20 30 JJEDRN CCOC[C@H]1CN(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)Cc2cnn(C)c21 ZINC001164789146 721478737 /nfs/dbraw/zinc/47/87/37/721478737.db2.gz BJIGEZJNVBRSMF-CYBMUJFWSA-N 0 0 466.319 4.832 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](Cn4cccn4)C3)cnc2Cl)cc1 ZINC001164898044 721488215 /nfs/dbraw/zinc/48/82/15/721488215.db2.gz VCFIJDRCIGKVBW-GOSISDBHSA-N 0 0 479.922 4.548 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)cnc2Cl)c1 ZINC001164898380 721505622 /nfs/dbraw/zinc/50/56/22/721505622.db2.gz RDXIHPDGCMUIEE-QFIPXVFZSA-N 0 0 493.945 4.856 20 30 JJEDRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)CC2)Oc2ccccc21 ZINC001164801666 721593063 /nfs/dbraw/zinc/59/30/63/721593063.db2.gz FFENCGBYMMVFJO-GOSISDBHSA-N 0 0 488.966 4.972 20 30 JJEDRN COc1cc(C(F)(F)N2C[C@@H]3CCC[C@]3(COCc3cncc(C)c3)C2)c(C#N)c(Cl)n1 ZINC001164803511 721601331 /nfs/dbraw/zinc/60/13/31/721601331.db2.gz VBAMDMIZGVKPGM-HTAPYJJXSA-N 0 0 462.928 4.687 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)cnc1Cl ZINC001164797154 721605522 /nfs/dbraw/zinc/60/55/22/721605522.db2.gz AJCGTTNSQVFRPG-HXUWFJFHSA-N 0 0 480.302 4.559 20 30 JJEDRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2 ZINC001165010054 721722076 /nfs/dbraw/zinc/72/20/76/721722076.db2.gz FGOFEYFCIHFDDA-UHFFFAOYSA-N 0 0 485.970 4.661 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H](c2ccccc2)[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164911197 721741645 /nfs/dbraw/zinc/74/16/45/721741645.db2.gz IOTVMIMTKXHGOU-URXFXBBRSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164909134 721741890 /nfs/dbraw/zinc/74/18/90/721741890.db2.gz CEOKRSSQLOBNIB-XUZZJYLKSA-N 0 0 479.918 4.574 20 30 JJEDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)C2 ZINC001164911693 721765361 /nfs/dbraw/zinc/76/53/61/721765361.db2.gz QYJGJOSFAREPES-UHFFFAOYSA-N 0 0 486.963 4.977 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)c(Cl)nn2)c1 ZINC001165016923 721773435 /nfs/dbraw/zinc/77/34/35/721773435.db2.gz QFFDJRBNRZIMGW-XLIONFOSSA-N 0 0 483.906 4.548 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@]4(CCN(c5cncnc5)C4=O)C3)cnc2Cl)c1 ZINC001165024523 721785833 /nfs/dbraw/zinc/78/58/33/721785833.db2.gz XTKZPGVWMXWGIH-XMMPIXPASA-N 0 0 494.933 4.632 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@@H]21 ZINC001164943387 721947600 /nfs/dbraw/zinc/94/76/00/721947600.db2.gz NXOQLSRXPPQOOR-GOTSBHOMSA-N 0 0 471.586 4.529 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCN(CCc4ccccn4)CC3)cnc2Cl)c1 ZINC001165055592 722020822 /nfs/dbraw/zinc/02/08/22/722020822.db2.gz BCNBLJIOZKBQKM-UHFFFAOYSA-N 0 0 453.924 4.578 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCN(CCc4ccccn4)CC3)cc2c1Cl ZINC001165055915 722021117 /nfs/dbraw/zinc/02/11/17/722021117.db2.gz HNIPQZRQKNMDRJ-UHFFFAOYSA-N 0 0 462.331 4.718 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@H]4C(=O)NCc4cccnc4)C3)cnc2Cl)c1 ZINC001164961543 722035618 /nfs/dbraw/zinc/03/56/18/722035618.db2.gz WIBDZRHOKJMKFU-DHLKQENFSA-N 0 0 493.945 4.746 20 30 JJEDRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4nc(Cl)c(C#N)c(C(F)(F)F)n4)C3)CC2=O)s1 ZINC001164960438 722044375 /nfs/dbraw/zinc/04/43/75/722044375.db2.gz KQPJFWGODYLEAH-KRWDZBQOSA-N 0 0 491.873 4.569 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)Cc3ccccc3CNC4=O)c(Cl)nn2)c1 ZINC001164967907 722078652 /nfs/dbraw/zinc/07/86/52/722078652.db2.gz MTBPYKHFEQJIRE-UHFFFAOYSA-N 0 0 493.945 4.673 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CC(C(=O)NC5CCC5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164970367 722086271 /nfs/dbraw/zinc/08/62/71/722086271.db2.gz DHJSICCCFCEJIO-OALUTQOASA-N 0 0 470.951 4.950 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)cnc1Cl ZINC001164972252 722160739 /nfs/dbraw/zinc/16/07/39/722160739.db2.gz HTYGGWXBCKPFIQ-UHFFFAOYSA-N 0 0 456.924 4.836 20 30 JJEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CCO2 ZINC001164976938 722169474 /nfs/dbraw/zinc/16/94/74/722169474.db2.gz LFOSEAFPLMSEPA-FOIQADDNSA-N 0 0 455.958 4.982 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)CCO2 ZINC001164978682 722170015 /nfs/dbraw/zinc/17/00/15/722170015.db2.gz RQSNOSBRAWXSHU-FDDCHVKYSA-N 0 0 479.955 4.929 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)CCO2 ZINC001164980966 722170075 /nfs/dbraw/zinc/17/00/75/722170075.db2.gz ZGOXSZXQYUADRK-WMZHIEFXSA-N 0 0 474.939 4.792 20 30 JJEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4c(C#N)c(Cl)nc5ccc(F)c(C)c54)CC[C@H]32)cs1 ZINC001164993357 722186788 /nfs/dbraw/zinc/18/67/88/722186788.db2.gz YXJFOOVWADTVQJ-NHCUHLMSSA-N 0 0 486.016 4.842 20 30 JJEDRN Cc1nc(CN2CCO[C@H]3CCN(c4c(C#N)c(Cl)nc5cccc(C)c54)CC[C@@H]32)cs1 ZINC001164991490 722186813 /nfs/dbraw/zinc/18/68/13/722186813.db2.gz PFZMWLRBDYPHFU-SFTDATJTSA-N 0 0 468.026 4.703 20 30 JJEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5cc(F)c(F)cc5c(Cl)c4C#N)CC[C@H]32)cs1 ZINC001164993300 722186829 /nfs/dbraw/zinc/18/68/29/722186829.db2.gz YDYKLDZITCQROP-NHCUHLMSSA-N 0 0 489.979 4.673 20 30 JJEDRN Cc1nc(CN2CCO[C@H]3CCN(c4c(C#N)c(Cl)nc5ccc(F)c(C)c54)CC[C@@H]32)cs1 ZINC001164993360 722186839 /nfs/dbraw/zinc/18/68/39/722186839.db2.gz YXJFOOVWADTVQJ-SFTDATJTSA-N 0 0 486.016 4.842 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C3)C2)c1 ZINC001165003249 722258346 /nfs/dbraw/zinc/25/83/46/722258346.db2.gz FNEXAXKZEKXKOH-DEOSSOPVSA-N 0 0 483.950 4.823 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C3)C2)c1 ZINC001165003885 722258592 /nfs/dbraw/zinc/25/85/92/722258592.db2.gz LLUORGYCTRGHJB-DEOSSOPVSA-N 0 0 483.950 4.823 20 30 JJEDRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007895 722273571 /nfs/dbraw/zinc/27/35/71/722273571.db2.gz GPYGJBNZZCNWOV-GQNMWPQZSA-N 0 0 496.345 4.603 20 30 JJEDRN CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359716730 1064265160 /nfs/dbraw/zinc/26/51/60/1064265160.db2.gz RURREWUBKUQDRV-UHFFFAOYSA-N 0 0 467.618 4.541 20 30 JJEDRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CCOCC2)C1 ZINC001359729820 1064280835 /nfs/dbraw/zinc/28/08/35/1064280835.db2.gz HWKXHBTWCRDUAV-DEOSSOPVSA-N 0 0 451.615 4.522 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCOC1 ZINC001434870691 1064307863 /nfs/dbraw/zinc/30/78/63/1064307863.db2.gz ACCGAOUIHPOUCV-VWLOTQADSA-N 0 0 451.523 4.611 20 30 JJEDRN CC(C)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)CC1 ZINC001359742903 1064312452 /nfs/dbraw/zinc/31/24/52/1064312452.db2.gz WWCMFAFOSLSEGQ-FQEVSTJZSA-N 0 0 482.629 4.778 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001359745564 1064319638 /nfs/dbraw/zinc/31/96/38/1064319638.db2.gz MCHKOORYKUKVJJ-NRFANRHFSA-N 0 0 494.640 4.611 20 30 JJEDRN CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C(C)(C)C)s2)CCS1 ZINC001359747419 1064328129 /nfs/dbraw/zinc/32/81/29/1064328129.db2.gz AXVDBUJTBKQMME-GOSISDBHSA-N 0 0 467.668 4.592 20 30 JJEDRN CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCS1 ZINC001359747550 1064328982 /nfs/dbraw/zinc/32/89/82/1064328982.db2.gz DMMBRLQDEBAPRO-HXUWFJFHSA-N 0 0 484.670 4.698 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(C(C)(C)C)n2)CCO1 ZINC001359747713 1064330445 /nfs/dbraw/zinc/33/04/45/1064330445.db2.gz HECPWSXRSLKWQS-NRFANRHFSA-N 0 0 464.639 4.675 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCO1 ZINC001359748196 1064332801 /nfs/dbraw/zinc/33/28/01/1064332801.db2.gz QLQWFIHGOOUUCF-XPWALMASSA-N 0 0 465.642 4.908 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cscc2C(F)(F)F)CCO1 ZINC001359748141 1064332812 /nfs/dbraw/zinc/33/28/12/1064332812.db2.gz PGIXGJPCEGLSHI-IBGZPJMESA-N 0 0 461.513 4.807 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCOC1 ZINC001434914193 1064341218 /nfs/dbraw/zinc/34/12/18/1064341218.db2.gz AUJPAYSDDFVRAB-VWLOTQADSA-N 0 0 451.523 4.611 20 30 JJEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001434917519 1064344921 /nfs/dbraw/zinc/34/49/21/1064344921.db2.gz AHWBRQCXFJRGHA-UHFFFAOYSA-N 0 0 456.289 4.787 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CCS1 ZINC001359755354 1064347740 /nfs/dbraw/zinc/34/77/40/1064347740.db2.gz YJXPXWJVWDWNCD-ZTCOLXNVSA-N 0 0 483.682 4.902 20 30 JJEDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 ZINC001359755455 1064348495 /nfs/dbraw/zinc/34/84/95/1064348495.db2.gz AJRHJQCNDXJPAK-QAPCUYQASA-N 0 0 464.433 4.570 20 30 JJEDRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)(C#N)CC1 ZINC001359755491 1064349369 /nfs/dbraw/zinc/34/93/69/1064349369.db2.gz AVDONUHIDPKWCF-AZUAARDMSA-N 0 0 459.541 4.738 20 30 JJEDRN C=CCc1cc(CNC(=O)c2cc(C)nc3ccc(Br)cc32)cc(OC)c1OC ZINC001434921116 1064349606 /nfs/dbraw/zinc/34/96/06/1064349606.db2.gz UNSRSBZXDABIBO-UHFFFAOYSA-N 0 0 455.352 4.981 20 30 JJEDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001359756463 1064353946 /nfs/dbraw/zinc/35/39/46/1064353946.db2.gz RQSFUGMCMGAGKC-QMHWCDLVSA-N 0 0 472.431 4.899 20 30 JJEDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CCC#N)CC1CC1 ZINC001359762019 1064374494 /nfs/dbraw/zinc/37/44/94/1064374494.db2.gz PANIQKZLWGPNGK-NTKDMRAZSA-N 0 0 457.569 4.728 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 ZINC001359764196 1064382426 /nfs/dbraw/zinc/38/24/26/1064382426.db2.gz WXLMRWCFGAISHA-BWKNWUBXSA-N 0 0 479.650 4.920 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)cc1 ZINC001434974665 1064389462 /nfs/dbraw/zinc/38/94/62/1064389462.db2.gz DMRAUDZGNYWHGR-GOSISDBHSA-N 0 0 459.477 4.798 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1c(-c2cccs2)nc2ccccn21 ZINC001434976577 1064391352 /nfs/dbraw/zinc/39/13/52/1064391352.db2.gz NXILSUGXTNFEIM-MRXNPFEDSA-N 0 0 453.568 4.979 20 30 JJEDRN Cn1c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc2cc(C(F)(F)F)ccc21 ZINC001434983947 1064400413 /nfs/dbraw/zinc/40/04/13/1064400413.db2.gz PRELLIFKOFXSDQ-UHFFFAOYSA-N 0 0 454.452 4.560 20 30 JJEDRN N#Cc1cccc(OCCCCC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 ZINC001434984195 1064400453 /nfs/dbraw/zinc/40/04/53/1064400453.db2.gz AHDQSSOVLBJQNH-UHFFFAOYSA-N 0 0 453.542 4.878 20 30 JJEDRN CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001434993801 1064408902 /nfs/dbraw/zinc/40/89/02/1064408902.db2.gz OZJSGIZXXKLKRU-KRWDZBQOSA-N 0 0 456.356 4.524 20 30 JJEDRN CC(C)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001359773455 1064411688 /nfs/dbraw/zinc/41/16/88/1064411688.db2.gz PVHLTOJJGIFTLG-QFIPXVFZSA-N 0 0 462.642 4.774 20 30 JJEDRN CC(C)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)CC1 ZINC001359773408 1064411794 /nfs/dbraw/zinc/41/17/94/1064411794.db2.gz OJXDATJQRLKFHW-UHFFFAOYSA-N 0 0 488.558 4.538 20 30 JJEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001435021805 1064439650 /nfs/dbraw/zinc/43/96/50/1064439650.db2.gz BJTALCIPJLYGPC-QHCPKHFHSA-N 0 0 451.567 4.579 20 30 JJEDRN C#Cc1cccc(N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)C(C)C)c1 ZINC001435028481 1064445608 /nfs/dbraw/zinc/44/56/08/1064445608.db2.gz QOUAMHMHVWCCIY-UHFFFAOYSA-N 0 0 452.620 4.761 20 30 JJEDRN C#CCCOc1ccc(C(=O)N2CCCc3cccc(OCc4occc4C(=O)OC)c32)cc1 ZINC001359809999 1064484345 /nfs/dbraw/zinc/48/43/45/1064484345.db2.gz HMVFPVZKAIEEMZ-UHFFFAOYSA-N 0 0 459.498 4.640 20 30 JJEDRN COC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(OC(F)F)c1 ZINC001435067871 1064488288 /nfs/dbraw/zinc/48/82/88/1064488288.db2.gz ZKPRZGHSQYMWGK-UHFFFAOYSA-N 0 0 452.413 4.778 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001359818315 1064501778 /nfs/dbraw/zinc/50/17/78/1064501778.db2.gz ZVIIXZAKNHMSSQ-NHCUHLMSSA-N 0 0 451.615 4.601 20 30 JJEDRN N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)cc2)c1 ZINC001359818541 1064502467 /nfs/dbraw/zinc/50/24/67/1064502467.db2.gz HDGVKLVEYHWVKB-VWLOTQADSA-N 0 0 455.514 4.877 20 30 JJEDRN N#Cc1cccc(COc2ccc(NC(=O)CCC[NH+]3CCN(c4ccccc4)CC3)cc2)c1 ZINC001359819186 1064503355 /nfs/dbraw/zinc/50/33/55/1064503355.db2.gz TWXBFQOMJKIMAG-UHFFFAOYSA-N 0 0 454.574 4.678 20 30 JJEDRN CC(C)Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@H]1CSCCS1 ZINC001359830269 1064512634 /nfs/dbraw/zinc/51/26/34/1064512634.db2.gz GDQZQVUTVYNVRV-VXKWHMMOSA-N 0 0 455.697 4.656 20 30 JJEDRN CC[C@H](C)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107669 1064517130 /nfs/dbraw/zinc/51/71/30/1064517130.db2.gz BBJCOOOJBXZWEX-UUOWRZLLSA-N 0 0 451.998 4.837 20 30 JJEDRN CC[C@@H](C)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107657 1064517327 /nfs/dbraw/zinc/51/73/27/1064517327.db2.gz BBJCOOOJBXZWEX-KOSHJBKYSA-N 0 0 451.998 4.837 20 30 JJEDRN C#CC[C@@]1(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001435113659 1064522024 /nfs/dbraw/zinc/52/20/24/1064522024.db2.gz CSQKYXCVMYLSIZ-QHCPKHFHSA-N 0 0 456.930 4.654 20 30 JJEDRN COc1cccc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1OC1CCCC1 ZINC001435115046 1064522602 /nfs/dbraw/zinc/52/26/02/1064522602.db2.gz AZLMUGNMADDXDV-UHFFFAOYSA-N 0 0 451.542 4.560 20 30 JJEDRN Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3cccc(OCC#N)c3)[C@H]2c2cccs2)cc1 ZINC001435132740 1064537302 /nfs/dbraw/zinc/53/73/02/1064537302.db2.gz WRITUVHSQFCSJS-RDGATRHJSA-N 0 0 459.571 4.760 20 30 JJEDRN Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3cccc(OCC#N)c3)[C@@H]2c2cccs2)cc1 ZINC001435132738 1064537350 /nfs/dbraw/zinc/53/73/50/1064537350.db2.gz WRITUVHSQFCSJS-RCZVLFRGSA-N 0 0 459.571 4.760 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001359854889 1064541896 /nfs/dbraw/zinc/54/18/96/1064541896.db2.gz UXWNBGOQHXKIQC-QFIPXVFZSA-N 0 0 455.599 4.870 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001359854959 1064542839 /nfs/dbraw/zinc/54/28/39/1064542839.db2.gz XHPYCPVKXFHFGE-UHFFFAOYSA-N 0 0 455.352 4.606 20 30 JJEDRN CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001359859151 1064547184 /nfs/dbraw/zinc/54/71/84/1064547184.db2.gz WSNFAYMTYUUVBS-OFVILXPXSA-N 0 0 458.949 4.598 20 30 JJEDRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC001435157355 1064554239 /nfs/dbraw/zinc/55/42/39/1064554239.db2.gz LGBBAYXMUUQBEX-SANMLTNESA-N 0 0 451.570 4.761 20 30 JJEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001435160173 1064556284 /nfs/dbraw/zinc/55/62/84/1064556284.db2.gz ZUWZDFNZYUDGBK-GOSISDBHSA-N 0 0 453.543 4.669 20 30 JJEDRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1sccc1Br ZINC001359868420 1064560729 /nfs/dbraw/zinc/56/07/29/1064560729.db2.gz LGAOEBBCJDDVNT-IBGZPJMESA-N 0 0 486.439 4.798 20 30 JJEDRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCOC1CCCCCC1 ZINC001359869483 1064562219 /nfs/dbraw/zinc/56/22/19/1064562219.db2.gz ZJTWJSYJFVHWRV-DEOSSOPVSA-N 0 0 451.615 4.666 20 30 JJEDRN CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCOC1CCCCCC1 ZINC001359869484 1064562304 /nfs/dbraw/zinc/56/23/04/1064562304.db2.gz ZJTWJSYJFVHWRV-XMMPIXPASA-N 0 0 451.615 4.666 20 30 JJEDRN N#Cc1ccc(-n2nccc2NC(=O)c2cnc(-c3ccccc3Br)s2)cc1 ZINC001435167315 1064562608 /nfs/dbraw/zinc/56/26/08/1064562608.db2.gz CSDLFUABCXWJEG-UHFFFAOYSA-N 0 0 450.321 4.882 20 30 JJEDRN C#CCN(C(=O)Cc1cccc(OC/C=C\C)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC001435175982 1064569623 /nfs/dbraw/zinc/56/96/23/1064569623.db2.gz PDSGUVOFTABTJE-VYUBKGOISA-N 0 0 454.364 4.932 20 30 JJEDRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccncc2Cl)C1 ZINC001359885570 1064580730 /nfs/dbraw/zinc/58/07/30/1064580730.db2.gz CTIMCFVEZDLRTB-IBGZPJMESA-N 0 0 450.974 4.698 20 30 JJEDRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCCC2)C1 ZINC001359885656 1064580899 /nfs/dbraw/zinc/58/08/99/1064580899.db2.gz DRCXKGUWWMCWJX-JOCHJYFZSA-N 0 0 451.615 4.686 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001359891526 1064592514 /nfs/dbraw/zinc/59/25/14/1064592514.db2.gz SKTJLEORWRQPNM-YIXXDRMTSA-N 0 0 460.626 4.791 20 30 JJEDRN CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 ZINC001359900636 1064609188 /nfs/dbraw/zinc/60/91/88/1064609188.db2.gz QNYPWPIZKXFCAC-SANMLTNESA-N 0 0 453.631 4.788 20 30 JJEDRN Cn1nc2cc(Br)ccc2c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 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COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 ZINC001436547045 1065354320 /nfs/dbraw/zinc/35/43/20/1065354320.db2.gz POONYNDENSLTBE-JKSUJKDBSA-N 0 0 450.564 4.769 20 30 JJEDRN C[C@@H]1CCc2sc(NC(=O)c3ccc(Br)cc3-n3cncn3)c(C#N)c2[C@@H]1C ZINC001436547061 1065354429 /nfs/dbraw/zinc/35/44/29/1065354429.db2.gz PPYJQPCKVDNDIL-VXGBXAGGSA-N 0 0 456.369 4.901 20 30 JJEDRN C[C@@H](c1ccco1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C#N)o1 ZINC001360458785 1065359015 /nfs/dbraw/zinc/35/90/15/1065359015.db2.gz PHYAZTUKWBOYBH-KRWDZBQOSA-N 0 0 480.569 4.696 20 30 JJEDRN N#Cc1cc(NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)ccc1Br ZINC001436559198 1065361849 /nfs/dbraw/zinc/36/18/49/1065361849.db2.gz CFJIZHDZLAEMGC-UHFFFAOYSA-N 0 0 459.731 4.970 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@@](C)=O)CCC1 ZINC001360467648 1065381650 /nfs/dbraw/zinc/38/16/50/1065381650.db2.gz QITVZPKXYOORNG-ILHIWHGASA-N 0 0 462.044 4.853 20 30 JJEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001436588590 1065385433 /nfs/dbraw/zinc/38/54/33/1065385433.db2.gz WHUMHGNZITUJBZ-GDBMZVCRSA-N 0 0 458.331 4.633 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCNC(=O)C1CCC1 ZINC001360469852 1065386051 /nfs/dbraw/zinc/38/60/51/1065386051.db2.gz IHZGJMIONXPDKX-QGZVFWFLSA-N 0 0 480.613 4.857 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1cccs1 ZINC001360470151 1065387356 /nfs/dbraw/zinc/38/73/56/1065387356.db2.gz MFMZWMSJZTZWMU-QMHKHESXSA-N 0 0 455.653 4.983 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1CCOCC1 ZINC001360470477 1065388249 /nfs/dbraw/zinc/38/82/49/1065388249.db2.gz QNSSQRLFGNSWII-CYBMUJFWSA-N 0 0 452.784 4.526 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001360470521 1065388373 /nfs/dbraw/zinc/38/83/73/1065388373.db2.gz REGWJUJKWLRVQF-CYBMUJFWSA-N 0 0 463.330 4.934 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccnc(OCC2CC2)c1 ZINC001360470602 1065389003 /nfs/dbraw/zinc/38/90/03/1065389003.db2.gz SBMLMNLFUHTCEL-MRXNPFEDSA-N 0 0 481.398 4.678 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOc1ncccc1F ZINC001360470861 1065389633 /nfs/dbraw/zinc/38/96/33/1065389633.db2.gz WEODHVRIJDRCAR-CYBMUJFWSA-N 0 0 493.768 4.712 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001360470926 1065390258 /nfs/dbraw/zinc/39/02/58/1065390258.db2.gz XMXMHDWVPYGACG-PLMTUMEDSA-N 0 0 483.414 4.942 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001360470924 1065390393 /nfs/dbraw/zinc/39/03/93/1065390393.db2.gz XMXMHDWVPYGACG-HGHGUNKESA-N 0 0 483.414 4.942 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cccc1N1CCCC1 ZINC001360472005 1065392208 /nfs/dbraw/zinc/39/22/08/1065392208.db2.gz TWJTUNWARRSHRG-INIZCTEOSA-N 0 0 453.953 4.519 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cccc3cccnc32)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360471919 1065392219 /nfs/dbraw/zinc/39/22/19/1065392219.db2.gz RJSSACQEGWBFAL-INIZCTEOSA-N 0 0 481.482 4.724 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cccnc1OCC(F)(F)F ZINC001360474047 1065393508 /nfs/dbraw/zinc/39/35/08/1065393508.db2.gz GBNAQUNPUWBYCL-INIZCTEOSA-N 0 0 483.498 4.560 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cccnc1OCC(F)(F)F ZINC001360474833 1065394057 /nfs/dbraw/zinc/39/40/57/1065394057.db2.gz WQSPWCLFMCFULY-INIZCTEOSA-N 0 0 497.481 4.723 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCc2ccccc21 ZINC001360477395 1065395060 /nfs/dbraw/zinc/39/50/60/1065395060.db2.gz ZJOGCOXYQSGCKY-HJNYFJLDSA-N 0 0 478.641 4.861 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccccn1 ZINC001360477258 1065395072 /nfs/dbraw/zinc/39/50/72/1065395072.db2.gz XRHWWQIYLFRWTP-PMACEKPBSA-N 0 0 481.645 4.504 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOc2ccccc21 ZINC001360476849 1065395177 /nfs/dbraw/zinc/39/51/77/1065395177.db2.gz RVYRDRRDRAUWBT-QHAWAJNXSA-N 0 0 494.640 4.697 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360478054 1065395951 /nfs/dbraw/zinc/39/59/51/1065395951.db2.gz FGFJPQLLVOQUDU-CYBMUJFWSA-N 0 0 468.936 4.979 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCNC(=O)OC(C)(C)C ZINC001360479312 1065396640 /nfs/dbraw/zinc/39/66/40/1065396640.db2.gz USCOMXKFPFBXFG-KRWDZBQOSA-N 0 0 461.010 4.566 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cnn2ccccc12 ZINC001360480646 1065399034 /nfs/dbraw/zinc/39/90/34/1065399034.db2.gz DPJATCZGFKUQHH-LJQANCHMSA-N 0 0 457.582 4.589 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1coc2ccccc12 ZINC001360482712 1065402007 /nfs/dbraw/zinc/40/20/07/1065402007.db2.gz JOBBSWBGJTZPCT-PXNSSMCTSA-N 0 0 464.570 4.883 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1coc2ccccc12 ZINC001360482713 1065402030 /nfs/dbraw/zinc/40/20/30/1065402030.db2.gz JOBBSWBGJTZPCT-XLIONFOSSA-N 0 0 464.570 4.883 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(OC2CCCC2)c1 ZINC001360483166 1065403111 /nfs/dbraw/zinc/40/31/11/1065403111.db2.gz SPQVGYAFZKZFKG-JMUQELJHSA-N 0 0 466.630 4.700 20 30 JJEDRN C#C[C@H](NC(=O)c1ccccc1Sc1ccc(S(=O)(=O)CC)cc1)c1ccc(F)cc1 ZINC001436643071 1065414204 /nfs/dbraw/zinc/41/42/04/1065414204.db2.gz GEEFKOLXIMMPAR-QFIPXVFZSA-N 0 0 453.560 4.875 20 30 JJEDRN C#C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC001436650834 1065417379 /nfs/dbraw/zinc/41/73/79/1065417379.db2.gz FRTSPLNUKKALOH-BZNIZROVSA-N 0 0 455.121 4.609 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC001436649959 1065417477 /nfs/dbraw/zinc/41/74/77/1065417477.db2.gz SLXMNYAKIALXFH-DYESRHJHSA-N 0 0 458.967 4.960 20 30 JJEDRN C#C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1F ZINC001436652990 1065418957 /nfs/dbraw/zinc/41/89/57/1065418957.db2.gz PVWMNSITJSSOBF-RTBURBONSA-N 0 0 453.728 4.881 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)ccc1Cl ZINC001436657635 1065419781 /nfs/dbraw/zinc/41/97/81/1065419781.db2.gz WNBYIDNFPOHBIR-JJXUHFIVSA-N 0 0 462.974 4.779 20 30 JJEDRN CCOc1cc(C(=O)Nc2cc3ccccc3cc2C#N)ccc1OCC(=O)N1CCCCC1 ZINC001436735728 1065433052 /nfs/dbraw/zinc/43/30/52/1065433052.db2.gz ZWTYNTBAFJPXBI-UHFFFAOYSA-N 0 0 457.530 4.754 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@](C)(Cc1ccccc1)C1CC1 ZINC001436806246 1065443633 /nfs/dbraw/zinc/44/36/33/1065443633.db2.gz DYEWSEPFKZRLDS-HSZRJFAPSA-N 0 0 457.368 4.626 20 30 JJEDRN CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1 ZINC001436842626 1065450153 /nfs/dbraw/zinc/45/01/53/1065450153.db2.gz VUFILGNDQJAEIT-IBGZPJMESA-N 0 0 457.983 4.575 20 30 JJEDRN COC(=O)Nc1cc(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cc(C(F)(F)F)c1 ZINC001436868224 1065457446 /nfs/dbraw/zinc/45/74/46/1065457446.db2.gz OTEOGLPHOTZBAN-UHFFFAOYSA-N 0 0 454.408 4.997 20 30 JJEDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 ZINC001360513493 1065460229 /nfs/dbraw/zinc/46/02/29/1065460229.db2.gz AZYKWAJGUOWKQG-KRWDZBQOSA-N 0 0 474.556 4.555 20 30 JJEDRN CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360513998 1065463542 /nfs/dbraw/zinc/46/35/42/1065463542.db2.gz LOOGSQAUPJLWMZ-KNQAVFIVSA-N 0 0 466.630 4.945 20 30 JJEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H]3Cc3ccccc3Br)C2)c(F)c1 ZINC001436886996 1065465206 /nfs/dbraw/zinc/46/52/06/1065465206.db2.gz BCOAEGRXIMCTBA-OALUTQOASA-N 0 0 456.359 4.520 20 30 JJEDRN Cc1nc(SCC(=O)N2CCC[C@@H]2Cc2ccccc2Br)c(C#N)c(C)c1C ZINC001436890808 1065465248 /nfs/dbraw/zinc/46/52/48/1065465248.db2.gz LBVYVLAEHBDWGD-GOSISDBHSA-N 0 0 458.425 4.967 20 30 JJEDRN CCCCCn1nc(C(=O)Nc2ccc(Br)c(C#N)c2C)c2ccccc2c1=O 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C=CCn1c(SCC(=O)Nc2ccc(-c3ncc[nH]3)cc2)nnc1-c1ccc(Cl)cc1 ZINC001442525255 1066132567 /nfs/dbraw/zinc/13/25/67/1066132567.db2.gz RXPKGHFJPMCISJ-UHFFFAOYSA-N 0 0 450.955 4.905 20 30 JJEDRN Cc1ccsc1Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C#N ZINC001360976722 1066132769 /nfs/dbraw/zinc/13/27/69/1066132769.db2.gz QGHMBGAUNJJCOA-AWEZNQCLSA-N 0 0 460.401 4.634 20 30 JJEDRN Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001442534033 1066133719 /nfs/dbraw/zinc/13/37/19/1066133719.db2.gz XKEWWRBKFMQPAS-UHFFFAOYSA-N 0 0 458.522 4.841 20 30 JJEDRN C=CCc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)cc(OC)c1OC ZINC001442528115 1066133782 /nfs/dbraw/zinc/13/37/82/1066133782.db2.gz UQVHHDACCYEQGX-JOCHJYFZSA-N 0 0 454.567 4.623 20 30 JJEDRN C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CCCN1C(=O)OC(C)(C)C ZINC001360981232 1066139487 /nfs/dbraw/zinc/13/94/87/1066139487.db2.gz KQDKNHHGTKAOHG-VWLOTQADSA-N 0 0 450.539 4.618 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N(C)C)nc1 ZINC001360986352 1066151421 /nfs/dbraw/zinc/15/14/21/1066151421.db2.gz BHQHMNOMSZWNFI-VQIMIIECSA-N 0 0 482.032 4.794 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CCCc1cnn(C)c1 ZINC001360986683 1066153701 /nfs/dbraw/zinc/15/37/01/1066153701.db2.gz JRUHLPFJVJRXPO-QFBILLFUSA-N 0 0 470.021 4.651 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCOC[C@H]1C ZINC001360986853 1066155302 /nfs/dbraw/zinc/15/53/02/1066155302.db2.gz NQFLGPBKDCYTOH-XLNTUCKNSA-N 0 0 460.022 4.957 20 30 JJEDRN Cc1nccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC#N ZINC001360987063 1066156598 /nfs/dbraw/zinc/15/65/98/1066156598.db2.gz ROAWXAOLYWRAHM-MSOLQXFVSA-N 0 0 455.994 4.632 20 30 JJEDRN Cc1nccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC#N ZINC001360987066 1066156668 /nfs/dbraw/zinc/15/66/68/1066156668.db2.gz ROAWXAOLYWRAHM-ZWKOTPCHSA-N 0 0 455.994 4.632 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1([S@](C)=O)CCC1 ZINC001360989204 1066159797 /nfs/dbraw/zinc/15/97/97/1066159797.db2.gz AQIKGMKXJXNSDQ-XHVUARLKSA-N 0 0 490.073 4.730 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCOC1 ZINC001360989344 1066160650 /nfs/dbraw/zinc/16/06/50/1066160650.db2.gz CTHPXFVSUXXJJJ-UYAOXDASSA-N 0 0 458.006 4.855 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCOC1 ZINC001360989343 1066160667 /nfs/dbraw/zinc/16/06/67/1066160667.db2.gz CTHPXFVSUXXJJJ-QUCCMNQESA-N 0 0 458.006 4.855 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C(C)C ZINC001360989477 1066161320 /nfs/dbraw/zinc/16/13/20/1066161320.db2.gz FTIJZXDTODIXLG-KBMIEXCESA-N 0 0 487.048 4.591 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1cn[nH]c1 ZINC001360990150 1066166210 /nfs/dbraw/zinc/16/62/10/1066166210.db2.gz QIBSCCXKRNXUKQ-SFHVURJKSA-N 0 0 468.005 4.784 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C)COC1 ZINC001360990837 1066169241 /nfs/dbraw/zinc/16/92/41/1066169241.db2.gz ZWECIOQIZNMVFD-MBSDFSHPSA-N 0 0 458.006 4.855 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C)COC1 ZINC001360990836 1066169274 /nfs/dbraw/zinc/16/92/74/1066169274.db2.gz ZWECIOQIZNMVFD-JPYJTQIMSA-N 0 0 458.006 4.855 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)c(C)o1 ZINC001360997191 1066175681 /nfs/dbraw/zinc/17/56/81/1066175681.db2.gz CFTUVODFTYHABK-ZBLYBZFDSA-N 0 0 477.609 4.892 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H](C)CC#N)c(C)o1 ZINC001360997923 1066176794 /nfs/dbraw/zinc/17/67/94/1066176794.db2.gz QEERBHUAVBOZIV-MCMMXHMISA-N 0 0 490.377 4.703 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@@H](C)C#N)c(C)o1 ZINC001360998053 1066177058 /nfs/dbraw/zinc/17/70/58/1066177058.db2.gz SXOCZQYSWIPPEH-ZUTJGWLVSA-N 0 0 465.598 4.748 20 30 JJEDRN Cc1cc(C)n2nc(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)c(C#N)c3)nc2n1 ZINC001361005968 1066184098 /nfs/dbraw/zinc/18/40/98/1066184098.db2.gz FUEZHNZNTGPDOA-UHFFFAOYSA-N 0 0 452.396 4.676 20 30 JJEDRN Cc1cccc([C@@H](C)Cn2c(N3CCC(CC#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361007289 1066186453 /nfs/dbraw/zinc/18/64/53/1066186453.db2.gz IDFXENUWUCRWDZ-LVXARBLLSA-N 0 0 451.615 4.561 20 30 JJEDRN Cc1cc(C)cc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H](C)C#N)c1 ZINC001361015439 1066203427 /nfs/dbraw/zinc/20/34/27/1066203427.db2.gz YROFKLUJDDPBLB-KRWDZBQOSA-N 0 0 455.404 4.502 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(I)c2C)c1C ZINC001361016540 1066204370 /nfs/dbraw/zinc/20/43/70/1066204370.db2.gz PTJKAYGIBVQSSK-UHFFFAOYSA-N 0 0 456.287 4.526 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(C)c2I)c1C ZINC001361016765 1066204853 /nfs/dbraw/zinc/20/48/53/1066204853.db2.gz TVNUUNHZDFFFKQ-UHFFFAOYSA-N 0 0 456.287 4.526 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC001453946012 1066223969 /nfs/dbraw/zinc/22/39/69/1066223969.db2.gz NCLKIUIXWOMDFD-LXFBAYGMSA-N 0 0 459.590 4.877 20 30 JJEDRN CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC001453973270 1066227757 /nfs/dbraw/zinc/22/77/57/1066227757.db2.gz PAYZKAAQPUGBPK-VXKWHMMOSA-N 0 0 459.631 4.638 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCCCc1cc(-c2ccccc2)no1 ZINC001442830995 1066228413 /nfs/dbraw/zinc/22/84/13/1066228413.db2.gz ARCJKLZRKZREJA-JOCHJYFZSA-N 0 0 453.583 4.820 20 30 JJEDRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)O1 ZINC001546056911 1066229919 /nfs/dbraw/zinc/22/99/19/1066229919.db2.gz LGHCVDKZDZFCPB-WOSKWAQLSA-N 0 0 477.531 4.711 20 30 JJEDRN Cc1nccn1CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C)(C#N)CC1 ZINC001361029052 1066236044 /nfs/dbraw/zinc/23/60/44/1066236044.db2.gz YAHRDHGPYLKGNE-UHFFFAOYSA-N 0 0 461.614 4.589 20 30 JJEDRN CC[C@@H](C(=O)N1CCC(NC(=O)c2cn(CCCC#N)c3ccccc23)CC1)c1ccccc1 ZINC001442927160 1066242406 /nfs/dbraw/zinc/24/24/06/1066242406.db2.gz XDAAPXIHKLSEDY-HSZRJFAPSA-N 0 0 456.590 4.860 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)O1 ZINC001546057880 1066244687 /nfs/dbraw/zinc/24/46/87/1066244687.db2.gz YEBSYGFQCZZQEZ-NZQKXSOJSA-N 0 0 459.541 4.558 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)O1 ZINC001546057879 1066244880 /nfs/dbraw/zinc/24/48/80/1066244880.db2.gz YEBSYGFQCZZQEZ-NFBKMPQASA-N 0 0 459.541 4.558 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001442975258 1066249190 /nfs/dbraw/zinc/24/91/90/1066249190.db2.gz XVTCIDAYLCHSRT-AOIWGVFYSA-N 0 0 467.379 4.891 20 30 JJEDRN CCC[C@@H]1CCc2nc(NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)sc2C1 ZINC001443015518 1066253320 /nfs/dbraw/zinc/25/33/20/1066253320.db2.gz MONVPRYEWWDXMC-CYBMUJFWSA-N 0 0 459.413 4.757 20 30 JJEDRN Cc1nc(NC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)sc1SCC#N ZINC001443048212 1066258023 /nfs/dbraw/zinc/25/80/23/1066258023.db2.gz NYIHRXFSLFQIPT-UHFFFAOYSA-N 0 0 450.471 4.872 20 30 JJEDRN Cc1nc(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)sc1SCC#N ZINC001443044378 1066258211 /nfs/dbraw/zinc/25/82/11/1066258211.db2.gz AYGLYSGOOILAEW-GOSISDBHSA-N 0 0 452.561 4.673 20 30 JJEDRN Cc1cc(C)cc(OCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H](C)C#N)c1 ZINC001361041632 1066264249 /nfs/dbraw/zinc/26/42/49/1066264249.db2.gz FDAMKZNENKFZKR-YADHBBJMSA-N 0 0 496.656 4.684 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccnc2OCC(F)(F)F)c2ccccc2n1 ZINC001361044939 1066268660 /nfs/dbraw/zinc/26/86/60/1066268660.db2.gz JAXKMVAFDLOZHC-QGZVFWFLSA-N 0 0 495.509 4.925 20 30 JJEDRN Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccnc(OC(F)F)c2)c(C)n1-c1ccccc1 ZINC001361045786 1066271703 /nfs/dbraw/zinc/27/17/03/1066271703.db2.gz JXXLYVJUCFIPGI-KRWDZBQOSA-N 0 0 491.546 4.993 20 30 JJEDRN Cc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCC(F)(F)C(F)F)c2ccccc2n1 ZINC001361050440 1066285865 /nfs/dbraw/zinc/28/58/65/1066285865.db2.gz ZIWKBTWGQQSSOO-HSZRJFAPSA-N 0 0 490.505 4.849 20 30 JJEDRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC001443351364 1066298325 /nfs/dbraw/zinc/29/83/25/1066298325.db2.gz AARKKRRCIMZJIM-VOIUYBSRSA-N 0 0 459.933 4.948 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1OC ZINC001454579153 1066304325 /nfs/dbraw/zinc/30/43/25/1066304325.db2.gz NGZPXJXOCSXRQS-ZAHGZRRWSA-N 0 0 458.599 4.815 20 30 JJEDRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)cc2)c(C)c1C ZINC001454651260 1066314806 /nfs/dbraw/zinc/31/48/06/1066314806.db2.gz JGWLOTQNZXYRIZ-JTHBVZDNSA-N 0 0 453.608 4.794 20 30 JJEDRN Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC001361074069 1066315110 /nfs/dbraw/zinc/31/51/10/1066315110.db2.gz WCOFIEHKPMBFHZ-KRWDZBQOSA-N 0 0 478.622 4.681 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1OCCC1(C)C ZINC001361087896 1066328439 /nfs/dbraw/zinc/32/84/39/1066328439.db2.gz QDNXCDHKDYCIKH-NQIIRXRSSA-N 0 0 460.022 4.805 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1OC ZINC001454734823 1066328880 /nfs/dbraw/zinc/32/88/80/1066328880.db2.gz QYVVZFXERFJYSY-QXHGNLAOSA-N 0 0 458.599 4.815 20 30 JJEDRN Cc1nc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CC[C@](F)(C#N)C2)sc1C ZINC001361088054 1066329154 /nfs/dbraw/zinc/32/91/54/1066329154.db2.gz FKMBYABMBHYFKZ-QHCPKHFHSA-N 0 0 489.020 4.815 20 30 JJEDRN COc1ccc([C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 ZINC001361088036 1066329170 /nfs/dbraw/zinc/32/91/70/1066329170.db2.gz JDVFXUFTBIMNLK-FCHUYYIVSA-N 0 0 455.530 4.627 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001361088531 1066331747 /nfs/dbraw/zinc/33/17/47/1066331747.db2.gz IYLAKIDZEYRRQP-PZJWPPBQSA-N 0 0 472.033 4.664 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545960288 1066331805 /nfs/dbraw/zinc/33/18/05/1066331805.db2.gz AHSFYEWQYFLBQN-KGLIPLIRSA-N 0 0 497.463 4.668 20 30 JJEDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc2c(cccc2OC(F)(F)F)[nH]1 ZINC001443589249 1066333612 /nfs/dbraw/zinc/33/36/12/1066333612.db2.gz CELYLHQOGXBPIF-UHFFFAOYSA-N 0 0 451.298 4.993 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCC[C@H]1C ZINC001361088964 1066333830 /nfs/dbraw/zinc/33/38/30/1066333830.db2.gz NXQNICPTIAGZBE-LIKDZFNVSA-N 0 0 486.060 4.933 20 30 JJEDRN CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC001454880203 1066337263 /nfs/dbraw/zinc/33/72/63/1066337263.db2.gz WUOJICSFWBAHED-UHFFFAOYSA-N 0 0 450.341 4.758 20 30 JJEDRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1c(Br)nc2n1CCC2 ZINC001443646392 1066343951 /nfs/dbraw/zinc/34/39/51/1066343951.db2.gz SILMFGQLUGVRNU-UHFFFAOYSA-N 0 0 453.315 4.758 20 30 JJEDRN Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC2(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC001454972313 1066348073 /nfs/dbraw/zinc/34/80/73/1066348073.db2.gz WRTGZURHJWAXGO-UHFFFAOYSA-N 0 0 450.583 4.827 20 30 JJEDRN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001546067296 1066353797 /nfs/dbraw/zinc/35/37/97/1066353797.db2.gz LCYOZTLDIZUCSW-VNHYZAJKSA-N 0 0 450.358 4.595 20 30 JJEDRN CCOc1ccccc1[C@@H](CC(=O)Nc1ccccc1O[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001546069218 1066365197 /nfs/dbraw/zinc/36/51/97/1066365197.db2.gz HCXVMYYBRWZXPK-YLJYHZDGSA-N 0 0 453.539 4.971 20 30 JJEDRN Cc1cc2cc(Cn3c([C@@H]4CCCN4C(=O)OC(C)(C)C)nnc3N(C)C[C@H](C)C#N)ccc2[nH]1 ZINC001361115507 1066367177 /nfs/dbraw/zinc/36/71/77/1066367177.db2.gz MUPBMUSURMQYQO-VGSWGCGISA-N 0 0 477.613 4.784 20 30 JJEDRN Cc1ccc(C(=O)NC2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCSC(C)C)CC2)s1 ZINC001361117143 1066368439 /nfs/dbraw/zinc/36/84/39/1066368439.db2.gz BJPFEOSIJYLMJE-UHFFFAOYSA-N 0 0 494.690 4.727 20 30 JJEDRN O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001455203540 1066370217 /nfs/dbraw/zinc/37/02/17/1066370217.db2.gz YYVKCYIFBOBHFN-INIZCTEOSA-N 0 0 457.367 4.777 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545962729 1066375265 /nfs/dbraw/zinc/37/52/65/1066375265.db2.gz IVTCVLJWJFMFHF-GHTZIAJQSA-N 0 0 452.603 4.746 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCN2CCOCC2(C)C)c1 ZINC001361125766 1066379582 /nfs/dbraw/zinc/37/95/82/1066379582.db2.gz CSMAHKLPWOHBIV-UHFFFAOYSA-N 0 0 494.684 4.530 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 ZINC001444006657 1066393987 /nfs/dbraw/zinc/39/39/87/1066393987.db2.gz XZHJKNHFZZPCGQ-JOCHJYFZSA-N 0 0 458.518 4.741 20 30 JJEDRN C=CC1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC001444020614 1066395300 /nfs/dbraw/zinc/39/53/00/1066395300.db2.gz SSZYWKTUFUAQHU-UHFFFAOYSA-N 0 0 453.391 4.761 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(C)C)c1 ZINC001361130460 1066395678 /nfs/dbraw/zinc/39/56/78/1066395678.db2.gz NGDMMWISMLYFEW-JOCHJYFZSA-N 0 0 450.631 4.512 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001455533948 1066406729 /nfs/dbraw/zinc/40/67/29/1066406729.db2.gz VQHUDBLRXVIBCW-VSKRKVRLSA-N 0 0 467.516 4.558 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)c3ccc(COc4ccc(C#N)cc4)o3)CCC[C@@H]12 ZINC001455534881 1066406879 /nfs/dbraw/zinc/40/68/79/1066406879.db2.gz YRWUALPYUWECCO-ATIYNZHBSA-N 0 0 465.550 4.640 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001455534084 1066406928 /nfs/dbraw/zinc/40/69/28/1066406928.db2.gz VQHUDBLRXVIBCW-YPAWHYETSA-N 0 0 467.516 4.558 20 30 JJEDRN CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1C#N ZINC001444168223 1066424584 /nfs/dbraw/zinc/42/45/84/1066424584.db2.gz FDRQVFNZTHSUEU-OAHLLOKOSA-N 0 0 457.559 4.691 20 30 JJEDRN C=CC1(CC(=O)Nc2cccc(CN(C)Cc3cscn3)c2)CN(C(=O)OC(C)(C)C)C1 ZINC001444169390 1066424906 /nfs/dbraw/zinc/42/49/06/1066424906.db2.gz NTHWYUOQQPJTBV-UHFFFAOYSA-N 0 0 456.612 4.527 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361145090 1066427511 /nfs/dbraw/zinc/42/75/11/1066427511.db2.gz OVKCBJNMQKGCMS-QGZVFWFLSA-N 0 0 458.488 4.674 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361145433 1066428119 /nfs/dbraw/zinc/42/81/19/1066428119.db2.gz XTRFXDAWTWONEY-CEMLEFRQSA-N 0 0 496.656 4.858 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCNc2ncc(Cl)cc2Cl)c1 ZINC001361145943 1066431057 /nfs/dbraw/zinc/43/10/57/1066431057.db2.gz NGBBLEPQVHMWSD-INIZCTEOSA-N 0 0 488.423 4.884 20 30 JJEDRN CC(C)(C)OC(=O)CC[C@H]1Cc2ccccc2N(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC001455809208 1066435273 /nfs/dbraw/zinc/43/52/73/1066435273.db2.gz PQBRDZAQCSQABS-FQEVSTJZSA-N 0 0 456.546 4.685 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)c2nccs2)c1 ZINC001361151879 1066444665 /nfs/dbraw/zinc/44/46/65/1066444665.db2.gz GBBLDBAUXURTHO-IBGZPJMESA-N 0 0 450.612 4.864 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001361152014 1066445339 /nfs/dbraw/zinc/44/53/39/1066445339.db2.gz OLMRXUHCLSAJIJ-UHFFFAOYSA-N 0 0 474.609 4.835 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361152994 1066447963 /nfs/dbraw/zinc/44/79/63/1066447963.db2.gz TYCOXOXTSKFLIG-QHCPKHFHSA-N 0 0 451.615 4.953 20 30 JJEDRN C=CC1(CC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001444346402 1066452585 /nfs/dbraw/zinc/45/25/85/1066452585.db2.gz XSUUVLGNFTZAJO-QHCPKHFHSA-N 0 0 450.579 4.874 20 30 JJEDRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC001444412946 1066460127 /nfs/dbraw/zinc/46/01/27/1066460127.db2.gz RUKSESZJSSTYMZ-KRWDZBQOSA-N 0 0 456.575 4.900 20 30 JJEDRN Cc1cc(C(=O)Oc2ccccc2C(=O)OCc2ccc(Br)cc2)ncc1C#N ZINC001455959744 1066460654 /nfs/dbraw/zinc/46/06/54/1066460654.db2.gz JDPYSFPLBFCIPE-UHFFFAOYSA-N 0 0 451.276 4.600 20 30 JJEDRN Cc1cc(C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)c(C)n1-c1ccc(C#N)cc1 ZINC001455975088 1066464372 /nfs/dbraw/zinc/46/43/72/1066464372.db2.gz DAQTUWRPQBQAQF-UHFFFAOYSA-N 0 0 452.436 4.670 20 30 JJEDRN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)NC(=O)OC(C)(C)C)cc1 ZINC001444512158 1066471027 /nfs/dbraw/zinc/47/10/27/1066471027.db2.gz SEQZIOHFXRIHNF-QFIPXVFZSA-N 0 0 450.583 4.550 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@](C)(O)CCC(C)C)cc1Br ZINC001361175220 1066492859 /nfs/dbraw/zinc/49/28/59/1066492859.db2.gz GWQRZFXEMMXTFR-KSFYIVLOSA-N 0 0 462.436 4.799 20 30 JJEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001444680678 1066492923 /nfs/dbraw/zinc/49/29/23/1066492923.db2.gz NZRMFKKPVIZUDS-UHFFFAOYSA-N 0 0 457.416 4.737 20 30 JJEDRN O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cscc1C(F)(F)F ZINC001444833554 1066510514 /nfs/dbraw/zinc/51/05/14/1066510514.db2.gz IEIQEHCVOFHWMW-CYBMUJFWSA-N 0 0 451.310 4.966 20 30 JJEDRN CCS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1 ZINC001456107582 1066511064 /nfs/dbraw/zinc/51/10/64/1066511064.db2.gz QYVPZMFFWPGYJK-UHFFFAOYSA-N 0 0 456.926 4.991 20 30 JJEDRN C[C@@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)n1nnnc1C(C)(C)C ZINC001444928842 1066518896 /nfs/dbraw/zinc/51/88/96/1066518896.db2.gz CVMFAVAPPKAOQP-ZDUSSCGKSA-N 0 0 458.444 4.853 20 30 JJEDRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001546080034 1066521129 /nfs/dbraw/zinc/52/11/29/1066521129.db2.gz ZKPLWZITWTZSIT-AREMUKBSSA-N 0 0 478.597 4.707 20 30 JJEDRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2Cc2ccc(C#N)o2)cc1Br ZINC001361196845 1066524987 /nfs/dbraw/zinc/52/49/87/1066524987.db2.gz UZCCCZYZHGCFSF-HUUCEWRRSA-N 0 0 472.412 4.859 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)OC ZINC001545971171 1066525415 /nfs/dbraw/zinc/52/54/15/1066525415.db2.gz SSKXAORSRREZIR-LBPRGKRZSA-N 0 0 454.390 4.830 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361197952 1066525970 /nfs/dbraw/zinc/52/59/70/1066525970.db2.gz CMNBFJOYGUSGKT-HXUWFJFHSA-N 0 0 468.602 4.766 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N[C@@H](c2nccs2)c2ccccc2)nnc1-c1ccco1 ZINC001456178559 1066530476 /nfs/dbraw/zinc/53/04/76/1066530476.db2.gz MDMVUFRUSDDARC-LJQANCHMSA-N 0 0 451.577 4.569 20 30 JJEDRN C#CCOc1ccc(F)cc1NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC001445025303 1066530468 /nfs/dbraw/zinc/53/04/68/1066530468.db2.gz BETJFEPOJSYBKK-XFFZJAGNSA-N 0 0 450.466 4.682 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(F)(F)C2)cc1Br ZINC001361205408 1066536846 /nfs/dbraw/zinc/53/68/46/1066536846.db2.gz INHITLWUWXUNTD-IFXJQAMLSA-N 0 0 468.321 4.893 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@@H](Cc4ccc(C#N)cc4)C3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361211905 1066545981 /nfs/dbraw/zinc/54/59/81/1066545981.db2.gz COQMKFFRCHKKDP-QFIPXVFZSA-N 0 0 490.608 4.702 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccc(OCC(F)(F)F)c2)o1 ZINC001361213332 1066548246 /nfs/dbraw/zinc/54/82/46/1066548246.db2.gz WYHHYNJQPFCCGP-QFIPXVFZSA-N 0 0 459.472 4.966 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC001445286696 1066553817 /nfs/dbraw/zinc/55/38/17/1066553817.db2.gz PQCZNHZNNCFKOM-QGZVFWFLSA-N 0 0 450.491 4.665 20 30 JJEDRN C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)C(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H]1C ZINC001445294493 1066555470 /nfs/dbraw/zinc/55/54/70/1066555470.db2.gz QULDCGPXVONFLD-SEPYTNNBSA-N 0 0 455.961 4.934 20 30 JJEDRN C[C@H](CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC001445326347 1066557239 /nfs/dbraw/zinc/55/72/39/1066557239.db2.gz QPBVOGRAPYBXNM-QGZVFWFLSA-N 0 0 452.517 4.966 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)ccc1OC ZINC001456304627 1066559453 /nfs/dbraw/zinc/55/94/53/1066559453.db2.gz NRFJYBXASOOURJ-FQEVSTJZSA-N 0 0 452.551 4.522 20 30 JJEDRN COc1ccccc1Oc1ccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 ZINC001456432674 1066583879 /nfs/dbraw/zinc/58/38/79/1066583879.db2.gz RBLFTHCCPSEMTA-FQEVSTJZSA-N 0 0 453.539 4.691 20 30 JJEDRN C#CCN(C(=O)c1cc(-c2ccc(F)cc2)on1)[C@H]1CCOc2ccc(Br)cc21 ZINC001456450995 1066590039 /nfs/dbraw/zinc/59/00/39/1066590039.db2.gz RYIAQOSQFDYFGW-IBGZPJMESA-N 0 0 455.283 4.842 20 30 JJEDRN C#CCN(C(=O)c1ccc(NC(=O)OCC)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001456452315 1066590938 /nfs/dbraw/zinc/59/09/38/1066590938.db2.gz YASAPRBFZUPPBC-IBGZPJMESA-N 0 0 457.324 4.617 20 30 JJEDRN N#Cc1cccc(OCCCCC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC001456464290 1066592387 /nfs/dbraw/zinc/59/23/87/1066592387.db2.gz RBTPNLUJKSXIIU-UHFFFAOYSA-N 0 0 457.933 4.777 20 30 JJEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC001445635048 1066596249 /nfs/dbraw/zinc/59/62/49/1066596249.db2.gz YIWGWYRXJUEMGV-FPOVZHCZSA-N 0 0 452.894 4.562 20 30 JJEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC001445635045 1066596356 /nfs/dbraw/zinc/59/63/56/1066596356.db2.gz YIWGWYRXJUEMGV-CTNGQTDRSA-N 0 0 452.894 4.562 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)o1 ZINC001361251216 1066598265 /nfs/dbraw/zinc/59/82/65/1066598265.db2.gz JNGDDGCZEPSPTF-UHFFFAOYSA-N 0 0 476.581 4.754 20 30 JJEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001456502803 1066603705 /nfs/dbraw/zinc/60/37/05/1066603705.db2.gz BQKIWVFFDALSMS-UHFFFAOYSA-N 0 0 456.340 4.714 20 30 JJEDRN CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c2ccc(Cl)cc2)c1 ZINC001361258204 1066607573 /nfs/dbraw/zinc/60/75/73/1066607573.db2.gz UHOZLNJHRJMOAV-VXNXHJTFSA-N 0 0 464.974 4.624 20 30 JJEDRN CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC001456513245 1066608496 /nfs/dbraw/zinc/60/84/96/1066608496.db2.gz AYWIATFRUKACQT-UHFFFAOYSA-N 0 0 459.590 4.940 20 30 JJEDRN COc1ccccc1[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1noc(C)n1 ZINC001456519394 1066610425 /nfs/dbraw/zinc/61/04/25/1066610425.db2.gz PZBHTMHBIYEUBC-DEOSSOPVSA-N 0 0 454.486 4.764 20 30 JJEDRN Cc1ccc(Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(CCC#N)CCC(C)C)s1 ZINC001361267853 1066620693 /nfs/dbraw/zinc/62/06/93/1066620693.db2.gz DOILYNKFTXCHPN-UHFFFAOYSA-N 0 0 499.710 4.731 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(OC)[C@H](C)CC)ccc1Cl ZINC001445858731 1066627136 /nfs/dbraw/zinc/62/71/36/1066627136.db2.gz PSCBSITYGJPXQU-OAHLLOKOSA-N 0 0 454.951 4.663 20 30 JJEDRN N#Cc1cc(NC(=O)C[C@H]2CCCS(=O)(=O)C2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001361276145 1066633502 /nfs/dbraw/zinc/63/35/02/1066633502.db2.gz VSWHJFVIAFRDGM-CQSZACIVSA-N 0 0 452.454 4.523 20 30 JJEDRN COc1ccc([C@H]2[C@H](C(=O)NCc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001456684989 1066665932 /nfs/dbraw/zinc/66/59/32/1066665932.db2.gz JEVDGZMEWYKYBY-VPUSJEBWSA-N 0 0 453.542 4.676 20 30 JJEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Nc2ccccc2C(C)(C)C)cc1 ZINC001446144154 1066665977 /nfs/dbraw/zinc/66/59/77/1066665977.db2.gz WNJBYCQALWBREX-LJQANCHMSA-N 0 0 454.578 4.740 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc4cccc(Br)c4n3)n[nH]2)c1C ZINC001446154215 1066667466 /nfs/dbraw/zinc/66/74/66/1066667466.db2.gz CVZLEUXNPAEBKR-UHFFFAOYSA-N 0 0 451.328 4.639 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)c2)nc1 ZINC001456774243 1066687981 /nfs/dbraw/zinc/68/79/81/1066687981.db2.gz PKZXLEKTWZAUGO-UHFFFAOYSA-N 0 0 455.499 4.636 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001456780256 1066688465 /nfs/dbraw/zinc/68/84/65/1066688465.db2.gz FPPWQAUMWWNXPS-GOSISDBHSA-N 0 0 452.860 4.801 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001456780266 1066688532 /nfs/dbraw/zinc/68/85/32/1066688532.db2.gz FPPWQAUMWWNXPS-SFHVURJKSA-N 0 0 452.860 4.801 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C ZINC001456779124 1066688574 /nfs/dbraw/zinc/68/85/74/1066688574.db2.gz DFXDPXDQTXXEJK-FQEVSTJZSA-N 0 0 451.571 4.727 20 30 JJEDRN CCOc1ccc(CCNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 ZINC001456783285 1066689398 /nfs/dbraw/zinc/68/93/98/1066689398.db2.gz IMDOVBSGVVENHJ-UHFFFAOYSA-N 0 0 459.571 4.660 20 30 JJEDRN C#CC[C@H](NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 ZINC001446333727 1066692918 /nfs/dbraw/zinc/69/29/18/1066692918.db2.gz IBZTZTPPUPSMGO-SFHVURJKSA-N 0 0 451.617 4.780 20 30 JJEDRN Cc1cnn(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@H](C)CC#N)c1 ZINC001492624324 1066696312 /nfs/dbraw/zinc/69/63/12/1066696312.db2.gz SGBKAUAPTOMQKL-MOPGFXCFSA-N 0 0 455.994 4.632 20 30 JJEDRN Cc1cn2c(n1)[C@@H](Cn1c(Cc3ccc(F)cc3)nnc1N(CCC#N)CCC(C)C)CCC2 ZINC001492628315 1066699341 /nfs/dbraw/zinc/69/93/41/1066699341.db2.gz CXVNEAHBKYQXAR-JOCHJYFZSA-N 0 0 463.605 4.857 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H](C)C#N)s1 ZINC001492629989 1066702989 /nfs/dbraw/zinc/70/29/89/1066702989.db2.gz LJVXCLMPYFDJCJ-KBPBESRZSA-N 0 0 459.417 4.872 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(C)OC(C)(C)C2)s1 ZINC001492630201 1066703399 /nfs/dbraw/zinc/70/33/99/1066703399.db2.gz PSDTTXGDTGPFSY-INIZCTEOSA-N 0 0 450.612 4.779 20 30 JJEDRN CSc1nc(C2CC2)cc(C(=O)NCc2cc3cccnc3cc2Br)c1C#N ZINC001446432979 1066705058 /nfs/dbraw/zinc/70/50/58/1066705058.db2.gz NICLLQGPHQAAOX-UHFFFAOYSA-N 0 0 453.365 4.793 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC001492631263 1066707331 /nfs/dbraw/zinc/70/73/31/1066707331.db2.gz IGKDHQLVZCCYLY-GOSISDBHSA-N 0 0 464.639 4.965 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(C#N)c2)s1 ZINC001492632445 1066710980 /nfs/dbraw/zinc/71/09/80/1066710980.db2.gz FHFMIISIBXRGIB-OAHLLOKOSA-N 0 0 463.636 4.711 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C)cc1C#N ZINC001446536014 1066717791 /nfs/dbraw/zinc/71/77/91/1066717791.db2.gz LRKHBJZECCGRSP-HXUWFJFHSA-N 0 0 452.511 4.640 20 30 JJEDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001456905706 1066717794 /nfs/dbraw/zinc/71/77/94/1066717794.db2.gz CMVIFBVDKVRPJX-UWJYYQICSA-N 0 0 450.539 4.653 20 30 JJEDRN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001446571466 1066722398 /nfs/dbraw/zinc/72/23/98/1066722398.db2.gz XHPQCUMPBXLDOD-DIFFPNOSSA-N 0 0 453.354 4.871 20 30 JJEDRN C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)NCC)ccc1C)c1ccc(C(F)(F)F)cc1 ZINC001446573526 1066722773 /nfs/dbraw/zinc/72/27/73/1066722773.db2.gz XIFJZGBJLNJPPG-FQEVSTJZSA-N 0 0 454.514 4.749 20 30 JJEDRN N#Cc1ccc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1C(F)(F)F ZINC001456943570 1066727639 /nfs/dbraw/zinc/72/76/39/1066727639.db2.gz HCJGXPPMZVCXRM-UHFFFAOYSA-N 0 0 454.433 4.654 20 30 JJEDRN CN(C)C(=O)CCCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001446652942 1066729353 /nfs/dbraw/zinc/72/93/53/1066729353.db2.gz YOYUVRBOUPVKJQ-CQSZACIVSA-N 0 0 452.317 4.702 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)n1 ZINC001492640632 1066732227 /nfs/dbraw/zinc/73/22/27/1066732227.db2.gz ZVQIYEITIIJFCD-SFHVURJKSA-N 0 0 463.655 4.634 20 30 JJEDRN Cc1csc([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(F)F)C2)n1 ZINC001492641016 1066733332 /nfs/dbraw/zinc/73/33/32/1066733332.db2.gz AWKDMMASSYUKQM-GOSISDBHSA-N 0 0 458.538 4.595 20 30 JJEDRN Cc1csc(CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCC2CCOCC2)n1 ZINC001492643657 1066737528 /nfs/dbraw/zinc/73/75/28/1066737528.db2.gz AAAZIFXFLFEVLZ-UHFFFAOYSA-N 0 0 464.639 4.858 20 30 JJEDRN Cc1csc(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)n1 ZINC001492643714 1066740268 /nfs/dbraw/zinc/74/02/68/1066740268.db2.gz PVTNVTDGCXCYIH-RTBURBONSA-N 0 0 482.679 4.847 20 30 JJEDRN Cc1csc(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)[C@@H]2C)n1 ZINC001492644599 1066742663 /nfs/dbraw/zinc/74/26/63/1066742663.db2.gz TXDQHNZNAMVIHL-ROUUACIJSA-N 0 0 452.653 4.935 20 30 JJEDRN Cc1csc(CCCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@@](F)(C#N)C2)n1 ZINC001492644622 1066742694 /nfs/dbraw/zinc/74/26/94/1066742694.db2.gz URONCQWFRUNHTG-LJQANCHMSA-N 0 0 495.447 4.999 20 30 JJEDRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC001457018321 1066744332 /nfs/dbraw/zinc/74/43/32/1066744332.db2.gz HIMSZGMJDDLWOZ-QFBILLFUSA-N 0 0 452.530 4.748 20 30 JJEDRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC001457018324 1066744471 /nfs/dbraw/zinc/74/44/71/1066744471.db2.gz HIMSZGMJDDLWOZ-VQIMIIECSA-N 0 0 452.530 4.748 20 30 JJEDRN N#Cc1ccccc1OCc1cccc(C(=O)NCCNc2cccc(Br)c2)c1 ZINC001446838604 1066746665 /nfs/dbraw/zinc/74/66/65/1066746665.db2.gz URJCZUDFNBSCJE-UHFFFAOYSA-N 0 0 450.336 4.742 20 30 JJEDRN N#Cc1cc(NC(=O)[C@H]2CC(c3cccnc3)=NO2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001457027477 1066748008 /nfs/dbraw/zinc/74/80/08/1066748008.db2.gz NPKYGIKCULANGZ-OAQYLSRUSA-N 0 0 452.392 4.896 20 30 JJEDRN N#Cc1ccc(Cn2cnc(NC(=O)c3cnc(-c4ccc(C(F)(F)F)cc4)s3)n2)cc1 ZINC001457030528 1066748595 /nfs/dbraw/zinc/74/85/95/1066748595.db2.gz QCZUKCAMXJVKEB-UHFFFAOYSA-N 0 0 454.437 4.593 20 30 JJEDRN Cc1c2cc(Br)ccc2sc1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC001457032405 1066749052 /nfs/dbraw/zinc/74/90/52/1066749052.db2.gz UWGSICIQUSBNNN-UHFFFAOYSA-N 0 0 452.337 4.736 20 30 JJEDRN CSc1nc(C2CC2)cc(C(=O)N=[S@](C)(=O)c2cccc(Br)c2)c1C#N ZINC001457102326 1066762441 /nfs/dbraw/zinc/76/24/41/1066762441.db2.gz OJIGJSFEAMMMHK-AREMUKBSSA-N 0 0 450.383 4.612 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)CC2)c(F)c1 ZINC001457111148 1066764311 /nfs/dbraw/zinc/76/43/11/1066764311.db2.gz HCLRNAWBSGFTMJ-UHFFFAOYSA-N 0 0 455.946 4.648 20 30 JJEDRN Cc1cscc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001492655911 1066767766 /nfs/dbraw/zinc/76/77/66/1066767766.db2.gz QBPJMOUICMFJEV-INIZCTEOSA-N 0 0 464.620 4.843 20 30 JJEDRN C[C@@H](C#N)CN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)C1CC1 ZINC001447070224 1066770845 /nfs/dbraw/zinc/77/08/45/1066770845.db2.gz MIVLDDPSRNLETL-IBGZPJMESA-N 0 0 459.571 4.919 20 30 JJEDRN CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1)c1ccccc1 ZINC001545993297 1066780377 /nfs/dbraw/zinc/78/03/77/1066780377.db2.gz UWNWSRATQMRHAV-GGAORHGYSA-N 0 0 494.640 4.520 20 30 JJEDRN CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 ZINC001545993387 1066781363 /nfs/dbraw/zinc/78/13/63/1066781363.db2.gz WHHPRKDYBSAKFH-VWPQPMDRSA-N 0 0 482.629 4.519 20 30 JJEDRN C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457212116 1066791728 /nfs/dbraw/zinc/79/17/28/1066791728.db2.gz ZYJJXVDWNFCLKY-DYESRHJHSA-N 0 0 450.539 4.511 20 30 JJEDRN O=C(Nc1ccn(CC(F)F)n1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001457341674 1066813094 /nfs/dbraw/zinc/81/30/94/1066813094.db2.gz CXTGIYCAIMISIL-UHFFFAOYSA-N 0 0 453.293 4.624 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492676408 1066813263 /nfs/dbraw/zinc/81/32/63/1066813263.db2.gz DXRINFDMQUCFEB-QFIPXVFZSA-N 0 0 476.528 4.553 20 30 JJEDRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001447490053 1066814653 /nfs/dbraw/zinc/81/46/53/1066814653.db2.gz XHIKYDDEOKJJSV-FUHWJXTLSA-N 0 0 456.612 4.520 20 30 JJEDRN Cc1nc(CCn2c(-c3ccc(Br)s3)nnc2N2CCC[C@](C)(C#N)C2)cs1 ZINC001492687727 1066833884 /nfs/dbraw/zinc/83/38/84/1066833884.db2.gz OCLDJKMMSHXDKG-LJQANCHMSA-N 0 0 477.457 4.907 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@@H]2C)s1 ZINC001492695508 1066842222 /nfs/dbraw/zinc/84/22/22/1066842222.db2.gz DNYRBTPCFLRGGB-JTSKRJEESA-N 0 0 450.612 4.813 20 30 JJEDRN N[C@@](C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)(c1cccc(F)c1)C(F)(F)F ZINC001457505947 1066845947 /nfs/dbraw/zinc/84/59/47/1066845947.db2.gz ZXLIWNHAEJPXRY-CQSZACIVSA-N 0 0 459.159 4.962 20 30 JJEDRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001457506496 1066845992 /nfs/dbraw/zinc/84/59/92/1066845992.db2.gz UOSPFYNBVAEANJ-AWEZNQCLSA-N 0 0 452.270 4.845 20 30 JJEDRN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c3ccccc3n2)cc1 ZINC001457529550 1066852796 /nfs/dbraw/zinc/85/27/96/1066852796.db2.gz DKBPNBWOGCQVNC-HXUWFJFHSA-N 0 0 456.546 4.795 20 30 JJEDRN CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC001447788991 1066857259 /nfs/dbraw/zinc/85/72/59/1066857259.db2.gz BZIYMMYZFIAEQY-XLIONFOSSA-N 0 0 456.587 4.538 20 30 JJEDRN Cc1nccn1CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1 ZINC001492706015 1066867022 /nfs/dbraw/zinc/86/70/22/1066867022.db2.gz ZMPZVIZJNBXNJO-UHFFFAOYSA-N 0 0 486.393 4.572 20 30 JJEDRN Cc1nccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001492706479 1066868433 /nfs/dbraw/zinc/86/84/33/1066868433.db2.gz OECXGZUZBQOHOX-HXUWFJFHSA-N 0 0 461.614 4.587 20 30 JJEDRN Cc1nccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492706478 1066868449 /nfs/dbraw/zinc/86/84/49/1066868449.db2.gz OECXGZUZBQOHOX-FQEVSTJZSA-N 0 0 461.614 4.587 20 30 JJEDRN Cc1nccn1CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 ZINC001492709830 1066874380 /nfs/dbraw/zinc/87/43/80/1066874380.db2.gz VLTRNODXUIOAKS-UHFFFAOYSA-N 0 0 456.019 4.559 20 30 JJEDRN CCCc1c(NC(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC001447959482 1066882856 /nfs/dbraw/zinc/88/28/56/1066882856.db2.gz KMKZNZQQZANWDX-SFHVURJKSA-N 0 0 451.571 4.672 20 30 JJEDRN Cc1coc(-c2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)ccc2C)n1 ZINC001457623061 1066883852 /nfs/dbraw/zinc/88/38/52/1066883852.db2.gz AAVSZUSKPGCYMH-UHFFFAOYSA-N 0 0 456.462 4.896 20 30 JJEDRN COc1ccc2[nH]c([C@H](C)NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)nc2c1 ZINC001448123668 1066901905 /nfs/dbraw/zinc/90/19/05/1066901905.db2.gz PDUJISIEBORUOY-HNNXBMFYSA-N 0 0 451.958 4.580 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)cc1C#N ZINC001457714837 1066902991 /nfs/dbraw/zinc/90/29/91/1066902991.db2.gz JULUNWKISCUDJS-ZDUSSCGKSA-N 0 0 458.312 4.737 20 30 JJEDRN C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CSC1(C)C ZINC001448200256 1066909415 /nfs/dbraw/zinc/90/94/15/1066909415.db2.gz NLTWPAVVNNMDRA-XZOQPEGZSA-N 0 0 450.604 4.870 20 30 JJEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 ZINC001457769402 1066915289 /nfs/dbraw/zinc/91/52/89/1066915289.db2.gz LDCOTQYBHHSTRQ-UHFFFAOYSA-N 0 0 450.520 4.613 20 30 JJEDRN C[C@@](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)(C(N)=O)c1cccc(Cl)c1 ZINC001457798832 1066923034 /nfs/dbraw/zinc/92/30/34/1066923034.db2.gz FRJBLCIFSKWMIC-QHCPKHFHSA-N 0 0 454.313 4.788 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](Cc4ccc(C#N)cc4)C3)n2CCC(C)(F)F)n1 ZINC001492748549 1066923129 /nfs/dbraw/zinc/92/31/29/1066923129.db2.gz HZDWLGYNRCQJIJ-JOCHJYFZSA-N 0 0 467.568 4.516 20 30 JJEDRN CC[C@H](Cc1ccccc1Br)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC001457805055 1066924430 /nfs/dbraw/zinc/92/44/30/1066924430.db2.gz RGKYEZJKLWJBDS-LJQANCHMSA-N 0 0 451.368 4.977 20 30 JJEDRN CCN(CC)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NCC#CCO)cc1 ZINC001448439083 1066927552 /nfs/dbraw/zinc/92/75/52/1066927552.db2.gz PMJTTZJEKPMZTF-LSDHQDQOSA-N 0 0 453.586 4.683 20 30 JJEDRN C#CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC001457874789 1066934521 /nfs/dbraw/zinc/93/45/21/1066934521.db2.gz DHSBZCPTKGHPEN-HNNXBMFYSA-N 0 0 451.375 4.670 20 30 JJEDRN Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)n1 ZINC001492762434 1066935494 /nfs/dbraw/zinc/93/54/94/1066935494.db2.gz RJTNVOSGBDBHSV-CVDCTZTESA-N 0 0 461.614 4.647 20 30 JJEDRN Cc1nnc(CCCn2c(-c3ccc(Br)cc3)nnc2N(CCC#N)CC2CC2)s1 ZINC001492765383 1066936622 /nfs/dbraw/zinc/93/66/22/1066936622.db2.gz FNLKYGIUGRVUHL-UHFFFAOYSA-N 0 0 486.443 4.630 20 30 JJEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001448536295 1066936707 /nfs/dbraw/zinc/93/67/07/1066936707.db2.gz DCRQPUWCRQEVDG-FQEVSTJZSA-N 0 0 458.331 4.932 20 30 JJEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001448536299 1066936891 /nfs/dbraw/zinc/93/68/91/1066936891.db2.gz DCRQPUWCRQEVDG-HXUWFJFHSA-N 0 0 458.331 4.932 20 30 JJEDRN Cc1nnc(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2cccs2)s1 ZINC001492767241 1066940237 /nfs/dbraw/zinc/94/02/37/1066940237.db2.gz KXKPLUJEFQQHAY-MRXNPFEDSA-N 0 0 479.635 4.780 20 30 JJEDRN Cc1nc(NC(=O)CCCC(=O)Nc2ccccc2C#N)sc1Cc1ccc(F)cc1F ZINC001448605409 1066941331 /nfs/dbraw/zinc/94/13/31/1066941331.db2.gz HSKGAYOQCMQWIB-UHFFFAOYSA-N 0 0 454.502 4.940 20 30 JJEDRN Cc1nnc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)s1 ZINC001492773996 1066945677 /nfs/dbraw/zinc/94/56/77/1066945677.db2.gz YIPXENISONDLBC-HXUWFJFHSA-N 0 0 460.032 4.562 20 30 JJEDRN C[C@H]1CCC[C@@](C#N)(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)C1 ZINC001457996464 1066954652 /nfs/dbraw/zinc/95/46/52/1066954652.db2.gz OOMPOBGQHSASBG-OYHNWAKOSA-N 0 0 455.971 4.861 20 30 JJEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CN(Cc2ccccc2)c2ccccc2)CC1 ZINC001448821572 1066960025 /nfs/dbraw/zinc/96/00/25/1066960025.db2.gz BKFQEURINIJQHB-SANMLTNESA-N 0 0 458.993 4.756 20 30 JJEDRN Cc1c(Br)ccc(F)c1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448827257 1066960249 /nfs/dbraw/zinc/96/02/49/1066960249.db2.gz JKEBORDPFKVXRZ-GOSISDBHSA-N 0 0 450.739 4.573 20 30 JJEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC001448831340 1066960737 /nfs/dbraw/zinc/96/07/37/1066960737.db2.gz OKIRMGMXTQBGCW-IBGZPJMESA-N 0 0 457.759 4.606 20 30 JJEDRN CC[C@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001545698725 1066963870 /nfs/dbraw/zinc/96/38/70/1066963870.db2.gz LVZNZXPYNALNLM-REWPJTCUSA-N 0 0 462.642 4.571 20 30 JJEDRN C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)n1 ZINC001448855718 1066964842 /nfs/dbraw/zinc/96/48/42/1066964842.db2.gz HMWHZABADHVTOD-UHFFFAOYSA-N 0 0 456.468 4.568 20 30 JJEDRN C=CCNS(=O)(=O)c1cc(C(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)ccc1F ZINC001458074837 1066967965 /nfs/dbraw/zinc/96/79/65/1066967965.db2.gz XGBDXJUDNGWQNG-UHFFFAOYSA-N 0 0 458.599 4.787 20 30 JJEDRN CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001546010421 1066968823 /nfs/dbraw/zinc/96/88/23/1066968823.db2.gz LQONAHPFPOSHQF-IBGZPJMESA-N 0 0 470.618 4.514 20 30 JJEDRN O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001448941576 1066972178 /nfs/dbraw/zinc/97/21/78/1066972178.db2.gz ULTOCUQPDMGQFB-OWTLUSIOSA-N 0 0 455.301 4.903 20 30 JJEDRN CC(C)Oc1ccc(Br)cc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC001458101392 1066975307 /nfs/dbraw/zinc/97/53/07/1066975307.db2.gz CWUUQNHMQWOBPT-UHFFFAOYSA-N 0 0 458.356 4.902 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)CCC2CC2)ccc1Cl ZINC001458108681 1066978039 /nfs/dbraw/zinc/97/80/39/1066978039.db2.gz YAKFKYIZCOGKIN-UHFFFAOYSA-N 0 0 450.963 4.733 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)s1 ZINC001449074627 1066981180 /nfs/dbraw/zinc/98/11/80/1066981180.db2.gz MQRYJPPNNPGHLF-JKSUJKDBSA-N 0 0 455.070 4.866 20 30 JJEDRN C=C[C@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001545727150 1066984338 /nfs/dbraw/zinc/98/43/38/1066984338.db2.gz GNIMXTCOHVGYJZ-FYSMJZIKSA-N 0 0 458.480 4.881 20 30 JJEDRN N#Cc1cccnc1NCCNc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC001458130881 1066984370 /nfs/dbraw/zinc/98/43/70/1066984370.db2.gz SNVATFYPNCLDHQ-UHFFFAOYSA-N 0 0 451.353 4.911 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)c2ccc(OC(F)F)c(Br)c2)cc1C#N ZINC001458156840 1066991837 /nfs/dbraw/zinc/99/18/37/1066991837.db2.gz ZJEPTEMXVUWFFV-UHFFFAOYSA-N 0 0 454.227 4.743 20 30 JJEDRN CC[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C)(C#N)CC1)NC(=O)OC(C)(C)C ZINC001546012486 1066993860 /nfs/dbraw/zinc/99/38/60/1066993860.db2.gz JIGUAIXWJYNQOH-HXUWFJFHSA-N 0 0 482.629 4.599 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(CC)c(Cl)c2)CC1 ZINC001449359564 1067003756 /nfs/dbraw/zinc/00/37/56/1067003756.db2.gz AQNBGEUVTUDYOQ-OAQYLSRUSA-N 0 0 450.023 4.801 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545740980 1067006857 /nfs/dbraw/zinc/00/68/57/1067006857.db2.gz HKHGMQMOPASMJW-ZVUIFXONSA-N 0 0 496.631 4.909 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545741106 1067007184 /nfs/dbraw/zinc/00/71/84/1067007184.db2.gz JXKKUPNCERFEAV-ZJSXRUAMSA-N 0 0 492.565 4.926 20 30 JJEDRN CS(=O)(=O)c1cccc([C@H](Nc2nccc(Oc3cccc(C#N)c3)n2)c2ccccc2)c1 ZINC001458225836 1067007132 /nfs/dbraw/zinc/00/71/32/1067007132.db2.gz LHXZCILSPFYPQB-XMMPIXPASA-N 0 0 456.527 4.746 20 30 JJEDRN CC[C@H](c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545741450 1067007756 /nfs/dbraw/zinc/00/77/56/1067007756.db2.gz QNZFKDPZOFIKAP-KKSFZXQISA-N 0 0 478.519 4.980 20 30 JJEDRN C[C@@H](C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001449575588 1067015500 /nfs/dbraw/zinc/01/55/00/1067015500.db2.gz TYBXCPJMFYKIGR-UZLBHIALSA-N 0 0 455.580 4.512 20 30 JJEDRN C[C@@H](C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001449575584 1067015605 /nfs/dbraw/zinc/01/56/05/1067015605.db2.gz TYBXCPJMFYKIGR-OXQOHEQNSA-N 0 0 455.580 4.512 20 30 JJEDRN C=CCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl ZINC001458272720 1067018310 /nfs/dbraw/zinc/01/83/10/1067018310.db2.gz LKTNSBCOESXJSW-MRXNPFEDSA-N 0 0 450.988 4.648 20 30 JJEDRN CC(C)(C)OC(=O)N1Cc2sc(C(=O)N[C@](C)(C#N)C(C)(C)C)c(Br)c2C1 ZINC001458281222 1067020314 /nfs/dbraw/zinc/02/03/14/1067020314.db2.gz ZTMPVMVSCSDNPE-LJQANCHMSA-N 0 0 456.406 4.819 20 30 JJEDRN C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC001449700233 1067021719 /nfs/dbraw/zinc/02/17/19/1067021719.db2.gz UQWPKGQVXQGZGG-MOPGFXCFSA-N 0 0 455.583 4.947 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001449713821 1067023022 /nfs/dbraw/zinc/02/30/22/1067023022.db2.gz VCHJZYRRMXPDIT-RBUKOAKNSA-N 0 0 450.501 4.553 20 30 JJEDRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001458313939 1067027303 /nfs/dbraw/zinc/02/73/03/1067027303.db2.gz FVKBTWHSDNBMNX-GOEBONIOSA-N 0 0 452.301 4.896 20 30 JJEDRN C#C[C@@](C)(CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC001449785651 1067027916 /nfs/dbraw/zinc/02/79/16/1067027916.db2.gz IQYFWINLOIESRO-IBGZPJMESA-N 0 0 459.782 4.979 20 30 JJEDRN CC[C@@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC001546017386 1067030123 /nfs/dbraw/zinc/03/01/23/1067030123.db2.gz TYLPHNCGPOWXFZ-HKUYNNGSSA-N 0 0 498.538 4.640 20 30 JJEDRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC001449848759 1067031871 /nfs/dbraw/zinc/03/18/71/1067031871.db2.gz ATLBAZZZLUYLIL-UHFFFAOYSA-N 0 0 459.329 4.533 20 30 JJEDRN COc1cc(/C=C/C(=O)Nc2nc3c(cc2C#N)CCCC3)ccc1OCc1c(C)noc1C ZINC001458331595 1067032987 /nfs/dbraw/zinc/03/29/87/1067032987.db2.gz AKODAIRBIHETCF-PKNBQFBNSA-N 0 0 458.518 4.676 20 30 JJEDRN CN(Cc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)C(=O)OC(C)(C)C ZINC001449902838 1067035610 /nfs/dbraw/zinc/03/56/10/1067035610.db2.gz RQLIMIBRFDVZOJ-LJQANCHMSA-N 0 0 452.530 4.529 20 30 JJEDRN C=CC[C@]1(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C ZINC001458342053 1067035751 /nfs/dbraw/zinc/03/57/51/1067035751.db2.gz QDCYXAPMNDAUGH-WAIKUNEKSA-N 0 0 451.970 4.520 20 30 JJEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C)n(-c4ccc(Cl)cc4Cl)n3)cc2C1=O ZINC001458348459 1067038181 /nfs/dbraw/zinc/03/81/81/1067038181.db2.gz RCGDQVGRPQTSMA-UHFFFAOYSA-N 0 0 455.301 4.522 20 30 JJEDRN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1=O ZINC001450077077 1067048187 /nfs/dbraw/zinc/04/81/87/1067048187.db2.gz GGVKPHWDYQKCDI-CJAUYULYSA-N 0 0 456.521 4.923 20 30 JJEDRN Cc1cc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)nn1-c1cccc(C#N)c1 ZINC001458402161 1067053386 /nfs/dbraw/zinc/05/33/86/1067053386.db2.gz BFWVQJGJKXPQEY-SFHVURJKSA-N 0 0 450.367 4.687 20 30 JJEDRN CCC(CC)(Cn1c(C(C)C)nnc1N(C)Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC001545769821 1067055795 /nfs/dbraw/zinc/05/57/95/1067055795.db2.gz LUMYUJHOWMYUPW-UHFFFAOYSA-N 0 0 454.619 4.993 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545772678 1067061579 /nfs/dbraw/zinc/06/15/79/1067061579.db2.gz IGSYYXFQVNCSAR-IBGZPJMESA-N 0 0 496.656 4.904 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1)SC ZINC001545772788 1067061849 /nfs/dbraw/zinc/06/18/49/1067061849.db2.gz MEKSULTVRWVXAT-NRFANRHFSA-N 0 0 483.682 4.760 20 30 JJEDRN CC(C)(C)c1cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C#N)s1 ZINC001458452968 1067066677 /nfs/dbraw/zinc/06/66/77/1067066677.db2.gz KNVMADBDZFICPK-UHFFFAOYSA-N 0 0 459.637 4.663 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)SC ZINC001545775731 1067069653 /nfs/dbraw/zinc/06/96/53/1067069653.db2.gz JCENKBKUEHKKJD-XHNVNVPESA-N 0 0 469.655 4.511 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2CCOC2)CC1)SC ZINC001545775821 1067070127 /nfs/dbraw/zinc/07/01/27/1067070127.db2.gz LJKAVHDBFXGHCY-QFIPXVFZSA-N 0 0 453.656 4.991 20 30 JJEDRN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001450323477 1067071049 /nfs/dbraw/zinc/07/10/49/1067071049.db2.gz FFJTZJWHSPYSII-INIZCTEOSA-N 0 0 453.379 4.709 20 30 JJEDRN N#Cc1ccc(C2=CCN(C(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)CC2)cc1 ZINC001458476926 1067072080 /nfs/dbraw/zinc/07/20/80/1067072080.db2.gz JJQAZJNBRGYBAU-HSZRJFAPSA-N 0 0 450.380 4.774 20 30 JJEDRN CCn1c(NC(=O)CCc2nc3cc(Br)ccc3s2)nc2cc(C#N)ccc21 ZINC001458500822 1067076258 /nfs/dbraw/zinc/07/62/58/1067076258.db2.gz OOPMNHZQWLTRAZ-UHFFFAOYSA-N 0 0 454.353 4.871 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC001545783532 1067078598 /nfs/dbraw/zinc/07/85/98/1067078598.db2.gz VCSHRGBJHCPXRG-AWEZNQCLSA-N 0 0 451.297 4.518 20 30 JJEDRN Cc1c(C(=O)N[C@]2(C#N)CC2(C)C)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001450540632 1067087828 /nfs/dbraw/zinc/08/78/28/1067087828.db2.gz LFJKGDFAGMHGDE-QHCPKHFHSA-N 0 0 452.605 4.624 20 30 JJEDRN CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C)CC1)NC(=O)OC(C)(C)C ZINC001545792488 1067090151 /nfs/dbraw/zinc/09/01/51/1067090151.db2.gz BPSZTEYZWMIHDL-UHFFFAOYSA-N 0 0 494.640 4.969 20 30 JJEDRN CCC(CC)(Cn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545792514 1067090165 /nfs/dbraw/zinc/09/01/65/1067090165.db2.gz CDUSHMIIFCCBLE-HXUWFJFHSA-N 0 0 493.656 4.960 20 30 JJEDRN CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC1)NC(=O)OC(C)(C)C ZINC001545792991 1067091572 /nfs/dbraw/zinc/09/15/72/1067091572.db2.gz SPRQAKLBSYMACZ-UHFFFAOYSA-N 0 0 482.629 4.801 20 30 JJEDRN CCc1c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC001458616293 1067096344 /nfs/dbraw/zinc/09/63/44/1067096344.db2.gz BKARQZDGEDCFFZ-LJQANCHMSA-N 0 0 457.456 4.630 20 30 JJEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 ZINC001458617726 1067096520 /nfs/dbraw/zinc/09/65/20/1067096520.db2.gz CNADYBZKAYEQMX-WOJBJXKFSA-N 0 0 455.505 4.571 20 30 JJEDRN N#C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)c1ccc(Cl)c(Cl)c1 ZINC001458624796 1067097914 /nfs/dbraw/zinc/09/79/14/1067097914.db2.gz MXZZJVDYFXTPJB-INIZCTEOSA-N 0 0 450.123 4.936 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)NCC3(c4ccc(Cl)cc4Cl)CCCC3)CC2=O)cc1 ZINC001458629844 1067098865 /nfs/dbraw/zinc/09/88/65/1067098865.db2.gz ZAZRVRODDFSEDX-KRWDZBQOSA-N 0 0 456.373 4.846 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(C1)CCOCC2)OC ZINC001545798273 1067099171 /nfs/dbraw/zinc/09/91/71/1067099171.db2.gz IFMDXKBOAVXGCD-HSZRJFAPSA-N 0 0 451.615 4.665 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C)OC ZINC001545798565 1067101344 /nfs/dbraw/zinc/10/13/44/1067101344.db2.gz NFWARMDKUKQMMQ-UKILVPOCSA-N 0 0 475.641 4.905 20 30 JJEDRN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N ZINC001450683908 1067102662 /nfs/dbraw/zinc/10/26/62/1067102662.db2.gz PBNXYTMHMVQENT-YZGUTLMUSA-N 0 0 455.452 4.878 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C#N)C1)OC ZINC001545798942 1067102928 /nfs/dbraw/zinc/10/29/28/1067102928.db2.gz UDBZTIOMDHYNID-NHCUHLMSSA-N 0 0 471.671 4.846 20 30 JJEDRN N#Cc1ccc(OCC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1Br ZINC001458668579 1067104250 /nfs/dbraw/zinc/10/42/50/1067104250.db2.gz OFDOLFVXFKBKHZ-HNNXBMFYSA-N 0 0 453.258 4.734 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(OCc2ccccc2)c1 ZINC001545799660 1067104989 /nfs/dbraw/zinc/10/49/89/1067104989.db2.gz OFDPOMXUFDAGQE-QFIPXVFZSA-N 0 0 458.986 4.960 20 30 JJEDRN Cc1cc(N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC001458672510 1067105809 /nfs/dbraw/zinc/10/58/09/1067105809.db2.gz MFFDHQRNZZHTTK-UHFFFAOYSA-N 0 0 450.539 4.838 20 30 JJEDRN C=CCn1c(=O)c2c3c(sc2nc1SCCOCC(F)(F)C(F)F)CCCCC3 ZINC001458727093 1067119734 /nfs/dbraw/zinc/11/97/34/1067119734.db2.gz KHVQJJQFBXTQAQ-UHFFFAOYSA-N 0 0 450.523 4.922 20 30 JJEDRN C=C[C@H](Sc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)C(=O)OC ZINC001458743769 1067129756 /nfs/dbraw/zinc/12/97/56/1067129756.db2.gz BKQJCUXHPMHGMX-SFHVURJKSA-N 0 0 458.381 4.770 20 30 JJEDRN C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)c1ccc(Cl)cc1 ZINC001450853533 1067132422 /nfs/dbraw/zinc/13/24/22/1067132422.db2.gz WHRGAEZEOILJRO-JOCHJYFZSA-N 0 0 452.963 4.862 20 30 JJEDRN C=CCn1c(SCCN2C(=O)CCC2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001458757618 1067132807 /nfs/dbraw/zinc/13/28/07/1067132807.db2.gz XUBDCDYMZWOQKI-INIZCTEOSA-N 0 0 458.653 4.585 20 30 JJEDRN CC(C)(CC#N)CNC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC001451105810 1067146515 /nfs/dbraw/zinc/14/65/15/1067146515.db2.gz KHIIBCNBIUYDGL-UHFFFAOYSA-N 0 0 457.530 4.988 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC001451171460 1067151912 /nfs/dbraw/zinc/15/19/12/1067151912.db2.gz BKYBUAYWYPKWSW-UHFFFAOYSA-N 0 0 451.317 4.884 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)c1cccc(CNc2ccnc(C)n2)c1 ZINC001451187734 1067152827 /nfs/dbraw/zinc/15/28/27/1067152827.db2.gz YQRCBDQMWHKLRX-UHFFFAOYSA-N 0 0 453.340 4.977 20 30 JJEDRN CCC(CC)c1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)on1 ZINC001545821534 1067161676 /nfs/dbraw/zinc/16/16/76/1067161676.db2.gz FYHFOWSUYJCPLC-HRAATJIYSA-N 0 0 484.988 4.740 20 30 JJEDRN COc1ccc(C)cc1-n1c(SCc2c(C#N)cccc2[N+](=O)[O-])nc2ccccc2c1=O ZINC001458833704 1067162514 /nfs/dbraw/zinc/16/25/14/1067162514.db2.gz GAJVEJAHBILJBY-UHFFFAOYSA-N 0 0 458.499 4.775 20 30 JJEDRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)on1 ZINC001545822168 1067162734 /nfs/dbraw/zinc/16/27/34/1067162734.db2.gz VPWMCXNYLIDSMS-UHFFFAOYSA-N 0 0 461.614 4.930 20 30 JJEDRN CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2nccs2)on1 ZINC001545823370 1067166213 /nfs/dbraw/zinc/16/62/13/1067166213.db2.gz KEFWIVBLRVVRPC-UHFFFAOYSA-N 0 0 461.595 4.892 20 30 JJEDRN Cc1cccc(-n2ccnc2SCC(=O)N[C@H](C#N)c2cccc(Br)c2)c1C ZINC001545823826 1067168774 /nfs/dbraw/zinc/16/87/74/1067168774.db2.gz ALSHJXNARUGGKT-GOSISDBHSA-N 0 0 455.381 4.725 20 30 JJEDRN CCC(CC)c1cc(Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C)(C#N)CC2)on1 ZINC001545825940 1067172192 /nfs/dbraw/zinc/17/21/92/1067172192.db2.gz ATWRXAQAHGNQGJ-UHFFFAOYSA-N 0 0 478.597 4.936 20 30 JJEDRN C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(Nc3ccc(C)c(Cl)c3)s2)c1 ZINC001458870037 1067180414 /nfs/dbraw/zinc/18/04/14/1067180414.db2.gz BFAYPRJXQXJWEN-UHFFFAOYSA-N 0 0 457.968 4.665 20 30 JJEDRN COc1ccccc1-n1c(SCCOCCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001458874092 1067181779 /nfs/dbraw/zinc/18/17/79/1067181779.db2.gz YIJVNNPXRLZXPA-OAHLLOKOSA-N 0 0 455.605 4.603 20 30 JJEDRN N#Cc1cc2c(nc1SCc1cc(I)cc([N+](=O)[O-])c1)CCCC2 ZINC001458907664 1067192619 /nfs/dbraw/zinc/19/26/19/1067192619.db2.gz ILKPEGYAWWXSJE-UHFFFAOYSA-N 0 0 451.289 4.637 20 30 JJEDRN C[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001545842906 1067195043 /nfs/dbraw/zinc/19/50/43/1067195043.db2.gz LEWYPTSWRLYPGW-SJORKVTESA-N 0 0 452.517 4.964 20 30 JJEDRN C[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001545842904 1067195126 /nfs/dbraw/zinc/19/51/26/1067195126.db2.gz LEWYPTSWRLYPGW-IAGOWNOFSA-N 0 0 452.517 4.964 20 30 JJEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3c(=O)onc3-c3ccccc3)sc2C1 ZINC001458919018 1067197212 /nfs/dbraw/zinc/19/72/12/1067197212.db2.gz FLSPSNLROPECTB-MRXNPFEDSA-N 0 0 450.564 4.616 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001451973834 1067201906 /nfs/dbraw/zinc/20/19/06/1067201906.db2.gz OPUQALOJAWLSSM-YJBOKZPZSA-N 0 0 453.505 4.839 20 30 JJEDRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC001452004512 1067202925 /nfs/dbraw/zinc/20/29/25/1067202925.db2.gz SRAXIWJIOPKPRQ-QGZVFWFLSA-N 0 0 451.523 4.640 20 30 JJEDRN CCCc1c(NC(=O)COc2ccc(C#N)c(Br)c2)cnn1-c1ccccc1C ZINC001458953292 1067207495 /nfs/dbraw/zinc/20/74/95/1067207495.db2.gz PVGUHMZWNTZHGV-UHFFFAOYSA-N 0 0 453.340 4.785 20 30 JJEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C(=O)c4ccc(F)cc4C3=O)sc2C1 ZINC001458967508 1067212583 /nfs/dbraw/zinc/21/25/83/1067212583.db2.gz ICVVIGNUHTTZIP-CYBMUJFWSA-N 0 0 453.539 4.535 20 30 JJEDRN CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001546037739 1067219679 /nfs/dbraw/zinc/21/96/79/1067219679.db2.gz OSJFMGSPGFPILA-NRFANRHFSA-N 0 0 451.935 4.556 20 30 JJEDRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3Cc4ccc(C#N)cc4C3)ccc2C)c(C)c1 ZINC001452409573 1067221887 /nfs/dbraw/zinc/22/18/87/1067221887.db2.gz VYPZUUOJKTWENB-UHFFFAOYSA-N 0 0 459.571 4.749 20 30 JJEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001459001700 1067226242 /nfs/dbraw/zinc/22/62/42/1067226242.db2.gz QUGQKEAUSIWQJQ-IBGZPJMESA-N 0 0 456.518 4.527 20 30 JJEDRN O=C(CCNC(=O)c1ccc(F)cc1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459016370 1067229702 /nfs/dbraw/zinc/22/97/02/1067229702.db2.gz WFDVRRUDBKRBOV-MRXNPFEDSA-N 0 0 450.354 4.774 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC001459037456 1067236376 /nfs/dbraw/zinc/23/63/76/1067236376.db2.gz UTBUQQKWVXLUOF-OAHLLOKOSA-N 0 0 455.540 4.867 20 30 JJEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001459080039 1067247389 /nfs/dbraw/zinc/24/73/89/1067247389.db2.gz NSEJFJVDOHEMFI-UHFFFAOYSA-N 0 0 450.951 4.676 20 30 JJEDRN CN(Cc1ccccc1CNC(=O)c1ccc(Br)cc1C#N)C(=O)OC(C)(C)C ZINC001452814719 1067255004 /nfs/dbraw/zinc/25/50/04/1067255004.db2.gz HINDXDKGGOFASV-UHFFFAOYSA-N 0 0 458.356 4.618 20 30 JJEDRN C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCc2ccc(Cl)cc21 ZINC001452825390 1067256238 /nfs/dbraw/zinc/25/62/38/1067256238.db2.gz YNXLLZNYLWXEOZ-FMHCFESSSA-N 0 0 458.002 4.615 20 30 JJEDRN Cc1cc(C#N)c(=O)n(CC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)c1 ZINC001459133010 1067257839 /nfs/dbraw/zinc/25/78/39/1067257839.db2.gz ZZIUZNRDKHHDCN-UHFFFAOYSA-N 0 0 451.530 4.643 20 30 JJEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001459268759 1067280527 /nfs/dbraw/zinc/28/05/27/1067280527.db2.gz DELVBCODIYFXFY-ZDUSSCGKSA-N 0 0 456.915 4.540 20 30 JJEDRN COC(=O)c1cc2ccccc2cc1SCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001459276938 1067281363 /nfs/dbraw/zinc/28/13/63/1067281363.db2.gz ZCNLPNLVXCVRAP-UHFFFAOYSA-N 0 0 457.473 4.905 20 30 JJEDRN CCn1c(SCC(=O)NCCC#C[Si](C)(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC001453130722 1067282620 /nfs/dbraw/zinc/28/26/20/1067282620.db2.gz WNRQEEKCVOXLPO-UHFFFAOYSA-N 0 0 455.487 4.751 20 30 JJEDRN Cn1cc(CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c2ccc(F)cc21 ZINC001459295511 1067284966 /nfs/dbraw/zinc/28/49/66/1067284966.db2.gz AQWZVRGLHNPQFV-UHFFFAOYSA-N 0 0 452.961 4.808 20 30 JJEDRN N#CCSc1ccccc1NC(=O)COc1cc(Br)ccc1Br ZINC001459302355 1067287721 /nfs/dbraw/zinc/28/77/21/1067287721.db2.gz OBXUJJVXOVTZRZ-UHFFFAOYSA-N 0 0 456.159 4.845 20 30 JJEDRN COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001459413766 1067317169 /nfs/dbraw/zinc/31/71/69/1067317169.db2.gz FJJDUQNMXZOWQS-FTJBHMTQSA-N 0 0 459.977 4.833 20 30 JJEDRN CC(=O)N(c1nc(CN2CCC(Oc3cccc(C#N)c3)CC2)cs1)c1ccc(F)cc1 ZINC001459446215 1067325959 /nfs/dbraw/zinc/32/59/59/1067325959.db2.gz DQAGNWOXCBNDMP-UHFFFAOYSA-N 0 0 450.539 4.882 20 30 JJEDRN C#CCN(Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001459505168 1067340057 /nfs/dbraw/zinc/34/00/57/1067340057.db2.gz BOZYGJMQLBXZOD-QGZVFWFLSA-N 0 0 455.274 4.744 20 30 JJEDRN C#CCN(Cc1ccn(-c2ccc(F)cc2F)n1)[C@H]1CCOc2ccc(Br)cc21 ZINC001459514333 1067342419 /nfs/dbraw/zinc/34/24/19/1067342419.db2.gz PODKFHLWGNGZOZ-FQEVSTJZSA-N 0 0 458.306 4.872 20 30 JJEDRN C#CCN(Cc1ccn(CCc2ccccc2)n1)[C@H]1CCOc2ccc(Br)cc21 ZINC001459514808 1067342823 /nfs/dbraw/zinc/34/28/23/1067342823.db2.gz REXJYPZIQNXKMC-QHCPKHFHSA-N 0 0 450.380 4.847 20 30 JJEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCO[C@@H](c4ccc(Cl)s4)C3)sc2C1 ZINC001459587866 1067358038 /nfs/dbraw/zinc/35/80/38/1067358038.db2.gz ZVNWGNHZTBBFCX-XJKSGUPXSA-N 0 0 450.029 4.862 20 30 JJEDRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(CCC#N)Cc1ccco1 ZINC001459604113 1067360900 /nfs/dbraw/zinc/36/09/00/1067360900.db2.gz YCMHPRUJOMFXNM-UHFFFAOYSA-N 0 0 451.548 4.848 20 30 JJEDRN N#Cc1cc(Br)cc(COC(=O)[C@H]2CCOc3ccc(Br)cc32)c1 ZINC001459677711 1067381175 /nfs/dbraw/zinc/38/11/75/1067381175.db2.gz WQUSFFVRJFRBCI-HNNXBMFYSA-N 0 0 451.114 4.693 20 30 JJEDRN Cc1cc(F)ccc1N(CC(=O)NCCc1nc2ccccc2s1)Cc1cccc(C#N)c1 ZINC001459708147 1067390326 /nfs/dbraw/zinc/39/03/26/1067390326.db2.gz TTXPVLBONCRSNS-UHFFFAOYSA-N 0 0 458.562 4.981 20 30 JJEDRN Cc1nc(C2(NCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)CCCCCC2)no1 ZINC001459746677 1067404013 /nfs/dbraw/zinc/40/40/13/1067404013.db2.gz BZCPIJHBDWRNEI-UHFFFAOYSA-N 0 0 452.603 4.951 20 30 JJEDRN N#Cc1ccc(OC2CCN(C(=O)[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)CC2)cc1 ZINC001459785205 1067421620 /nfs/dbraw/zinc/42/16/20/1067421620.db2.gz LESMOVZDZKKWFN-XMMPIXPASA-N 0 0 458.480 4.596 20 30 JJEDRN N#Cc1ccc(OC2CCN(C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)CC2)cc1 ZINC001459785921 1067421656 /nfs/dbraw/zinc/42/16/56/1067421656.db2.gz PVXCFBDBUQZKNM-UHFFFAOYSA-N 0 0 458.415 4.585 20 30 JJEDRN C#Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)Cc2ccccc2)c1 ZINC001459804807 1067430558 /nfs/dbraw/zinc/43/05/58/1067430558.db2.gz XDRXIPFRLGRPHK-UHFFFAOYSA-N 0 0 451.570 4.986 20 30 JJEDRN COC[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC001459838400 1067447499 /nfs/dbraw/zinc/44/74/99/1067447499.db2.gz XWUUJMLXXOLICV-BEFAXECRSA-N 0 0 451.514 4.873 20 30 JJEDRN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)CCc2ccc(Cl)cc2)cc1 ZINC001459876254 1067469413 /nfs/dbraw/zinc/46/94/13/1067469413.db2.gz WDZMSYRUSRSKPJ-UHFFFAOYSA-N 0 0 450.970 4.741 20 30 JJEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC001459893742 1067476641 /nfs/dbraw/zinc/47/66/41/1067476641.db2.gz AGXVOSLXIWCRPF-NRFANRHFSA-N 0 0 455.331 4.626 20 30 JJEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC001459896162 1067477746 /nfs/dbraw/zinc/47/77/46/1067477746.db2.gz KULXNBFVZXDEGT-QFIPXVFZSA-N 0 0 455.331 4.626 20 30 JJEDRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC001459898984 1067478561 /nfs/dbraw/zinc/47/85/61/1067478561.db2.gz IMNCKKAOIXNWES-NRFANRHFSA-N 0 0 452.396 4.754 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCOc3ccc(Br)cc3C2)c1 ZINC001460013941 1067527301 /nfs/dbraw/zinc/52/73/01/1067527301.db2.gz ZVZGMOQHRBABHR-SFHVURJKSA-N 0 0 456.384 4.596 20 30 JJEDRN Cc1c(Cl)cccc1N1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001460016152 1067528713 /nfs/dbraw/zinc/52/87/13/1067528713.db2.gz RKEBSDBLMFWWFF-UHFFFAOYSA-N 0 0 454.977 4.615 20 30 JJEDRN COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cc2)c1 ZINC001460030032 1067533628 /nfs/dbraw/zinc/53/36/28/1067533628.db2.gz IBGVZKNBQPXCCN-AREMUKBSSA-N 0 0 457.530 4.653 20 30 JJEDRN COc1cc(C#N)ccc1OCCN(Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 ZINC001460034070 1067535310 /nfs/dbraw/zinc/53/53/10/1067535310.db2.gz LHYHTPHVAQHJGE-FQEVSTJZSA-N 0 0 459.384 4.698 20 30 JJEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC001460046297 1067538203 /nfs/dbraw/zinc/53/82/03/1067538203.db2.gz LRHAUMXBKPCESU-SANMLTNESA-N 0 0 458.993 4.752 20 30 JJEDRN FC(F)(F)c1ccc(C#CCN(CCn2ccnc2)Cc2ccc(Br)o2)cc1 ZINC001460084521 1067550174 /nfs/dbraw/zinc/55/01/74/1067550174.db2.gz CIOVOYBJFHUYSB-UHFFFAOYSA-N 0 0 452.274 4.811 20 30 JJEDRN CC(C)(C)OC(=O)NCCN(CCc1ccccc1)Cc1ccc(C#N)cc1Br ZINC001460089404 1067551387 /nfs/dbraw/zinc/55/13/87/1067551387.db2.gz RNPPINVTLLHALR-UHFFFAOYSA-N 0 0 458.400 4.890 20 30 JJEDRN CN(C)c1ncc(Br)c(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)n1 ZINC001460090204 1067551776 /nfs/dbraw/zinc/55/17/76/1067551776.db2.gz YWTKBAXECPBIBY-UHFFFAOYSA-N 0 0 454.353 4.580 20 30 JJEDRN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1CCCc2cc(C#N)ccc21 ZINC001460173874 1067570572 /nfs/dbraw/zinc/57/05/72/1067570572.db2.gz WFQNMZWHIXOXPQ-HXUWFJFHSA-N 0 0 452.558 4.783 20 30 JJEDRN C#CCOc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC001460182073 1067573012 /nfs/dbraw/zinc/57/30/12/1067573012.db2.gz VRKIBWSQCBWAJF-UHFFFAOYSA-N 0 0 451.526 4.549 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H]1c1ccccc1F ZINC001460239171 1067588275 /nfs/dbraw/zinc/58/82/75/1067588275.db2.gz HWZZPYLNRCOGQQ-GHTZIAJQSA-N 0 0 474.374 4.953 20 30 JJEDRN CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](Cc3cccc(I)c3)C2)cc1 ZINC001460256679 1067592177 /nfs/dbraw/zinc/59/21/77/1067592177.db2.gz ZKWGURDUCOOADY-QGZVFWFLSA-N 0 0 458.343 4.797 20 30 JJEDRN COc1cc(NC(=O)CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c(OC)cc1Cl ZINC001460276894 1067596102 /nfs/dbraw/zinc/59/61/02/1067596102.db2.gz FULQOHHCAZHMRF-ZDUSSCGKSA-N 0 0 455.864 4.729 20 30 JJEDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC001460277398 1067596110 /nfs/dbraw/zinc/59/61/10/1067596110.db2.gz JPWMGZGSTHZYED-INIZCTEOSA-N 0 0 455.484 4.861 20 30 JJEDRN Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cc(I)cc(C)c1C ZINC001460452491 1067637053 /nfs/dbraw/zinc/63/70/53/1067637053.db2.gz YBDUUHNQQBLHIR-UHFFFAOYSA-N 0 0 456.287 4.526 20 30 JJEDRN CC(C)[C@H]1CCc2c(C#N)c(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)sc2C1 ZINC001460469832 1067640018 /nfs/dbraw/zinc/64/00/18/1067640018.db2.gz GPITVZWMAPDNJV-KRWDZBQOSA-N 0 0 456.633 4.672 20 30 JJEDRN CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)sc2C1 ZINC001460473238 1067640374 /nfs/dbraw/zinc/64/03/74/1067640374.db2.gz QCTKWWBZQSTCIS-OAHLLOKOSA-N 0 0 453.589 4.828 20 30 JJEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@@H](CCc2ccccc2)C(F)F)c1C#N ZINC001460577646 1067659666 /nfs/dbraw/zinc/65/96/66/1067659666.db2.gz NRPAKSSJIDZMPC-QFIPXVFZSA-N 0 0 454.521 4.755 20 30 JJEDRN COc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc(OC)c1Br ZINC001460636693 1067680611 /nfs/dbraw/zinc/68/06/11/1067680611.db2.gz DCFPTYZHFNLJPF-UHFFFAOYSA-N 0 0 454.280 4.778 20 30 JJEDRN C#C[C@@H](NC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1ccc(Br)cc1 ZINC001460783114 1067722476 /nfs/dbraw/zinc/72/24/76/1067722476.db2.gz BOHXUYZCFHNFST-GOSISDBHSA-N 0 0 457.349 4.598 20 30 JJEDRN C#C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001460784809 1067723333 /nfs/dbraw/zinc/72/33/33/1067723333.db2.gz BLFTXXYOQCHVQL-XMMPIXPASA-N 0 0 454.461 4.620 20 30 JJEDRN C#C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC)c1ccc(Cl)cc1F ZINC001460787408 1067723667 /nfs/dbraw/zinc/72/36/67/1067723667.db2.gz LAWWKZDRPIKOQK-RDTXWAMCSA-N 0 0 453.988 4.634 20 30 JJEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCC[C@H](c4ncccn4)C3)sc2C1 ZINC001460793084 1067724471 /nfs/dbraw/zinc/72/44/71/1067724471.db2.gz JUCQDCGXYZORDY-ZWKOTPCHSA-N 0 0 451.640 4.769 20 30 JJEDRN C#C[C@@H](NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC001460795766 1067724891 /nfs/dbraw/zinc/72/48/91/1067724891.db2.gz WDUSYWGZSWYVGO-OAQYLSRUSA-N 0 0 455.988 4.999 20 30 JJEDRN O=C(CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)Nc1cccc2ccccc21 ZINC001460877953 1067741008 /nfs/dbraw/zinc/74/10/08/1067741008.db2.gz QOLQBXGQUGBXJW-OKILXGFUSA-N 0 0 452.345 4.881 20 30 JJEDRN CCOC(=O)c1c(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)c(C#N)cn1CC ZINC001460985085 1067757252 /nfs/dbraw/zinc/75/72/52/1067757252.db2.gz FPUCSROQJOAHNH-UHFFFAOYSA-N 0 0 453.502 4.661 20 30 JJEDRN CCOC(=O)c1c(NC(=O)CCc2cc(Cl)ccc2Br)c(C#N)cn1CC ZINC001460990230 1067758429 /nfs/dbraw/zinc/75/84/29/1067758429.db2.gz ZNSFKYOCFAERKR-UHFFFAOYSA-N 0 0 452.736 4.544 20 30 JJEDRN C[C@@H](C(=O)Nc1cccc(C#N)c1Br)c1ccc(I)cc1 ZINC001461027719 1067764819 /nfs/dbraw/zinc/76/48/19/1067764819.db2.gz ZCGJUHMVJQYVIM-SNVBAGLBSA-N 0 0 455.093 4.668 20 30 JJEDRN N#Cc1cccc2c1CCN2C(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001461032153 1067765947 /nfs/dbraw/zinc/76/59/47/1067765947.db2.gz HCGZUPQSPWRMCV-UHFFFAOYSA-N 0 0 452.223 4.667 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1nn(C(C)(C)C)cc1Br ZINC001461064760 1067774336 /nfs/dbraw/zinc/77/43/36/1067774336.db2.gz IAIDMDKQTUZNDL-LBPRGKRZSA-N 0 0 457.294 4.974 20 30 JJEDRN Cc1cc(C(=O)Nc2ccnc(-c3cccc(Br)c3)n2)nn1-c1cccc(C#N)c1 ZINC001461298821 1067822040 /nfs/dbraw/zinc/82/20/40/1067822040.db2.gz WSKPCYHEXYSUAQ-UHFFFAOYSA-N 0 0 459.307 4.524 20 30 JJEDRN Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001461316643 1067826846 /nfs/dbraw/zinc/82/68/46/1067826846.db2.gz NJOKFEMOMWJGMS-UHFFFAOYSA-N 0 0 459.506 4.977 20 30 JJEDRN C=CCOc1c(Cl)cc(CNc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC001461484843 1067872141 /nfs/dbraw/zinc/87/21/41/1067872141.db2.gz KBEJJYODWMUSPR-UHFFFAOYSA-N 0 0 450.988 4.700 20 30 JJEDRN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001461532988 1067882583 /nfs/dbraw/zinc/88/25/83/1067882583.db2.gz XSDUZIQZKBDTGC-BEFAXECRSA-N 0 0 459.439 4.645 20 30 JJEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NCc2ccc(OC(F)F)cc2F)c1 ZINC001461551503 1067886707 /nfs/dbraw/zinc/88/67/07/1067886707.db2.gz JQBVONHPKKGAEM-QOMWVZHYSA-N 0 0 455.502 4.632 20 30 JJEDRN N#Cc1cccc(OCCCCC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC001461585100 1067894541 /nfs/dbraw/zinc/89/45/41/1067894541.db2.gz WXBKJMLHMIMYKS-AREMUKBSSA-N 0 0 453.542 4.621 20 30 JJEDRN N#C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1Br ZINC001461742335 1067929216 /nfs/dbraw/zinc/92/92/16/1067929216.db2.gz JWBPSQFIFWRHDS-CQSZACIVSA-N 0 0 458.537 4.625 20 30 JJEDRN N#Cc1cc(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cnc1C(F)(F)F ZINC001461768465 1067933470 /nfs/dbraw/zinc/93/34/70/1067933470.db2.gz NBKKRXPSTSMIML-OAHLLOKOSA-N 0 0 456.287 4.741 20 30 JJEDRN COc1cc(CCNC(=O)c2ccc(C#N)c(Cl)c2)cc(OC)c1OCc1ccccc1 ZINC001461773162 1067934491 /nfs/dbraw/zinc/93/44/91/1067934491.db2.gz AENQECRTSJLDOQ-UHFFFAOYSA-N 0 0 450.922 4.780 20 30 JJEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001461837012 1067944509 /nfs/dbraw/zinc/94/45/09/1067944509.db2.gz MXXWMRNICVQSPW-UHFFFAOYSA-N 0 0 457.500 4.854 20 30 JJEDRN Cc1cc(C2(NC(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCOCC2)on1 ZINC001461955601 1067968377 /nfs/dbraw/zinc/96/83/77/1067968377.db2.gz HPUVKCKOPMGOAB-UHFFFAOYSA-N 0 0 454.342 4.708 20 30 JJEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1cccc2sc(Br)cc21 ZINC001461975516 1067972965 /nfs/dbraw/zinc/97/29/65/1067972965.db2.gz LDUDSCJAJMBINW-UHFFFAOYSA-N 0 0 455.337 4.733 20 30 JJEDRN C=CC[C@]1(C(=O)N(C)Cc2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C ZINC001462013982 1067980953 /nfs/dbraw/zinc/98/09/53/1067980953.db2.gz IPQXYTSMSAEZLE-OAQYLSRUSA-N 0 0 455.368 4.892 20 30 JJEDRN COC(=O)CCSc1cc(Cl)ccc1NC(=O)c1cccc(C#N)c1Br ZINC001462083573 1067998093 /nfs/dbraw/zinc/99/80/93/1067998093.db2.gz VTWUPEWZMGRKKG-UHFFFAOYSA-N 0 0 453.745 4.882 20 30 JJEDRN Cc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)nn1-c1cccc(C#N)c1 ZINC001462146200 1068015022 /nfs/dbraw/zinc/01/50/22/1068015022.db2.gz MANNTMLNLKBDFA-FCHUYYIVSA-N 0 0 457.534 4.685 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21)C(=O)OCC ZINC001462159327 1068018871 /nfs/dbraw/zinc/01/88/71/1068018871.db2.gz XDDJGRVOAJWVFD-GOSISDBHSA-N 0 0 457.889 4.710 20 30 JJEDRN Cc1cccc(CN2CCO[C@@H](CNC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)C2)c1 ZINC001462234694 1068035226 /nfs/dbraw/zinc/03/52/26/1068035226.db2.gz OIZFTPGZLUYSPG-SANMLTNESA-N 0 0 455.558 4.598 20 30 JJEDRN COc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2Br)cc1C#N ZINC001462459673 1068078760 /nfs/dbraw/zinc/07/87/60/1068078760.db2.gz RFDIEVBHCLOCFG-UHFFFAOYSA-N 0 0 456.271 4.586 20 30 JJEDRN N#Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1C1CC1 ZINC001462466060 1068080388 /nfs/dbraw/zinc/08/03/88/1068080388.db2.gz KVOGQFDKOVASDL-LJQANCHMSA-N 0 0 457.317 4.586 20 30 JJEDRN C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC001462496494 1068085151 /nfs/dbraw/zinc/08/51/51/1068085151.db2.gz PMZJMLQABYUREY-RUZDIDTESA-N 0 0 459.487 4.955 20 30 JJEDRN C[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1cc(F)c(Cl)cc1Cl ZINC001462708072 1068138237 /nfs/dbraw/zinc/13/82/37/1068138237.db2.gz NTJFBVKZAYEREE-QMMMGPOBSA-N 0 0 452.132 4.806 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cc(C#N)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC001462780430 1068166555 /nfs/dbraw/zinc/16/65/55/1068166555.db2.gz RGZCCBPZKJXAGY-GOSISDBHSA-N 0 0 451.420 4.598 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)CCCF)ccc1Cl ZINC001462851172 1068189942 /nfs/dbraw/zinc/18/99/42/1068189942.db2.gz OJDKCKGBTPGTBC-UHFFFAOYSA-N 0 0 459.370 4.806 20 30 JJEDRN CCCc1c(C(=O)Nc2ccc(CCC#N)cc2)nnn1Cc1cccc(Br)c1 ZINC001462860753 1068194086 /nfs/dbraw/zinc/19/40/86/1068194086.db2.gz UYQDISYOZDFECL-UHFFFAOYSA-N 0 0 452.356 4.750 20 30 JJEDRN N#Cc1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)c(I)c1 ZINC001462863204 1068195064 /nfs/dbraw/zinc/19/50/64/1068195064.db2.gz LUGFJUNJTJMSEO-UHFFFAOYSA-N 0 0 456.205 4.852 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCc3ccc(C)c(C(=O)OC)c32)s1 ZINC001462868821 1068197250 /nfs/dbraw/zinc/19/72/50/1068197250.db2.gz CWKIGMYLOVUQFU-UHFFFAOYSA-N 0 0 451.013 4.913 20 30 JJEDRN CC1(C)CCc2sc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)c(C#N)c21 ZINC001462937162 1068221308 /nfs/dbraw/zinc/22/13/08/1068221308.db2.gz WQBCVQWGIDVEEQ-GFCCVEGCSA-N 0 0 458.381 4.598 20 30 JJEDRN C=CCCc1ccc(S(=O)(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1 ZINC001462947931 1068225111 /nfs/dbraw/zinc/22/51/11/1068225111.db2.gz OASDDFTWXICFRM-UHFFFAOYSA-N 0 0 450.398 4.552 20 30 JJEDRN C#CCN(C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C1CC[NH+](C)CC1 ZINC001463000379 1068244377 /nfs/dbraw/zinc/24/43/77/1068244377.db2.gz WGUZBWXEBFCJLQ-FXBPSFAMSA-N 0 0 459.615 4.792 20 30 JJEDRN CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC001463016384 1068252702 /nfs/dbraw/zinc/25/27/02/1068252702.db2.gz LCOYHGAXVNJFSZ-UHFFFAOYSA-N 0 0 453.495 4.872 20 30 JJEDRN COC(=O)c1ccccc1CCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001463017201 1068253177 /nfs/dbraw/zinc/25/31/77/1068253177.db2.gz RCWHPYYIUVRKTB-UHFFFAOYSA-N 0 0 451.338 4.735 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC001463021125 1068254749 /nfs/dbraw/zinc/25/47/49/1068254749.db2.gz WGWOAOCSJHLCTN-UHFFFAOYSA-N 0 0 456.361 4.835 20 30 JJEDRN CN([C@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1cccc(C#N)c1Cl ZINC001463053648 1068267454 /nfs/dbraw/zinc/26/74/54/1068267454.db2.gz KSYNBGVHTIHOFH-AWEZNQCLSA-N 0 0 457.802 4.832 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)cc1C(F)(F)F ZINC001463101234 1068287625 /nfs/dbraw/zinc/28/76/25/1068287625.db2.gz ZOBFBGOJEPMTKY-UHFFFAOYSA-N 0 0 452.454 4.864 20 30 JJEDRN Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001463105602 1068289490 /nfs/dbraw/zinc/28/94/90/1068289490.db2.gz CXFZDZGGHXNZLP-UHFFFAOYSA-N 0 0 450.232 4.604 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC001463111954 1068291160 /nfs/dbraw/zinc/29/11/60/1068291160.db2.gz SBFHDEAZFHLUAA-FQEVSTJZSA-N 0 0 456.589 4.518 20 30 JJEDRN O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463147635 1068302456 /nfs/dbraw/zinc/30/24/56/1068302456.db2.gz CYNMUGRRXCWOQK-AOOOYVTPSA-N 0 0 457.239 4.828 20 30 JJEDRN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463149107 1068303069 /nfs/dbraw/zinc/30/30/69/1068303069.db2.gz LJXZXIHDGWEFCV-CHWSQXEVSA-N 0 0 459.333 4.503 20 30 JJEDRN C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c(Cl)c1 ZINC001463161653 1068307016 /nfs/dbraw/zinc/30/70/16/1068307016.db2.gz YQKNRGUQLMMIJX-INIZCTEOSA-N 0 0 450.947 4.714 20 30 JJEDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC001463194955 1068316649 /nfs/dbraw/zinc/31/66/49/1068316649.db2.gz GWMMTBFSGPHBRZ-SFHVURJKSA-N 0 0 456.999 4.905 20 30 JJEDRN N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC001463198100 1068317808 /nfs/dbraw/zinc/31/78/08/1068317808.db2.gz COJWZDKEFWPIAJ-FQEVSTJZSA-N 0 0 455.377 4.626 20 30 JJEDRN N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC001463198104 1068317838 /nfs/dbraw/zinc/31/78/38/1068317838.db2.gz COJWZDKEFWPIAJ-HXUWFJFHSA-N 0 0 455.377 4.626 20 30 JJEDRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)S(=O)(=O)CC(C)(C)C#N ZINC001463219625 1068323896 /nfs/dbraw/zinc/32/38/96/1068323896.db2.gz LMOMYSCYYDEEIW-UHFFFAOYSA-N 0 0 453.402 4.571 20 30 JJEDRN C=CC[S@@](=O)(=NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccccc1 ZINC001463271743 1068340639 /nfs/dbraw/zinc/34/06/39/1068340639.db2.gz PTXVSMXZFVMODT-WRONEBCDSA-N 0 0 453.391 4.606 20 30 JJEDRN C=CC[S@](=O)(=NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccccc1 ZINC001463271000 1068340388 /nfs/dbraw/zinc/34/03/88/1068340388.db2.gz LVVSWOZMVNNEFT-JGCGQSQUSA-N 0 0 452.507 4.697 20 30 JJEDRN Cc1nc(CCC(=O)Oc2c(C)nn(CCC#N)c2C)oc1-c1ccc(Br)cc1 ZINC001463278169 1068341833 /nfs/dbraw/zinc/34/18/33/1068341833.db2.gz IVBMEZVLQGRNMY-UHFFFAOYSA-N 0 0 457.328 4.678 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)N(Cc2ccccc2Br)C2CCCC2)c(F)c1 ZINC001463311777 1068352121 /nfs/dbraw/zinc/35/21/21/1068352121.db2.gz HVHWZAYWDRHTTL-UHFFFAOYSA-N 0 0 455.324 4.732 20 30 JJEDRN C=CCc1ccc(OCC(=O)Oc2cc(Br)ccc2Br)c(OC)c1 ZINC001463509202 1068424021 /nfs/dbraw/zinc/42/40/21/1068424021.db2.gz BEQCDXXJOTUUPS-UHFFFAOYSA-N 0 0 456.130 4.933 20 30 JJEDRN C=C(C)[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)c1ccc(F)c(F)c1 ZINC001463555236 1068440314 /nfs/dbraw/zinc/44/03/14/1068440314.db2.gz QYBKRFOPAVCSRT-QFIPXVFZSA-N 0 0 454.502 4.603 20 30 JJEDRN C=CC[C@H]1N(S(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)CCCC1(C)C ZINC001463624939 1068471485 /nfs/dbraw/zinc/47/14/85/1068471485.db2.gz IEYKIXCDKGVYBK-GOSISDBHSA-N 0 0 458.418 4.690 20 30 JJEDRN C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC001463631516 1068475563 /nfs/dbraw/zinc/47/55/63/1068475563.db2.gz GXETUQYZKYVQRK-WOJBJXKFSA-N 0 0 454.571 4.611 20 30 JJEDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC001463672060 1068489794 /nfs/dbraw/zinc/48/97/94/1068489794.db2.gz HCVRYEQNQVLIQT-GFCCVEGCSA-N 0 0 450.404 4.848 20 30 JJEDRN O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001463715190 1068503215 /nfs/dbraw/zinc/50/32/15/1068503215.db2.gz KGMNCJBXNBGWEN-HQJQHLMTSA-N 0 0 463.293 4.618 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCSCc3ccccc3C#N)cc2C1 ZINC001463723956 1068505251 /nfs/dbraw/zinc/50/52/51/1068505251.db2.gz LHDFVWUWMFSTAN-UHFFFAOYSA-N 0 0 451.592 4.515 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c(Br)c2)cc1Br ZINC001463725760 1068505754 /nfs/dbraw/zinc/50/57/54/1068505754.db2.gz SLCXRGSIFZBARL-UHFFFAOYSA-N 0 0 451.523 4.504 20 30 JJEDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001463795105 1068527040 /nfs/dbraw/zinc/52/70/40/1068527040.db2.gz MXRNWHOVKKUPRW-OAQYLSRUSA-N 0 0 456.543 4.649 20 30 JJEDRN C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001463797212 1068527993 /nfs/dbraw/zinc/52/79/93/1068527993.db2.gz SIKNDWZOXYOFIF-FNZWTVRRSA-N 0 0 455.533 4.569 20 30 JJEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC001463797971 1068528595 /nfs/dbraw/zinc/52/85/95/1068528595.db2.gz TZCFBTMDVCAAAN-HXUWFJFHSA-N 0 0 454.393 4.615 20 30 JJEDRN Cc1cc(C2(NS(=O)(=O)c3ccc(C#N)c(F)c3)CCCCC2)ccc1Br ZINC001463893361 1068557834 /nfs/dbraw/zinc/55/78/34/1068557834.db2.gz JPCOBNJPRHYLCU-UHFFFAOYSA-N 0 0 451.361 4.906 20 30 JJEDRN CCOc1ccc(C(=O)CCC(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)cc1 ZINC001463895719 1068558251 /nfs/dbraw/zinc/55/82/51/1068558251.db2.gz FWXNXNALVJRUNL-UHFFFAOYSA-N 0 0 455.510 4.873 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001463899920 1068559907 /nfs/dbraw/zinc/55/99/07/1068559907.db2.gz UACVXXYQGAOGPW-PXNSSMCTSA-N 0 0 459.468 4.608 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc(C)n(C4CCOCC4)c3C)c2)c1 ZINC001463900003 1068559963 /nfs/dbraw/zinc/55/99/63/1068559963.db2.gz VWFIPGAMTIZIEN-UHFFFAOYSA-N 0 0 456.542 4.895 20 30 JJEDRN C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001463921274 1068566200 /nfs/dbraw/zinc/56/62/00/1068566200.db2.gz BKOIUPUPLDKQAT-QGZVFWFLSA-N 0 0 450.539 4.862 20 30 JJEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)cc1 ZINC001463921871 1068566740 /nfs/dbraw/zinc/56/67/40/1068566740.db2.gz GOWBOJLLOUBHJQ-UHFFFAOYSA-N 0 0 452.555 4.656 20 30 JJEDRN COc1ccc(Cl)c2c1CCC[C@H]2N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC001463988624 1068582103 /nfs/dbraw/zinc/58/21/03/1068582103.db2.gz HVCONLOYQOHEOX-QGZVFWFLSA-N 0 0 458.889 4.937 20 30 JJEDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Br)cc1)O[C@H](C)C2 ZINC001464015007 1068589525 /nfs/dbraw/zinc/58/95/25/1068589525.db2.gz GLOGDWXXOXFUEY-IKTSWFPUSA-N 0 0 455.352 4.656 20 30 JJEDRN CCCCc1ccc(N2C[C@@H](C(=O)N[C@H](C#N)c3ccc(Br)cc3)CC2=O)cc1 ZINC001464016779 1068589831 /nfs/dbraw/zinc/58/98/31/1068589831.db2.gz KUGGMRRLNKOGEF-GHTZIAJQSA-N 0 0 454.368 4.526 20 30 JJEDRN CCCCc1ccc(N2C[C@H](C(=O)N[C@H](C#N)c3ccc(Br)cc3)CC2=O)cc1 ZINC001464016795 1068590041 /nfs/dbraw/zinc/59/00/41/1068590041.db2.gz KUGGMRRLNKOGEF-WIYYLYMNSA-N 0 0 454.368 4.526 20 30 JJEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464050657 1068600503 /nfs/dbraw/zinc/60/05/03/1068600503.db2.gz XQPAWQBBWXAISI-UHFFFAOYSA-N 0 0 453.542 4.836 20 30 JJEDRN C=CCC[C@H](C(=O)N1CCN(CCCc2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 ZINC001464076321 1068607056 /nfs/dbraw/zinc/60/70/56/1068607056.db2.gz GITALIRUHMYFDW-VWLOTQADSA-N 0 0 458.606 4.872 20 30 JJEDRN Cc1cnn(-c2cc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(N)cc2F)c1 ZINC001464091766 1068611922 /nfs/dbraw/zinc/61/19/22/1068611922.db2.gz NIKLRLAMFNXGRT-GHMZBOCLSA-N 0 0 452.374 4.541 20 30 JJEDRN N#CCc1ccc(Oc2ccc(C(=O)NC3CCN(C(=O)c4ccccc4F)CC3)cc2)cc1 ZINC001464184285 1068646950 /nfs/dbraw/zinc/64/69/50/1068646950.db2.gz ALQKCBYFJIGCPD-UHFFFAOYSA-N 0 0 457.505 4.719 20 30 JJEDRN C=CC1(CC(=O)NCc2ccc(COCc3ccccc3)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001464189945 1068648981 /nfs/dbraw/zinc/64/89/81/1068648981.db2.gz SQSDAHIKJYIWAZ-UHFFFAOYSA-N 0 0 450.579 4.833 20 30 JJEDRN C=C[C@@H](CC(=O)Nc1ccc(CS(=O)(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 ZINC001464242757 1068672769 /nfs/dbraw/zinc/67/27/69/1068672769.db2.gz SJTYIALMSWCCIM-FQEVSTJZSA-N 0 0 450.560 4.936 20 30 JJEDRN N#Cc1ccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3F)s2)c(C(F)(F)F)c1 ZINC001464297230 1068695668 /nfs/dbraw/zinc/69/56/68/1068695668.db2.gz RJRLOEMUSWVJRT-UHFFFAOYSA-N 0 0 450.373 4.924 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC001464353328 1068716875 /nfs/dbraw/zinc/71/68/75/1068716875.db2.gz ZZGWTKSYUSZIII-WMTXJRDZSA-N 0 0 461.562 4.773 20 30 JJEDRN C=CCCC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)c1ccccc1 ZINC001464379672 1068724750 /nfs/dbraw/zinc/72/47/50/1068724750.db2.gz KJZLYJMDGOATOF-QGZVFWFLSA-N 0 0 452.370 4.612 20 30 JJEDRN C[C@@H](C#N)CN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001464395057 1068730415 /nfs/dbraw/zinc/73/04/15/1068730415.db2.gz DTSGFVUPEMFNKS-SIBVEZHUSA-N 0 0 453.542 4.884 20 30 JJEDRN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001464436619 1068745042 /nfs/dbraw/zinc/74/50/42/1068745042.db2.gz KEKFWUDYFLDSNN-LBPRGKRZSA-N 0 0 450.354 4.999 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)CCC ZINC001464575764 1068788421 /nfs/dbraw/zinc/78/84/21/1068788421.db2.gz ZUXJXUKRVXIDOY-HXOBKFHXSA-N 0 0 451.954 4.845 20 30 JJEDRN Cc1ccc(N(CCC#N)C(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)cc1 ZINC001464643901 1068809394 /nfs/dbraw/zinc/80/93/94/1068809394.db2.gz XOFDBRREBNPAKG-UHFFFAOYSA-N 0 0 451.567 4.778 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)cc1 ZINC001464686357 1068825244 /nfs/dbraw/zinc/82/52/44/1068825244.db2.gz JZQLEHXVMVTIMG-ROUUACIJSA-N 0 0 458.518 4.620 20 30 JJEDRN CCCCCOc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC001464707306 1068832959 /nfs/dbraw/zinc/83/29/59/1068832959.db2.gz YSPCAYDZGAPQNV-UHFFFAOYSA-N 0 0 451.542 4.578 20 30 JJEDRN COc1cc(/C=C2\CSC/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000032798804 563109800 /nfs/dbraw/zinc/10/98/00/563109800.db2.gz AKXBYDPKCCRYOP-ZEELXFFVSA-N 0 0 472.559 4.521 20 30 JJEDRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3ccc(Cl)nc3C#N)CC2)c2ccccc21 ZINC001164629414 719139392 /nfs/dbraw/zinc/13/93/92/719139392.db2.gz ARVZHIVUXALBOT-OAQYLSRUSA-N 0 0 488.966 4.629 20 30 JJEDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@H]3O2)n1 ZINC001164653082 719301901 /nfs/dbraw/zinc/30/19/01/719301901.db2.gz NYQRENAMLDMBDZ-FFZOFVMBSA-N 0 0 471.895 4.867 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H](N4CCCC4=O)[C@@H]4OCCC[C@H]4C3)cc2c1Cl ZINC001164648180 719306599 /nfs/dbraw/zinc/30/65/99/719306599.db2.gz QFLQQDXZHWXXBO-WMHILYHISA-N 0 0 495.357 4.564 20 30 JJEDRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)CC2 ZINC001164651682 719317817 /nfs/dbraw/zinc/31/78/17/719317817.db2.gz HMPNLCRNSOWIII-UHFFFAOYSA-N 0 0 485.970 4.615 20 30 JJEDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2 ZINC001164664566 719348144 /nfs/dbraw/zinc/34/81/44/719348144.db2.gz YQOJSGDMBCLEAC-UHFFFAOYSA-N 0 0 482.966 4.846 20 30 JJEDRN N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)cc1 ZINC001164679126 719531441 /nfs/dbraw/zinc/53/14/41/719531441.db2.gz TYPKZEMHBVSIEE-UHFFFAOYSA-N 0 0 493.970 4.804 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5ccnc5)c4C3)cnc2Cl)c1 ZINC001164676760 719568186 /nfs/dbraw/zinc/56/81/86/719568186.db2.gz MXDVRSZYXNGBNB-UHFFFAOYSA-N 0 0 466.879 4.614 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)[C@@H]2CC ZINC001164700716 719821351 /nfs/dbraw/zinc/82/13/51/719821351.db2.gz LRXOWCIFQMFFHT-YIXXDRMTSA-N 0 0 480.056 4.614 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)[C@@H]2CC ZINC001164704481 719821758 /nfs/dbraw/zinc/82/17/58/719821758.db2.gz YDQGQPUVQPLBRE-GJZUVCINSA-N 0 0 466.029 4.572 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)[C@H]2CC ZINC001164704483 719821830 /nfs/dbraw/zinc/82/18/30/719821830.db2.gz YDQGQPUVQPLBRE-NVQXNPDNSA-N 0 0 466.029 4.572 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)[C@H]2CC ZINC001164704065 719823869 /nfs/dbraw/zinc/82/38/69/719823869.db2.gz XKETWRWPDLPFKD-PGRDOPGGSA-N 0 0 461.944 4.663 20 30 JJEDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(-c2ccccc2)c(-c2ccccc2)cc1C#N ZINC001164700264 719878753 /nfs/dbraw/zinc/87/87/53/719878753.db2.gz IWHLDEGYXNLRNB-FYBSXPHGSA-N 0 0 496.611 4.520 20 30 JJEDRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001164722404 720318676 /nfs/dbraw/zinc/31/86/76/720318676.db2.gz KYJXJAPIIPTJDF-QFIPXVFZSA-N 0 0 498.965 4.836 20 30 JJEDRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825929 720386855 /nfs/dbraw/zinc/38/68/55/720386855.db2.gz VXMWUXOHMBFZPH-BFYDXBDKSA-N 0 0 475.348 4.523 20 30 JJEDRN N#Cc1ccc(C(F)(F)N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)nc1Cl ZINC001164843464 720743810 /nfs/dbraw/zinc/74/38/10/720743810.db2.gz KLIRYIIBTXMNGE-UHFFFAOYSA-N 0 0 482.918 4.939 20 30 JJEDRN N#Cc1cc(Cl)nc(C(F)(F)N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)c1 ZINC001164843098 720744469 /nfs/dbraw/zinc/74/44/69/720744469.db2.gz IIKLABCDHKSECA-UHFFFAOYSA-N 0 0 482.918 4.939 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC001164841965 720744791 /nfs/dbraw/zinc/74/47/91/720744791.db2.gz BGWSGCDOVDHKDD-UHFFFAOYSA-N 0 0 482.918 4.939 20 30 JJEDRN N#Cc1cc(C(F)(F)N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)cc(Cl)n1 ZINC001164843103 720744994 /nfs/dbraw/zinc/74/49/94/720744994.db2.gz INERUWHTDFSUHO-UHFFFAOYSA-N 0 0 482.918 4.939 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCC(=O)N4c3ccccc3)c(Cl)nn2)c1 ZINC001164847195 720769219 /nfs/dbraw/zinc/76/92/19/720769219.db2.gz LUHUOOGBARGNKQ-FGZHOGPDSA-N 0 0 479.918 4.988 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@H]43)cc2c1Cl ZINC001164763049 721011896 /nfs/dbraw/zinc/01/18/96/721011896.db2.gz XDBZKDXSYMATRF-RLLQIKCJSA-N 0 0 491.325 4.774 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]32)N=C1C ZINC001164873904 721236036 /nfs/dbraw/zinc/23/60/36/721236036.db2.gz QVHFMTYJTJWSNR-SNYIIPAISA-N 0 0 483.950 4.684 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@H]32)N=C1C ZINC001164871775 721236151 /nfs/dbraw/zinc/23/61/51/721236151.db2.gz HUWHEKKTEDIORU-SNYIIPAISA-N 0 0 483.950 4.684 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@H]43)c(Cl)nn2)c1 ZINC001164871895 721252938 /nfs/dbraw/zinc/25/29/38/721252938.db2.gz BQMSFTDGECKTJI-PTUXOGIPSA-N 0 0 497.933 4.814 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001164874234 721254315 /nfs/dbraw/zinc/25/43/15/721254315.db2.gz JXQSFFQWWAPPLX-KSFYIVLOSA-N 0 0 495.357 4.753 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)c1 ZINC001164883153 721360701 /nfs/dbraw/zinc/36/07/01/721360701.db2.gz NPPMMNUWOIZTQF-RTBURBONSA-N 0 0 471.920 4.659 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164780402 721382868 /nfs/dbraw/zinc/38/28/68/721382868.db2.gz GWAZQGPEKUZMJE-IIBYNOLFSA-N 0 0 483.346 4.792 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2ccnc(Cl)c2C#N)CCO3)cs1 ZINC001164780501 721443316 /nfs/dbraw/zinc/44/33/16/721443316.db2.gz BXUPLWWWDZROTN-MGPUTAFESA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(Cl)ncc2C#N)CCO3)cs1 ZINC001164781930 721443900 /nfs/dbraw/zinc/44/39/00/721443900.db2.gz HMOPCWZQMVRQES-UZLBHIALSA-N 0 0 468.957 4.509 20 30 JJEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)CC2 ZINC001164783984 721447921 /nfs/dbraw/zinc/44/79/21/721447921.db2.gz DDEWGKKERAAZDU-UHFFFAOYSA-N 0 0 459.928 4.649 20 30 JJEDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)CC[C@H]21 ZINC001164890614 721468106 /nfs/dbraw/zinc/46/81/06/721468106.db2.gz JXMHIJGSMOOCRV-WIYYLYMNSA-N 0 0 458.940 4.902 20 30 JJEDRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC2)C1=O ZINC001164894980 721471748 /nfs/dbraw/zinc/47/17/48/721471748.db2.gz PPWVAJDYHGCFSZ-UHFFFAOYSA-N 0 0 465.331 4.606 20 30 JJEDRN CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)Cc2cnn(C)c21 ZINC001164793518 721478931 /nfs/dbraw/zinc/47/89/31/721478931.db2.gz WOTWEHRQZNSZFE-SFHVURJKSA-N 0 0 457.912 4.692 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3Cc4nccn4C[C@@H](Cn4cccn4)C3)cc2c1Cl ZINC001164899719 721488792 /nfs/dbraw/zinc/48/87/92/721488792.db2.gz ZYXYLEZAMORVJR-CQSZACIVSA-N 0 0 488.329 4.688 20 30 JJEDRN CN(Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164804991 721591991 /nfs/dbraw/zinc/59/19/91/721591991.db2.gz JYTFYARPGQGWLE-MIZPHKNDSA-N 0 0 468.388 4.676 20 30 JJEDRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)c3ccc(Cl)nc3C#N)CC2)Oc2ccccc21 ZINC001164803569 721593128 /nfs/dbraw/zinc/59/31/28/721593128.db2.gz WWJKFUSIZXGKGG-KRWDZBQOSA-N 0 0 488.966 4.972 20 30 JJEDRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)cc3C#N)CC2)Oc2ccccc21 ZINC001164796012 721593272 /nfs/dbraw/zinc/59/32/72/721593272.db2.gz ACUPIYHFJHSFSN-QGZVFWFLSA-N 0 0 488.966 4.972 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164798768 721603427 /nfs/dbraw/zinc/60/34/27/721603427.db2.gz IGQIHMSXECJQAF-HNNXBMFYSA-N 0 0 483.346 4.902 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001164797254 721605483 /nfs/dbraw/zinc/60/54/83/721605483.db2.gz AXVNVYYMCBSEJZ-HXUWFJFHSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)c1 ZINC001164804184 721605640 /nfs/dbraw/zinc/60/56/40/721605640.db2.gz XTGSOGDTSQHQSJ-HXUWFJFHSA-N 0 0 480.302 4.559 20 30 JJEDRN CC(C)N(C)Cc1nnc2n1CCCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)C2 ZINC001165010231 721705694 /nfs/dbraw/zinc/70/56/94/721705694.db2.gz FTJTWDBUPWDARK-UHFFFAOYSA-N 0 0 457.607 4.677 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H](c2ccccc2)[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164912229 721740079 /nfs/dbraw/zinc/74/00/79/721740079.db2.gz NHICWJMNUDZSNT-QPPBQGQZSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cc(C(F)(F)N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)cnc1Cl ZINC001164913561 721741050 /nfs/dbraw/zinc/74/10/50/721741050.db2.gz WZHGWZFKJDNQRC-QPPBQGQZSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@H](c2ccccc2)[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164909132 721741523 /nfs/dbraw/zinc/74/15/23/721741523.db2.gz CEOKRSSQLOBNIB-QPPBQGQZSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164911199 721741945 /nfs/dbraw/zinc/74/19/45/721741945.db2.gz IOTVMIMTKXHGOU-ZJSXRUAMSA-N 0 0 479.918 4.574 20 30 JJEDRN CSc1nc(-c2ccccc2)nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1C#N ZINC001164909522 721757390 /nfs/dbraw/zinc/75/73/90/721757390.db2.gz GROMBPAFRUFVBK-UHFFFAOYSA-N 0 0 482.613 4.920 20 30 JJEDRN Cc1cnc2n1CCN(C)C21CCN(c2ncc(C#N)c3sc(-c4ccccc4)cc32)CC1 ZINC001164916867 721816259 /nfs/dbraw/zinc/81/62/59/721816259.db2.gz JXFHVZUBBNTNAY-UHFFFAOYSA-N 0 0 454.603 4.781 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)cnc2Cl)c1 ZINC001164920370 721841299 /nfs/dbraw/zinc/84/12/99/721841299.db2.gz JBICEZQNNPDIOA-OFVILXPXSA-N 0 0 496.945 4.883 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC001164927212 721899393 /nfs/dbraw/zinc/89/93/93/721899393.db2.gz HXQXPRPHQLHZBI-UHFFFAOYSA-N 0 0 468.935 4.709 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@@H]21 ZINC001164943389 721947607 /nfs/dbraw/zinc/94/76/07/721947607.db2.gz NXOQLSRXPPQOOR-XZOQPEGZSA-N 0 0 471.586 4.529 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@H]21 ZINC001164943386 721947652 /nfs/dbraw/zinc/94/76/52/721947652.db2.gz NXOQLSRXPPQOOR-DHIUTWEWSA-N 0 0 471.586 4.529 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2Cc3c(c(-c4ccccc4)nn3C)[C@H]2C1 ZINC001164952067 722004501 /nfs/dbraw/zinc/00/45/01/722004501.db2.gz KALQKHZKYPGKLF-WMZOPIPTSA-N 0 0 497.933 4.505 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H]2c3c(-c4ccccc4)nn(C)c3C[C@@H]2C1 ZINC001164952064 722004549 /nfs/dbraw/zinc/00/45/49/722004549.db2.gz KALQKHZKYPGKLF-SJLPKXTDSA-N 0 0 497.933 4.505 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)cc2c1Cl ZINC001164959755 722049617 /nfs/dbraw/zinc/04/96/17/722049617.db2.gz RUTRLTBQPYHBKZ-SJKOYZFVSA-N 0 0 477.298 4.902 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cccn5)c4C3)cnc2Cl)c1 ZINC001164959473 722051015 /nfs/dbraw/zinc/05/10/15/722051015.db2.gz KPYGQXQTSWJZPB-UHFFFAOYSA-N 0 0 466.879 4.614 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC(C(=O)NC5CCC5)C[C@H]4C3)cnc2Cl)c1 ZINC001164972740 722086300 /nfs/dbraw/zinc/08/63/00/722086300.db2.gz MODQLAOBACARLM-OALUTQOASA-N 0 0 470.951 4.950 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001164972110 722160820 /nfs/dbraw/zinc/16/08/20/722160820.db2.gz FRQDRVDQXYPABN-UHFFFAOYSA-N 0 0 456.924 4.836 20 30 JJEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)c1 ZINC001164975445 722161150 /nfs/dbraw/zinc/16/11/50/722161150.db2.gz SVWLJIIOMHRATO-UHFFFAOYSA-N 0 0 456.924 4.836 20 30 JJEDRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C2)C1=O ZINC001164979850 722163283 /nfs/dbraw/zinc/16/32/83/722163283.db2.gz LIYOPBRACPKVIE-XMMPIXPASA-N 0 0 464.903 4.943 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CCO2 ZINC001164976939 722169311 /nfs/dbraw/zinc/16/93/11/722169311.db2.gz LFOSEAFPLMSEPA-MGPUTAFESA-N 0 0 455.958 4.982 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)CCO2 ZINC001164973747 722169505 /nfs/dbraw/zinc/16/95/05/722169505.db2.gz CRKJYFBUZOTRCC-HRFSGMKKSA-N 0 0 482.694 4.744 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001164998323 722221617 /nfs/dbraw/zinc/22/16/17/722221617.db2.gz IJEXHXPBFOFZHT-NRFANRHFSA-N 0 0 456.924 4.732 20 30 JJEDRN CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001359716811 1064265723 /nfs/dbraw/zinc/26/57/23/1064265723.db2.gz WAUKSSPRTRRILE-UHFFFAOYSA-N 0 0 498.557 4.516 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1CCCCC1 ZINC001545859222 1064267559 /nfs/dbraw/zinc/26/75/59/1064267559.db2.gz HLEBILAOFYQEBY-UHFFFAOYSA-N 0 0 460.626 4.942 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CC=CCC1 ZINC001545859385 1064267992 /nfs/dbraw/zinc/26/79/92/1064267992.db2.gz LRLPPWPISDDZQY-OAQYLSRUSA-N 0 0 458.610 4.718 20 30 JJEDRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359734484 1064293875 /nfs/dbraw/zinc/29/38/75/1064293875.db2.gz UNEVCHJDOXVTIJ-INIZCTEOSA-N 0 0 477.922 4.896 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1sccc1C ZINC001545882082 1064297982 /nfs/dbraw/zinc/29/79/82/1064297982.db2.gz ORHKWYBOTRTBJY-UHFFFAOYSA-N 0 0 492.649 4.534 20 30 JJEDRN CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001359739018 1064304241 /nfs/dbraw/zinc/30/42/41/1064304241.db2.gz JPWPQJGDKGYWHY-UHFFFAOYSA-N 0 0 466.630 4.946 20 30 JJEDRN CC(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001359739119 1064305101 /nfs/dbraw/zinc/30/51/01/1064305101.db2.gz LMHQJPJKWPBVAB-HXUWFJFHSA-N 0 0 452.603 4.602 20 30 JJEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)cc1 ZINC001434886300 1064318453 /nfs/dbraw/zinc/31/84/53/1064318453.db2.gz YDFMXWCKDODSEQ-UHFFFAOYSA-N 0 0 458.537 4.875 20 30 JJEDRN COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1OC ZINC001434893935 1064323094 /nfs/dbraw/zinc/32/30/94/1064323094.db2.gz LSFUOUMFMIVLEB-UHFFFAOYSA-N 0 0 451.526 4.909 20 30 JJEDRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2Cl)n1 ZINC001434897380 1064325576 /nfs/dbraw/zinc/32/55/76/1064325576.db2.gz PLCHKGLFYMVRSR-CYBMUJFWSA-N 0 0 457.321 4.525 20 30 JJEDRN N#Cc1ccc(OCC(=O)NCCOc2ccccc2-c2ccccc2)cc1Br ZINC001434904475 1064331840 /nfs/dbraw/zinc/33/18/40/1064331840.db2.gz IMWWVZXRLROCNY-UHFFFAOYSA-N 0 0 451.320 4.562 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC001434912151 1064338927 /nfs/dbraw/zinc/33/89/27/1064338927.db2.gz ULYJCIXSVDEYBG-RTWAWAEBSA-N 0 0 451.571 4.725 20 30 JJEDRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001434915321 1064341953 /nfs/dbraw/zinc/34/19/53/1064341953.db2.gz JYIOZXVGTIJGBA-VWLOTQADSA-N 0 0 456.477 4.657 20 30 JJEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC(=O)N(CCCC)[C@H]1c1ccccc1OC ZINC001434920129 1064347298 /nfs/dbraw/zinc/34/72/98/1064347298.db2.gz PWFKQZFTLHMCKK-IGKIAQTJSA-N 0 0 459.590 4.861 20 30 JJEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC(=O)N(CCCC)[C@@H]1c1ccccc1OC ZINC001434920133 1064347338 /nfs/dbraw/zinc/34/73/38/1064347338.db2.gz PWFKQZFTLHMCKK-RPLLCQBOSA-N 0 0 459.590 4.861 20 30 JJEDRN C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001434920891 1064348912 /nfs/dbraw/zinc/34/89/12/1064348912.db2.gz PPLKMNJODVGBGT-UHFFFAOYSA-N 0 0 453.399 4.779 20 30 JJEDRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CCC#N)CC1CC1 ZINC001359756449 1064354101 /nfs/dbraw/zinc/35/41/01/1064354101.db2.gz RJZQFWMNAYNYDN-PZJWPPBQSA-N 0 0 472.431 4.899 20 30 JJEDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1 ZINC001359756785 1064355370 /nfs/dbraw/zinc/35/53/70/1064355370.db2.gz XZUKSQOAKJDNKZ-CTNGQTDRSA-N 0 0 472.431 4.899 20 30 JJEDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001359758506 1064360592 /nfs/dbraw/zinc/36/05/92/1064360592.db2.gz VIGLZKNLASRSJV-IRLDBZIGSA-N 0 0 450.974 4.563 20 30 JJEDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001359759659 1064364824 /nfs/dbraw/zinc/36/48/24/1064364824.db2.gz KMZPSEJISZUGHP-QGCDCVKKSA-N 0 0 464.010 4.727 20 30 JJEDRN C#CC[C@@]1(C(=O)Nc2ccc(Sc3ncccn3)cc2C)CCCN1C(=O)OC(C)(C)C ZINC001434946500 1064367547 /nfs/dbraw/zinc/36/75/47/1064367547.db2.gz YFHOMULIXLAXGP-DEOSSOPVSA-N 0 0 452.580 4.668 20 30 JJEDRN CC(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359760752 1064370020 /nfs/dbraw/zinc/37/00/20/1064370020.db2.gz YSOPVIGHSFWLSE-JGQIHZOTSA-N 0 0 473.568 4.517 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 ZINC001359761152 1064371694 /nfs/dbraw/zinc/37/16/94/1064371694.db2.gz DCWHFHKZESTLFE-LPHOPBHVSA-N 0 0 478.460 4.960 20 30 JJEDRN C=CCN(CCc1ccccc1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2c1cccc2OC ZINC001434952962 1064373663 /nfs/dbraw/zinc/37/36/63/1064373663.db2.gz KYLKMAALPUIDEC-MHZLTWQESA-N 0 0 450.579 4.619 20 30 JJEDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001359762139 1064374334 /nfs/dbraw/zinc/37/43/34/1064374334.db2.gz QKPMBVLDXUGQNH-AZGAKELHSA-N 0 0 478.685 4.512 20 30 JJEDRN CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359763180 1064378172 /nfs/dbraw/zinc/37/81/72/1064378172.db2.gz GQQFDXKDIJJMCQ-PFATUAPWSA-N 0 0 451.615 4.805 20 30 JJEDRN CC(C)(CNC(=O)Cc1ccc(Br)cc1C#N)c1cccc(Br)c1 ZINC001434965740 1064381389 /nfs/dbraw/zinc/38/13/89/1064381389.db2.gz MRMBYGAZUBUNBR-UHFFFAOYSA-N 0 0 450.174 4.720 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC001434976514 1064391875 /nfs/dbraw/zinc/39/18/75/1064391875.db2.gz WDJKZHFZJWBJLU-FQEVSTJZSA-N 0 0 455.514 4.968 20 30 JJEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)c1 ZINC001434983577 1064399239 /nfs/dbraw/zinc/39/92/39/1064399239.db2.gz NNDJAPFXLVTZOA-UHFFFAOYSA-N 0 0 450.498 4.713 20 30 JJEDRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001434983650 1064399431 /nfs/dbraw/zinc/39/94/31/1064399431.db2.gz BKANYPYBULZECE-UHFFFAOYSA-N 0 0 458.415 4.642 20 30 JJEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(Br)ccc3C3CC3)CC2)c1 ZINC001434985813 1064402057 /nfs/dbraw/zinc/40/20/57/1064402057.db2.gz SIRYIDLEUIULQI-UHFFFAOYSA-N 0 0 452.352 4.689 20 30 JJEDRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001435002555 1064418042 /nfs/dbraw/zinc/41/80/42/1064418042.db2.gz NNGULHKGUNUUPC-OAHLLOKOSA-N 0 0 455.345 4.529 20 30 JJEDRN N#Cc1cccc(COc2ccc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)cc2F)c1 ZINC001435008760 1064424622 /nfs/dbraw/zinc/42/46/22/1064424622.db2.gz MWCZSBRGHYQUQO-UHFFFAOYSA-N 0 0 458.415 4.619 20 30 JJEDRN CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359779993 1064427941 /nfs/dbraw/zinc/42/79/41/1064427941.db2.gz GHEDVUBGTWKTSI-UHFFFAOYSA-N 0 0 464.614 4.552 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001435014837 1064431587 /nfs/dbraw/zinc/43/15/87/1064431587.db2.gz HXSIVVADYPHRAJ-UHFFFAOYSA-N 0 0 459.458 4.768 20 30 JJEDRN C=C(C)COc1cccc(NC(=O)c2cnn(-c3ccccc3)c2I)c1 ZINC001435025599 1064443065 /nfs/dbraw/zinc/44/30/65/1064443065.db2.gz YYGSJARUTSKJMY-UHFFFAOYSA-N 0 0 459.287 4.684 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001359797605 1064459799 /nfs/dbraw/zinc/45/97/99/1064459799.db2.gz JIIAMIQJGFQFOW-SANMLTNESA-N 0 0 459.521 4.597 20 30 JJEDRN CCN(C(=O)COc1ccccc1C#N)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001435066741 1064486956 /nfs/dbraw/zinc/48/69/56/1064486956.db2.gz JCWCTZLXCXPGCD-HSZRJFAPSA-N 0 0 450.336 4.733 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001359818039 1064501198 /nfs/dbraw/zinc/50/11/98/1064501198.db2.gz QYEFLDRIJMCKIA-UHFFFAOYSA-N 0 0 484.526 4.858 20 30 JJEDRN CC(C)Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@@H]1CSCCS1 ZINC001359830267 1064512789 /nfs/dbraw/zinc/51/27/89/1064512789.db2.gz GDQZQVUTVYNVRV-FCHUYYIVSA-N 0 0 455.697 4.656 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC(F)(F)F)[C@H](C)C(C)C ZINC001435100000 1064513837 /nfs/dbraw/zinc/51/38/37/1064513837.db2.gz JZSOEKVPAJYSNA-GFCCVEGCSA-N 0 0 451.283 4.534 20 30 JJEDRN C=CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2C)nnc1-c1ccc(Cl)cc1 ZINC001435120698 1064526878 /nfs/dbraw/zinc/52/68/78/1064526878.db2.gz YIOYGULCIJVQJH-UHFFFAOYSA-N 0 0 456.015 4.567 20 30 JJEDRN Cc1cc(CC(C)(C)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)ccc1Br ZINC001435128817 1064534611 /nfs/dbraw/zinc/53/46/11/1064534611.db2.gz WOFPAGCGZMLRIQ-OAQYLSRUSA-N 0 0 454.412 4.563 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)ccc1OC ZINC001435135716 1064539393 /nfs/dbraw/zinc/53/93/93/1064539393.db2.gz SHMWSDMQBYZXRT-IBGZPJMESA-N 0 0 453.539 4.962 20 30 JJEDRN COCCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)c1ccc(C#N)cc1 ZINC001435143249 1064543541 /nfs/dbraw/zinc/54/35/41/1064543541.db2.gz LXMCABURGMBXSE-UHFFFAOYSA-N 0 0 457.361 4.890 20 30 JJEDRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 ZINC001359859098 1064546450 /nfs/dbraw/zinc/54/64/50/1064546450.db2.gz VLYDOILUQOHFDA-RPLLCQBOSA-N 0 0 452.558 4.507 20 30 JJEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCC2(c3cccc(Br)c3)CC2)o1 ZINC001435199034 1064586733 /nfs/dbraw/zinc/58/67/33/1064586733.db2.gz NMXHBIVZWLSBQA-UHFFFAOYSA-N 0 0 451.320 4.954 20 30 JJEDRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001359891523 1064592541 /nfs/dbraw/zinc/59/25/41/1064592541.db2.gz SKTJLEORWRQPNM-HOFKKMOUSA-N 0 0 460.626 4.791 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC001359897941 1064601723 /nfs/dbraw/zinc/60/17/23/1064601723.db2.gz JMFLRSDDXRUELA-UHFFFAOYSA-N 0 0 451.822 4.708 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001359898952 1064604700 /nfs/dbraw/zinc/60/47/00/1064604700.db2.gz DTPTVUISASZWIV-QFQXNSOFSA-N 0 0 465.642 4.932 20 30 JJEDRN CC(C)CC[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001359899323 1064605514 /nfs/dbraw/zinc/60/55/14/1064605514.db2.gz ILCCWGFJAWQRAJ-VXKWHMMOSA-N 0 0 466.026 4.853 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC001435237655 1064617319 /nfs/dbraw/zinc/61/73/19/1064617319.db2.gz HTPLDGPKRRZPAZ-UHFFFAOYSA-N 0 0 455.255 4.647 20 30 JJEDRN C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435251040 1064627667 /nfs/dbraw/zinc/62/76/67/1064627667.db2.gz ARFYSNDUBCUPRE-BCHFMIIMSA-N 0 0 459.521 4.509 20 30 JJEDRN CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359914428 1064634022 /nfs/dbraw/zinc/63/40/22/1064634022.db2.gz HEGMCHJUIOSZBI-UHFFFAOYSA-N 0 0 465.911 4.753 20 30 JJEDRN CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359914679 1064634782 /nfs/dbraw/zinc/63/47/82/1064634782.db2.gz LUELXHRONPNKST-UHFFFAOYSA-N 0 0 464.614 4.866 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccc(Br)cc2Cl)c1C ZINC001435262876 1064639379 /nfs/dbraw/zinc/63/93/79/1064639379.db2.gz GDTAAMIHXYBUSC-UHFFFAOYSA-N 0 0 459.731 4.794 20 30 JJEDRN COC(=O)Nc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc(C(F)(F)F)c1 ZINC001435264495 1064641587 /nfs/dbraw/zinc/64/15/87/1064641587.db2.gz RECSYQPJQMJJHK-UHFFFAOYSA-N 0 0 457.412 4.810 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(F)ccc2Br)n1CCC(C)(C)O ZINC001359926634 1064659394 /nfs/dbraw/zinc/65/93/94/1064659394.db2.gz WEEOOKKDMGHEGL-UHFFFAOYSA-N 0 0 466.399 4.774 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H]1CCCCO1 ZINC001359926990 1064661991 /nfs/dbraw/zinc/66/19/91/1064661991.db2.gz KFWMEVHVKXIBQV-OAQYLSRUSA-N 0 0 491.640 4.571 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)c1ccccn1 ZINC001359927092 1064662422 /nfs/dbraw/zinc/66/24/22/1064662422.db2.gz NPMIULHADMVLBL-UHFFFAOYSA-N 0 0 460.582 4.813 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1NC(=O)CC1(C)C ZINC001359927421 1064664027 /nfs/dbraw/zinc/66/40/27/1064664027.db2.gz YECSPDPJKCOTOA-QFIPXVFZSA-N 0 0 482.698 4.956 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)C(C)C ZINC001359929314 1064666472 /nfs/dbraw/zinc/66/64/72/1064666472.db2.gz BWYYGAICQOLVPG-LVXARBLLSA-N 0 0 490.693 4.566 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCc1csc(C(C)(C)C)n1 ZINC001359929874 1064667059 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/nfs/dbraw/zinc/84/52/88/1064845288.db2.gz IAZDJRDHBTZJLZ-GFCCVEGCSA-N 0 0 452.317 4.804 20 30 JJEDRN CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(C#N)c(Cl)c1 ZINC001435579223 1064845685 /nfs/dbraw/zinc/84/56/85/1064845685.db2.gz UGFVAPHGOBWTEO-CALCHBBNSA-N 0 0 459.999 4.545 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC(C)(C)c1ccccc1Br ZINC001435581195 1064847846 /nfs/dbraw/zinc/84/78/46/1064847846.db2.gz XKGYIPDYPNNWLB-KRWDZBQOSA-N 0 0 452.393 4.778 20 30 JJEDRN COC(=O)c1ccc([C@H](OC(=O)CSc2nc(C)c(C)c(C)c2C#N)C(F)(F)F)cc1 ZINC001435608164 1064871821 /nfs/dbraw/zinc/87/18/21/1064871821.db2.gz KIOFXRSDQWKPJD-SFHVURJKSA-N 0 0 452.454 4.604 20 30 JJEDRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCCCC2)C1 ZINC001360056450 1064887936 /nfs/dbraw/zinc/88/79/36/1064887936.db2.gz COQCUVXHOKIHJX-XMMPIXPASA-N 0 0 451.615 4.807 20 30 JJEDRN N#Cc1ccc(CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C2CC2)cc1 ZINC001435660108 1064914327 /nfs/dbraw/zinc/91/43/27/1064914327.db2.gz CWHYFTRLNROEMS-UHFFFAOYSA-N 0 0 457.353 4.556 20 30 JJEDRN CC(C)CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCOCC2)C1 ZINC001360076126 1064923587 /nfs/dbraw/zinc/92/35/87/1064923587.db2.gz GAYWJLRPJUOBOI-UHFFFAOYSA-N 0 0 471.696 4.698 20 30 JJEDRN CC(C)CSCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001360076329 1064925182 /nfs/dbraw/zinc/92/51/82/1064925182.db2.gz MDXMONHTAWMWPP-IBGZPJMESA-N 0 0 459.063 4.554 20 30 JJEDRN CC(C)CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360076486 1064926407 /nfs/dbraw/zinc/92/64/07/1064926407.db2.gz QKVPLIVRARPNFF-JOCHJYFZSA-N 0 0 496.725 4.975 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 ZINC001360077887 1064931312 /nfs/dbraw/zinc/93/13/12/1064931312.db2.gz FJIMSAXFMRNBBH-OAHLLOKOSA-N 0 0 454.914 4.550 20 30 JJEDRN CC(C)CSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001360089018 1064955241 /nfs/dbraw/zinc/95/52/41/1064955241.db2.gz GVILXXJPWIMZMD-DHIUTWEWSA-N 0 0 453.656 4.850 20 30 JJEDRN N#C[C@@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCCC2)c1ccc(OC(F)(F)F)cc1 ZINC001435743229 1064967500 /nfs/dbraw/zinc/96/75/00/1064967500.db2.gz XKFQRIMKYICJRD-GOSISDBHSA-N 0 0 458.415 4.783 20 30 JJEDRN COc1cc(CNC(=O)c2cc(C#N)oc2C)cc(Br)c1OCc1ccccc1 ZINC001435745605 1064969989 /nfs/dbraw/zinc/96/99/89/1064969989.db2.gz JVTBEFMTKAJTOG-UHFFFAOYSA-N 0 0 455.308 4.740 20 30 JJEDRN COc1ccc(CCC(=O)N[C@H](C#N)c2cccc(Br)c2)c(Br)c1 ZINC001435744815 1064970087 /nfs/dbraw/zinc/97/00/87/1064970087.db2.gz CVSVVACQORJRSB-QGZVFWFLSA-N 0 0 452.146 4.534 20 30 JJEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC001360095763 1064970624 /nfs/dbraw/zinc/97/06/24/1064970624.db2.gz HQROFPDPYDIPHC-UHFFFAOYSA-N 0 0 457.505 4.767 20 30 JJEDRN COc1ccccc1-c1nn(C)cc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001435767644 1064983722 /nfs/dbraw/zinc/98/37/22/1064983722.db2.gz RSNXGGSSLMDQEF-DEOSSOPVSA-N 0 0 452.514 4.669 20 30 JJEDRN N#Cc1ccc(OC2CCC(NC(=O)/C(F)=C/c3ccc(F)c(C(F)(F)F)c3)CC2)nc1 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C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2CC)nnc1-c1ccc(Cl)cc1 ZINC001436597589 1065390735 /nfs/dbraw/zinc/39/07/35/1065390735.db2.gz QUXZDKJERXJYIJ-UHFFFAOYSA-N 0 0 457.943 4.986 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360471058 1065390887 /nfs/dbraw/zinc/39/08/87/1065390887.db2.gz ZUMVUZPSFWMPRY-NSHDSACASA-N 0 0 485.333 4.970 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)C1CCCCC1 ZINC001360471233 1065390967 /nfs/dbraw/zinc/39/09/67/1065390967.db2.gz DNBOILCSZAAYDY-OPAMFIHVSA-N 0 0 460.420 4.777 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cccc1N1CCCC1 ZINC001360472006 1065392178 /nfs/dbraw/zinc/39/21/78/1065392178.db2.gz TWJTUNWARRSHRG-MRXNPFEDSA-N 0 0 453.953 4.519 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCSCC(F)(F)F ZINC001360474115 1065393681 /nfs/dbraw/zinc/39/36/81/1065393681.db2.gz HOARSKMSJNQHSA-AWEZNQCLSA-N 0 0 450.490 4.634 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)Cc2ccccc2C1 ZINC001360477176 1065395084 /nfs/dbraw/zinc/39/50/84/1065395084.db2.gz WTPHSKBCQLLHTM-OFNKIYASSA-N 0 0 492.668 4.936 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001360479042 1065396595 /nfs/dbraw/zinc/39/65/95/1065396595.db2.gz QDSDHVUQXUCDHY-JPAWQOSXSA-N 0 0 498.603 4.583 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCCCO1 ZINC001360480699 1065399708 /nfs/dbraw/zinc/39/97/08/1065399708.db2.gz FTIUIHZXRKMSTR-RDJZCZTQSA-N 0 0 452.386 4.861 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCC(F)(F)CC1 ZINC001360482549 1065401961 /nfs/dbraw/zinc/40/19/61/1065401961.db2.gz GEOJJZGWOZYWHP-WMZOPIPTSA-N 0 0 466.577 4.914 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)CC[C@H]1c1ccc(F)cc1 ZINC001436628341 1065405453 /nfs/dbraw/zinc/40/54/53/1065405453.db2.gz VPKYTAYNOIUKFV-FCHUYYIVSA-N 0 0 469.582 4.964 20 30 JJEDRN Cc1cc(Br)c2c(c1)CCCN2C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC001436638546 1065411257 /nfs/dbraw/zinc/41/12/57/1065411257.db2.gz VDYDMCYEBXBYAG-UHFFFAOYSA-N 0 0 454.368 4.764 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC001436641189 1065412939 /nfs/dbraw/zinc/41/29/39/1065412939.db2.gz FCLYDGULIDPCTR-RDJZCZTQSA-N 0 0 453.377 4.988 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC001436641190 1065412964 /nfs/dbraw/zinc/41/29/64/1065412964.db2.gz FCLYDGULIDPCTR-WBVHZDCISA-N 0 0 453.377 4.988 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)Cn1c(=O)sc(C)c1-c1ccccc1 ZINC001436641487 1065413050 /nfs/dbraw/zinc/41/30/50/1065413050.db2.gz QMFYLMVBAHKGON-UHFFFAOYSA-N 0 0 459.365 4.851 20 30 JJEDRN C#C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC001436650833 1065417541 /nfs/dbraw/zinc/41/75/41/1065417541.db2.gz FRTSPLNUKKALOH-BDJLRTHQSA-N 0 0 455.121 4.609 20 30 JJEDRN C[C@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001360498681 1065418121 /nfs/dbraw/zinc/41/81/21/1065418121.db2.gz VTAJLVVZJKRBDX-GUXCAODWSA-N 0 0 475.540 4.913 20 30 JJEDRN C[C@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001360498682 1065418136 /nfs/dbraw/zinc/41/81/36/1065418136.db2.gz VTAJLVVZJKRBDX-JXXFODFXSA-N 0 0 475.540 4.913 20 30 JJEDRN C#C[C@@H](NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)c1ccc(Br)cc1 ZINC001436651584 1065418208 /nfs/dbraw/zinc/41/82/08/1065418208.db2.gz QQDNHIWDSSEWGD-LJQANCHMSA-N 0 0 456.290 4.506 20 30 JJEDRN C#C[C@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(Br)cc1 ZINC001436651967 1065418339 /nfs/dbraw/zinc/41/83/39/1065418339.db2.gz VNQQBODVVBVGQK-QFIPXVFZSA-N 0 0 453.336 4.666 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Oc2cccc(OCC#N)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001436685011 1065422428 /nfs/dbraw/zinc/42/24/28/1065422428.db2.gz GJGTXEKXURKNDG-RTWAWAEBSA-N 0 0 456.926 4.798 20 30 JJEDRN CC(C)(C(=O)NC1CCN(Cc2cccc(Br)c2)CC1)c1cc(F)cc(C#N)c1 ZINC001436715683 1065428635 /nfs/dbraw/zinc/42/86/35/1065428635.db2.gz APYFCDKWCUNSHI-UHFFFAOYSA-N 0 0 458.375 4.518 20 30 JJEDRN C[C@@H](Cc1cccs1)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C ZINC001360503824 1065434093 /nfs/dbraw/zinc/43/40/93/1065434093.db2.gz OQFDTZSKOYHOLY-SFHVURJKSA-N 0 0 466.630 4.853 20 30 JJEDRN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001436845609 1065451384 /nfs/dbraw/zinc/45/13/84/1065451384.db2.gz GBMMKPBKMLGVAI-GCJKJVERSA-N 0 0 456.373 4.911 20 30 JJEDRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 ZINC001360513494 1065459907 /nfs/dbraw/zinc/45/99/07/1065459907.db2.gz AZYKWAJGUOWKQG-QGZVFWFLSA-N 0 0 474.556 4.555 20 30 JJEDRN COc1cc(C(=O)NCc2ccc(C#N)s2)ccc1OCc1ccc(Br)cc1 ZINC001436882729 1065464457 /nfs/dbraw/zinc/46/44/57/1065464457.db2.gz BSBZNPFCWWJYKU-UHFFFAOYSA-N 0 0 457.349 4.900 20 30 JJEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cc(Br)ccc3OC(F)(F)F)n2)c1 ZINC001436958093 1065481181 /nfs/dbraw/zinc/48/11/81/1065481181.db2.gz CNFNPOTXIVFEPC-UHFFFAOYSA-N 0 0 451.202 4.657 20 30 JJEDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cc1OC ZINC001436985610 1065487788 /nfs/dbraw/zinc/48/77/88/1065487788.db2.gz CCLMVCWOIGJEMN-CYBMUJFWSA-N 0 0 451.401 4.575 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)nnc1-c1ccco1 ZINC001437010234 1065494563 /nfs/dbraw/zinc/49/45/63/1065494563.db2.gz MOLPSFSFXHQTQQ-XMMPIXPASA-N 0 0 454.571 4.969 20 30 JJEDRN C[C@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@H]1CCCCO1)c1nccs1 ZINC001360520966 1065494778 /nfs/dbraw/zinc/49/47/78/1065494778.db2.gz OPQYDSPPWSUNEB-WIYYLYMNSA-N 0 0 450.612 4.862 20 30 JJEDRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001437040678 1065500904 /nfs/dbraw/zinc/50/09/04/1065500904.db2.gz JIPHFLALOQJOIG-KURKYZTESA-N 0 0 450.539 4.604 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](C)CC(F)F)c1 ZINC001437048247 1065502828 /nfs/dbraw/zinc/50/28/28/1065502828.db2.gz DMHROIKALVVRQV-OAHLLOKOSA-N 0 0 456.942 4.742 20 30 JJEDRN C[C@H](CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1)c1nccs1 ZINC001360529835 1065509848 /nfs/dbraw/zinc/50/98/48/1065509848.db2.gz MXBDZBSUCGYDRE-APWZRJJASA-N 0 0 497.625 4.559 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360533807 1065515077 /nfs/dbraw/zinc/51/50/77/1065515077.db2.gz BCGKKKHSIIWDQP-CVEARBPZSA-N 0 0 491.434 4.701 20 30 JJEDRN C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 ZINC001360536121 1065518558 /nfs/dbraw/zinc/51/85/58/1065518558.db2.gz UXXURYGSESNRQG-QGZVFWFLSA-N 0 0 467.415 4.980 20 30 JJEDRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC001437261436 1065526733 /nfs/dbraw/zinc/52/67/33/1065526733.db2.gz GKJMOZAYDUQPOW-JOCHJYFZSA-N 0 0 458.489 4.659 20 30 JJEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)ccc1F ZINC001360552349 1065543397 /nfs/dbraw/zinc/54/33/97/1065543397.db2.gz PZMDAKRXOIHKIJ-QGZVFWFLSA-N 0 0 454.523 4.682 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCCC(F)(F)C2)c1 ZINC001437382451 1065545996 /nfs/dbraw/zinc/54/59/96/1065545996.db2.gz JYQFCLXYEFUXFC-UHFFFAOYSA-N 0 0 454.926 4.593 20 30 JJEDRN O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC001437388772 1065546728 /nfs/dbraw/zinc/54/67/28/1065546728.db2.gz FEGDJEMBMDSWTF-UHFFFAOYSA-N 0 0 450.148 4.854 20 30 JJEDRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1)Oc1ccccc1 ZINC001360564336 1065554887 /nfs/dbraw/zinc/55/48/87/1065554887.db2.gz PECMTADSPQYONW-IFMALSPDSA-N 0 0 494.640 4.600 20 30 JJEDRN C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1)Oc1ccccc1 ZINC001360564338 1065555100 /nfs/dbraw/zinc/55/51/00/1065555100.db2.gz PECMTADSPQYONW-RBBKRZOGSA-N 0 0 494.640 4.600 20 30 JJEDRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@](C)(C#N)C1)c1nccs1 ZINC001360564364 1065555110 /nfs/dbraw/zinc/55/51/10/1065555110.db2.gz PJDHFZDMZZBFEG-MPCDZSKCSA-N 0 0 499.685 4.783 20 30 JJEDRN C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1)c1ccccc1 ZINC001360567951 1065559474 /nfs/dbraw/zinc/55/94/74/1065559474.db2.gz AHAFDXMFPBVUPA-REWPJTCUSA-N 0 0 494.640 4.520 20 30 JJEDRN O=C(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001437525533 1065567097 /nfs/dbraw/zinc/56/70/97/1065567097.db2.gz RNTOWRRSOXXJLS-LRDDRELGSA-N 0 0 454.386 4.640 20 30 JJEDRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccc(Cl)cc1 ZINC001360574772 1065570202 /nfs/dbraw/zinc/57/02/02/1065570202.db2.gz NCBIEKIYBOZJCE-HOYKHHGWSA-N 0 0 450.974 4.515 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC001437548555 1065571549 /nfs/dbraw/zinc/57/15/49/1065571549.db2.gz JJGYBAPGXDILPW-DHIUTWEWSA-N 0 0 463.553 4.904 20 30 JJEDRN Cc1ccc(-c2csc3ncn(CCC(=O)NC(C)(C)c4cccc(C#N)c4)c(=O)c23)cc1 ZINC001437607904 1065584846 /nfs/dbraw/zinc/58/48/46/1065584846.db2.gz KYSGKULKZUHWPX-UHFFFAOYSA-N 0 0 456.571 4.747 20 30 JJEDRN C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1nccs1 ZINC001360584551 1065584927 /nfs/dbraw/zinc/58/49/27/1065584927.db2.gz XVXPDEIUFYHKEK-RXVVDRJESA-N 0 0 480.638 4.773 20 30 JJEDRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N)Oc1ccccc1F ZINC001360590197 1065595116 /nfs/dbraw/zinc/59/51/16/1065595116.db2.gz FMJBEVBLOZFUGY-NSHGMRRFSA-N 0 0 486.592 4.695 20 30 JJEDRN N#Cc1ccc(CCC(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)cc1 ZINC001437714647 1065595228 /nfs/dbraw/zinc/59/52/28/1065595228.db2.gz JKVDDRDQKBJYRQ-UHFFFAOYSA-N 0 0 452.337 4.892 20 30 JJEDRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC(CCC(F)(F)F)CCC(F)(F)F ZINC001437755115 1065601478 /nfs/dbraw/zinc/60/14/78/1065601478.db2.gz YRCPBAUACZUSFY-UHFFFAOYSA-N 0 0 453.349 4.951 20 30 JJEDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C#N)c1ccccc1Br ZINC001437941393 1065633491 /nfs/dbraw/zinc/63/34/91/1065633491.db2.gz LDOINPSFQGYBSU-LJQANCHMSA-N 0 0 453.340 4.664 20 30 JJEDRN 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ZINC001360783985 1065897783 /nfs/dbraw/zinc/89/77/83/1065897783.db2.gz WKYIFUCDBPMVFN-HXUWFJFHSA-N 0 0 468.346 4.509 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccc(Br)n2)C1 ZINC001360784428 1065898531 /nfs/dbraw/zinc/89/85/31/1065898531.db2.gz FJJMSRCMPLATPH-JOCHJYFZSA-N 0 0 485.817 4.858 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C)CCC2)C1 ZINC001360784923 1065898561 /nfs/dbraw/zinc/89/85/61/1065898561.db2.gz MPPGUVFJRHIQHC-DFBJGRDBSA-N 0 0 456.635 4.713 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H]2C[C@H](F)C2)C1 ZINC001360784588 1065898616 /nfs/dbraw/zinc/89/86/16/1065898616.db2.gz HWEKTADSHMTRNY-AJGMTHFWSA-N 0 0 474.625 4.661 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2cccs2)C1 ZINC001360785471 1065899815 /nfs/dbraw/zinc/89/98/15/1065899815.db2.gz WIKKYXCPEGATEZ-DFBJGRDBSA-N 0 0 484.670 4.827 20 30 JJEDRN CC(C)(C)Oc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 ZINC001360787836 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CC1(C#N)CCN(c2nnc(COc3ccc(Br)cc3)n2CC2CC(F)(F)C2)CC1 ZINC001360792673 1065907148 /nfs/dbraw/zinc/90/71/48/1065907148.db2.gz YAEPEGQUUUOLBJ-UHFFFAOYSA-N 0 0 480.357 4.795 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2Cl)C1 ZINC001360792581 1065907195 /nfs/dbraw/zinc/90/71/95/1065907195.db2.gz VRACISXTVZMDNS-KDURUIRLSA-N 0 0 485.032 4.881 20 30 JJEDRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)c1 ZINC001360792762 1065907632 /nfs/dbraw/zinc/90/76/32/1065907632.db2.gz AICLXKYZZXLIJW-UHFFFAOYSA-N 0 0 450.491 4.563 20 30 JJEDRN C=CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)c(OC)c1 ZINC001440172673 1065920686 /nfs/dbraw/zinc/92/06/86/1065920686.db2.gz RLJNBQAQLKVIGF-UHFFFAOYSA-N 0 0 459.564 4.531 20 30 JJEDRN CC(C)(C)[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2(C)C)CCO1 ZINC001360832486 1065944329 /nfs/dbraw/zinc/94/43/29/1065944329.db2.gz LGCMBVBAGFGYCP-RXFWQSSRSA-N 0 0 483.682 4.902 20 30 JJEDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC001440516356 1065946315 /nfs/dbraw/zinc/94/63/15/1065946315.db2.gz DRXRLQZNSBAFJB-UHFFFAOYSA-N 0 0 458.461 4.805 20 30 JJEDRN Cc1c(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001545933454 1065948267 /nfs/dbraw/zinc/94/82/67/1065948267.db2.gz KNHNTWCDFFSFOM-QHCPKHFHSA-N 0 0 457.534 4.525 20 30 JJEDRN C=C(CCC(=O)OC)C(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC001440624602 1065955427 /nfs/dbraw/zinc/95/54/27/1065955427.db2.gz FHZFDGSIFFWHTD-UHFFFAOYSA-N 0 0 451.954 4.720 20 30 JJEDRN Cc1sc(C)c(Cn2c(CCOc3ccccc3)nnc2N(C)C[C@@H](C)C#N)c1Br ZINC001360850709 1065961592 /nfs/dbraw/zinc/96/15/92/1065961592.db2.gz NGEPMPUEMDEAQL-HNNXBMFYSA-N 0 0 488.455 4.985 20 30 JJEDRN Cc1sc(C)c(Cn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)c1Br ZINC001360850719 1065961622 /nfs/dbraw/zinc/96/16/22/1065961622.db2.gz NLGVZFSRVDDOPB-IBGZPJMESA-N 0 0 480.432 4.862 20 30 JJEDRN Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001440682385 1065965415 /nfs/dbraw/zinc/96/54/15/1065965415.db2.gz IMOGWMHSWAKSCR-QFIPXVFZSA-N 0 0 454.361 4.510 20 30 JJEDRN CCCCCCOc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1OC ZINC001440684605 1065966405 /nfs/dbraw/zinc/96/64/05/1065966405.db2.gz NYYFIJJOINNEFK-QHCPKHFHSA-N 0 0 453.558 4.816 20 30 JJEDRN CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001440685754 1065966494 /nfs/dbraw/zinc/96/64/94/1065966494.db2.gz QAFBMWQLXPBACN-HXUWFJFHSA-N 0 0 452.917 4.719 20 30 JJEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)/C(F)=C/c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001440687088 1065967012 /nfs/dbraw/zinc/96/70/12/1065967012.db2.gz ULCUFBZMIZIIHQ-CBXNMNPBSA-N 0 0 453.386 4.703 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC001440714553 1065970729 /nfs/dbraw/zinc/97/07/29/1065970729.db2.gz PFMBHRQZRIDBLQ-QFIPXVFZSA-N 0 0 456.633 4.934 20 30 JJEDRN N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)cc1 ZINC001440736845 1065973275 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C=CC1(CC(=O)N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001442155630 1066097954 /nfs/dbraw/zinc/09/79/54/1066097954.db2.gz TZTMOFTULJPYQF-QHCPKHFHSA-N 0 0 454.542 4.853 20 30 JJEDRN C=CCc1cc(C(=O)Nc2cc(F)c(F)cc2I)cc(OC)c1OC ZINC001360948882 1066103639 /nfs/dbraw/zinc/10/36/39/1066103639.db2.gz LJEVIYLLPKEDMW-UHFFFAOYSA-N 0 0 459.230 4.567 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(C)(C)SC)ccc1Cl ZINC001360951620 1066108636 /nfs/dbraw/zinc/10/86/36/1066108636.db2.gz DNULUIIDKAIZMA-UHFFFAOYSA-N 0 0 453.029 4.593 20 30 JJEDRN Cc1c(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H](C)C#N)oc2ccc(F)cc12 ZINC001360957808 1066114575 /nfs/dbraw/zinc/11/45/75/1066114575.db2.gz BQBHVVFTUYELGO-LBPRGKRZSA-N 0 0 471.334 4.874 20 30 JJEDRN Cc1ccoc1Cn1c(-c2cc(Br)cn2C)nnc1N(CCC#N)CCC(C)C ZINC001360958811 1066115666 /nfs/dbraw/zinc/11/56/66/1066115666.db2.gz UPMMGTHSZQPXLU-UHFFFAOYSA-N 0 0 459.392 4.762 20 30 JJEDRN Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360959451 1066116811 /nfs/dbraw/zinc/11/68/11/1066116811.db2.gz CMRCXCCHSFEYJY-IBGZPJMESA-N 0 0 476.650 4.612 20 30 JJEDRN Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCCNc2ncccc2C#N)cc1 ZINC001442333560 1066116911 /nfs/dbraw/zinc/11/69/11/1066116911.db2.gz DPHVXJYWZRCYIU-UHFFFAOYSA-N 0 0 456.937 4.610 20 30 JJEDRN Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)cnn1CC(C)C ZINC001360976849 1066133144 /nfs/dbraw/zinc/13/31/44/1066133144.db2.gz VYOKFPIKEAICCW-RDPSFJRHSA-N 0 0 475.641 4.953 20 30 JJEDRN Cc1ccsc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360978650 1066136813 /nfs/dbraw/zinc/13/68/13/1066136813.db2.gz BILJGOFODPTNEC-NXMSCROESA-N 0 0 470.643 4.597 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCc2nccn2C1 ZINC001360986701 1066154180 /nfs/dbraw/zinc/15/41/80/1066154180.db2.gz JZGLGEVSQKOEJM-DBVUQKKJSA-N 0 0 482.032 4.743 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCOC[C@@H]1C ZINC001360986852 1066155235 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/nfs/dbraw/zinc/17/20/42/1066172042.db2.gz PJUDOKVSAFGJJB-PKOBYXMFSA-N 0 0 472.014 4.721 20 30 JJEDRN C[C@H]1COCCN1c1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 ZINC001360996369 1066175136 /nfs/dbraw/zinc/17/51/36/1066175136.db2.gz IHZHQVUBJLHYMF-SFHVURJKSA-N 0 0 452.986 4.682 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)c(C)o1 ZINC001360997422 1066176148 /nfs/dbraw/zinc/17/61/48/1066176148.db2.gz HHKSNVFEANJGJH-WGURPXDASA-N 0 0 481.572 4.805 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H](C)CC#N)c(C)o1 ZINC001360997924 1066176813 /nfs/dbraw/zinc/17/68/13/1066176813.db2.gz QEERBHUAVBOZIV-WHEQGISXSA-N 0 0 490.377 4.703 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H](C)c2nccs2)c(C)o1 ZINC001360998093 1066177025 /nfs/dbraw/zinc/17/70/25/1066177025.db2.gz UKNZDHNJBHJMJC-LMKMVOKYSA-N 0 0 476.606 4.631 20 30 JJEDRN Cc1cccc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H](C)C#N)c1 ZINC001361004993 1066183499 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4.716 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCO[C@@H]2CCCC[C@H]2C)c1 ZINC001361028277 1066232609 /nfs/dbraw/zinc/23/26/09/1066232609.db2.gz XRAIJCOOUQQUEW-LFAGZIFBSA-N 0 0 455.578 4.511 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](CC2CC2)NC(=O)OC(C)(C)C)cc1 ZINC001442881790 1066237219 /nfs/dbraw/zinc/23/72/19/1066237219.db2.gz YUESSVZXAQPGTH-FQEVSTJZSA-N 0 0 451.523 4.991 20 30 JJEDRN CCOC(=O)N(C)C1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC001442939862 1066244498 /nfs/dbraw/zinc/24/44/98/1066244498.db2.gz POMPDJVTJIOFBN-UHFFFAOYSA-N 0 0 458.374 4.669 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N[C@H](C)c2nc3cc(Cl)ccc3[nH]2)nnc1-c1ccco1 ZINC001454212382 1066254943 /nfs/dbraw/zinc/25/49/43/1066254943.db2.gz BKYYHYKCRUBBKC-CYBMUJFWSA-N 0 0 456.959 4.613 20 30 JJEDRN C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001443043308 1066257532 /nfs/dbraw/zinc/25/75/32/1066257532.db2.gz BZBNZAUOAHRIHB-MRXNPFEDSA-N 0 0 453.514 4.718 20 30 JJEDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001443058935 1066260983 /nfs/dbraw/zinc/26/09/83/1066260983.db2.gz NGGIMZYFWNDUHS-IBGZPJMESA-N 0 0 454.977 4.518 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(C(=O)N(C)C)CCCC2)c(C)n1-c1ccccc1 ZINC001361045020 1066268604 /nfs/dbraw/zinc/26/86/04/1066268604.db2.gz LFJAIGDGIABIIP-HXUWFJFHSA-N 0 0 487.652 4.740 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC2CC2)c1 ZINC001361047538 1066276599 /nfs/dbraw/zinc/27/65/99/1066276599.db2.gz FENNROORMDCXQH-UHFFFAOYSA-N 0 0 453.391 4.905 20 30 JJEDRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC001443199859 1066278410 /nfs/dbraw/zinc/27/84/10/1066278410.db2.gz FNUBXVGSDWAXFB-UHFFFAOYSA-N 0 0 454.452 4.893 20 30 JJEDRN Cc1cc(-c2nnc(N(CCC#N)CCC(C)C)n2CC(C)(C)N2CCOCC2)c2ccccc2n1 ZINC001361049127 1066280260 /nfs/dbraw/zinc/28/02/60/1066280260.db2.gz UQPJGYUBQBWEBZ-UHFFFAOYSA-N 0 0 489.668 4.679 20 30 JJEDRN Cc1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCC(=O)NC(C)(C)C)c(C)n1-c1ccccc1 ZINC001361049073 1066280355 /nfs/dbraw/zinc/28/03/55/1066280355.db2.gz RPZSWZRDMDGCFW-UHFFFAOYSA-N 0 0 487.652 4.788 20 30 JJEDRN Cc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049412 1066281868 /nfs/dbraw/zinc/28/18/68/1066281868.db2.gz CODNGHIPDJEARZ-SANMLTNESA-N 0 0 493.587 4.501 20 30 JJEDRN Cc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN(C)CC(F)(F)F)c(C)n1-c1ccccc1 ZINC001361049712 1066283151 /nfs/dbraw/zinc/28/31/51/1066283151.db2.gz NJARTZBHWZIUOY-RUZDIDTESA-N 0 0 499.585 4.977 20 30 JJEDRN N#CCCN(C(=O)CCCCOc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC001443254264 1066285035 /nfs/dbraw/zinc/28/50/35/1066285035.db2.gz OQNNKBQSTLVXCF-UHFFFAOYSA-N 0 0 459.340 4.716 20 30 JJEDRN Cc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCCC(C)C)c(C)n1-c1ccccc1 ZINC001361050294 1066285229 /nfs/dbraw/zinc/28/52/29/1066285229.db2.gz WYKHPPVUIFKQPX-DEOSSOPVSA-N 0 0 476.625 4.534 20 30 JJEDRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC001545956380 1066288133 /nfs/dbraw/zinc/28/81/33/1066288133.db2.gz BLKHKTVUQWMOSG-NRFANRHFSA-N 0 0 495.425 4.636 20 30 JJEDRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC#N)Oc1cccc(F)c1 ZINC001545956962 1066294964 /nfs/dbraw/zinc/29/49/64/1066294964.db2.gz MFVFVNUGXQXTFY-PBHICJAKSA-N 0 0 475.366 4.771 20 30 JJEDRN N#C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)c1c(Cl)cccc1Cl ZINC001443353744 1066299234 /nfs/dbraw/zinc/29/92/34/1066299234.db2.gz CORATCVRQJEEDH-SNVBAGLBSA-N 0 0 451.933 4.841 20 30 JJEDRN Cc1csc(Nc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)cc2)n1 ZINC001443450666 1066312856 /nfs/dbraw/zinc/31/28/56/1066312856.db2.gz QRUBYTLBGYHFCT-HNNXBMFYSA-N 0 0 451.939 4.712 20 30 JJEDRN Cc1cc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@@](F)(C#N)C2)cs1 ZINC001361072219 1066312971 /nfs/dbraw/zinc/31/29/71/1066312971.db2.gz YRELWEHJXDYSRQ-LJQANCHMSA-N 0 0 464.339 4.707 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC001454663844 1066317859 /nfs/dbraw/zinc/31/78/59/1066317859.db2.gz YYXPOVOMTIBKOU-LJQANCHMSA-N 0 0 453.539 4.640 20 30 JJEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1 ZINC001443504209 1066320136 /nfs/dbraw/zinc/32/01/36/1066320136.db2.gz AVFHEEGWYYJHDY-RPBOFIJWSA-N 0 0 455.558 4.932 20 30 JJEDRN Cc1nc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CC[C@@](F)(C#N)C2)sc1C ZINC001361088043 1066328942 /nfs/dbraw/zinc/32/89/42/1066328942.db2.gz FKMBYABMBHYFKZ-HSZRJFAPSA-N 0 0 489.020 4.815 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC001443569378 1066329509 /nfs/dbraw/zinc/32/95/09/1066329509.db2.gz OVGKHGZZQOTWQL-ZDUSSCGKSA-N 0 0 458.462 4.721 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC001443569377 1066329562 /nfs/dbraw/zinc/32/95/62/1066329562.db2.gz OVGKHGZZQOTWQL-CYBMUJFWSA-N 0 0 458.462 4.721 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCO1 ZINC001361088328 1066330497 /nfs/dbraw/zinc/33/04/97/1066330497.db2.gz IFTQMKBGAKXHGS-HXUWFJFHSA-N 0 0 458.006 4.561 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001361088527 1066331710 /nfs/dbraw/zinc/33/17/10/1066331710.db2.gz IYLAKIDZEYRRQP-CTNGQTDRSA-N 0 0 472.033 4.664 20 30 JJEDRN CCCCCOc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 ZINC001454864384 1066336670 /nfs/dbraw/zinc/33/66/70/1066336670.db2.gz AOQGVMBMHQWJJF-UHFFFAOYSA-N 0 0 451.542 4.578 20 30 JJEDRN CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001443605208 1066336660 /nfs/dbraw/zinc/33/66/60/1066336660.db2.gz PKNKDWLERGDUJU-DHIUTWEWSA-N 0 0 450.583 4.915 20 30 JJEDRN C=CCOc1ccccc1CN(C(=O)c1cc(N2CCOCC2)ccn1)c1ccc(C)c(C)c1 ZINC001443635177 1066341494 /nfs/dbraw/zinc/34/14/94/1066341494.db2.gz UGGWNJRNAQYAAI-UHFFFAOYSA-N 0 0 457.574 4.947 20 30 JJEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC001443668788 1066346595 /nfs/dbraw/zinc/34/65/95/1066346595.db2.gz OSYDGHQTQFLEMO-GOSISDBHSA-N 0 0 458.356 4.826 20 30 JJEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCc3c2cccc3Cl)CC1 ZINC001443669455 1066346684 /nfs/dbraw/zinc/34/66/84/1066346684.db2.gz QBLQKSSRVBQKMF-FPOVZHCZSA-N 0 0 458.787 4.541 20 30 JJEDRN CC[C@H](C)[C@@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)c1ccccc1 ZINC001443671690 1066347368 /nfs/dbraw/zinc/34/73/68/1066347368.db2.gz UUTHAQOOBVDHQG-CDNPAEQRSA-N 0 0 454.412 4.988 20 30 JJEDRN Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001361097566 1066348247 /nfs/dbraw/zinc/34/82/47/1066348247.db2.gz CZCSJYAFMLTVOB-QHCPKHFHSA-N 0 0 493.656 4.513 20 30 JJEDRN O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001546067295 1066353457 /nfs/dbraw/zinc/35/34/57/1066353457.db2.gz LCYOZTLDIZUCSW-IPYPFGDCSA-N 0 0 450.358 4.595 20 30 JJEDRN C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(C)(C)O ZINC001455019857 1066354152 /nfs/dbraw/zinc/35/41/52/1066354152.db2.gz KALHUCDBOVRDQU-QHCPKHFHSA-N 0 0 450.579 4.526 20 30 JJEDRN C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(C)(C)O ZINC001455019851 1066354366 /nfs/dbraw/zinc/35/43/66/1066354366.db2.gz KALHUCDBOVRDQU-HSZRJFAPSA-N 0 0 450.579 4.526 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC001455102144 1066361007 /nfs/dbraw/zinc/36/10/07/1066361007.db2.gz MJQFPVYKZNPUGD-AREMUKBSSA-N 0 0 457.615 4.897 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1)OC ZINC001545961649 1066361829 /nfs/dbraw/zinc/36/18/29/1066361829.db2.gz ZVZHGYKADGSOHN-KURKYZTESA-N 0 0 486.439 4.938 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1)OC ZINC001545961650 1066361865 /nfs/dbraw/zinc/36/18/65/1066361865.db2.gz ZVZHGYKADGSOHN-SQNIBIBYSA-N 0 0 486.439 4.938 20 30 JJEDRN O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cnc2cccnn21 ZINC001546069068 1066364046 /nfs/dbraw/zinc/36/40/46/1066364046.db2.gz CNMMJJFMLCRUHI-ZDUSSCGKSA-N 0 0 456.268 4.800 20 30 JJEDRN Cc1ccn2cc(Cn3c(Cc4c(F)cccc4F)nnc3N(CCC#N)CCC(C)C)nc2c1 ZINC001361115549 1066367073 /nfs/dbraw/zinc/36/70/73/1066367073.db2.gz NZNMRJZWWMKDTG-UHFFFAOYSA-N 0 0 477.563 4.918 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1)NC(=O)OC(C)(C)C ZINC001545962365 1066368185 /nfs/dbraw/zinc/36/81/85/1066368185.db2.gz BHFIGZUCDYOKIV-RTWAWAEBSA-N 0 0 484.670 4.842 20 30 JJEDRN C[C@H](C#N)Oc1ccccc1NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001546069777 1066368478 /nfs/dbraw/zinc/36/84/78/1066368478.db2.gz VDWKFMAOHNFHDC-OAHLLOKOSA-N 0 0 456.568 4.801 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545962438 1066369630 /nfs/dbraw/zinc/36/96/30/1066369630.db2.gz CMJWUDWMEOEWBA-OALUTQOASA-N 0 0 492.546 4.899 20 30 JJEDRN O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001455203548 1066370156 /nfs/dbraw/zinc/37/01/56/1066370156.db2.gz YYVKCYIFBOBHFN-MRXNPFEDSA-N 0 0 457.367 4.777 20 30 JJEDRN C=C(C)C[C@@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1cccc(OC)c1OC)CC2 ZINC001455206978 1066370278 /nfs/dbraw/zinc/37/02/78/1066370278.db2.gz WJXQZXBIPDNBEN-PUWPPSGDSA-N 0 0 458.558 4.796 20 30 JJEDRN C=C(C)C[C@@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccc(OC)c1OC)CC2 ZINC001455206972 1066370386 /nfs/dbraw/zinc/37/03/86/1066370386.db2.gz WJXQZXBIPDNBEN-POLXVDLBSA-N 0 0 458.558 4.796 20 30 JJEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001455218365 1066371825 /nfs/dbraw/zinc/37/18/25/1066371825.db2.gz JNIZZVWNJPGJRL-KNQAVFIVSA-N 0 0 456.489 4.974 20 30 JJEDRN Cc1cc(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC001455244315 1066374782 /nfs/dbraw/zinc/37/47/82/1066374782.db2.gz GBMAFRZIZPOCKF-UHFFFAOYSA-N 0 0 453.296 4.567 20 30 JJEDRN CC(C)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c2ccccc2c1=O ZINC001361124761 1066378153 /nfs/dbraw/zinc/37/81/53/1066378153.db2.gz ITGZPJBDZNMWOR-UHFFFAOYSA-N 0 0 456.477 4.819 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@](C)(O)C(C)C)c1 ZINC001361125684 1066379134 /nfs/dbraw/zinc/37/91/34/1066379134.db2.gz ACIRLVPUSVGEQL-SANMLTNESA-N 0 0 453.631 4.826 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1 ZINC001455277410 1066379537 /nfs/dbraw/zinc/37/95/37/1066379537.db2.gz WDXWSQIHQZZPOR-GOSISDBHSA-N 0 0 453.624 4.532 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C#N)CC3)n2Cc2ccc(N(C)C)nc2)c1 ZINC001361125773 1066379689 /nfs/dbraw/zinc/37/96/89/1066379689.db2.gz DAAAEGNDTIRXES-UHFFFAOYSA-N 0 0 473.625 4.538 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001361125967 1066381112 /nfs/dbraw/zinc/38/11/12/1066381112.db2.gz IDRQIEOTQREVFG-ZBLYBZFDSA-N 0 0 465.642 4.970 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1)NC(=O)OC(C)(C)C ZINC001545963183 1066385360 /nfs/dbraw/zinc/38/53/60/1066385360.db2.gz RDAWNWPCRYZCNE-FQEVSTJZSA-N 0 0 452.603 4.746 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2OCC[C@H]2C)c1 ZINC001361127125 1066386744 /nfs/dbraw/zinc/38/67/44/1066386744.db2.gz FOEKNBUSFSXNEJ-ROSOWXQZSA-N 0 0 451.615 4.844 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361127519 1066388695 /nfs/dbraw/zinc/38/86/95/1066388695.db2.gz KUNJUMAPDXMOJR-FTJBHMTQSA-N 0 0 469.605 4.672 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2CCCCO2)c1 ZINC001361128341 1066391944 /nfs/dbraw/zinc/39/19/44/1066391944.db2.gz WSHNEYPXLAJNOJ-NLFFAJNJSA-N 0 0 455.578 4.690 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC2CCCC2)c1 ZINC001361129694 1066393394 /nfs/dbraw/zinc/39/33/94/1066393394.db2.gz BSJGQLQEEIPYDD-JOCHJYFZSA-N 0 0 451.615 4.988 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC2CCCC2)c1 ZINC001361129695 1066393596 /nfs/dbraw/zinc/39/35/96/1066393596.db2.gz BSJGQLQEEIPYDD-QFIPXVFZSA-N 0 0 451.615 4.988 20 30 JJEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Br)cc2C#N)c2ccccc2C1 ZINC001361129865 1066393774 /nfs/dbraw/zinc/39/37/74/1066393774.db2.gz GNFIBIWBQMRQHE-UHFFFAOYSA-N 0 0 456.340 4.718 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(C)C)c1 ZINC001361130461 1066395845 /nfs/dbraw/zinc/39/58/45/1066395845.db2.gz NGDMMWISMLYFEW-QFIPXVFZSA-N 0 0 450.631 4.512 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCN(C(=O)CNc2ccc(C#N)cc2)C1)C1CCCC1 ZINC001455508816 1066400808 /nfs/dbraw/zinc/40/08/08/1066400808.db2.gz HEQUTUWEDHHISP-OFNKIYASSA-N 0 0 454.615 4.682 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001455534090 1066406664 /nfs/dbraw/zinc/40/66/64/1066406664.db2.gz DLZBQTPSOBQQSQ-OSWQYVSFSA-N 0 0 465.635 4.532 20 30 JJEDRN C#CCN(C(=O)c1cc(Cl)c(Cl)cc1N)[C@H]1CCOc2ccc(Br)cc21 ZINC001444119955 1066408561 /nfs/dbraw/zinc/40/85/61/1066408561.db2.gz IJCQYJFFWYLATP-KRWDZBQOSA-N 0 0 454.151 4.937 20 30 JJEDRN C#CCN(C(=O)C[C@@H](C)N1CCc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 ZINC001444126392 1066410315 /nfs/dbraw/zinc/41/03/15/1066410315.db2.gz WDRNKVVTMTXESF-VGOFRKELSA-N 0 0 453.380 4.576 20 30 JJEDRN Cc1ccc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C#N ZINC001455561431 1066410983 /nfs/dbraw/zinc/41/09/83/1066410983.db2.gz KZRJWVBXIGZNDT-UHFFFAOYSA-N 0 0 453.542 4.800 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(CCC#N)CC3CC3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361149404 1066439450 /nfs/dbraw/zinc/43/94/50/1066439450.db2.gz UJCHLHDUVJSBDG-NHCUHLMSSA-N 0 0 451.615 4.808 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(CCC#N)CC3CC3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361149405 1066439523 /nfs/dbraw/zinc/43/95/23/1066439523.db2.gz UJCHLHDUVJSBDG-SFTDATJTSA-N 0 0 451.615 4.808 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001455876968 1066444623 /nfs/dbraw/zinc/44/46/23/1066444623.db2.gz KAPQZTDSFNBXNH-HUUCEWRRSA-N 0 0 453.486 4.609 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)CSC ZINC001444316324 1066446532 /nfs/dbraw/zinc/44/65/32/1066446532.db2.gz BNIVIXZLUNGFKD-AOMKIAJQSA-N 0 0 459.011 4.904 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCOCC(F)(F)C(F)F)c1 ZINC001361153187 1066448661 /nfs/dbraw/zinc/44/86/61/1066448661.db2.gz WJFNAPGCVDYDHX-UHFFFAOYSA-N 0 0 483.510 4.521 20 30 JJEDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC001455910364 1066450045 /nfs/dbraw/zinc/45/00/45/1066450045.db2.gz ZYZQNBRTXQMWFZ-DYESRHJHSA-N 0 0 451.592 4.836 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOC2CCCCCC2)c1 ZINC001361154494 1066451060 /nfs/dbraw/zinc/45/10/60/1066451060.db2.gz AUCCSQQJYPOUPP-RUZDIDTESA-N 0 0 455.578 4.655 20 30 JJEDRN Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2n1 ZINC001455932506 1066453857 /nfs/dbraw/zinc/45/38/57/1066453857.db2.gz NTVAVSGVZARMSS-UHFFFAOYSA-N 0 0 451.408 4.760 20 30 JJEDRN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[C@@H]1c1cccc(C)c1 ZINC001455933978 1066454344 /nfs/dbraw/zinc/45/43/44/1066454344.db2.gz PYJYSCHYLPKZHR-VPUSJEBWSA-N 0 0 453.542 4.994 20 30 JJEDRN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)Nc1ccc(CCC#N)cc1 ZINC001455937848 1066456424 /nfs/dbraw/zinc/45/64/24/1066456424.db2.gz FHBJOUQXDBEPGV-FQEVSTJZSA-N 0 0 457.372 4.512 20 30 JJEDRN CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)Nc1ccc(CCC#N)cc1 ZINC001455937853 1066456433 /nfs/dbraw/zinc/45/64/33/1066456433.db2.gz FHBJOUQXDBEPGV-HXUWFJFHSA-N 0 0 457.372 4.512 20 30 JJEDRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@](C)(C#N)C2)cs1 ZINC001361156427 1066458929 /nfs/dbraw/zinc/45/89/29/1066458929.db2.gz VGCWLYSMXJIWBZ-XMMPIXPASA-N 0 0 450.612 4.612 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)c1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001455953806 1066459457 /nfs/dbraw/zinc/45/94/57/1066459457.db2.gz MSYQUFHDDAVULP-QGZVFWFLSA-N 0 0 458.374 4.906 20 30 JJEDRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cccc(SCC#N)c4)cc32)c1 ZINC001455965829 1066462489 /nfs/dbraw/zinc/46/24/89/1066462489.db2.gz OEXGPEGIBUVLSE-UHFFFAOYSA-N 0 0 457.555 4.695 20 30 JJEDRN C=CCOc1ccc(C(=O)N(CC)C2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OC ZINC001444489602 1066466843 /nfs/dbraw/zinc/46/68/43/1066466843.db2.gz ZPPZTFBEYLAAQZ-UHFFFAOYSA-N 0 0 452.599 4.613 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@H]2C)ccc1Cl ZINC001444613589 1066482810 /nfs/dbraw/zinc/48/28/10/1066482810.db2.gz HOLKKUUVCBHGHK-HZPDHXFCSA-N 0 0 450.963 4.731 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCN(C)CC(F)(F)F)cc1Br ZINC001361170645 1066485881 /nfs/dbraw/zinc/48/58/81/1066485881.db2.gz PJVNCJURSPOWNV-HNNXBMFYSA-N 0 0 487.368 4.639 20 30 JJEDRN C=CC[C@]1(C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C ZINC001444671060 1066491485 /nfs/dbraw/zinc/49/14/85/1066491485.db2.gz VZFROMIERFMNIH-XMMPIXPASA-N 0 0 453.624 4.532 20 30 JJEDRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC001444699244 1066494639 /nfs/dbraw/zinc/49/46/39/1066494639.db2.gz ZMEOLVZNXJWSMB-QFIPXVFZSA-N 0 0 454.412 4.935 20 30 JJEDRN Cc1cc(CC(C)(C)C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)ccc1Br ZINC001456067554 1066500742 /nfs/dbraw/zinc/50/07/42/1066500742.db2.gz XLYZOZRZROTLOM-IBGZPJMESA-N 0 0 455.400 4.696 20 30 JJEDRN Cn1cc(C(=O)Nc2ccc(OC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2)cn1 ZINC001456072737 1066503138 /nfs/dbraw/zinc/50/31/38/1066503138.db2.gz GRITWJCOOPMYMQ-UHFFFAOYSA-N 0 0 454.511 4.914 20 30 JJEDRN CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(C)ccc3n2-c2ccc(C)cc2)c1 ZINC001444815846 1066508703 /nfs/dbraw/zinc/50/87/03/1066508703.db2.gz QVHPJWAFEQMXLB-UHFFFAOYSA-N 0 0 457.555 4.692 20 30 JJEDRN Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2Cc2cccc(OCC(F)(F)F)c2)o1 ZINC001361191076 1066517279 /nfs/dbraw/zinc/51/72/79/1066517279.db2.gz FSCHFUNWIJWVHF-UHFFFAOYSA-N 0 0 459.472 4.966 20 30 JJEDRN COc1cccc(C[C@@H](O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1 ZINC001444935394 1066519309 /nfs/dbraw/zinc/51/93/09/1066519309.db2.gz NRBNHQRQYMVBFU-OAQYLSRUSA-N 0 0 456.420 4.920 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H](C#N)C1CCCCC1)Cc1cc(F)c(F)cc1F ZINC001444943080 1066520391 /nfs/dbraw/zinc/52/03/91/1066520391.db2.gz DVUFSUMDHUBCNU-OXQOHEQNSA-N 0 0 453.505 4.518 20 30 JJEDRN C#CCOc1ccc(F)cc1NC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC001445025350 1066530429 /nfs/dbraw/zinc/53/04/29/1066530429.db2.gz BETJFEPOJSYBKK-YRNVUSSQSA-N 0 0 450.466 4.682 20 30 JJEDRN C=CC[C@@]1(C(=O)NCCc2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C ZINC001456193972 1066534258 /nfs/dbraw/zinc/53/42/58/1066534258.db2.gz NCVNYLVXUIKBMW-NRFANRHFSA-N 0 0 455.368 4.593 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccncc2Cl)cc1Br ZINC001361205804 1066537982 /nfs/dbraw/zinc/53/79/82/1066537982.db2.gz SXMLYHGYSQKTQE-FQEVSTJZSA-N 0 0 475.753 4.555 20 30 JJEDRN Cc1ccc(-n2nc(CCCNC(=O)c3cc(Cl)cc4ccc(C)nc43)c(C#N)c2N)cc1 ZINC001445147920 1066540802 /nfs/dbraw/zinc/54/08/02/1066540802.db2.gz BLBHGQHJURBBLU-UHFFFAOYSA-N 0 0 458.953 4.507 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCC[C@H]2C)cc1Br ZINC001361211792 1066545585 /nfs/dbraw/zinc/54/55/85/1066545585.db2.gz AKFLJCLEMCVWAO-NLSFWIRASA-N 0 0 472.431 4.697 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361212157 1066546886 /nfs/dbraw/zinc/54/68/86/1066546886.db2.gz IDSJWPNSMWJHPR-KBMIEXCESA-N 0 0 468.602 4.624 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCn2cc(Cl)cn2)cc1Br ZINC001361212464 1066546912 /nfs/dbraw/zinc/54/69/12/1066546912.db2.gz MKPYITFSCXFQKM-OAQYLSRUSA-N 0 0 488.821 4.696 20 30 JJEDRN O=C(N1CC[C@H](C(F)(F)F)C1)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001456274106 1066552757 /nfs/dbraw/zinc/55/27/57/1066552757.db2.gz ALPQLVQHXNGZGE-QMMMGPOBSA-N 0 0 456.127 4.850 20 30 JJEDRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC001456274387 1066552864 /nfs/dbraw/zinc/55/28/64/1066552864.db2.gz KEHDVYUDWOGGNM-FQEVSTJZSA-N 0 0 454.452 4.519 20 30 JJEDRN CC1(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001456282595 1066555329 /nfs/dbraw/zinc/55/53/29/1066555329.db2.gz NAJQNQBZNGBDME-OAQYLSRUSA-N 0 0 454.977 4.742 20 30 JJEDRN CC1(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001456282565 1066555336 /nfs/dbraw/zinc/55/53/36/1066555336.db2.gz NAJQNQBZNGBDME-NRFANRHFSA-N 0 0 454.977 4.742 20 30 JJEDRN CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001445305217 1066555963 /nfs/dbraw/zinc/55/59/63/1066555963.db2.gz RAQGSTFXDQMONW-HSZRJFAPSA-N 0 0 459.912 4.980 20 30 JJEDRN CCCCCCCC[C@@H](C)CC(=O)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001456289712 1066556226 /nfs/dbraw/zinc/55/62/26/1066556226.db2.gz IYHCIMXDVWUSEL-WOJBJXKFSA-N 0 0 452.636 4.632 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)C2(Cc3ccccc3Br)CC2)ccc1OC ZINC001456296016 1066557308 /nfs/dbraw/zinc/55/73/08/1066557308.db2.gz WXYKGIWMSCXCAO-GOSISDBHSA-N 0 0 457.368 4.778 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1OC ZINC001456302223 1066558498 /nfs/dbraw/zinc/55/84/98/1066558498.db2.gz IYLHKXHEZJJQPR-QHCPKHFHSA-N 0 0 455.514 4.757 20 30 JJEDRN O=C(CCOCC(F)(F)C(F)F)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001456363130 1066571631 /nfs/dbraw/zinc/57/16/31/1066571631.db2.gz VWVJGGZFRLYDSV-UHFFFAOYSA-N 0 0 454.342 4.816 20 30 JJEDRN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)c1 ZINC001361239120 1066580879 /nfs/dbraw/zinc/58/08/79/1066580879.db2.gz XEOAUHXSDGIJPB-ZWKOTPCHSA-N 0 0 478.312 4.792 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC001456447703 1066589121 /nfs/dbraw/zinc/58/91/21/1066589121.db2.gz HVHALYZQDRRDCH-UHFFFAOYSA-N 0 0 451.832 4.946 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)s1 ZINC001361249822 1066594602 /nfs/dbraw/zinc/59/46/02/1066594602.db2.gz GVCWYICSEHFMGI-UHFFFAOYSA-N 0 0 457.357 4.555 20 30 JJEDRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001456480571 1066594595 /nfs/dbraw/zinc/59/45/95/1066594595.db2.gz AYNBSPVIJYAUMJ-HXUWFJFHSA-N 0 0 451.014 4.551 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCSc2nccs2)o1 ZINC001361250072 1066596092 /nfs/dbraw/zinc/59/60/92/1066596092.db2.gz PYBCGTTUQXKCRY-UHFFFAOYSA-N 0 0 450.593 4.994 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2Cc2ccc(C#N)o2)o1 ZINC001361250478 1066596774 /nfs/dbraw/zinc/59/67/74/1066596774.db2.gz XOWBIIFLCRJCQR-UHFFFAOYSA-N 0 0 470.302 4.898 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N(CCC)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC001445638701 1066596904 /nfs/dbraw/zinc/59/69/04/1066596904.db2.gz LHTCAAXUDBKQCS-ZRDIBKRKSA-N 0 0 458.599 4.911 20 30 JJEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(I)c(Cl)c2)c1 ZINC001456496163 1066599958 /nfs/dbraw/zinc/59/99/58/1066599958.db2.gz PPXYZZLPZSMFDK-AWEZNQCLSA-N 0 0 454.695 4.556 20 30 JJEDRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c2ccc(Cl)cc2)c1 ZINC001361258203 1066607481 /nfs/dbraw/zinc/60/74/81/1066607481.db2.gz UHOZLNJHRJMOAV-RBZQAINGSA-N 0 0 464.974 4.624 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(O)c2)c1 ZINC001445718370 1066610348 /nfs/dbraw/zinc/61/03/48/1066610348.db2.gz XPQIDOGVVKZBRG-UHFFFAOYSA-N 0 0 456.951 4.988 20 30 JJEDRN N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)n2)c1 ZINC001445864472 1066627845 /nfs/dbraw/zinc/62/78/45/1066627845.db2.gz NOGFFBPCIABJKC-UHFFFAOYSA-N 0 0 455.499 4.938 20 30 JJEDRN Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001361273390 1066629570 /nfs/dbraw/zinc/62/95/70/1066629570.db2.gz ZCIKMIZXUXTJMH-IBGZPJMESA-N 0 0 478.622 4.586 20 30 JJEDRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445916647 1066635073 /nfs/dbraw/zinc/63/50/73/1066635073.db2.gz FWBPJWUQSPXZSK-ZDUSSCGKSA-N 0 0 453.354 4.633 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](CC)Cc1ccccc1Br ZINC001445991770 1066642578 /nfs/dbraw/zinc/64/25/78/1066642578.db2.gz PIZQJLBGVRKTPJ-GOSISDBHSA-N 0 0 454.368 4.951 20 30 JJEDRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC001446021157 1066647276 /nfs/dbraw/zinc/64/72/76/1066647276.db2.gz HEOLYLNVXAOIAI-UHFFFAOYSA-N 0 0 450.539 4.651 20 30 JJEDRN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC001446026026 1066647327 /nfs/dbraw/zinc/64/73/27/1066647327.db2.gz STGAXZULGRIYER-UHFFFAOYSA-N 0 0 454.324 4.589 20 30 JJEDRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)c1 ZINC001446089491 1066658178 /nfs/dbraw/zinc/65/81/78/1066658178.db2.gz YDPAAFKLFYDXEH-FQEVSTJZSA-N 0 0 457.530 4.624 20 30 JJEDRN COc1ccc(-c2noc(CCCC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)n2)cc1 ZINC001456656156 1066660698 /nfs/dbraw/zinc/66/06/98/1066660698.db2.gz BIQSMTQHEOOQRM-UHFFFAOYSA-N 0 0 458.543 4.984 20 30 JJEDRN CSc1nc(C2CC2)cc(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)c1C#N ZINC001446244135 1066678717 /nfs/dbraw/zinc/67/87/17/1066678717.db2.gz MLSCDDUOUBJNIE-UHFFFAOYSA-N 0 0 458.628 4.662 20 30 JJEDRN COc1cccc(Oc2ncccc2CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC001456767930 1066684031 /nfs/dbraw/zinc/68/40/31/1066684031.db2.gz PBEWGBDEPKTJQT-UHFFFAOYSA-N 0 0 455.470 4.856 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1C ZINC001456793187 1066691756 /nfs/dbraw/zinc/69/17/56/1066691756.db2.gz YGBIAMHZKOQVKY-JOCHJYFZSA-N 0 0 459.550 4.955 20 30 JJEDRN Cc1cnn(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@H](C)CC#N)c1 ZINC001492624329 1066696271 /nfs/dbraw/zinc/69/62/71/1066696271.db2.gz SGBKAUAPTOMQKL-RTBURBONSA-N 0 0 455.994 4.632 20 30 JJEDRN Cc1cnn(CCn2c(-c3ccccc3Br)nnc2N(CCC#N)CCC(C)C)c1 ZINC001492627242 1066698004 /nfs/dbraw/zinc/69/80/04/1066698004.db2.gz REMQBUDCCFBJTR-UHFFFAOYSA-N 0 0 470.419 4.679 20 30 JJEDRN C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(F)n1 ZINC001446504041 1066711701 /nfs/dbraw/zinc/71/17/01/1066711701.db2.gz KHCZIDONEAGMSG-XMMPIXPASA-N 0 0 459.521 4.710 20 30 JJEDRN C=CCC[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)c1ccccc1 ZINC001446507457 1066712300 /nfs/dbraw/zinc/71/23/00/1066712300.db2.gz VCKYDZNIYLLKQT-RTWAWAEBSA-N 0 0 453.587 4.678 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)s1 ZINC001492632882 1066712505 /nfs/dbraw/zinc/71/25/05/1066712505.db2.gz PDCILMKKYADKOP-CRAIPNDOSA-N 0 0 472.565 4.779 20 30 JJEDRN C=CC[S@](=O)(=NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)c1ccccc1 ZINC001456900634 1066717395 /nfs/dbraw/zinc/71/73/95/1066717395.db2.gz ZVLAHMUPAZDRRB-JGCGQSQUSA-N 0 0 453.608 4.881 20 30 JJEDRN N#CC1(C(=O)Nc2nc3cc(Br)ccc3n2Cc2ccccc2)CCSCC1 ZINC001456902204 1066718000 /nfs/dbraw/zinc/71/80/00/1066718000.db2.gz GHCHUJLKYJNBCW-UHFFFAOYSA-N 0 0 455.381 4.823 20 30 JJEDRN C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)NCC)ccc1C)c1ccc(C(F)(F)F)cc1 ZINC001446573532 1066722791 /nfs/dbraw/zinc/72/27/91/1066722791.db2.gz XIFJZGBJLNJPPG-HXUWFJFHSA-N 0 0 454.514 4.749 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)n1 ZINC001492638905 1066727627 /nfs/dbraw/zinc/72/76/27/1066727627.db2.gz LDPRRGPEYRPDRV-OAHLLOKOSA-N 0 0 472.565 4.779 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N2CCCN(C)c3ccc(Cl)cc32)nnc1-c1ccco1 ZINC001456950199 1066728081 /nfs/dbraw/zinc/72/80/81/1066728081.db2.gz JJBLGWHUAIDADG-UHFFFAOYSA-N 0 0 457.987 4.733 20 30 JJEDRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC001446659606 1066730323 /nfs/dbraw/zinc/73/03/23/1066730323.db2.gz XLZTWNYLNBSWGA-RUZDIDTESA-N 0 0 453.608 4.859 20 30 JJEDRN N#Cc1ccc(-n2ccc(NC(=O)Cn3c4ccccc4nc3SC(F)F)n2)c(Cl)c1 ZINC001446677838 1066730827 /nfs/dbraw/zinc/73/08/27/1066730827.db2.gz NSSFSWUPJUWSDO-UHFFFAOYSA-N 0 0 458.881 4.700 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)n1 ZINC001492640427 1066731307 /nfs/dbraw/zinc/73/13/07/1066731307.db2.gz ZEPLLIGCZVRYQM-QAPCUYQASA-N 0 0 472.565 4.779 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1F ZINC001457007864 1066740653 /nfs/dbraw/zinc/74/06/53/1066740653.db2.gz IUFJOWNJSQMYOX-UHFFFAOYSA-N 0 0 450.857 4.925 20 30 JJEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(Cl)cc(Br)c2N)n1 ZINC001446799928 1066741753 /nfs/dbraw/zinc/74/17/53/1066741753.db2.gz ZDKZIHOZHVCEDM-UHFFFAOYSA-N 0 0 451.111 4.648 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)c3cn(CCCC#N)c4ccccc34)CC2)CC1 ZINC001457034831 1066749441 /nfs/dbraw/zinc/74/94/41/1066749441.db2.gz POKOOYPYNDUHSH-UHFFFAOYSA-N 0 0 450.583 4.855 20 30 JJEDRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N2CCSC[C@H]2C#N)s1 ZINC001446970417 1066760289 /nfs/dbraw/zinc/76/02/89/1066760289.db2.gz HCAAAFSAFYVDBI-QGZVFWFLSA-N 0 0 450.589 4.572 20 30 JJEDRN Cc1cscc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001492653761 1066762394 /nfs/dbraw/zinc/76/23/94/1066762394.db2.gz GMSYXCRSKHRCSN-HXUWFJFHSA-N 0 0 459.417 4.594 20 30 JJEDRN Cc1nc(C)c(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)s1 ZINC001492655708 1066767262 /nfs/dbraw/zinc/76/72/62/1066767262.db2.gz XGUYTBZOMGDFOZ-NRFANRHFSA-N 0 0 464.639 4.917 20 30 JJEDRN Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)s1 ZINC001492656580 1066768879 /nfs/dbraw/zinc/76/88/79/1066768879.db2.gz CRZKCKMZGKHJSP-AREMUKBSSA-N 0 0 494.665 4.686 20 30 JJEDRN Cc1nc(C)c(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)s1 ZINC001492656997 1066770025 /nfs/dbraw/zinc/77/00/25/1066770025.db2.gz LJOOMDHYOFGXTL-NRFANRHFSA-N 0 0 477.034 4.982 20 30 JJEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC001457135913 1066770084 /nfs/dbraw/zinc/77/00/84/1066770084.db2.gz FDBOIAAAPCAJRP-ZEQRLZLVSA-N 0 0 457.640 4.622 20 30 JJEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC001457135892 1066770207 /nfs/dbraw/zinc/77/02/07/1066770207.db2.gz FDBOIAAAPCAJRP-BJKOFHAPSA-N 0 0 457.640 4.622 20 30 JJEDRN Cc1nc(C)c(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)s1 ZINC001492657753 1066771482 /nfs/dbraw/zinc/77/14/82/1066771482.db2.gz ZBSUTHAWHMQHHP-OAQYLSRUSA-N 0 0 495.411 4.922 20 30 JJEDRN Cc1ccc(CSc2nc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)n[nH]2)cc1 ZINC001457165429 1066777375 /nfs/dbraw/zinc/77/73/75/1066777375.db2.gz JWYFGJWBNOWDJN-UHFFFAOYSA-N 0 0 455.547 4.537 20 30 JJEDRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc2C1 ZINC001447177926 1066780836 /nfs/dbraw/zinc/78/08/36/1066780836.db2.gz VGHQRLXNESOUOS-UHFFFAOYSA-N 0 0 459.546 4.617 20 30 JJEDRN N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CCO2)c1 ZINC001447223159 1066783413 /nfs/dbraw/zinc/78/34/13/1066783413.db2.gz QEWMVCPVQZNQMW-NRFANRHFSA-N 0 0 453.420 4.978 20 30 JJEDRN C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457212217 1066791747 /nfs/dbraw/zinc/79/17/47/1066791747.db2.gz ZYJJXVDWNFCLKY-LAUBAEHRSA-N 0 0 450.539 4.511 20 30 JJEDRN C=CCc1ccc(OCC(=O)N2CCOc3cc(Br)c(Cl)cc32)c(OC)c1 ZINC001457220376 1066792989 /nfs/dbraw/zinc/79/29/89/1066792989.db2.gz ASVPXRGMTRCZFM-UHFFFAOYSA-N 0 0 452.732 4.644 20 30 JJEDRN Cc1nc(CCC(=O)Nc2nn(C(C)(C)C)cc2C#N)oc1-c1ccc(Br)cc1 ZINC001457246538 1066797631 /nfs/dbraw/zinc/79/76/31/1066797631.db2.gz KQKQURKOGLNVDY-UHFFFAOYSA-N 0 0 456.344 4.807 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)cc21 ZINC001457269143 1066800696 /nfs/dbraw/zinc/80/06/96/1066800696.db2.gz VILWHQHGEIZYPS-GOSISDBHSA-N 0 0 451.571 4.707 20 30 JJEDRN Cc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(C)n1-c1cccc(Br)c1 ZINC001447476412 1066813491 /nfs/dbraw/zinc/81/34/91/1066813491.db2.gz LYTDFNHQFJBIHW-UHFFFAOYSA-N 0 0 450.336 4.632 20 30 JJEDRN O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cccn2cc(C(F)(F)F)nc12 ZINC001447525203 1066818488 /nfs/dbraw/zinc/81/84/88/1066818488.db2.gz OXJJBUZLPYVMSR-CYBMUJFWSA-N 0 0 453.289 4.988 20 30 JJEDRN C=CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)OCC ZINC001447550779 1066820946 /nfs/dbraw/zinc/82/09/46/1066820946.db2.gz MDZSNCSOJGFLBZ-DEOSSOPVSA-N 0 0 458.514 4.969 20 30 JJEDRN N#Cc1ccccc1OCC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447570503 1066823785 /nfs/dbraw/zinc/82/37/85/1066823785.db2.gz DRXPGYQPWISGOL-JOCHJYFZSA-N 0 0 454.448 4.718 20 30 JJEDRN CC(C)(C#N)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001447578759 1066824803 /nfs/dbraw/zinc/82/48/03/1066824803.db2.gz UVKIBZJJSHXBAV-VWLOTQADSA-N 0 0 453.542 4.932 20 30 JJEDRN C=CCn1c(SCC(=O)N2C[C@@H](C)Oc3ccc(C)cc32)nnc1-c1ccc(Cl)cc1 ZINC001457420457 1066827439 /nfs/dbraw/zinc/82/74/39/1066827439.db2.gz CVEWRJBOBMBNII-MRXNPFEDSA-N 0 0 454.983 4.999 20 30 JJEDRN O=C(Cc1cccs1)Nc1nc(CC(=O)Nc2ccccc2C#Cc2ccccc2)cs1 ZINC001457492328 1066842266 /nfs/dbraw/zinc/84/22/66/1066842266.db2.gz QAVBZMYNKOJAKO-UHFFFAOYSA-N 0 0 457.580 4.967 20 30 JJEDRN CC[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457538809 1066855187 /nfs/dbraw/zinc/85/51/87/1066855187.db2.gz IPDSIOYEWJDNAW-SVBPBHIXSA-N 0 0 455.558 4.760 20 30 JJEDRN Cc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(C)n1-c1ccc(C#N)cc1 ZINC001447793272 1066859063 /nfs/dbraw/zinc/85/90/63/1066859063.db2.gz PJGROZXWPSFONT-UHFFFAOYSA-N 0 0 451.530 4.801 20 30 JJEDRN Cc1nccn1-c1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)cn1 ZINC001492703732 1066861695 /nfs/dbraw/zinc/86/16/95/1066861695.db2.gz FLPRBEKMACYJGK-HNNXBMFYSA-N 0 0 481.391 4.785 20 30 JJEDRN COCc1[nH]nc(NC(=O)Cc2ccc(Br)cc2C#N)c1-c1ccc(Cl)cc1 ZINC001457574066 1066868529 /nfs/dbraw/zinc/86/85/29/1066868529.db2.gz LUOFZSZNSUQFNL-UHFFFAOYSA-N 0 0 459.731 4.692 20 30 JJEDRN CCCc1c(NC(=O)c2ccccc2I)cnn1-c1cccc(C#N)c1 ZINC001447959938 1066883217 /nfs/dbraw/zinc/88/32/17/1066883217.db2.gz LTZQHVIQXPRAFH-UHFFFAOYSA-N 0 0 456.287 4.553 20 30 JJEDRN CCCc1c(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)cnn1-c1cccc(C#N)c1 ZINC001447962119 1066883936 /nfs/dbraw/zinc/88/39/36/1066883936.db2.gz OQSMLMVQXODQKI-IBGZPJMESA-N 0 0 453.587 4.964 20 30 JJEDRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1csc(C(C)(C)C)n1 ZINC001492718245 1066886567 /nfs/dbraw/zinc/88/65/67/1066886567.db2.gz YBIXOTKMRQDCLT-UHFFFAOYSA-N 0 0 488.665 4.800 20 30 JJEDRN CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC001448023462 1066891478 /nfs/dbraw/zinc/89/14/78/1066891478.db2.gz VHKXJUPCYNAJGB-IBGZPJMESA-N 0 0 451.368 4.639 20 30 JJEDRN COc1cc(C#N)cc(Br)c1OC(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001457666718 1066893899 /nfs/dbraw/zinc/89/38/99/1066893899.db2.gz WSUAWZHMAMOMRB-UHFFFAOYSA-N 0 0 459.683 4.970 20 30 JJEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC001457682479 1066896593 /nfs/dbraw/zinc/89/65/93/1066896593.db2.gz FMMZPAFVUUZQJE-LJQANCHMSA-N 0 0 450.358 4.773 20 30 JJEDRN Cc1cc(C)n(-c2ccc(Cn3c([C@H](C)Oc4cccc(C)c4C)nnc3N(C)C[C@@H](C)C#N)cn2)n1 ZINC001492728065 1066897705 /nfs/dbraw/zinc/89/77/05/1066897705.db2.gz RLBNWHXMYJWENX-MBSDFSHPSA-N 0 0 498.635 4.877 20 30 JJEDRN C[C@@](C#N)(CCc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001457723042 1066904648 /nfs/dbraw/zinc/90/46/48/1066904648.db2.gz GNUAIRMSWGBSRR-DEOSSOPVSA-N 0 0 457.496 4.589 20 30 JJEDRN N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC001448167682 1066906046 /nfs/dbraw/zinc/90/60/46/1066906046.db2.gz RLVVLZIOKALIOY-LJQANCHMSA-N 0 0 454.445 4.509 20 30 JJEDRN C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CSC1(C)C ZINC001448200249 1066909302 /nfs/dbraw/zinc/90/93/02/1066909302.db2.gz NLTWPAVVNNMDRA-PKTZIBPZSA-N 0 0 450.604 4.870 20 30 JJEDRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1cccc(C#N)c1 ZINC001457754750 1066912769 /nfs/dbraw/zinc/91/27/69/1066912769.db2.gz KOLJQGYSRYVKDY-INIZCTEOSA-N 0 0 454.935 4.955 20 30 JJEDRN CNc1ccc(C#N)cc1NC(=O)CCN(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001448349637 1066918500 /nfs/dbraw/zinc/91/85/00/1066918500.db2.gz DTXMMVKBHMMBQF-UHFFFAOYSA-N 0 0 454.530 4.809 20 30 JJEDRN Cc1cc(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC001448401558 1066923223 /nfs/dbraw/zinc/92/32/23/1066923223.db2.gz MMXXFWLVZSTQMA-NRFANRHFSA-N 0 0 450.583 4.733 20 30 JJEDRN CCN(CC)c1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NCC#CCO)cc1 ZINC001448439102 1066927566 /nfs/dbraw/zinc/92/75/66/1066927566.db2.gz PMJTTZJEKPMZTF-XDOYNYLZSA-N 0 0 453.586 4.683 20 30 JJEDRN COC(=O)COc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c2cccnc12 ZINC001457830325 1066929757 /nfs/dbraw/zinc/92/97/57/1066929757.db2.gz FGKWZTJFGWAIJE-UHFFFAOYSA-N 0 0 453.454 4.703 20 30 JJEDRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(F)(F)F)CC2)n1 ZINC001492759063 1066930510 /nfs/dbraw/zinc/93/05/10/1066930510.db2.gz VFYAEDVRBDAPMS-UHFFFAOYSA-N 0 0 471.531 4.889 20 30 JJEDRN C=CCOC[C@H](NC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)C(=O)OC ZINC001448493423 1066933203 /nfs/dbraw/zinc/93/32/03/1066933203.db2.gz ICMDLGIKVWAMQS-HKUYNNGSSA-N 0 0 454.375 4.687 20 30 JJEDRN C=CC[C@]1(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CCCN1C(=O)OC(C)(C)C ZINC001457879368 1066934820 /nfs/dbraw/zinc/93/48/20/1066934820.db2.gz UJHUMGNSQFXDJN-VOIUYBSRSA-N 0 0 458.534 4.707 20 30 JJEDRN Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC001492762436 1066935326 /nfs/dbraw/zinc/93/53/26/1066935326.db2.gz RJTNVOSGBDBHSV-XXBNENTESA-N 0 0 461.614 4.647 20 30 JJEDRN Cc1nnc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CC#N)CC2)s1 ZINC001492767866 1066941294 /nfs/dbraw/zinc/94/12/94/1066941294.db2.gz FHHLWUYTAOQMTL-UHFFFAOYSA-N 0 0 462.410 4.785 20 30 JJEDRN CCCCCCn1nc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c2ccccc2c1=O ZINC001457933324 1066942860 /nfs/dbraw/zinc/94/28/60/1066942860.db2.gz IPWKPJPNPDOMGT-UHFFFAOYSA-N 0 0 455.374 4.540 20 30 JJEDRN Cn1c(Cc2cccs2)nc2cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)ccc21 ZINC001457934652 1066943348 /nfs/dbraw/zinc/94/33/48/1066943348.db2.gz OYHALCXHBXZXMI-UHFFFAOYSA-N 0 0 453.383 4.788 20 30 JJEDRN Cc1nnc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC001492772433 1066944849 /nfs/dbraw/zinc/94/48/49/1066944849.db2.gz AKBVLEFLHZRBPE-UHFFFAOYSA-N 0 0 494.440 4.537 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)CCCC[C@H]12 ZINC001457948471 1066945849 /nfs/dbraw/zinc/94/58/49/1066945849.db2.gz JFIAMNCLTSPQOS-XHDPSFHLSA-N 0 0 450.395 4.505 20 30 JJEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)C1=O ZINC001448748859 1066955700 /nfs/dbraw/zinc/95/57/00/1066955700.db2.gz JXWPTWYAYUWMJV-QHCPKHFHSA-N 0 0 458.946 4.843 20 30 JJEDRN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(O)CCCC)c1 ZINC001458010114 1066956170 /nfs/dbraw/zinc/95/61/70/1066956170.db2.gz IJRJQJGWBPXUAU-UHFFFAOYSA-N 0 0 456.486 4.718 20 30 JJEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)o1 ZINC001458011750 1066956736 /nfs/dbraw/zinc/95/67/36/1066956736.db2.gz MYNRJTSFBRNXKP-UHFFFAOYSA-N 0 0 451.482 4.913 20 30 JJEDRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N(O)Cc1cccc2ccccc21 ZINC001458014815 1066957165 /nfs/dbraw/zinc/95/71/65/1066957165.db2.gz AFTNXGXKCYGWBB-LJQANCHMSA-N 0 0 452.576 4.743 20 30 JJEDRN C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448828171 1066960297 /nfs/dbraw/zinc/96/02/97/1066960297.db2.gz KTEXEJZBKIWWHA-HNAYVOBHSA-N 0 0 457.024 4.839 20 30 JJEDRN CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C ZINC001546010302 1066967499 /nfs/dbraw/zinc/96/74/99/1066967499.db2.gz JQILBYVPHNAKMP-JIPXPUAJSA-N 0 0 496.656 4.907 20 30 JJEDRN N#Cc1cnnc(Sc2nc3ccccc3c(=O)n2CCc2ccc(Cl)cc2Cl)c1 ZINC001458088287 1066971020 /nfs/dbraw/zinc/97/10/20/1066971020.db2.gz BEJLLIHJHOODIO-UHFFFAOYSA-N 0 0 454.342 4.759 20 30 JJEDRN C#CC[C@@H](NC(=O)c1cc(I)ccc1Br)c1ccccc1 ZINC001458089080 1066971413 /nfs/dbraw/zinc/97/14/13/1066971413.db2.gz NVVFJATZWRYZJL-MRXNPFEDSA-N 0 0 454.105 4.548 20 30 JJEDRN COc1cc(-c2noc(CCC(=O)N[C@H](CCC#N)c3ccccc3)n2)cc(Cl)c1OC ZINC001458148430 1066988434 /nfs/dbraw/zinc/98/84/34/1066988434.db2.gz QJGNDUQFMISGBV-GOSISDBHSA-N 0 0 454.914 4.501 20 30 JJEDRN CC[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C)(C#N)CC1)NC(=O)OC(C)(C)C ZINC001546012485 1066993455 /nfs/dbraw/zinc/99/34/55/1066993455.db2.gz JIGUAIXWJYNQOH-FQEVSTJZSA-N 0 0 482.629 4.599 20 30 JJEDRN C=CCC[C@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC001458177549 1066997946 /nfs/dbraw/zinc/99/79/46/1066997946.db2.gz WCCHSNBCFYGUIH-INIZCTEOSA-N 0 0 454.395 4.847 20 30 JJEDRN N#Cc1c(Cl)nsc1N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001458183920 1066999435 /nfs/dbraw/zinc/99/94/35/1066999435.db2.gz CEIXKOKNBBQFMR-ZDUSSCGKSA-N 0 0 450.749 4.746 20 30 JJEDRN C[C@@]1(c2ccccc2)CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC001449332196 1067000617 /nfs/dbraw/zinc/00/06/17/1067000617.db2.gz GFOKFVXDHASGHE-AREMUKBSSA-N 0 0 457.534 4.956 20 30 JJEDRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)c1 ZINC001458221407 1067006506 /nfs/dbraw/zinc/00/65/06/1067006506.db2.gz VTJXEMVKCJQYJB-SFHVURJKSA-N 0 0 450.516 4.614 20 30 JJEDRN N#Cc1ccc(-n2ccc(NC(=O)CCCCCNC(=O)NC3CCCCC3)n2)c(Cl)c1 ZINC001458222934 1067006731 /nfs/dbraw/zinc/00/67/31/1067006731.db2.gz MNBVAMHOWDKERN-UHFFFAOYSA-N 0 0 456.978 4.528 20 30 JJEDRN CS(=O)(=O)c1cccc([C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c2ccccc2)c1 ZINC001458235483 1067009261 /nfs/dbraw/zinc/00/92/61/1067009261.db2.gz ZOZOZTMQURHZID-DEOSSOPVSA-N 0 0 458.499 4.620 20 30 JJEDRN N#Cc1c(C#N)c2c(nc1NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)CCCCCC2 ZINC001458256167 1067013856 /nfs/dbraw/zinc/01/38/56/1067013856.db2.gz AVOKJLCHROBCAC-QGZVFWFLSA-N 0 0 458.484 4.646 20 30 JJEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cnnn2-c2cccc(Cl)c2Cl)n1 ZINC001458256027 1067013920 /nfs/dbraw/zinc/01/39/20/1067013920.db2.gz WATVRSHESGEBQB-UHFFFAOYSA-N 0 0 458.696 4.537 20 30 JJEDRN COC(=O)C[C@@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1cccc(Br)c1 ZINC001458256589 1067014353 /nfs/dbraw/zinc/01/43/53/1067014353.db2.gz ZDCHJVSJFRVUSV-QGZVFWFLSA-N 0 0 457.349 4.878 20 30 JJEDRN CC[C@@H](c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1csc(COC)n1)c1ccccc1 ZINC001545746586 1067015018 /nfs/dbraw/zinc/01/50/18/1067015018.db2.gz RFNDZGWEOAXPPJ-HYBUGGRVSA-N 0 0 450.612 4.601 20 30 JJEDRN C=CCONC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 ZINC001449651644 1067018940 /nfs/dbraw/zinc/01/89/40/1067018940.db2.gz DIMDQXYUBMXKNM-UHFFFAOYSA-N 0 0 456.951 4.583 20 30 JJEDRN N#CCc1ccc(COC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)cc1 ZINC001458306979 1067025775 /nfs/dbraw/zinc/02/57/75/1067025775.db2.gz RHZATEMMHFLHEF-UHFFFAOYSA-N 0 0 450.336 4.937 20 30 JJEDRN Cc1cc(Br)cn2cc(CCNc3ccc(C#N)c(Br)c3F)nc12 ZINC001458311637 1067026924 /nfs/dbraw/zinc/02/69/24/1067026924.db2.gz STCKVZWKWUSCOF-UHFFFAOYSA-N 0 0 452.125 4.833 20 30 JJEDRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001458313945 1067027467 /nfs/dbraw/zinc/02/74/67/1067027467.db2.gz FVKBTWHSDNBMNX-ZBFHGGJFSA-N 0 0 452.301 4.896 20 30 JJEDRN COc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)cc(OC)c1Br ZINC001458315205 1067028295 /nfs/dbraw/zinc/02/82/95/1067028295.db2.gz MBFLXYBOWDJTAZ-UHFFFAOYSA-N 0 0 457.280 4.762 20 30 JJEDRN CC[C@@H](c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545757221 1067035398 /nfs/dbraw/zinc/03/53/98/1067035398.db2.gz VUZASWOKQAYKMY-ZLNRFVROSA-N 0 0 466.699 4.774 20 30 JJEDRN CC[C@@H](c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC=C(C)C)c1ccccc1 ZINC001545757265 1067035426 /nfs/dbraw/zinc/03/54/26/1067035426.db2.gz WKMYLUCKRWWTRR-FYYLOGMGSA-N 0 0 470.625 4.553 20 30 JJEDRN CC[C@@H](c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545757220 1067035444 /nfs/dbraw/zinc/03/54/44/1067035444.db2.gz VUZASWOKQAYKMY-YTFSRNRJSA-N 0 0 466.699 4.774 20 30 JJEDRN CC[C@H](c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC=C(C)C)c1ccccc1 ZINC001545757266 1067035499 /nfs/dbraw/zinc/03/54/99/1067035499.db2.gz WKMYLUCKRWWTRR-GGAORHGYSA-N 0 0 470.625 4.553 20 30 JJEDRN C=CC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C ZINC001458342040 1067035968 /nfs/dbraw/zinc/03/59/68/1067035968.db2.gz QDCYXAPMNDAUGH-MWTRTKDXSA-N 0 0 451.970 4.520 20 30 JJEDRN C=C(C)CCNC(=O)[C@H](Cc1ccncc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449953692 1067038673 /nfs/dbraw/zinc/03/86/73/1067038673.db2.gz PRMHNYPGYUBNJI-SANMLTNESA-N 0 0 455.558 4.614 20 30 JJEDRN N#Cc1cc(N2CCC[C@@H](Nc3cccc(Br)c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001458356944 1067041448 /nfs/dbraw/zinc/04/14/48/1067041448.db2.gz VTGSBOXUNBTVJE-QGZVFWFLSA-N 0 0 452.312 4.858 20 30 JJEDRN N#Cc1c(C#N)c(N2CCN(c3cccc(Br)c3)CC2)nc2c1CCCCCC2 ZINC001458370367 1067044098 /nfs/dbraw/zinc/04/40/98/1067044098.db2.gz FZZILXGGCGUPHR-UHFFFAOYSA-N 0 0 450.384 4.573 20 30 JJEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)cc1C ZINC001450203209 1067060343 /nfs/dbraw/zinc/06/03/43/1067060343.db2.gz URKMEVQWNIVXGJ-LJQANCHMSA-N 0 0 453.587 4.504 20 30 JJEDRN Cc1cc(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC001546100694 1067061069 /nfs/dbraw/zinc/06/10/69/1067061069.db2.gz GUMBLQKJTOSTIM-AREMUKBSSA-N 0 0 450.583 4.733 20 30 JJEDRN CC(C)(C)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(C#N)s1 ZINC001458450127 1067064536 /nfs/dbraw/zinc/06/45/36/1067064536.db2.gz CALVKOICFGPIGZ-UHFFFAOYSA-N 0 0 452.001 4.607 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C ZINC001545774375 1067066411 /nfs/dbraw/zinc/06/64/11/1067066411.db2.gz NBBGKXKAACDFIP-QFIPXVFZSA-N 0 0 491.999 4.519 20 30 JJEDRN C#C[C@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1ccc(Br)cc1 ZINC001450276594 1067068471 /nfs/dbraw/zinc/06/84/71/1067068471.db2.gz SWDUGWVZHDUTOE-HNNXBMFYSA-N 0 0 450.105 4.936 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545776168 1067070651 /nfs/dbraw/zinc/07/06/51/1067070651.db2.gz YBIWGQYEJSHUAG-SANMLTNESA-N 0 0 494.640 4.517 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545776167 1067070886 /nfs/dbraw/zinc/07/08/86/1067070886.db2.gz YBIWGQYEJSHUAG-AREMUKBSSA-N 0 0 494.640 4.517 20 30 JJEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC001450448380 1067081159 /nfs/dbraw/zinc/08/11/59/1067081159.db2.gz YPMQDZLPXKFXAX-SQJMNOBHSA-N 0 0 450.897 4.944 20 30 JJEDRN Cc1c(C(=O)N[C@@]2(C#N)CC2(C)C)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001450540384 1067088104 /nfs/dbraw/zinc/08/81/04/1067088104.db2.gz LFJKGDFAGMHGDE-HSZRJFAPSA-N 0 0 452.605 4.624 20 30 JJEDRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C ZINC001545791500 1067089310 /nfs/dbraw/zinc/08/93/10/1067089310.db2.gz USNRRBZMQOTZER-HSZRJFAPSA-N 0 0 462.614 4.536 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)C2 ZINC001458606372 1067093346 /nfs/dbraw/zinc/09/33/46/1067093346.db2.gz LMYUHEKLEWEJEM-DEOSSOPVSA-N 0 0 451.527 4.632 20 30 JJEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 ZINC001458617690 1067096575 /nfs/dbraw/zinc/09/65/75/1067096575.db2.gz CNADYBZKAYEQMX-UXHICEINSA-N 0 0 455.505 4.571 20 30 JJEDRN COc1cccc([C@H](C#N)NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c1OC ZINC001458618663 1067096898 /nfs/dbraw/zinc/09/68/98/1067096898.db2.gz FJABEIMNUMWVHY-KRWDZBQOSA-N 0 0 457.502 4.764 20 30 JJEDRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC001458622441 1067097394 /nfs/dbraw/zinc/09/73/94/1067097394.db2.gz IOTGAQGYQVQMAC-MBSDFSHPSA-N 0 0 453.608 4.542 20 30 JJEDRN Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)CCCC2)cc1 ZINC001458624094 1067098049 /nfs/dbraw/zinc/09/80/49/1067098049.db2.gz LZHMHRWZAAFOCG-LJQANCHMSA-N 0 0 451.375 4.769 20 30 JJEDRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001450670750 1067101389 /nfs/dbraw/zinc/10/13/89/1067101389.db2.gz KIAQSDJGPOWMIE-QHCPKHFHSA-N 0 0 456.502 4.731 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545798656 1067101847 /nfs/dbraw/zinc/10/18/47/1067101847.db2.gz OVKNIKQHWLDGEA-XZOQPEGZSA-N 0 0 496.656 4.761 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545798655 1067101949 /nfs/dbraw/zinc/10/19/49/1067101949.db2.gz OVKNIKQHWLDGEA-PKTZIBPZSA-N 0 0 496.656 4.761 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC ZINC001545798972 1067102964 /nfs/dbraw/zinc/10/29/64/1067102964.db2.gz UVLCUXQFQVNGFB-XMMPIXPASA-N 0 0 491.615 4.519 20 30 JJEDRN CCC(CC)[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC ZINC001545800520 1067107450 /nfs/dbraw/zinc/10/74/50/1067107450.db2.gz HWWRVCHLXZCQIL-ISJGIBHGSA-N 0 0 481.641 4.811 20 30 JJEDRN CN(C)C(=O)c1cc(F)ccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001458679713 1067107611 /nfs/dbraw/zinc/10/76/11/1067107611.db2.gz GOTLBVKSLBNCTG-UHFFFAOYSA-N 0 0 452.326 4.583 20 30 JJEDRN CCOc1c(Cl)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1Cl ZINC001458681172 1067108128 /nfs/dbraw/zinc/10/81/28/1067108128.db2.gz AXVRPMBSZGIRNB-GFCCVEGCSA-N 0 0 452.725 4.909 20 30 JJEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cc1csc2ccc(Br)cc12 ZINC001458682448 1067108192 /nfs/dbraw/zinc/10/81/92/1067108192.db2.gz JYTLIVNRFJXZAF-UHFFFAOYSA-N 0 0 452.337 4.606 20 30 JJEDRN CC(C)(CCC#N)CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001450760026 1067117490 /nfs/dbraw/zinc/11/74/90/1067117490.db2.gz NQKPQOWEHDHUQG-UHFFFAOYSA-N 0 0 453.486 4.566 20 30 JJEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O ZINC001458729299 1067120900 /nfs/dbraw/zinc/12/09/00/1067120900.db2.gz FKIDKHXPGWIMEC-VWLOTQADSA-N 0 0 459.889 4.654 20 30 JJEDRN CCOc1ccc(-n2c(COc3ccc(Cl)cc3C)nnc2SC[C@H](O)CC#N)cc1 ZINC001458729865 1067121565 /nfs/dbraw/zinc/12/15/65/1067121565.db2.gz NGIFEGLCJNUQMU-GOSISDBHSA-N 0 0 458.971 4.574 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001458734143 1067124723 /nfs/dbraw/zinc/12/47/23/1067124723.db2.gz NNILMADIXVDCTR-YLFCFFPRSA-N 0 0 459.681 4.754 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C3CC3)CC2)c1 ZINC001450814191 1067125003 /nfs/dbraw/zinc/12/50/03/1067125003.db2.gz POTYYYZBUARNRE-UHFFFAOYSA-N 0 0 459.011 4.984 20 30 JJEDRN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001458744079 1067129682 /nfs/dbraw/zinc/12/96/82/1067129682.db2.gz DDHIMQBMFZPGDO-CYBMUJFWSA-N 0 0 454.987 4.601 20 30 JJEDRN CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C ZINC001458752705 1067131655 /nfs/dbraw/zinc/13/16/55/1067131655.db2.gz MATMBMVEGFEVRI-NVXWUHKLSA-N 0 0 459.685 4.795 20 30 JJEDRN C=CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccccc1OC ZINC001458772022 1067138518 /nfs/dbraw/zinc/13/85/18/1067138518.db2.gz HQNQAJIJWIOTOQ-IBGZPJMESA-N 0 0 458.946 4.830 20 30 JJEDRN Cc1sc2nc(SC[C@H](O)CC#N)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 ZINC001458788345 1067147204 /nfs/dbraw/zinc/14/72/04/1067147204.db2.gz XLFAGTZUMKCZOI-GOSISDBHSA-N 0 0 451.548 4.928 20 30 JJEDRN C=CCn1c(SC[C@H]2CCNC(=O)CC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC001458788085 1067147397 /nfs/dbraw/zinc/14/73/97/1067147397.db2.gz WTOORMBXCFIEAW-OAHLLOKOSA-N 0 0 457.596 4.767 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3Cl)CC2=O)cc1 ZINC001458795811 1067150041 /nfs/dbraw/zinc/15/00/41/1067150041.db2.gz FAJKPXSCWCLMOD-NSHDSACASA-N 0 0 453.123 4.619 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)NCc2ccccc2C)nc2sc3c(c2c1=O)CCCC3 ZINC001458817739 1067154284 /nfs/dbraw/zinc/15/42/84/1067154284.db2.gz JXNHRKDTHBDRSW-MRXNPFEDSA-N 0 0 453.633 4.628 20 30 JJEDRN C=CCn1c(S[C@@H](C)C(=O)C(C)(C)C(=O)OC)nc2scc(-c3ccccc3)c2c1=O ZINC001458818869 1067154819 /nfs/dbraw/zinc/15/48/19/1067154819.db2.gz OLWWHSDWHJRWFP-AWEZNQCLSA-N 0 0 456.589 4.560 20 30 JJEDRN C=CCn1c(S[C@H](Cc2c(F)cccc2F)C(C)=O)nnc1[C@@H]1COc2ccccc2O1 ZINC001458825413 1067158532 /nfs/dbraw/zinc/15/85/32/1067158532.db2.gz HPEIQAOVSDGQLL-LEWJYISDSA-N 0 0 457.502 4.547 20 30 JJEDRN C=CCn1c(SCc2cccc(C(=O)OC)c2Cl)nnc1[C@@H]1COc2ccccc2O1 ZINC001458827124 1067159693 /nfs/dbraw/zinc/15/96/93/1067159693.db2.gz MCRHFBZRUHGZIF-SFHVURJKSA-N 0 0 457.939 4.709 20 30 JJEDRN CC(=O)N1CCc2c(sc(NC(=O)c3cccc(CC#N)c3)c2C(=O)c2ccc(C)cc2)C1 ZINC001458834135 1067162814 /nfs/dbraw/zinc/16/28/14/1067162814.db2.gz GWUAAAZRRFXSKD-UHFFFAOYSA-N 0 0 457.555 4.511 20 30 JJEDRN CCC#C[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCN(CC)C3 ZINC001458857528 1067175030 /nfs/dbraw/zinc/17/50/30/1067175030.db2.gz ABBMMSGMGVSPIJ-MRXNPFEDSA-N 0 0 453.633 4.728 20 30 JJEDRN N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1 ZINC001451656441 1067183678 /nfs/dbraw/zinc/18/36/78/1067183678.db2.gz LTSAUPKGKJKFFL-INIZCTEOSA-N 0 0 453.873 4.855 20 30 JJEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001458878051 1067183706 /nfs/dbraw/zinc/18/37/06/1067183706.db2.gz LVHJHWPZPISRTN-UHFFFAOYSA-N 0 0 459.289 4.725 20 30 JJEDRN COc1ccccc1C(=O)NCC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 ZINC001451656967 1067183841 /nfs/dbraw/zinc/18/38/41/1067183841.db2.gz NRYBXQHFLWUPAS-UHFFFAOYSA-N 0 0 451.935 4.740 20 30 JJEDRN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1 ZINC001458881921 1067185508 /nfs/dbraw/zinc/18/55/08/1067185508.db2.gz XJXMZNKJSCURAY-GOSISDBHSA-N 0 0 451.592 4.690 20 30 JJEDRN C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)c1C ZINC001458885014 1067186143 /nfs/dbraw/zinc/18/61/43/1067186143.db2.gz TVXGPGAPCQUDJE-UHFFFAOYSA-N 0 0 459.571 4.974 20 30 JJEDRN Cc1cc(C(F)(F)F)c(C#N)c(SCc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)n1 ZINC001458893711 1067188480 /nfs/dbraw/zinc/18/84/80/1067188480.db2.gz LDGKXJXPYKFULD-UHFFFAOYSA-N 0 0 453.467 4.631 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cscc1C(F)(F)F ZINC001545836360 1067188841 /nfs/dbraw/zinc/18/88/41/1067188841.db2.gz KOPYDVJFQNTFPX-UHFFFAOYSA-N 0 0 490.555 4.833 20 30 JJEDRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C#N)s1 ZINC001451735868 1067189773 /nfs/dbraw/zinc/18/97/73/1067189773.db2.gz CMJUEESFUIIOIP-DEOSSOPVSA-N 0 0 459.571 4.799 20 30 JJEDRN CC(C)[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)ONC(=O)OC(C)(C)C ZINC001451801096 1067191999 /nfs/dbraw/zinc/19/19/99/1067191999.db2.gz NLFYAZNSUPVOND-HXUWFJFHSA-N 0 0 455.580 4.920 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)Nc1nc2c(s1)CCC2(C)C ZINC001451803652 1067192662 /nfs/dbraw/zinc/19/26/62/1067192662.db2.gz HHCMGXYGHSQZKC-SFHVURJKSA-N 0 0 452.580 4.712 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451969285 1067201106 /nfs/dbraw/zinc/20/11/06/1067201106.db2.gz GFYKEFQCGAEGJP-JLSDUUJJSA-N 0 0 453.505 4.885 20 30 JJEDRN N#Cc1cn(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c2ccc(Br)cc2c1=O ZINC001458936977 1067202916 /nfs/dbraw/zinc/20/29/16/1067202916.db2.gz UBIHDRCHUQDHMG-UHFFFAOYSA-N 0 0 453.079 4.899 20 30 JJEDRN Cc1cccc(N(CCC#N)C(=O)CSc2ncnc3c2cnn3Cc2ccccc2)c1C ZINC001458977580 1067215783 /nfs/dbraw/zinc/21/57/83/1067215783.db2.gz JQFOFPWZEJHNES-UHFFFAOYSA-N 0 0 456.575 4.530 20 30 JJEDRN C=CCOc1ccccc1CN(C(=O)CSCC(=O)C(C)(C)C)c1ccc2c(c1)OCO2 ZINC001458983638 1067218579 /nfs/dbraw/zinc/21/85/79/1067218579.db2.gz YSUIIYVYWDORQQ-UHFFFAOYSA-N 0 0 455.576 4.862 20 30 JJEDRN C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(C(=O)OC)ccc3C)o2)cc1 ZINC001458986710 1067220690 /nfs/dbraw/zinc/22/06/90/1067220690.db2.gz FVWJEJNJOSWNIP-OAHLLOKOSA-N 0 0 453.520 4.516 20 30 JJEDRN COc1ccc(Br)c(CN(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 ZINC001458989009 1067221716 /nfs/dbraw/zinc/22/17/16/1067221716.db2.gz KVACCKUUMVAJCO-UHFFFAOYSA-N 0 0 455.308 4.774 20 30 JJEDRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CCC(C#N)(c2ccccc2)c2ccccc2)C1=O ZINC001458990922 1067222084 /nfs/dbraw/zinc/22/20/84/1067222084.db2.gz BACNFXLRSVMYRT-MHZLTWQESA-N 0 0 453.542 4.671 20 30 JJEDRN C=CCN(C(=O)c1c(C)c(C)sc1Br)[C@H](Cc1ccccc1)C(=O)OCC ZINC001458997239 1067224840 /nfs/dbraw/zinc/22/48/40/1067224840.db2.gz KOFBGSUDMKVKQK-QGZVFWFLSA-N 0 0 450.398 4.930 20 30 JJEDRN C=CCN(C(=O)c1c(F)ccc(Br)c1F)[C@H](Cc1ccccc1)C(=O)OCC ZINC001459003815 1067227684 /nfs/dbraw/zinc/22/76/84/1067227684.db2.gz ZYEAKDBQLYNZLN-QGZVFWFLSA-N 0 0 452.295 4.530 20 30 JJEDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459017308 1067229765 /nfs/dbraw/zinc/22/97/65/1067229765.db2.gz ZASGAZVLSPNDOO-CQSZACIVSA-N 0 0 454.298 4.941 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC001452523632 1067231037 /nfs/dbraw/zinc/23/10/37/1067231037.db2.gz YVAFUGZBCUFWJQ-NHCUHLMSSA-N 0 0 457.958 4.947 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2cc(-c3ccccc3)[nH]n2)nnc1-c1ccc(Cl)cc1 ZINC001452524725 1067231530 /nfs/dbraw/zinc/23/15/30/1067231530.db2.gz JWLDAGLBHWIAEA-UHFFFAOYSA-N 0 0 450.955 4.905 20 30 JJEDRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001459032280 1067234399 /nfs/dbraw/zinc/23/43/99/1067234399.db2.gz ISSGAPSHUYSIQS-AWEZNQCLSA-N 0 0 455.308 4.992 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC001452688109 1067243881 /nfs/dbraw/zinc/24/38/81/1067243881.db2.gz VHTKZBNGHKWMQS-YPAWHYETSA-N 0 0 455.599 4.555 20 30 JJEDRN CN(C)Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Br ZINC001459078032 1067246960 /nfs/dbraw/zinc/24/69/60/1067246960.db2.gz UWVZFSISVFIDSR-UHFFFAOYSA-N 0 0 454.324 4.807 20 30 JJEDRN Cc1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)nn1-c1cccc(C(F)(F)F)c1 ZINC001452762871 1067249533 /nfs/dbraw/zinc/24/95/33/1067249533.db2.gz JCCFINRUKRIJAW-UHFFFAOYSA-N 0 0 455.440 4.819 20 30 JJEDRN C=CCn1c(SCC(=O)N2C[C@H](C)Oc3c(F)cccc32)nnc1-c1ccc(Cl)cc1 ZINC001459118315 1067254556 /nfs/dbraw/zinc/25/45/56/1067254556.db2.gz GLQWRTYILWAEBG-AWEZNQCLSA-N 0 0 458.946 4.830 20 30 JJEDRN CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(Br)cn2)C1 ZINC001546106260 1067262031 /nfs/dbraw/zinc/26/20/31/1067262031.db2.gz OVVPSRLSDXMKSP-UHFFFAOYSA-N 0 0 482.430 4.883 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(C)(C#N)CC2)O1 ZINC001546046128 1067264639 /nfs/dbraw/zinc/26/46/39/1067264639.db2.gz XAKSECNSCZSDMD-HFZDXXHNSA-N 0 0 464.614 4.625 20 30 JJEDRN CC[C@@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(C)(C#N)CC2)O1 ZINC001546046129 1067264704 /nfs/dbraw/zinc/26/47/04/1067264704.db2.gz XAKSECNSCZSDMD-LVXARBLLSA-N 0 0 464.614 4.625 20 30 JJEDRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001459178662 1067266580 /nfs/dbraw/zinc/26/65/80/1067266580.db2.gz OZEUMMSVJGSAHQ-RTBURBONSA-N 0 0 458.375 4.766 20 30 JJEDRN CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001452948917 1067266729 /nfs/dbraw/zinc/26/67/29/1067266729.db2.gz WBEVKQVJMKJNRM-JOCHJYFZSA-N 0 0 458.905 4.734 20 30 JJEDRN C=C(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)c(F)c1 ZINC001459181570 1067266957 /nfs/dbraw/zinc/26/69/57/1067266957.db2.gz HRANDJFEMLYMBA-INIZCTEOSA-N 0 0 458.202 4.525 20 30 JJEDRN C=C(C)[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC001459179932 1067266985 /nfs/dbraw/zinc/26/69/85/1067266985.db2.gz BUWXAKYPTGZIDX-FCHUYYIVSA-N 0 0 455.505 4.675 20 30 JJEDRN C=C(C)[C@@H](NC(=O)c1cc(S(=O)(=O)CC)ccc1Br)c1ccc(F)c(F)c1 ZINC001459184131 1067267475 /nfs/dbraw/zinc/26/74/75/1067267475.db2.gz LYVZGHMNQGXOAG-GOSISDBHSA-N 0 0 458.324 4.568 20 30 JJEDRN Cc1cc(C(=O)Cn2cc(C#N)c3ccsc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC001459219176 1067272413 /nfs/dbraw/zinc/27/24/13/1067272413.db2.gz UJYAFOVGCMGCIF-UHFFFAOYSA-N 0 0 453.470 4.827 20 30 JJEDRN C=CCC1(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)CCOCC1 ZINC001452998389 1067273169 /nfs/dbraw/zinc/27/31/69/1067273169.db2.gz QVGDHFJWRDOHTJ-UHFFFAOYSA-N 0 0 456.608 4.685 20 30 JJEDRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C)(C#N)CC2)O1 ZINC001546047544 1067276038 /nfs/dbraw/zinc/27/60/38/1067276038.db2.gz AMNPOQQPLHOXTM-IERDGZPVSA-N 0 0 461.408 4.513 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(CCC#N)CCC(C)C)O1 ZINC001546047601 1067276637 /nfs/dbraw/zinc/27/66/37/1067276637.db2.gz AWZDQZYOXNHYNE-QFQXNSOFSA-N 0 0 467.614 4.830 20 30 JJEDRN CC(=O)N(c1nc(Cn2c(=O)c(C#N)ccc2C(F)(F)F)cs1)c1cccc(Cl)c1 ZINC001459246717 1067277104 /nfs/dbraw/zinc/27/71/04/1067277104.db2.gz YUJJSOOBDBMBEI-UHFFFAOYSA-N 0 0 452.845 4.582 20 30 JJEDRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H](C#N)CCc2ccccc2)cc1 ZINC001453117967 1067280315 /nfs/dbraw/zinc/28/03/15/1067280315.db2.gz HMWQHDDZDXJGHM-VJTSUQJLSA-N 0 0 477.605 4.677 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)O1 ZINC001546048186 1067286504 /nfs/dbraw/zinc/28/65/04/1067286504.db2.gz JEQBOTHEHUDYRB-DVBNTOJCSA-N 0 0 494.640 4.515 20 30 JJEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001459316674 1067292217 /nfs/dbraw/zinc/29/22/17/1067292217.db2.gz ZUJQTUFBJUYQBA-INIZCTEOSA-N 0 0 457.546 4.892 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C(=O)OCC)c2cccc(C)c2C)s1 ZINC001459319263 1067293500 /nfs/dbraw/zinc/29/35/00/1067293500.db2.gz QZJJMAJIMGNZBN-IBGZPJMESA-N 0 0 453.029 4.876 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(C#N)CC2)O1 ZINC001546049301 1067295347 /nfs/dbraw/zinc/29/53/47/1067295347.db2.gz XZXHNTWPNGHGAF-SIKLNZKXSA-N 0 0 458.404 4.795 20 30 JJEDRN CC(C)(NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 ZINC001453325263 1067297755 /nfs/dbraw/zinc/29/77/55/1067297755.db2.gz RXBQRIBFIPNQJZ-UHFFFAOYSA-N 0 0 453.542 4.838 20 30 JJEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C#N ZINC001459341281 1067298425 /nfs/dbraw/zinc/29/84/25/1067298425.db2.gz CICUUITYVVSQEM-UHFFFAOYSA-N 0 0 459.550 4.782 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)C2)CC1 ZINC001453336991 1067298685 /nfs/dbraw/zinc/29/86/85/1067298685.db2.gz ORWMIOYSJJYEPY-FQEVSTJZSA-N 0 0 455.574 4.615 20 30 JJEDRN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC001459350861 1067301120 /nfs/dbraw/zinc/30/11/20/1067301120.db2.gz ZQKNJWVVXNNMRO-FSDSQADBSA-N 0 0 458.271 4.772 20 30 JJEDRN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001459350902 1067301248 /nfs/dbraw/zinc/30/12/48/1067301248.db2.gz ZQKNJWVVXNNMRO-QYNIQEEDSA-N 0 0 458.271 4.772 20 30 JJEDRN COC(=O)c1cccc(CN2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1C#N ZINC001459421145 1067320239 /nfs/dbraw/zinc/32/02/39/1067320239.db2.gz UIRYDJJJPYOGBJ-AREMUKBSSA-N 0 0 459.977 4.905 20 30 JJEDRN Cc1cc(N(CCC#N)C(=O)CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)ccc1Cl ZINC001459424450 1067322137 /nfs/dbraw/zinc/32/21/37/1067322137.db2.gz HMGFAWCJEWYICO-NRFANRHFSA-N 0 0 450.341 4.761 20 30 JJEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN(C)Cc3ccc(O)c(OC)c3)sc2C1 ZINC001459454677 1067327340 /nfs/dbraw/zinc/32/73/40/1067327340.db2.gz GELITYPIXJIJTO-QGZVFWFLSA-N 0 0 455.624 4.946 20 30 JJEDRN N#CCOc1ccc(CN2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)cc1 ZINC001459513466 1067342029 /nfs/dbraw/zinc/34/20/29/1067342029.db2.gz IGCGTWZBGDXRLL-FQEVSTJZSA-N 0 0 453.340 4.662 20 30 JJEDRN COc1ccc(-c2ccc(C)c(NC(=O)COc3ccc(C#N)c(Br)c3)c2)cn1 ZINC001459516536 1067342771 /nfs/dbraw/zinc/34/27/71/1067342771.db2.gz HGVYAJIYTPWNGH-UHFFFAOYSA-N 0 0 452.308 4.717 20 30 JJEDRN CCN(Cc1ccccc1Br)C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001459542663 1067347607 /nfs/dbraw/zinc/34/76/07/1067347607.db2.gz UGODFNXTLTXFBF-GOSISDBHSA-N 0 0 452.393 4.775 20 30 JJEDRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001459589599 1067358554 /nfs/dbraw/zinc/35/85/54/1067358554.db2.gz FMKVQCUPDMVNKH-IBGZPJMESA-N 0 0 455.514 4.927 20 30 JJEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001459636708 1067369702 /nfs/dbraw/zinc/36/97/02/1067369702.db2.gz WLAXPDMGGDDIBL-XCLFUZPHSA-N 0 0 453.892 4.744 20 30 JJEDRN N#Cc1ccc(N2CCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)CC2)c(Cl)c1 ZINC001459644487 1067371067 /nfs/dbraw/zinc/37/10/67/1067371067.db2.gz NXFIFBZERVJCTP-UHFFFAOYSA-N 0 0 459.160 4.899 20 30 JJEDRN CC(C)(C)c1ccc(C(=O)Oc2ccc(C#N)cc2I)cc1[N+](=O)[O-] ZINC001459653076 1067372133 /nfs/dbraw/zinc/37/21/33/1067372133.db2.gz QPYJKDQSAGLWHZ-UHFFFAOYSA-N 0 0 450.232 4.588 20 30 JJEDRN Cc1cc(F)ccc1N(CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC001459705340 1067388800 /nfs/dbraw/zinc/38/88/00/1067388800.db2.gz AQOSLZOGCKIJNP-UHFFFAOYSA-N 0 0 453.464 4.930 20 30 JJEDRN Cc1cc(F)ccc1N(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cccc(C#N)c1 ZINC001459709133 1067390966 /nfs/dbraw/zinc/39/09/66/1067390966.db2.gz YZGNJHHVMPIBFP-UHFFFAOYSA-N 0 0 456.521 4.543 20 30 JJEDRN CN(Cc1ccccc1)C(=O)N1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC001459716458 1067393924 /nfs/dbraw/zinc/39/39/24/1067393924.db2.gz KPSXBHFYUSVEOF-UHFFFAOYSA-N 0 0 452.602 4.756 20 30 JJEDRN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H](C)C(=O)Nc1ccccc1 ZINC001459746580 1067404017 /nfs/dbraw/zinc/40/40/17/1067404017.db2.gz FPGCJJJIVSRCTJ-OAQYLSRUSA-N 0 0 457.578 4.644 20 30 JJEDRN O=C(NCC(F)(F)C(F)F)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001459830544 1067443573 /nfs/dbraw/zinc/44/35/73/1067443573.db2.gz BPUQBRXLKIKOHW-UHFFFAOYSA-N 0 0 452.355 4.645 20 30 JJEDRN CCn1c(CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)nc2cc(Br)ccc21 ZINC001459842063 1067449031 /nfs/dbraw/zinc/44/90/31/1067449031.db2.gz RCEKOJBIGBUEQA-UHFFFAOYSA-N 0 0 451.368 4.819 20 30 JJEDRN CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001459851487 1067456807 /nfs/dbraw/zinc/45/68/07/1067456807.db2.gz WSRXSJPWHIKXEA-QFIPXVFZSA-N 0 0 459.933 4.877 20 30 JJEDRN CN(CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)Cc1cc(F)c(F)c(F)c1 ZINC001459854265 1067458663 /nfs/dbraw/zinc/45/86/63/1067458663.db2.gz GSOVIOWJXJCUBG-UHFFFAOYSA-N 0 0 452.480 4.716 20 30 JJEDRN CC1(C(=O)N2CCCN(c3ccccc3F)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001459862022 1067461905 /nfs/dbraw/zinc/46/19/05/1067461905.db2.gz BLODZVBRGFTMDN-UHFFFAOYSA-N 0 0 454.977 4.696 20 30 JJEDRN COc1cc(OC)cc(C2(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)CCCC2)c1 ZINC001459901234 1067480414 /nfs/dbraw/zinc/48/04/14/1067480414.db2.gz KPBMHSQCQCGZPD-UHFFFAOYSA-N 0 0 452.526 4.596 20 30 JJEDRN N#Cc1cc(NC(=O)CCCOc2ccc(I)cc2)nc2ccccc12 ZINC001459909230 1067484655 /nfs/dbraw/zinc/48/46/55/1067484655.db2.gz BBZAKDMKLQZFIA-UHFFFAOYSA-N 0 0 457.271 4.509 20 30 JJEDRN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001459924835 1067493795 /nfs/dbraw/zinc/49/37/95/1067493795.db2.gz REHIYTVYAZURQS-SFHVURJKSA-N 0 0 456.384 4.628 20 30 JJEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC001459930972 1067496426 /nfs/dbraw/zinc/49/64/26/1067496426.db2.gz ICAIXKNHRCEGGZ-HXUWFJFHSA-N 0 0 455.331 4.626 20 30 JJEDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC001459963918 1067509178 /nfs/dbraw/zinc/50/91/78/1067509178.db2.gz WSHXTBQGAJNIPK-KRWDZBQOSA-N 0 0 450.585 4.994 20 30 JJEDRN COc1ccc(-c2nc(CC(=O)Nc3ccc(C#N)c(Br)c3)cs2)cc1OC ZINC001459967408 1067510410 /nfs/dbraw/zinc/51/04/10/1067510410.db2.gz LWEMTCOKBJDTSD-UHFFFAOYSA-N 0 0 458.337 4.643 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)NCCn2ccc3cc(Cl)ccc32)nnc1-c1ccco1 ZINC001459974827 1067512301 /nfs/dbraw/zinc/51/23/01/1067512301.db2.gz XTLAEMDEOBDCMR-UHFFFAOYSA-N 0 0 455.971 4.631 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(Cl)ccc1I ZINC001459981342 1067514819 /nfs/dbraw/zinc/51/48/19/1067514819.db2.gz UMKLUYSONQWIGH-UHFFFAOYSA-N 0 0 457.743 4.941 20 30 JJEDRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC001459988819 1067516743 /nfs/dbraw/zinc/51/67/43/1067516743.db2.gz BPBXSJGYXVAEKY-SFHVURJKSA-N 0 0 452.395 4.944 20 30 JJEDRN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2nc(Cl)c(C#N)s2)cc1[N+](=O)[O-] ZINC001460001494 1067521826 /nfs/dbraw/zinc/52/18/26/1067521826.db2.gz DBXQPZUNCOAXHO-UHFFFAOYSA-N 0 0 458.908 4.782 20 30 JJEDRN O[C@@H](Cc1ccc(F)cc1)CN1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001460006712 1067524206 /nfs/dbraw/zinc/52/42/06/1067524206.db2.gz YOYFDJINRLLRGB-RBUKOAKNSA-N 0 0 451.382 4.840 20 30 JJEDRN Fc1ccc([C@@H](NCc2nnnn2-c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1Cl ZINC001460014087 1067527954 /nfs/dbraw/zinc/52/79/54/1067527954.db2.gz AVMPCGKRGBFPDX-OAHLLOKOSA-N 0 0 453.749 4.867 20 30 JJEDRN N#Cc1ccccc1Oc1ccccc1COC(=O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001460037009 1067536176 /nfs/dbraw/zinc/53/61/76/1067536176.db2.gz MVRWHCHBWRAQKZ-UHFFFAOYSA-N 0 0 458.495 4.903 20 30 JJEDRN Cc1cc(=O)c(C(=O)OCc2ccccc2Oc2ccccc2C#N)nn1-c1ccccc1F ZINC001460038193 1067536197 /nfs/dbraw/zinc/53/61/97/1067536197.db2.gz RQXMFPNIHXPNEX-UHFFFAOYSA-N 0 0 455.445 4.701 20 30 JJEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC001460045113 1067537915 /nfs/dbraw/zinc/53/79/15/1067537915.db2.gz BAJZQCLCGXYTML-IBGZPJMESA-N 0 0 451.785 4.858 20 30 JJEDRN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001460045425 1067538006 /nfs/dbraw/zinc/53/80/06/1067538006.db2.gz DMLYMQAJXURGPP-UXHICEINSA-N 0 0 452.769 4.743 20 30 JJEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001460163626 1067567941 /nfs/dbraw/zinc/56/79/41/1067567941.db2.gz VSNSCFMQGRGRQK-OAHLLOKOSA-N 0 0 459.015 4.807 20 30 JJEDRN Cc1c(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001460243863 1067589936 /nfs/dbraw/zinc/58/99/36/1067589936.db2.gz KOTUTMGOCJJKHI-UHFFFAOYSA-N 0 0 457.456 4.955 20 30 JJEDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)C1 ZINC001460433874 1067633966 /nfs/dbraw/zinc/63/39/66/1067633966.db2.gz AQLBZHVFILAPGR-REHUZNOOSA-N 0 0 453.608 4.518 20 30 JJEDRN C[C@@H](N[C@H](C)c1cc(F)c(Br)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001460445278 1067636218 /nfs/dbraw/zinc/63/62/18/1067636218.db2.gz JJQSSXFBOROMEQ-NXEZZACHSA-N 0 0 454.340 4.827 20 30 JJEDRN Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1Cl ZINC001460463540 1067638624 /nfs/dbraw/zinc/63/86/24/1067638624.db2.gz VXYMJCZBAFTWPI-XLIONFOSSA-N 0 0 463.022 4.520 20 30 JJEDRN CCCn1c2ccccc2n(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)c1=O ZINC001460476471 1067641413 /nfs/dbraw/zinc/64/14/13/1067641413.db2.gz UUWPNGHPIWGYBP-KRWDZBQOSA-N 0 0 450.608 4.936 20 30 JJEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)cc1 ZINC001460649638 1067685696 /nfs/dbraw/zinc/68/56/96/1067685696.db2.gz DQVNJGYERDEVTK-UHFFFAOYSA-N 0 0 450.482 4.840 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(-c2ccccn2)cc1 ZINC001460663631 1067692599 /nfs/dbraw/zinc/69/25/99/1067692599.db2.gz FOAHRBOICQIKHI-UHFFFAOYSA-N 0 0 452.308 4.799 20 30 JJEDRN N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3S(=O)(=O)C3CCCC3)o2)cc1 ZINC001460675980 1067697016 /nfs/dbraw/zinc/69/70/16/1067697016.db2.gz RZYLWRJWJLWBEO-UHFFFAOYSA-N 0 0 450.516 4.699 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc3ccccc3n2CC#N)C1 ZINC001460766570 1067719841 /nfs/dbraw/zinc/71/98/41/1067719841.db2.gz QKARDPMZEDOXND-RBBKRZOGSA-N 0 0 450.583 4.807 20 30 JJEDRN N#C[C@H]1CCC[C@H](OC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C1 ZINC001460798267 1067725825 /nfs/dbraw/zinc/72/58/25/1067725825.db2.gz QJSQFTHXWOQEKH-YWZLYKJASA-N 0 0 454.502 4.930 20 30 JJEDRN C=CCN(C(=O)CN1C2CCC1(CO)CC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460821325 1067729590 /nfs/dbraw/zinc/72/95/90/1067729590.db2.gz XHDDCGVDJNTGBF-UHFFFAOYSA-N 0 0 452.407 4.625 20 30 JJEDRN Cc1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cccc1S(=O)(=O)N(C)C ZINC001460864556 1067737124 /nfs/dbraw/zinc/73/71/24/1067737124.db2.gz UUPMYLKNVCFDKI-UHFFFAOYSA-N 0 0 451.573 4.521 20 30 JJEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC001460885867 1067742719 /nfs/dbraw/zinc/74/27/19/1067742719.db2.gz JTHSTQIFWJKKJI-QGZVFWFLSA-N 0 0 454.665 4.919 20 30 JJEDRN O=C(CSc1ccc(C(F)(F)F)cn1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460914295 1067747444 /nfs/dbraw/zinc/74/74/44/1067747444.db2.gz KQFXHFMOWSQZKZ-CQSZACIVSA-N 0 0 457.327 4.660 20 30 JJEDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(C#N)c3Br)cc2[N+](=O)[O-])C1 ZINC001461016627 1067762474 /nfs/dbraw/zinc/76/24/74/1067762474.db2.gz UJYAWJYNZVDHMH-KBPBESRZSA-N 0 0 457.328 4.964 20 30 JJEDRN Cc1c(NC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)ccc(Br)c1C#N ZINC001461058504 1067772198 /nfs/dbraw/zinc/77/21/98/1067772198.db2.gz YYJWITXHFWQONE-UHFFFAOYSA-N 0 0 457.278 4.834 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)Nc1cccc(Cc2nc3ccccc3[nH]2)c1)c1ccccc1 ZINC001461072856 1067776096 /nfs/dbraw/zinc/77/60/96/1067776096.db2.gz TYDJOMFRUFBWKT-UHFFFAOYSA-N 0 0 451.530 4.819 20 30 JJEDRN Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@@H](c3c[nH]c4cccc(F)c43)C(F)(F)F)cnc21 ZINC001461111253 1067784046 /nfs/dbraw/zinc/78/40/46/1067784046.db2.gz FPRQQFFXOTWJCO-AWEZNQCLSA-N 0 0 459.325 4.641 20 30 JJEDRN N#Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC001461150422 1067789891 /nfs/dbraw/zinc/78/98/91/1067789891.db2.gz OQWMCCMYUOAMEH-UHFFFAOYSA-N 0 0 454.458 4.538 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1 ZINC001461190308 1067795955 /nfs/dbraw/zinc/79/59/55/1067795955.db2.gz FRWQCKOBMZCRBD-QHCPKHFHSA-N 0 0 457.530 4.737 20 30 JJEDRN CC[C@@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl ZINC001461195435 1067797230 /nfs/dbraw/zinc/79/72/30/1067797230.db2.gz PISVGIKSSKJLTP-AWEZNQCLSA-N 0 0 454.379 4.583 20 30 JJEDRN C#CCOc1ccc(Br)cc1CNCc1cccnc1Oc1cccc(OC)c1 ZINC001461231449 1067805491 /nfs/dbraw/zinc/80/54/91/1067805491.db2.gz JSUXGRKOZUTJEZ-UHFFFAOYSA-N 0 0 453.336 4.947 20 30 JJEDRN C=CCOc1ccc(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1OC ZINC001461256615 1067811373 /nfs/dbraw/zinc/81/13/73/1067811373.db2.gz MQCIMFYYPYDDJY-VWLOTQADSA-N 0 0 455.551 4.682 20 30 JJEDRN CC(C)Cn1c(SCC(=O)N([C@@H](C)C#N)C2CC2)nnc1-c1ccc(Cl)cc1Cl ZINC001461407763 1067848265 /nfs/dbraw/zinc/84/82/65/1067848265.db2.gz GOHDJGVLNWMURL-ZDUSSCGKSA-N 0 0 452.411 4.903 20 30 JJEDRN C=CCc1ccc(OCC(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)c(OC)c1 ZINC001461430929 1067854372 /nfs/dbraw/zinc/85/43/72/1067854372.db2.gz MABVXAUGASNUDE-QMHKHESXSA-N 0 0 460.368 4.554 20 30 JJEDRN N#Cc1ccc(N2CCC[C@H](NCc3csc(COc4ccc(Cl)cc4)n3)C2=O)cc1 ZINC001461435778 1067856280 /nfs/dbraw/zinc/85/62/80/1067856280.db2.gz YYVXLMYMBNZKPZ-NRFANRHFSA-N 0 0 452.967 4.532 20 30 JJEDRN C=C[C@H](OC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br)c1ccccc1 ZINC001461543846 1067885405 /nfs/dbraw/zinc/88/54/05/1067885405.db2.gz ZZZWFSWRQIHCNG-IBGZPJMESA-N 0 0 452.370 4.564 20 30 JJEDRN CC1(C(=O)NCCc2ccc([Si](C)(C)C)cc2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001461650343 1067909741 /nfs/dbraw/zinc/90/97/41/1067909741.db2.gz RTPBCDVMNMEQTK-UHFFFAOYSA-N 0 0 454.090 4.722 20 30 JJEDRN CCS(=O)(=O)N(C)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC001461655522 1067911248 /nfs/dbraw/zinc/91/12/48/1067911248.db2.gz BRGKUSNEFOLGER-UHFFFAOYSA-N 0 0 451.573 4.748 20 30 JJEDRN CC(C)Oc1cc(C(=O)N[C@H](C#N)c2ccccc2Br)ccc1Br ZINC001461741362 1067928876 /nfs/dbraw/zinc/92/88/76/1067928876.db2.gz GYWHRXPJXWLUHE-MRXNPFEDSA-N 0 0 452.146 4.993 20 30 JJEDRN N#Cc1cc(F)c(OC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c(Br)c1 ZINC001461778888 1067935680 /nfs/dbraw/zinc/93/56/80/1067935680.db2.gz XXZWAVNGAGLIKE-UHFFFAOYSA-N 0 0 451.336 4.621 20 30 JJEDRN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3cc(Br)c(Br)cc3C2)c1 ZINC001461804248 1067939792 /nfs/dbraw/zinc/93/97/92/1067939792.db2.gz LTFYVCRQKHDOEO-DLBZAZTESA-N 0 0 460.169 4.772 20 30 JJEDRN Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(I)c1 ZINC001461884934 1067954501 /nfs/dbraw/zinc/95/45/01/1067954501.db2.gz LZPYDJZPINCOHC-NXEZZACHSA-N 0 0 455.155 4.993 20 30 JJEDRN C#CCN(Cc1c2ccccc2[nH]c1C(=O)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC001461986255 1067975339 /nfs/dbraw/zinc/97/53/39/1067975339.db2.gz JWQXJAGEPYAVBQ-FQEVSTJZSA-N 0 0 453.336 4.676 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cccc(NCc2ccc(C#N)c(F)c2)c1 ZINC001462023272 1067983346 /nfs/dbraw/zinc/98/33/46/1067983346.db2.gz JSFFXOOUVZVUHO-NRFANRHFSA-N 0 0 453.514 4.866 20 30 JJEDRN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001462060639 1067993516 /nfs/dbraw/zinc/99/35/16/1067993516.db2.gz BWGFRECWESUCTH-UHFFFAOYSA-N 0 0 457.306 4.649 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001462230068 1068033676 /nfs/dbraw/zinc/03/36/76/1068033676.db2.gz ROGAIPJOKLKYMH-WMZHIEFXSA-N 0 0 451.970 4.990 20 30 JJEDRN CN(CCc1cccc(C#N)c1)C(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001462298281 1068046498 /nfs/dbraw/zinc/04/64/98/1068046498.db2.gz PPKPVBJATRRWII-UHFFFAOYSA-N 0 0 459.359 4.500 20 30 JJEDRN CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CCCC1 ZINC001546130779 1068050266 /nfs/dbraw/zinc/05/02/66/1068050266.db2.gz CWHYEDGJHGPNCK-JOCHJYFZSA-N 0 0 462.642 4.776 20 30 JJEDRN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(C#N)CC2)CCOCC1 ZINC001546130809 1068050669 /nfs/dbraw/zinc/05/06/69/1068050669.db2.gz FAZIMEUXHYNSNS-UHFFFAOYSA-N 0 0 472.431 4.963 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@@H](C#N)C2CCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC001462456248 1068078259 /nfs/dbraw/zinc/07/82/59/1068078259.db2.gz TYYUXYKZQYWFBX-KRWDZBQOSA-N 0 0 450.395 4.729 20 30 JJEDRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 ZINC001546132279 1068093473 /nfs/dbraw/zinc/09/34/73/1068093473.db2.gz CBKPHRSITLXLSX-NRFANRHFSA-N 0 0 452.361 4.901 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCN(C(=O)COc2ccc(C#N)cc2)C1)C1CCCC1 ZINC001462633447 1068118761 /nfs/dbraw/zinc/11/87/61/1068118761.db2.gz FLJBYCGURNFQQG-REWPJTCUSA-N 0 0 455.599 4.649 20 30 JJEDRN COc1cc(C#N)ccc1C(=O)N1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001462633174 1068118832 /nfs/dbraw/zinc/11/88/32/1068118832.db2.gz DOTJCGHNSPICAU-SIKLNZKXSA-N 0 0 455.599 4.893 20 30 JJEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC001462694469 1068134155 /nfs/dbraw/zinc/13/41/55/1068134155.db2.gz HZASYUYBIRJHBW-CYBMUJFWSA-N 0 0 450.409 4.846 20 30 JJEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC001462697290 1068134779 /nfs/dbraw/zinc/13/47/79/1068134779.db2.gz UUKALUSQQWKXHH-AREMUKBSSA-N 0 0 458.936 4.681 20 30 JJEDRN C[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1cc(F)c(Cl)cc1Cl ZINC001462708068 1068138205 /nfs/dbraw/zinc/13/82/05/1068138205.db2.gz NTJFBVKZAYEREE-MRVPVSSYSA-N 0 0 452.132 4.806 20 30 JJEDRN COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)CCCCC#N ZINC001462714999 1068140048 /nfs/dbraw/zinc/14/00/48/1068140048.db2.gz KUYNGIUEOXPFHO-UHFFFAOYSA-N 0 0 452.532 4.812 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)Oc2ccc3oc4c(c3c2)CCCC4)cc1Br ZINC001462726307 1068143926 /nfs/dbraw/zinc/14/39/26/1068143926.db2.gz PEAZSGGDYTYRTA-UHFFFAOYSA-N 0 0 450.285 4.853 20 30 JJEDRN C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC001462750274 1068155204 /nfs/dbraw/zinc/15/52/04/1068155204.db2.gz NQMXMFUUVANOJA-AUUYWEPGSA-N 0 0 458.356 4.764 20 30 JJEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)N(c1ccccc1)c1ccccc1 ZINC001462802415 1068171180 /nfs/dbraw/zinc/17/11/80/1068171180.db2.gz BOOPIGRGXOHOGM-UHFFFAOYSA-N 0 0 454.509 4.946 20 30 JJEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC001462829690 1068181447 /nfs/dbraw/zinc/18/14/47/1068181447.db2.gz BZPOSYVMDKKERX-LBPRGKRZSA-N 0 0 457.777 4.755 20 30 JJEDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001462831493 1068182624 /nfs/dbraw/zinc/18/26/24/1068182624.db2.gz KMXLPJQMLOZNCC-BXUZGUMPSA-N 0 0 472.401 4.961 20 30 JJEDRN CCCOc1ccccc1Oc1ncccc1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC001462858649 1068193359 /nfs/dbraw/zinc/19/33/59/1068193359.db2.gz INQZZEKATAEUNW-UHFFFAOYSA-N 0 0 457.939 4.666 20 30 JJEDRN C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001462975894 1068235150 /nfs/dbraw/zinc/23/51/50/1068235150.db2.gz PYGYVMBFBGLLCM-UHFFFAOYSA-N 0 0 451.144 4.719 20 30 JJEDRN C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)c1 ZINC001463008737 1068248670 /nfs/dbraw/zinc/24/86/70/1068248670.db2.gz MXLZRATYHPXWEU-UHFFFAOYSA-N 0 0 459.976 4.873 20 30 JJEDRN O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC001463020629 1068254776 /nfs/dbraw/zinc/25/47/76/1068254776.db2.gz JYVHAXOMXLPFIZ-UHFFFAOYSA-N 0 0 450.354 4.948 20 30 JJEDRN O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1F ZINC001463025358 1068255708 /nfs/dbraw/zinc/25/57/08/1068255708.db2.gz SYBDNJLWMIBOQA-UHFFFAOYSA-N 0 0 450.354 4.948 20 30 JJEDRN N#Cc1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C2CC2)c1 ZINC001463041115 1068261117 /nfs/dbraw/zinc/26/11/17/1068261117.db2.gz TXWXHWHKBLFHAX-IBGZPJMESA-N 0 0 457.317 4.586 20 30 JJEDRN CC(C)COc1ccc(C(C)(C)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001463058577 1068269340 /nfs/dbraw/zinc/26/93/40/1068269340.db2.gz URSBRDPUNKZROI-UHFFFAOYSA-N 0 0 454.514 4.868 20 30 JJEDRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)cc1 ZINC001463146337 1068302071 /nfs/dbraw/zinc/30/20/71/1068302071.db2.gz HUAKVAQHEGIWCK-IZZNHLLZSA-N 0 0 459.571 4.772 20 30 JJEDRN CCOCCOc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C(C)C ZINC001463148951 1068302917 /nfs/dbraw/zinc/30/29/17/1068302917.db2.gz WKUNXCSCRNLVDH-RPWUZVMVSA-N 0 0 456.608 4.686 20 30 JJEDRN CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1Cl)Cc1ccccc1 ZINC001463217703 1068323593 /nfs/dbraw/zinc/32/35/93/1068323593.db2.gz YEKFCRKWCYCHMV-UHFFFAOYSA-N 0 0 453.995 4.535 20 30 JJEDRN CC[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)Oc1ccccc1C(F)(F)F ZINC001463243054 1068332976 /nfs/dbraw/zinc/33/29/76/1068332976.db2.gz WMUVNYACWNJBLH-LLVKDONJSA-N 0 0 459.383 4.999 20 30 JJEDRN O=S(=O)(CCC(F)(F)F)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC001463412326 1068389201 /nfs/dbraw/zinc/38/92/01/1068389201.db2.gz NHEITJYQKDNZGT-INIZCTEOSA-N 0 0 459.383 4.836 20 30 JJEDRN Cc1cc2c(cc1Br)N(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CCC2 ZINC001463436104 1068396649 /nfs/dbraw/zinc/39/66/49/1068396649.db2.gz SGNOKNAEIWWHBC-UHFFFAOYSA-N 0 0 459.287 4.790 20 30 JJEDRN N#CCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cc1 ZINC001463456834 1068406077 /nfs/dbraw/zinc/40/60/77/1068406077.db2.gz WECNKGJVNIUCNT-UHFFFAOYSA-N 0 0 455.377 4.906 20 30 JJEDRN N#Cc1ccc(C2(C(=O)Nc3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)CC2)cc1 ZINC001463626652 1068472833 /nfs/dbraw/zinc/47/28/33/1068472833.db2.gz NESMMLZXHRHWRB-UHFFFAOYSA-N 0 0 451.935 4.683 20 30 JJEDRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC001463627905 1068473542 /nfs/dbraw/zinc/47/35/42/1068473542.db2.gz DWVJXOHHQCFNLP-FQEVSTJZSA-N 0 0 452.407 4.688 20 30 JJEDRN Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C ZINC001463708847 1068501579 /nfs/dbraw/zinc/50/15/79/1068501579.db2.gz BQWGOWHGLSTVNE-UHFFFAOYSA-N 0 0 455.923 4.521 20 30 JJEDRN Cc1sc2ncn(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)c(=O)c2c1C ZINC001463754549 1068513518 /nfs/dbraw/zinc/51/35/18/1068513518.db2.gz ZNMWXVVHINFKIR-UHFFFAOYSA-N 0 0 450.907 4.776 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)NCc2ccc(C3CCCCC3)cc2)cc1Br ZINC001463757641 1068514988 /nfs/dbraw/zinc/51/49/88/1068514988.db2.gz ZLRNCGCPTDDBEJ-UHFFFAOYSA-N 0 0 451.361 4.986 20 30 JJEDRN N#CCCC[C@H](NS(=O)(=O)c1cnc2c(Br)csc2c1)c1ccccc1 ZINC001463773753 1068520480 /nfs/dbraw/zinc/52/04/80/1068520480.db2.gz GSZDXJHFXVJBKZ-INIZCTEOSA-N 0 0 450.383 4.772 20 30 JJEDRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001463794956 1068527052 /nfs/dbraw/zinc/52/70/52/1068527052.db2.gz MEGROVXLQKVMLS-QFQXNSOFSA-N 0 0 457.549 4.593 20 30 JJEDRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001463798969 1068528456 /nfs/dbraw/zinc/52/84/56/1068528456.db2.gz XIMJTSGSIRSERA-HXUWFJFHSA-N 0 0 454.452 4.692 20 30 JJEDRN Cc1ccc(S(=O)(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c(C#N)c1 ZINC001463846151 1068546332 /nfs/dbraw/zinc/54/63/32/1068546332.db2.gz XRYIPACNYQKYLZ-UHFFFAOYSA-N 0 0 455.580 4.782 20 30 JJEDRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#Cc1ccccc1 ZINC001463880497 1068554636 /nfs/dbraw/zinc/55/46/36/1068554636.db2.gz NXOPNTAWCXSOLB-LJAQVGFWSA-N 0 0 452.554 4.862 20 30 JJEDRN CCCCOc1ccc(C=NOCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1OC ZINC001463898225 1068559299 /nfs/dbraw/zinc/55/92/99/1068559299.db2.gz HQTKYRGDIUAHMB-UHFFFAOYSA-N 0 0 457.530 4.658 20 30 JJEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 ZINC001463921340 1068566620 /nfs/dbraw/zinc/56/66/20/1068566620.db2.gz CNDWXTBVBHZNRB-UHFFFAOYSA-N 0 0 456.428 4.799 20 30 JJEDRN C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)C1 ZINC001463951059 1068573325 /nfs/dbraw/zinc/57/33/25/1068573325.db2.gz UAFPEWOFOCIWRA-OAHLLOKOSA-N 0 0 452.345 4.805 20 30 JJEDRN O=S(=O)(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463972990 1068579143 /nfs/dbraw/zinc/57/91/43/1068579143.db2.gz CUODPXYTBMFGJO-JQWIXIFHSA-N 0 0 459.330 4.503 20 30 JJEDRN CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cs1 ZINC001463979305 1068580141 /nfs/dbraw/zinc/58/01/41/1068580141.db2.gz BVJMFVQNPKIKMK-UHFFFAOYSA-N 0 0 453.589 4.924 20 30 JJEDRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC001464013905 1068588762 /nfs/dbraw/zinc/58/87/62/1068588762.db2.gz CFZQDOYHRRGJEX-GOSISDBHSA-N 0 0 455.381 4.725 20 30 JJEDRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1=O ZINC001464019774 1068590981 /nfs/dbraw/zinc/59/09/81/1068590981.db2.gz RXHIZYAUHJHEPF-VPWXQRGCSA-N 0 0 454.368 4.697 20 30 JJEDRN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001464059138 1068602263 /nfs/dbraw/zinc/60/22/63/1068602263.db2.gz PTDTWLFOXSNKHU-WFASDCNBSA-N 0 0 451.224 4.933 20 30 JJEDRN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001464059137 1068602369 /nfs/dbraw/zinc/60/23/69/1068602369.db2.gz PTDTWLFOXSNKHU-SWLSCSKDSA-N 0 0 451.224 4.933 20 30 JJEDRN C[C@@H](NC(=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC001464070253 1068605042 /nfs/dbraw/zinc/60/50/42/1068605042.db2.gz VVDAMETYHFTIFT-CYBMUJFWSA-N 0 0 452.308 4.578 20 30 JJEDRN C=CC1(CC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001464089987 1068611600 /nfs/dbraw/zinc/61/16/00/1068611600.db2.gz CQTDTTWYYDBZJS-STQMWFEESA-N 0 0 458.443 4.825 20 30 JJEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1C ZINC001464126998 1068625024 /nfs/dbraw/zinc/62/50/24/1068625024.db2.gz AXLNOHFYUFUREL-QAPCUYQASA-N 0 0 453.571 4.591 20 30 JJEDRN N#Cc1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1Br ZINC001464134141 1068628562 /nfs/dbraw/zinc/62/85/62/1068628562.db2.gz ZUKOMBHGVRSJIO-QGZVFWFLSA-N 0 0 450.739 4.680 20 30 JJEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(I)c2N)cc1 ZINC001464138665 1068630520 /nfs/dbraw/zinc/63/05/20/1068630520.db2.gz UGDYUBCJEDILDZ-GOSISDBHSA-N 0 0 453.283 4.781 20 30 JJEDRN N#Cc1cccc(COc2cccc(NC(=O)c3c(Br)nc4n3CCCC4)c2)c1 ZINC001464188780 1068648443 /nfs/dbraw/zinc/64/84/43/1068648443.db2.gz KVNXYSBYWNVRCG-UHFFFAOYSA-N 0 0 451.324 4.685 20 30 JJEDRN Cc1cc(Cl)ccc1C1=CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC001464206749 1068657337 /nfs/dbraw/zinc/65/73/37/1068657337.db2.gz OLGUPEJIMFMYBW-UHFFFAOYSA-N 0 0 451.773 4.761 20 30 JJEDRN Cc1cc(Cl)ccc1C1=CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC001464208318 1068658106 /nfs/dbraw/zinc/65/81/06/1068658106.db2.gz YYQDSVSYLXBRGO-UHFFFAOYSA-N 0 0 451.773 4.761 20 30 JJEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2c3ccccc3C[C@@H]2Cc2ccccc2)c1 ZINC001464232819 1068667645 /nfs/dbraw/zinc/66/76/45/1068667645.db2.gz XAVSQIANGVSWQW-FQEVSTJZSA-N 0 0 453.361 4.683 20 30 JJEDRN C[C@@](O)(CSc1cccc(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC001464272428 1068684817 /nfs/dbraw/zinc/68/48/17/1068684817.db2.gz PSHVEVGYGRAILT-RUZDIDTESA-N 0 0 450.535 4.953 20 30 JJEDRN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC001464299011 1068697018 /nfs/dbraw/zinc/69/70/18/1068697018.db2.gz QIUCVWDGWAQDCQ-UHFFFAOYSA-N 0 0 453.789 4.618 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)cc1Cl ZINC001464307318 1068699623 /nfs/dbraw/zinc/69/96/23/1068699623.db2.gz CDRJOROJLMQZKS-UHFFFAOYSA-N 0 0 454.939 4.545 20 30 JJEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC001464316134 1068702250 /nfs/dbraw/zinc/70/22/50/1068702250.db2.gz JYGYSWSTFGPYFR-UHFFFAOYSA-N 0 0 450.901 4.701 20 30 JJEDRN Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC001464352006 1068716439 /nfs/dbraw/zinc/71/64/39/1068716439.db2.gz USYCTLQRSRGMCR-UHFFFAOYSA-N 0 0 452.308 4.756 20 30 JJEDRN Cc1ccc(Oc2cc(Br)ccc2CN(C)S(=O)(=O)CC(C)(C)C#N)cc1 ZINC001464396006 1068730804 /nfs/dbraw/zinc/73/08/04/1068730804.db2.gz CHRITSAKOSZWQQ-UHFFFAOYSA-N 0 0 451.386 4.861 20 30 JJEDRN N#CC[C@@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1ccccc1 ZINC001464403031 1068734034 /nfs/dbraw/zinc/73/40/34/1068734034.db2.gz LKGHJPSDCQTWEO-KRWDZBQOSA-N 0 0 455.486 4.792 20 30 JJEDRN CN([C@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC001464431605 1068742791 /nfs/dbraw/zinc/74/27/91/1068742791.db2.gz JQDNKIAZJZWOSV-OAQYLSRUSA-N 0 0 459.340 4.870 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](c3ccc(F)cc3)c3ccc(OC)cc3)[nH]n2)c1C ZINC001464433089 1068743338 /nfs/dbraw/zinc/74/33/38/1068743338.db2.gz AMQIZHPHWXTRRN-RUZDIDTESA-N 0 0 459.525 4.743 20 30 JJEDRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001464459230 1068754402 /nfs/dbraw/zinc/75/44/02/1068754402.db2.gz AMUXLRZOYAMUQI-UHFFFAOYSA-N 0 0 456.525 4.758 20 30 JJEDRN O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001464641251 1068808521 /nfs/dbraw/zinc/80/85/21/1068808521.db2.gz IFHLCIOJZSIVMW-UHFFFAOYSA-N 0 0 452.388 4.677 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(NCc2cnn(C)c2)cc1 ZINC001464723475 1068839155 /nfs/dbraw/zinc/83/91/55/1068839155.db2.gz PQMDGXNQPJOVEH-UHFFFAOYSA-N 0 0 457.347 4.762 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(OC)cc2)c1 ZINC000003331455 194285658 /nfs/dbraw/zinc/28/56/58/194285658.db2.gz PJCQKJPUSIDEPZ-UHFFFAOYSA-N 0 0 485.005 4.702 20 30 JJEDRN C=CCn1c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)n2c2ccccc2c1=O ZINC000003301685 519273973 /nfs/dbraw/zinc/27/39/73/519273973.db2.gz JRTQPBSSOYBUDA-GFCCVEGCSA-N 0 0 474.373 4.656 20 30 JJEDRN CN1C/C(=C\c2ccc(O)c(Br)c2)C(=O)/C(=C/c2ccc(O)c(Br)c2)C1 ZINC000029051805 563093059 /nfs/dbraw/zinc/09/30/59/563093059.db2.gz ZRUNGEBRUZSURT-MKFXEVHTSA-N 0 0 479.168 4.604 20 30 JJEDRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3ccnc(Cl)c3C#N)CC2)c2ccccc21 ZINC001164636067 719139443 /nfs/dbraw/zinc/13/94/43/719139443.db2.gz YCTKOQDJORKIDF-OAQYLSRUSA-N 0 0 488.966 4.629 20 30 JJEDRN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3cc(Cl)ncc3C#N)CC2)c2ccccc21 ZINC001164632969 719140422 /nfs/dbraw/zinc/14/04/22/719140422.db2.gz QRAVDYVKIFPTEQ-NRFANRHFSA-N 0 0 488.966 4.629 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)c(Cl)nn2)c1 ZINC001164654811 719295786 /nfs/dbraw/zinc/29/57/86/719295786.db2.gz RUMAJVHTPMGNFU-VABKMULXSA-N 0 0 497.933 4.562 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)c(Cl)nn2)cc1 ZINC001164656382 719295790 /nfs/dbraw/zinc/29/57/90/719295790.db2.gz WRHGWILUYNIXSZ-VJBWXMMDSA-N 0 0 497.933 4.562 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)c(Cl)nn2)cc1 ZINC001164656384 719295831 /nfs/dbraw/zinc/29/58/31/719295831.db2.gz WRHGWILUYNIXSZ-ZRBLBEILSA-N 0 0 497.933 4.562 20 30 JJEDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@@H]3O2)n1 ZINC001164653089 719301812 /nfs/dbraw/zinc/30/18/12/719301812.db2.gz NYQRENAMLDMBDZ-VDGAXYAQSA-N 0 0 471.895 4.867 20 30 JJEDRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]3O2)n1 ZINC001164650619 719301834 /nfs/dbraw/zinc/30/18/34/719301834.db2.gz JULUMFVRGWIDEJ-LSTHTHJFSA-N 0 0 471.895 4.867 20 30 JJEDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164665013 719355853 /nfs/dbraw/zinc/35/58/53/719355853.db2.gz UHAZFEFJZKLHIW-UHFFFAOYSA-N 0 0 452.606 4.527 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4cccc5c(Cl)nccc54)C3)C2)n1 ZINC001164666004 719358946 /nfs/dbraw/zinc/35/89/46/719358946.db2.gz ZRUFKYWAPUEUJE-XMMPIXPASA-N 0 0 483.950 4.823 20 30 JJEDRN CCOC[C@@H]1CN(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164664779 719364416 /nfs/dbraw/zinc/36/44/16/719364416.db2.gz RKUIGIRQHUVIMC-IBGZPJMESA-N 0 0 498.965 4.960 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)[C@H]2CC ZINC001164698535 719821665 /nfs/dbraw/zinc/82/16/65/719821665.db2.gz DQACKZFPZSCGNJ-KKSFZXQISA-N 0 0 452.908 4.893 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)[C@H]2CC ZINC001164704479 719821813 /nfs/dbraw/zinc/82/18/13/719821813.db2.gz YDQGQPUVQPLBRE-BKMJKUGQSA-N 0 0 466.029 4.572 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)[C@H]2CC ZINC001164704061 719823882 /nfs/dbraw/zinc/82/38/82/719823882.db2.gz XKETWRWPDLPFKD-AVRDEDQJSA-N 0 0 461.944 4.663 20 30 JJEDRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)CC1)nc2-c1cccnc1 ZINC001164700815 719880976 /nfs/dbraw/zinc/88/09/76/719880976.db2.gz MCRUQVZPJWRBPH-UHFFFAOYSA-N 0 0 479.922 4.879 20 30 JJEDRN COc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)c(C#N)c(Cl)n1 ZINC001164822291 720395112 /nfs/dbraw/zinc/39/51/12/720395112.db2.gz LFKURWMJEUWQKQ-FQEVSTJZSA-N 0 0 468.882 4.902 20 30 JJEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC001164836135 720734911 /nfs/dbraw/zinc/73/49/11/720734911.db2.gz BCVLQGYOMQTZRI-UHFFFAOYSA-N 0 0 484.913 4.639 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC001164838818 720735322 /nfs/dbraw/zinc/73/53/22/720735322.db2.gz YDEZVFOGDMBCTN-UHFFFAOYSA-N 0 0 484.913 4.639 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCC(=O)N4c3ccccc3)c(Cl)nn2)cc1 ZINC001164848964 720769138 /nfs/dbraw/zinc/76/91/38/720769138.db2.gz RKZUHYGLCJVYPR-VXKWHMMOSA-N 0 0 479.918 4.988 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCC(=O)N4c3ccccc3)c(Cl)nn2)c1 ZINC001164847197 720769305 /nfs/dbraw/zinc/76/93/05/720769305.db2.gz LUHUOOGBARGNKQ-YADHBBJMSA-N 0 0 479.918 4.988 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847498 720769754 /nfs/dbraw/zinc/76/97/54/720769754.db2.gz NBWZKSWMNYWUEJ-JLSDUUJJSA-N 0 0 469.319 4.543 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164769276 721060048 /nfs/dbraw/zinc/06/00/48/721060048.db2.gz JAFUYCWCWUCHOD-JPYJTQIMSA-N 0 0 475.923 4.871 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@@H]32)N=C1C ZINC001164873968 721236389 /nfs/dbraw/zinc/23/63/89/721236389.db2.gz RQRMGVLOXXOCLH-LEXZLQQCSA-N 0 0 492.357 4.824 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC4CC3(C(=O)N3CCCC3)C4)cc2c1Cl ZINC001164874068 721239505 /nfs/dbraw/zinc/23/95/05/721239505.db2.gz SPXQGRMGFFSZFD-UHFFFAOYSA-N 0 0 451.304 4.549 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CCC(=O)N4CC4CC4)CC3)c(Cl)nn2)c1 ZINC001164778042 721307344 /nfs/dbraw/zinc/30/73/44/721307344.db2.gz VIYISWSYCMWLQU-UHFFFAOYSA-N 0 0 471.939 4.585 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)cc2c1Cl ZINC001164787532 721440466 /nfs/dbraw/zinc/44/04/66/721440466.db2.gz XMLFZMOOCIAEDW-CHWSQXEVSA-N 0 0 480.371 4.983 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2ccc(C#N)c(Cl)n2)CCO3)cs1 ZINC001164782633 721442954 /nfs/dbraw/zinc/44/29/54/721442954.db2.gz KMZXOZFXLWONSH-OXQOHEQNSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)c(C#N)c2)CCO3)cs1 ZINC001164784428 721443996 /nfs/dbraw/zinc/44/39/96/721443996.db2.gz PRHCSIJXEZXKIP-OXQOHEQNSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)cc2C#N)CCO3)cs1 ZINC001164787545 721444372 /nfs/dbraw/zinc/44/43/72/721444372.db2.gz XPXORVVNJFFYLF-OXQOHEQNSA-N 0 0 468.957 4.509 20 30 JJEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)CC2 ZINC001164783664 721447738 /nfs/dbraw/zinc/44/77/38/721447738.db2.gz COUIIEIUCPBAHV-UHFFFAOYSA-N 0 0 459.928 4.649 20 30 JJEDRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)Cc2cnn(C)c21 ZINC001164793897 721478947 /nfs/dbraw/zinc/47/89/47/721478947.db2.gz ZMJRMXOEKUGIOT-GOSISDBHSA-N 0 0 457.912 4.692 20 30 JJEDRN CN(Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164805019 721592133 /nfs/dbraw/zinc/59/21/33/721592133.db2.gz JYTFYARPGQGWLE-MZKRTTBSSA-N 0 0 468.388 4.676 20 30 JJEDRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC2)Oc2ccccc21 ZINC001164802909 721593318 /nfs/dbraw/zinc/59/33/18/721593318.db2.gz WDMVXCACVUXZPF-SFHVURJKSA-N 0 0 488.966 4.972 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)cnc2Cl)c1 ZINC001164800445 721600327 /nfs/dbraw/zinc/60/03/27/721600327.db2.gz MHVSAEZAWRWUKC-UHFFFAOYSA-N 0 0 469.923 4.962 20 30 JJEDRN COc1cc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c(C#N)c(Cl)n1 ZINC001164803513 721601261 /nfs/dbraw/zinc/60/12/61/721601261.db2.gz VBAMDMIZGVKPGM-JTSKRJEESA-N 0 0 462.928 4.687 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)cnc1Cl ZINC001164797150 721605433 /nfs/dbraw/zinc/60/54/33/721605433.db2.gz AJCGTTNSQVFRPG-FQEVSTJZSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001164803820 721605794 /nfs/dbraw/zinc/60/57/94/721605794.db2.gz WJIBDRIGBCQUCC-FQEVSTJZSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1cc(C(F)(F)N2C[C@@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)cc(Cl)n1 ZINC001164910588 721741111 /nfs/dbraw/zinc/74/11/11/721741111.db2.gz GPIHRTHUOCEAFE-URXFXBBRSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@H](c2ccccc2)[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164913120 721741619 /nfs/dbraw/zinc/74/16/19/721741619.db2.gz TUTRPUNMTDQGCG-YKSBVNFPSA-N 0 0 479.918 4.574 20 30 JJEDRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164908874 721745392 /nfs/dbraw/zinc/74/53/92/721745392.db2.gz NCEWBXOEEPQSNP-UHFFFAOYSA-N 0 0 478.330 4.988 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)cc(Cl)n1 ZINC001164929698 721899439 /nfs/dbraw/zinc/89/94/39/721899439.db2.gz WCIALAAMOLTMGL-UHFFFAOYSA-N 0 0 468.935 4.709 20 30 JJEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)c1 ZINC001164928123 721899654 /nfs/dbraw/zinc/89/96/54/721899654.db2.gz LXILFBNXGDFWSK-UHFFFAOYSA-N 0 0 468.935 4.709 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C[C@@H]21 ZINC001164943254 721964585 /nfs/dbraw/zinc/96/45/85/721964585.db2.gz DZNQTBASGYTADI-XZOQPEGZSA-N 0 0 499.949 4.513 20 30 JJEDRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)CC2=O)s1 ZINC001164959113 722043645 /nfs/dbraw/zinc/04/36/45/722043645.db2.gz HCTHFVUNZHTSAH-SFHVURJKSA-N 0 0 457.333 4.808 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@H]4C3)cnc2Cl)cc1 ZINC001164956568 722049615 /nfs/dbraw/zinc/04/96/15/722049615.db2.gz ASZKPBQBVLVVHI-XLIONFOSSA-N 0 0 468.891 4.762 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@H]4C3)cc2c1Cl ZINC001164959736 722049644 /nfs/dbraw/zinc/04/96/44/722049644.db2.gz RUTRLTBQPYHBKZ-PXAZEXFGSA-N 0 0 477.298 4.902 20 30 JJEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)c1 ZINC001164960374 722049779 /nfs/dbraw/zinc/04/97/79/722049779.db2.gz VNCTUEDRXMQRBS-UHFFFAOYSA-N 0 0 465.895 4.640 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cscn3)cc2c1Cl ZINC001164966665 722066314 /nfs/dbraw/zinc/06/63/14/722066314.db2.gz WMLCRVIKYDCRPK-SJORKVTESA-N 0 0 494.354 4.908 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)cc(Cl)n1 ZINC001164974728 722160619 /nfs/dbraw/zinc/16/06/19/722160619.db2.gz PHXWFIUEYUFISM-UHFFFAOYSA-N 0 0 456.924 4.836 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)CCO2 ZINC001164976136 722168960 /nfs/dbraw/zinc/16/89/60/722168960.db2.gz JTWBBWYLRLKKHP-RLWLMLJZSA-N 0 0 470.683 4.872 20 30 JJEDRN C=CCOC[C@H]1CCC[C@@]12CN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)CCO2 ZINC001164973748 722169295 /nfs/dbraw/zinc/16/92/95/722169295.db2.gz CRKJYFBUZOTRCC-NFQMXDRXSA-N 0 0 482.694 4.744 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)CCO2 ZINC001164976178 722169731 /nfs/dbraw/zinc/16/97/31/722169731.db2.gz KEIWZGYDTGSRTO-ZBLYBZFDSA-N 0 0 478.662 4.998 20 30 JJEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CCO2 ZINC001164974568 722169935 /nfs/dbraw/zinc/16/99/35/722169935.db2.gz GBWPDIVRIWQPMD-OPAMFIHVSA-N 0 0 494.926 4.828 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)CCO2 ZINC001164973572 722169937 /nfs/dbraw/zinc/16/99/37/722169937.db2.gz CANPSXHIZTYQPG-HTAPYJJXSA-N 0 0 494.926 4.828 20 30 JJEDRN N#Cc1c(Cl)nc(C(F)(F)N2CCC3(CC(OCC4CC4)C3)CC2)nc1C(F)(F)F ZINC001164980444 722173203 /nfs/dbraw/zinc/17/32/03/722173203.db2.gz YCVNOJMOEXMZPV-UHFFFAOYSA-N 0 0 450.839 4.741 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)cc(Cl)n1 ZINC001164998041 722220629 /nfs/dbraw/zinc/22/06/29/722220629.db2.gz GWGXSVAIQXAEFW-UHFFFAOYSA-N 0 0 468.935 4.613 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)C2)c1 ZINC001165005058 722259008 /nfs/dbraw/zinc/25/90/08/722259008.db2.gz UQPWBNDKKSZJBI-QHCPKHFHSA-N 0 0 472.967 4.850 20 30 JJEDRN CC(C)c1nnc(N2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1Cc1cccnc1OCC(F)(F)F ZINC001359727473 1064274170 /nfs/dbraw/zinc/27/41/70/1064274170.db2.gz WAOLBQSWAZDWFU-UXHICEINSA-N 0 0 470.499 4.529 20 30 JJEDRN C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)c1ccccc1 ZINC001545886093 1064302953 /nfs/dbraw/zinc/30/29/53/1064302953.db2.gz QWPTXWMLNRUMGS-JOCHJYFZSA-N 0 0 456.926 4.774 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001359739118 1064305085 /nfs/dbraw/zinc/30/50/85/1064305085.db2.gz LMHQJPJKWPBVAB-FQEVSTJZSA-N 0 0 452.603 4.602 20 30 JJEDRN CCCCc1nc(-c2cccc(OC(=O)COc3ccc(C#N)c(Br)c3)c2)no1 ZINC001434868825 1064306627 /nfs/dbraw/zinc/30/66/27/1064306627.db2.gz FMFFHDDJMYIOQL-UHFFFAOYSA-N 0 0 456.296 4.698 20 30 JJEDRN CC(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)(F)C(F)F)CC1 ZINC001359740011 1064309007 /nfs/dbraw/zinc/30/90/07/1064309007.db2.gz KNUYLMZIIOWZLB-UHFFFAOYSA-N 0 0 453.484 4.606 20 30 JJEDRN C#CCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)cc1 ZINC001434878039 1064310987 /nfs/dbraw/zinc/31/09/87/1064310987.db2.gz VQFXJQGSSJSITG-UHFFFAOYSA-N 0 0 459.977 4.927 20 30 JJEDRN CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001359745750 1064320360 /nfs/dbraw/zinc/32/03/60/1064320360.db2.gz QAGPTHHVGPAKQI-GGAORHGYSA-N 0 0 496.656 4.760 20 30 JJEDRN CC(C)(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001434909755 1064336116 /nfs/dbraw/zinc/33/61/16/1064336116.db2.gz ALCBUVUQRMQBLX-UHFFFAOYSA-N 0 0 455.923 4.590 20 30 JJEDRN N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)c(I)c3)cc2)nc1 ZINC001434910799 1064336932 /nfs/dbraw/zinc/33/69/32/1064336932.db2.gz HMASYVAEIPNKKE-UHFFFAOYSA-N 0 0 459.218 4.742 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)CCO1 ZINC001359754215 1064345132 /nfs/dbraw/zinc/34/51/32/1064345132.db2.gz AHAJCPLRDXSCSF-FQEVSTJZSA-N 0 0 472.014 4.548 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 ZINC001359754730 1064345708 /nfs/dbraw/zinc/34/57/08/1064345708.db2.gz KXYOVWKVOLUCEO-IRLDBZIGSA-N 0 0 473.568 4.806 20 30 JJEDRN C=CCc1cc(CNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc(OC)c1OC ZINC001434921276 1064349702 /nfs/dbraw/zinc/34/97/02/1064349702.db2.gz VBIOBLNLUOBSEH-UHFFFAOYSA-N 0 0 452.551 4.613 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)Nc2ccc(C(C)C)cc2C(=O)OC)nnc1-c1ccco1 ZINC001434923056 1064351376 /nfs/dbraw/zinc/35/13/76/1064351376.db2.gz UMPLENLOJQYVEZ-UHFFFAOYSA-N 0 0 454.552 4.755 20 30 JJEDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001359756277 1064352551 /nfs/dbraw/zinc/35/25/51/1064352551.db2.gz OLPVFUPGUAKGNB-FYINFDKHSA-N 0 0 478.460 4.960 20 30 JJEDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CCC#N)CC1CC1 ZINC001359756447 1064354025 /nfs/dbraw/zinc/35/40/25/1064354025.db2.gz RJZQFWMNAYNYDN-CTNGQTDRSA-N 0 0 472.431 4.899 20 30 JJEDRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001359756462 1064354040 /nfs/dbraw/zinc/35/40/40/1064354040.db2.gz RQSFUGMCMGAGKC-LEDOBFOHSA-N 0 0 472.431 4.899 20 30 JJEDRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CCC#N)CC1CC1 ZINC001359756450 1064354242 /nfs/dbraw/zinc/35/42/42/1064354242.db2.gz RJZQFWMNAYNYDN-TZIWHRDSSA-N 0 0 472.431 4.899 20 30 JJEDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(N2CCC(Oc3cccc(C#N)c3)CC2)nnc1C(C)(C)C ZINC001359763999 1064381680 /nfs/dbraw/zinc/38/16/80/1064381680.db2.gz TVBXTSWBXFJQOK-XUZZJYLKSA-N 0 0 465.642 4.946 20 30 JJEDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(N2CCC(Oc3cccc(C#N)c3)CC2)nnc1C(C)(C)C ZINC001359764000 1064381740 /nfs/dbraw/zinc/38/17/40/1064381740.db2.gz TVBXTSWBXFJQOK-ZJSXRUAMSA-N 0 0 465.642 4.946 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 ZINC001359764051 1064382561 /nfs/dbraw/zinc/38/25/61/1064382561.db2.gz UITKLIHKSYNJKW-REWPJTCUSA-N 0 0 469.655 4.512 20 30 JJEDRN C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)ccc1F ZINC001434971469 1064386500 /nfs/dbraw/zinc/38/65/00/1064386500.db2.gz REFBBXMHLNSMKH-KRWDZBQOSA-N 0 0 454.523 4.573 20 30 JJEDRN N#Cc1ccccc1N1CCN(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001434973880 1064388802 /nfs/dbraw/zinc/38/88/02/1064388802.db2.gz CQSJAPPZWVCKBN-WAYWQWQTSA-N 0 0 453.386 4.958 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1 ZINC001434980005 1064396404 /nfs/dbraw/zinc/39/64/04/1064396404.db2.gz YMGHLMVVMFVGRS-QHCPKHFHSA-N 0 0 455.514 4.797 20 30 JJEDRN CC(C)CC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001359774207 1064414577 /nfs/dbraw/zinc/41/45/77/1064414577.db2.gz LIBXHYZGSOHLNS-DFBJGRDBSA-N 0 0 474.625 4.661 20 30 JJEDRN CC(C)CC1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001359774578 1064415258 /nfs/dbraw/zinc/41/52/58/1064415258.db2.gz XSSCLKBWNWAJEF-QGZVFWFLSA-N 0 0 464.397 4.719 20 30 JJEDRN C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 ZINC001435004616 1064419692 /nfs/dbraw/zinc/41/96/92/1064419692.db2.gz JCZNPLKYVHVTMH-UHFFFAOYSA-N 0 0 452.601 4.653 20 30 JJEDRN Cc1ncc(Br)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 ZINC001435012538 1064428639 /nfs/dbraw/zinc/42/86/39/1064428639.db2.gz FZFXWEMLNVVMDW-UHFFFAOYSA-N 0 0 457.715 4.904 20 30 JJEDRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CO1 ZINC001435023081 1064440380 /nfs/dbraw/zinc/44/03/80/1064440380.db2.gz CVVNOHWASDSBMW-NFBKMPQASA-N 0 0 450.535 4.603 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC001435029505 1064447319 /nfs/dbraw/zinc/44/73/19/1064447319.db2.gz QTTJTRBVCWVTGO-MSOLQXFVSA-N 0 0 450.377 4.530 20 30 JJEDRN CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359795636 1064454661 /nfs/dbraw/zinc/45/46/61/1064454661.db2.gz LMRPFZVQBMIZAL-UHFFFAOYSA-N 0 0 496.541 4.563 20 30 JJEDRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001435061227 1064479731 /nfs/dbraw/zinc/47/97/31/1064479731.db2.gz QCIMJCVMLPWSTF-DEOSSOPVSA-N 0 0 457.555 4.600 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cc1OC ZINC001435063431 1064482588 /nfs/dbraw/zinc/48/25/88/1064482588.db2.gz BFMONDTYBWMBGB-HROBKVSZSA-N 0 0 458.599 4.863 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cc1OC ZINC001435063439 1064482650 /nfs/dbraw/zinc/48/26/50/1064482650.db2.gz BFMONDTYBWMBGB-URHXZNPISA-N 0 0 458.599 4.863 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCOc1ncccc1Cl ZINC001359817990 1064501084 /nfs/dbraw/zinc/50/10/84/1064501084.db2.gz QGACJLKWMTUPLB-UHFFFAOYSA-N 0 0 481.000 4.523 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCSCC(F)(F)F ZINC001359817920 1064501168 /nfs/dbraw/zinc/50/11/68/1064501168.db2.gz OBUSTLWNMWPEMK-UHFFFAOYSA-N 0 0 467.561 4.692 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001359818316 1064501704 /nfs/dbraw/zinc/50/17/04/1064501704.db2.gz ZVIIXZAKNHMSSQ-RTWAWAEBSA-N 0 0 451.615 4.601 20 30 JJEDRN 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DHOYZBIVTKILRR-OAHLLOKOSA-N 0 0 458.609 4.824 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)cc1 ZINC001436175830 1065230249 /nfs/dbraw/zinc/23/02/49/1065230249.db2.gz JWEJBLLRCPVHTR-UHFFFAOYSA-N 0 0 453.420 4.857 20 30 JJEDRN N#Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)nc2ccccc12 ZINC001436179348 1065231998 /nfs/dbraw/zinc/23/19/98/1065231998.db2.gz LPAAHZRJANLTGR-OAHLLOKOSA-N 0 0 453.329 4.904 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001436179035 1065232028 /nfs/dbraw/zinc/23/20/28/1065232028.db2.gz HZWPRBOPPPJVCT-QFIPXVFZSA-N 0 0 455.518 4.662 20 30 JJEDRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cc(C#N)c3ccccc3n2)cc1 ZINC001436181588 1065233975 /nfs/dbraw/zinc/23/39/75/1065233975.db2.gz IWTAHYYKKLCCCF-UHFFFAOYSA-N 0 0 459.552 4.913 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001436183600 1065235659 /nfs/dbraw/zinc/23/56/59/1065235659.db2.gz WODWYSSFSTWLGG-QFIPXVFZSA-N 0 0 455.518 4.662 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)Nc1cc(F)c(Br)c(Cl)c1)c1ccccc1 ZINC001436186312 1065236759 /nfs/dbraw/zinc/23/67/59/1065236759.db2.gz DJZRQGQKPMTSBN-UHFFFAOYSA-N 0 0 452.711 4.907 20 30 JJEDRN CC(C)OCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001360379534 1065241104 /nfs/dbraw/zinc/24/11/04/1065241104.db2.gz ANIWJVCRVCRWAA-RPBOFIJWSA-N 0 0 465.642 4.708 20 30 JJEDRN CC(C)OCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001360382320 1065243525 /nfs/dbraw/zinc/24/35/25/1065243525.db2.gz MTFSCUCACRELIQ-TUACAJSNSA-N 0 0 451.615 4.949 20 30 JJEDRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC001436208897 1065251957 /nfs/dbraw/zinc/25/19/57/1065251957.db2.gz DRWQUWHGSMLVSV-DGWZTRNLSA-N 0 0 457.618 4.853 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 ZINC001436212878 1065255423 /nfs/dbraw/zinc/25/54/23/1065255423.db2.gz JKKKXONMSTZYGY-UHFFFAOYSA-N 0 0 457.640 4.772 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001436212957 1065255469 /nfs/dbraw/zinc/25/54/69/1065255469.db2.gz KLSCZNYXFYVIRI-UHFFFAOYSA-N 0 0 451.592 4.656 20 30 JJEDRN CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001360393079 1065256489 /nfs/dbraw/zinc/25/64/89/1065256489.db2.gz AQFYDXIYVHUHNW-AUSIDOKSSA-N 0 0 481.622 4.572 20 30 JJEDRN CC(C)(C)c1cc(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)n(-c2ccc(C#N)cc2)n1 ZINC001436221506 1065261765 /nfs/dbraw/zinc/26/17/65/1065261765.db2.gz HUUNFJCKANIESF-UHFFFAOYSA-N 0 0 456.472 4.845 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001360401444 1065265523 /nfs/dbraw/zinc/26/55/23/1065265523.db2.gz ZZYZESGUVDYMRQ-ICSRJNTNSA-N 0 0 453.539 4.544 20 30 JJEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001436261094 1065279326 /nfs/dbraw/zinc/27/93/26/1065279326.db2.gz ICVRHDIKBJJQRE-QFIPXVFZSA-N 0 0 456.571 4.918 20 30 JJEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C2(CCCCC2)C1 ZINC001360417150 1065280876 /nfs/dbraw/zinc/28/08/76/1065280876.db2.gz IHYYENMLOCPGPC-UHFFFAOYSA-N 0 0 450.539 4.609 20 30 JJEDRN CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360417540 1065282084 /nfs/dbraw/zinc/28/20/84/1065282084.db2.gz YEBMYWVMZGCAJP-GHTZIAJQSA-N 0 0 484.670 4.698 20 30 JJEDRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001436271504 1065282400 /nfs/dbraw/zinc/28/24/00/1065282400.db2.gz OOJVZXSBLQTFJU-YGRLFVJLSA-N 0 0 451.333 4.513 20 30 JJEDRN CC(C)SCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001360424681 1065293040 /nfs/dbraw/zinc/29/30/40/1065293040.db2.gz FQAWMLDIXDVAPW-OYRHEFFESA-N 0 0 484.670 4.698 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC001436344637 1065299450 /nfs/dbraw/zinc/29/94/50/1065299450.db2.gz XTJWLRBVAYYDOY-INIZCTEOSA-N 0 0 452.121 4.569 20 30 JJEDRN CC(C)(C)Oc1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1C#N ZINC001436355595 1065301421 /nfs/dbraw/zinc/30/14/21/1065301421.db2.gz UVPIPJOTHFVEPG-UHFFFAOYSA-N 0 0 459.344 4.648 20 30 JJEDRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc1 ZINC001436350763 1065301464 /nfs/dbraw/zinc/30/14/64/1065301464.db2.gz FGNHFBFFTKKRPQ-UHFFFAOYSA-N 0 0 457.596 4.799 20 30 JJEDRN N#Cc1ccc2c(c1)CCCN2C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001436401050 1065310482 /nfs/dbraw/zinc/31/04/82/1065310482.db2.gz MNCPBMIRUPYMIF-UHFFFAOYSA-N 0 0 450.292 4.759 20 30 JJEDRN Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1sc2ccc(Br)cc2c1C ZINC001436417866 1065313291 /nfs/dbraw/zinc/31/32/91/1065313291.db2.gz ZMMNSFWIIKPIJR-UHFFFAOYSA-N 0 0 452.337 4.985 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCc1cccs1 ZINC001545898407 1065321570 /nfs/dbraw/zinc/32/15/70/1065321570.db2.gz UAILGGAYUGTLAF-JOCHJYFZSA-N 0 0 490.677 4.831 20 30 JJEDRN C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl ZINC001436487504 1065332706 /nfs/dbraw/zinc/33/27/06/1065332706.db2.gz NKIOISYKGJVLQG-UHFFFAOYSA-N 0 0 450.988 4.506 20 30 JJEDRN CCOc1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)C)C4)CC2=O)cc1 ZINC001436526064 1065344057 /nfs/dbraw/zinc/34/40/57/1065344057.db2.gz RWESQBREYPMOSI-IAGOWNOFSA-N 0 0 451.592 4.771 20 30 JJEDRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360454270 1065351539 /nfs/dbraw/zinc/35/15/39/1065351539.db2.gz GPYMDDXOPUVMIE-HNNXBMFYSA-N 0 0 482.470 4.528 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)NC(C)(C)Cc1ccc(Br)c(C)c1 ZINC001436554441 1065358688 /nfs/dbraw/zinc/35/86/88/1065358688.db2.gz HAFGRDAHNTVIQG-UHFFFAOYSA-N 0 0 459.384 4.934 20 30 JJEDRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360460862 1065364115 /nfs/dbraw/zinc/36/41/15/1065364115.db2.gz IWOITJAMMUSVGF-OAHLLOKOSA-N 0 0 498.538 4.997 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1CCCCNC(=O)OC(C)(C)C ZINC001360467940 1065382983 /nfs/dbraw/zinc/38/29/83/1065382983.db2.gz USIQVQLCZKROEU-INIZCTEOSA-N 0 0 491.434 4.751 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCSc1ccccc1 ZINC001360469328 1065384740 /nfs/dbraw/zinc/38/47/40/1065384740.db2.gz AKLMPVVAEPCQML-MRXNPFEDSA-N 0 0 473.444 4.967 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360469551 1065385418 /nfs/dbraw/zinc/38/54/18/1065385418.db2.gz DQWBUTCNMFPVQZ-HNNXBMFYSA-N 0 0 466.471 4.536 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOC[C@@H]1CCCO1 ZINC001360469891 1065386156 /nfs/dbraw/zinc/38/61/56/1065386156.db2.gz JBWQUGKXCTXXBB-QUCCMNQESA-N 0 0 457.644 4.600 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc2c(c1)CCCN2C ZINC001360470087 1065386696 /nfs/dbraw/zinc/38/66/96/1065386696.db2.gz LJKHQVXMZDTBNW-OAHLLOKOSA-N 0 0 485.455 4.938 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1csc(-c2ccco2)n1 ZINC001360470183 1065387628 /nfs/dbraw/zinc/38/76/28/1065387628.db2.gz NBNVUUYYWLNOTI-GFCCVEGCSA-N 0 0 472.372 4.539 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(OCC2CC2)nc1 ZINC001360470191 1065387645 /nfs/dbraw/zinc/38/76/45/1065387645.db2.gz NJVQNPBXFZQPCC-INIZCTEOSA-N 0 0 481.398 4.678 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1coc(-c2cccs2)n1 ZINC001360470432 1065388358 /nfs/dbraw/zinc/38/83/58/1065388358.db2.gz PXWHAPCKHWMWQP-ZDUSSCGKSA-N 0 0 486.399 4.549 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccccc1OC(F)F ZINC001360470696 1065388826 /nfs/dbraw/zinc/38/88/26/1065388826.db2.gz TVKVQWXPIQWHFS-CQSZACIVSA-N 0 0 493.356 4.629 20 30 JJEDRN CN(CCn1cc(Br)cn1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC001436595503 1065389406 /nfs/dbraw/zinc/38/94/06/1065389406.db2.gz DJKLANNLKJHSKR-UHFFFAOYSA-N 0 0 459.731 4.735 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2)CCOCC1 ZINC001360470782 1065389791 /nfs/dbraw/zinc/38/97/91/1065389791.db2.gz VAWXVVPVQZBVIK-KRWDZBQOSA-N 0 0 483.414 4.522 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1CCc2ccccc21 ZINC001360471045 1065390371 /nfs/dbraw/zinc/39/03/71/1065390371.db2.gz ZROJQHOJGGGXCE-DOTOQJQBSA-N 0 0 453.388 4.894 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360471391 1065391525 /nfs/dbraw/zinc/39/15/25/1065391525.db2.gz HFOSMFBYNOGHPK-KRWDZBQOSA-N 0 0 463.586 4.535 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001360472073 1065392227 /nfs/dbraw/zinc/39/22/27/1065392227.db2.gz VMHZHFMXESFUNX-KRWDZBQOSA-N 0 0 495.509 4.810 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360474160 1065393473 /nfs/dbraw/zinc/39/34/73/1065393473.db2.gz IKXQRCVOAOOIOG-LBPRGKRZSA-N 0 0 476.894 4.619 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc32)n1CCCCn1cc(Br)cn1 ZINC001360474066 1065393496 /nfs/dbraw/zinc/39/34/96/1065393496.db2.gz GMYNCMRVDODVLE-MRXNPFEDSA-N 0 0 481.402 4.604 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360474818 1065394144 /nfs/dbraw/zinc/39/41/44/1065394144.db2.gz WFCGWGYEUULXRL-ZWKOTPCHSA-N 0 0 463.586 4.564 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(c2ccccn2)CCC1 ZINC001360475778 1065394515 /nfs/dbraw/zinc/39/45/15/1065394515.db2.gz DOVLWCFRKWWMEP-SFTDATJTSA-N 0 0 493.656 4.648 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCn2ccnc21 ZINC001360481229 1065400591 /nfs/dbraw/zinc/40/05/91/1065400591.db2.gz MXUGTVKPPUDJRE-JKSUJKDBSA-N 0 0 474.396 4.676 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001360480979 1065400675 /nfs/dbraw/zinc/40/06/75/1065400675.db2.gz JIGGKKIBEMPBFJ-PBHICJAKSA-N 0 0 480.357 4.793 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001360481329 1065401291 /nfs/dbraw/zinc/40/12/91/1065401291.db2.gz OMTFRNGVRUIFQB-AZUAARDMSA-N 0 0 498.603 4.524 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001360481330 1065401304 /nfs/dbraw/zinc/40/13/04/1065401304.db2.gz OMTFRNGVRUIFQB-ICSRJNTNSA-N 0 0 498.603 4.524 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(CCCc2ccccc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360481752 1065401356 /nfs/dbraw/zinc/40/13/56/1065401356.db2.gz VRAWMQOWYIWAPZ-OAHLLOKOSA-N 0 0 479.938 4.646 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[S@](=O)C(C)(C)C ZINC001360483145 1065402987 /nfs/dbraw/zinc/40/29/87/1065402987.db2.gz SGCOWRUCUOVZJM-WNNBVUDTSA-N 0 0 454.065 4.509 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001436641187 1065413147 /nfs/dbraw/zinc/41/31/47/1065413147.db2.gz FCLYDGULIDPCTR-DOTOQJQBSA-N 0 0 453.377 4.988 20 30 JJEDRN C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC001436645729 1065414899 /nfs/dbraw/zinc/41/48/99/1065414899.db2.gz UWHSJHWXSMFWPD-MOPGFXCFSA-N 0 0 450.432 4.901 20 30 JJEDRN 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COC(=O)[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccc2ccccc21 ZINC001439285193 1065811598 /nfs/dbraw/zinc/81/15/98/1065811598.db2.gz FQSQBPRRMSHAQA-AREMUKBSSA-N 0 0 450.494 4.935 20 30 JJEDRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CCCOC(F)F ZINC001360757927 1065821254 /nfs/dbraw/zinc/82/12/54/1065821254.db2.gz KEBLFOIKJBKHPV-HNNXBMFYSA-N 0 0 453.921 4.831 20 30 JJEDRN N#Cc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c(I)c1 ZINC001439395928 1065823711 /nfs/dbraw/zinc/82/37/11/1065823711.db2.gz HEALXBPWIGVWOY-UHFFFAOYSA-N 0 0 454.267 4.847 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccc(Cl)cc3Cl)C(F)(F)F)CC2=O)cc1 ZINC001439426626 1065826243 /nfs/dbraw/zinc/82/62/43/1065826243.db2.gz AMGVVAHDRVKZDW-XIKOKIGWSA-N 0 0 456.251 4.638 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](c3ccc(Cl)cc3Cl)C(F)(F)F)CC2=O)cc1 ZINC001439426619 1065826365 /nfs/dbraw/zinc/82/63/65/1065826365.db2.gz AMGVVAHDRVKZDW-SGTLLEGYSA-N 0 0 456.251 4.638 20 30 JJEDRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1Cc1ccc(C#N)o1 ZINC001360760335 1065831919 /nfs/dbraw/zinc/83/19/19/1065831919.db2.gz KJMJBOQDVRERLD-HOTGVXAUSA-N 0 0 455.946 4.588 20 30 JJEDRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)c1cccs1 ZINC001360761146 1065836237 /nfs/dbraw/zinc/83/62/37/1065836237.db2.gz ZOZBGGVFQXLWMY-APWZRJJASA-N 0 0 472.014 4.840 20 30 JJEDRN C#CCN(C(=O)CCOc1cccc(I)c1)[C@H]1CCCc2ccccc21 ZINC001439624109 1065849165 /nfs/dbraw/zinc/84/91/65/1065849165.db2.gz LIPKCDXAUBCZAN-NRFANRHFSA-N 0 0 459.327 4.600 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc3c(cncc3Br)s2)c1C ZINC001360766635 1065853187 /nfs/dbraw/zinc/85/31/87/1065853187.db2.gz ZYVMXAVSYYGPGG-UHFFFAOYSA-N 0 0 452.337 4.985 20 30 JJEDRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(C#N)cc3C3CC3)ccc2Cl)C1 ZINC001439665308 1065854523 /nfs/dbraw/zinc/85/45/23/1065854523.db2.gz WJBJIOKGPZKKHY-OAHLLOKOSA-N 0 0 457.983 4.762 20 30 JJEDRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360769410 1065861692 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/nfs/dbraw/zinc/87/62/93/1065876293.db2.gz GYVQUNLKWXXUME-DTORHVGOSA-N 0 0 455.317 4.686 20 30 JJEDRN O=C(CCCc1ccc(F)c(F)c1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439787531 1065876948 /nfs/dbraw/zinc/87/69/48/1065876948.db2.gz IPCYFASVTXNYFR-GHMZBOCLSA-N 0 0 451.304 4.917 20 30 JJEDRN CC1(C)C[C@H](C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc2O1 ZINC001439787918 1065876985 /nfs/dbraw/zinc/87/69/85/1065876985.db2.gz JHXHAIXTYISHKQ-YNEHKIRRSA-N 0 0 457.361 4.961 20 30 JJEDRN CCc1noc([C@@H]2CC[C@H](NC(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)C2)n1 ZINC001439852037 1065886382 /nfs/dbraw/zinc/88/63/82/1065886382.db2.gz DSRJJNMDNTVYEF-YPMHNXCESA-N 0 0 453.358 4.988 20 30 JJEDRN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360779538 1065887105 /nfs/dbraw/zinc/88/71/05/1065887105.db2.gz ZKRHTVQFVWZLGS-JZJXAQOMSA-N 0 0 485.604 4.516 20 30 JJEDRN CC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 ZINC001360783196 1065894589 /nfs/dbraw/zinc/89/45/89/1065894589.db2.gz FGVALPYNULPDQP-JOCHJYFZSA-N 0 0 476.394 4.793 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC=CO2)C1 ZINC001360783389 1065895270 /nfs/dbraw/zinc/89/52/70/1065895270.db2.gz IWTIWRHTVPPEGA-IERDGZPVSA-N 0 0 460.351 4.669 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCCCS(C)(=O)=O)C1 ZINC001360783446 1065895309 /nfs/dbraw/zinc/89/53/09/1065895309.db2.gz KIROPCXADLLLQS-NRFANRHFSA-N 0 0 484.453 4.597 20 30 JJEDRN C=CC[S@](=O)(=NC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001439952599 1065895878 /nfs/dbraw/zinc/89/58/78/1065895878.db2.gz DREIWGBSTUXJQW-GFJKYASSSA-N 0 0 456.564 4.597 20 30 JJEDRN CC(C)(C)OC(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360783526 1065895969 /nfs/dbraw/zinc/89/59/69/1065895969.db2.gz LUPSAVBTAIHJGE-HSZRJFAPSA-N 0 0 476.984 4.782 20 30 JJEDRN CC(C)(C)OC(=O)NCCCCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001360783779 1065897100 /nfs/dbraw/zinc/89/71/00/1065897100.db2.gz RNYUOVLSIDLSCJ-MHZLTWQESA-N 0 0 489.624 4.928 20 30 JJEDRN CC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 ZINC001360783864 1065897187 /nfs/dbraw/zinc/89/71/87/1065897187.db2.gz STYOJJWLYINSDA-JOCHJYFZSA-N 0 0 458.404 4.654 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2ccccc2F)CC1 ZINC001360784380 1065897838 /nfs/dbraw/zinc/89/78/38/1065897838.db2.gz DPBZUIMCPDUKNG-HHHXNRCGSA-N 0 0 496.631 4.904 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCOC(F)(F)F)C1 ZINC001360784070 1065897872 /nfs/dbraw/zinc/89/78/72/1065897872.db2.gz XSEWVFAMJZFKDZ-GOSISDBHSA-N 0 0 472.309 4.764 20 30 JJEDRN C#Cc1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC001439971362 1065899251 /nfs/dbraw/zinc/89/92/51/1065899251.db2.gz NUSNNWUNMHPHQM-AHKZPQOWSA-N 0 0 454.526 4.808 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001360787781 1065901052 /nfs/dbraw/zinc/90/10/52/1065901052.db2.gz CECPKUSQPLGAMN-QHCPKHFHSA-N 0 0 454.500 4.655 20 30 JJEDRN CC(F)(F)c1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)c1 ZINC001360788251 1065902612 /nfs/dbraw/zinc/90/26/12/1065902612.db2.gz OPPPWLOXDKVTAN-QHCPKHFHSA-N 0 0 484.576 4.560 20 30 JJEDRN CC(C)(C)OC(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001360788877 1065903625 /nfs/dbraw/zinc/90/36/25/1065903625.db2.gz HVVNODGOWPSXMM-UHFFFAOYSA-N 0 0 458.994 4.643 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001360789038 1065903656 /nfs/dbraw/zinc/90/36/56/1065903656.db2.gz OWSHAEYRHWVGOM-UHFFFAOYSA-N 0 0 457.365 4.856 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccccc3Br)n2CCCc2nccs2)CC1 ZINC001360788988 1065903678 /nfs/dbraw/zinc/90/36/78/1065903678.db2.gz MYDCXWURQXADKP-UHFFFAOYSA-N 0 0 471.428 4.927 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC=CO2)CC1 ZINC001360789128 1065904080 /nfs/dbraw/zinc/90/40/80/1065904080.db2.gz SNXMVKDUNPQZJI-INIZCTEOSA-N 0 0 460.351 4.669 20 30 JJEDRN CC(C)(C)c1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C)(C#N)CC2)cs1 ZINC001360789090 1065904089 /nfs/dbraw/zinc/90/40/89/1065904089.db2.gz RJLOFLCPTVNWCL-UHFFFAOYSA-N 0 0 459.623 4.944 20 30 JJEDRN CC(C)(C)Oc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)cn1 ZINC001360791988 1065906436 /nfs/dbraw/zinc/90/64/36/1065906436.db2.gz BZCAQBZEBZTMIE-UHFFFAOYSA-N 0 0 478.572 4.747 20 30 JJEDRN CC(C)(C)c1csc(Cn2c(COc3ccccc3F)nnc2N2CCC(C)(C#N)CC2)n1 ZINC001360792606 1065907105 /nfs/dbraw/zinc/90/71/05/1065907105.db2.gz WKEMCTRMTLCMKY-UHFFFAOYSA-N 0 0 468.602 4.929 20 30 JJEDRN CC1(C#N)CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001360792552 1065907209 /nfs/dbraw/zinc/90/72/09/1065907209.db2.gz UXBLGHUAQRAWBD-UHFFFAOYSA-N 0 0 498.553 4.968 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N2CC[C@H](CCOC)c3ccccc32)nnc1-c1ccco1 ZINC001440103314 1065912193 /nfs/dbraw/zinc/91/21/93/1065912193.db2.gz XUWJQVICMDPLCV-GOSISDBHSA-N 0 0 452.580 4.763 20 30 JJEDRN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)OC(C)(C)C ZINC001440140765 1065915427 /nfs/dbraw/zinc/91/54/27/1065915427.db2.gz JDPQHOCEWINKNI-HNNXBMFYSA-N 0 0 450.564 4.793 20 30 JJEDRN CC1(C)CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360805693 1065917798 /nfs/dbraw/zinc/91/77/98/1065917798.db2.gz XESNADDBFXCZRP-LJQANCHMSA-N 0 0 478.538 4.665 20 30 JJEDRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1C ZINC001440155231 1065917899 /nfs/dbraw/zinc/91/78/99/1065917899.db2.gz MPHYXBVBSBQVFM-DEOSSOPVSA-N 0 0 457.530 4.630 20 30 JJEDRN N#CCOc1ccc(CC(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 ZINC001360810898 1065924226 /nfs/dbraw/zinc/92/42/26/1065924226.db2.gz ZKODPGMYFOTUKR-UHFFFAOYSA-N 0 0 456.542 4.533 20 30 JJEDRN CC1(C)CCO[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(CC#N)CC1 ZINC001360817879 1065930990 /nfs/dbraw/zinc/93/09/90/1065930990.db2.gz ZMTZBBOHWHVLQS-IBGZPJMESA-N 0 0 458.404 4.653 20 30 JJEDRN CC1(C)CCO[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(CC#N)CC1 ZINC001360817880 1065931044 /nfs/dbraw/zinc/93/10/44/1065931044.db2.gz ZMTZBBOHWHVLQS-LJQANCHMSA-N 0 0 458.404 4.653 20 30 JJEDRN N#Cc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1Br ZINC001440399303 1065938392 /nfs/dbraw/zinc/93/83/92/1065938392.db2.gz WXTLKMAPSBUXFF-HNNXBMFYSA-N 0 0 456.365 4.715 20 30 JJEDRN CC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(CC#N)CC2)CCOCC1 ZINC001360837291 1065948679 /nfs/dbraw/zinc/94/86/79/1065948679.db2.gz PGZBAOJFKSGPHY-UHFFFAOYSA-N 0 0 476.394 4.793 20 30 JJEDRN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001440555116 1065949049 /nfs/dbraw/zinc/94/90/49/1065949049.db2.gz IBJQZKJDUXPGBJ-CQSZACIVSA-N 0 0 451.338 4.888 20 30 JJEDRN CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001440555070 1065949067 /nfs/dbraw/zinc/94/90/67/1065949067.db2.gz IBJQZKJDUXPGBJ-AWEZNQCLSA-N 0 0 451.338 4.888 20 30 JJEDRN Cc1sc(C)c(Cn2c(-c3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)c1Br ZINC001360849001 1065958304 /nfs/dbraw/zinc/95/83/04/1065958304.db2.gz LFVYLKRGQGYFCE-NRFANRHFSA-N 0 0 471.428 4.959 20 30 JJEDRN Cc1sc(C)c(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)c1Br ZINC001360849135 1065958720 /nfs/dbraw/zinc/95/87/20/1065958720.db2.gz OMFKWIFYEMUUGT-MRXNPFEDSA-N 0 0 478.460 4.791 20 30 JJEDRN CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 ZINC001360851614 1065964972 /nfs/dbraw/zinc/96/49/72/1065964972.db2.gz OFMXEVYCSSPBAB-UHFFFAOYSA-N 0 0 456.388 4.512 20 30 JJEDRN CCCCOc1c(Cl)cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1OCC ZINC001440681746 1065965456 /nfs/dbraw/zinc/96/54/56/1065965456.db2.gz NODYAIMKRQDSON-JOCHJYFZSA-N 0 0 455.986 4.940 20 30 JJEDRN CC[C@@H](Cc1ccccc1Br)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001440683524 1065965735 /nfs/dbraw/zinc/96/57/35/1065965735.db2.gz KLDVJLGYSGETJF-JTSKRJEESA-N 0 0 458.375 4.566 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC001360852790 1065967847 /nfs/dbraw/zinc/96/78/47/1065967847.db2.gz POTYRIBBNNLKTL-UHFFFAOYSA-N 0 0 456.976 4.567 20 30 JJEDRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001440736715 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473.625 4.674 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2CCO[C@@H](C)C2)c1C ZINC001360873179 1066008321 /nfs/dbraw/zinc/00/83/21/1066008321.db2.gz FXEJKCAOHYBGOP-ONFVETCGSA-N 0 0 455.578 4.682 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2CCCCO2)c1C ZINC001360873499 1066009261 /nfs/dbraw/zinc/00/92/61/1066009261.db2.gz HWYFNWDFKIGZFX-TYBLODHISA-N 0 0 455.578 4.826 20 30 JJEDRN COc1ccc(Cl)cc1CN1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC001441170396 1066010936 /nfs/dbraw/zinc/01/09/36/1066010936.db2.gz FEWIGKLTQLZVRV-UHFFFAOYSA-N 0 0 450.970 4.565 20 30 JJEDRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cc(C(C)(C)C)no2)c1C ZINC001360873934 1066011478 /nfs/dbraw/zinc/01/14/78/1066011478.db2.gz LNEPDLAJFHCSQL-AVRWGWEMSA-N 0 0 466.561 4.811 20 30 JJEDRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CCCOCC2CCOCC2)c1C ZINC001360874289 1066013137 /nfs/dbraw/zinc/01/31/37/1066013137.db2.gz NTDXXKJLNUQVLY-QHCPKHFHSA-N 0 0 495.668 4.998 20 30 JJEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001441201481 1066015212 /nfs/dbraw/zinc/01/52/12/1066015212.db2.gz WOQCPEUAPZGNNP-LJQANCHMSA-N 0 0 450.539 4.886 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)c1C ZINC001360875873 1066019925 /nfs/dbraw/zinc/01/99/25/1066019925.db2.gz ZZRBGLQNMZGUON-PRVBGKCFSA-N 0 0 494.684 4.522 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001441284030 1066022829 /nfs/dbraw/zinc/02/28/29/1066022829.db2.gz HISJTOJHZOITRN-FUHWJXTLSA-N 0 0 454.995 4.943 20 30 JJEDRN CS(=O)(=O)Nc1cccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 ZINC001441338536 1066030455 /nfs/dbraw/zinc/03/04/55/1066030455.db2.gz PMXOJBJPULYJRF-NRFANRHFSA-N 0 0 453.951 4.548 20 30 JJEDRN Cc1ccc(C)c(Oc2ccc(CNC(=O)Cc3ccc(Br)cc3C#N)cn2)c1 ZINC001441355389 1066033258 /nfs/dbraw/zinc/03/32/58/1066033258.db2.gz AYBCRAZDTHQTBH-UHFFFAOYSA-N 0 0 450.336 4.984 20 30 JJEDRN Cc1nc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(C)(C)C)CC2)oc1C ZINC001360894534 1066046765 /nfs/dbraw/zinc/04/67/65/1066046765.db2.gz PYIYUDIZCJUFCJ-UHFFFAOYSA-N 0 0 461.614 4.570 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001441538285 1066049225 /nfs/dbraw/zinc/04/92/25/1066049225.db2.gz WIIQRJVPEVBIDF-UHFFFAOYSA-N 0 0 457.490 4.690 20 30 JJEDRN N#CCCn1ccc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 ZINC001360897788 1066050545 /nfs/dbraw/zinc/05/05/45/1066050545.db2.gz OLBSSAUSWFHLGS-UHFFFAOYSA-N 0 0 450.955 4.579 20 30 JJEDRN C[C@H]1CN(c2ccc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)cc2F)C[C@H](C)O1 ZINC001441555031 1066050773 /nfs/dbraw/zinc/05/07/73/1066050773.db2.gz ABYVANJIRMTPIS-ROUUACIJSA-N 0 0 459.525 4.570 20 30 JJEDRN Cc1nc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)sc1C ZINC001360901013 1066054232 /nfs/dbraw/zinc/05/42/32/1066054232.db2.gz CCGAQUYEHSGPLY-UQBPGWFLSA-N 0 0 499.685 4.796 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(F)c(NC(=O)OC(C)(C)C)c3)n[nH]2)c1C ZINC001441653901 1066058133 /nfs/dbraw/zinc/05/81/33/1066058133.db2.gz ZMYFDJVVKPZUGA-UHFFFAOYSA-N 0 0 454.506 4.814 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@@H](C)CC#N ZINC001360908014 1066063141 /nfs/dbraw/zinc/06/31/41/1066063141.db2.gz XUUBPPMFYJPLOH-INIZCTEOSA-N 0 0 460.611 4.780 20 30 JJEDRN COc1cccc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cnn21 ZINC001441723910 1066064274 /nfs/dbraw/zinc/06/42/74/1066064274.db2.gz AIGDOEOBRUTWLP-UHFFFAOYSA-N 0 0 457.437 4.533 20 30 JJEDRN CCCCNc1ccccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC001441735732 1066065328 /nfs/dbraw/zinc/06/53/28/1066065328.db2.gz JGBJRGZPDVYCGT-SLEBQGDGSA-N 0 0 456.612 4.744 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360911489 1066068571 /nfs/dbraw/zinc/06/85/71/1066068571.db2.gz NBJGMJRMRAJWFZ-JOCHJYFZSA-N 0 0 486.393 4.641 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H](C)CC#N ZINC001360911904 1066069027 /nfs/dbraw/zinc/06/90/27/1066069027.db2.gz ZZFCWCQYWKESBX-ZDUSSCGKSA-N 0 0 476.810 4.764 20 30 JJEDRN Cc1nc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)sc1Cc1ccc(F)cc1 ZINC001441790644 1066070002 /nfs/dbraw/zinc/07/00/02/1066070002.db2.gz XXLSKZHRGOXUHR-UHFFFAOYSA-N 0 0 457.571 4.770 20 30 JJEDRN Cc1ccsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360920575 1066077142 /nfs/dbraw/zinc/07/71/42/1066077142.db2.gz XVBBQRMYOZKPQH-FQEVSTJZSA-N 0 0 490.677 4.807 20 30 JJEDRN Cc1ncsc1CCn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CC1CC1 ZINC001360920626 1066077287 /nfs/dbraw/zinc/07/72/87/1066077287.db2.gz ZKAMFCWMHZPLQU-UHFFFAOYSA-N 0 0 489.418 4.984 20 30 JJEDRN Cc1ncsc1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1 ZINC001360922918 1066078253 /nfs/dbraw/zinc/07/82/53/1066078253.db2.gz GOVJMKCZPIURFH-HXUWFJFHSA-N 0 0 499.685 4.530 20 30 JJEDRN Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 ZINC001441898229 1066080231 /nfs/dbraw/zinc/08/02/31/1066080231.db2.gz WQQUNCAGFQXGCE-HPNDGRJYSA-N 0 0 452.580 4.630 20 30 JJEDRN Cc1ncsc1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N ZINC001360925777 1066081927 /nfs/dbraw/zinc/08/19/27/1066081927.db2.gz BCFBYNZNRKXBDE-ZDUSSCGKSA-N 0 0 465.410 4.767 20 30 JJEDRN Cc1oc2ccccc2c1Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N ZINC001360958742 1066115658 /nfs/dbraw/zinc/11/56/58/1066115658.db2.gz SSVLWNVEAOXWBV-AWEZNQCLSA-N 0 0 467.371 4.745 20 30 JJEDRN Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001360959452 1066116775 /nfs/dbraw/zinc/11/67/75/1066116775.db2.gz CMRCXCCHSFEYJY-LJQANCHMSA-N 0 0 476.650 4.612 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)cc2C)c1 ZINC001545949067 1066126209 /nfs/dbraw/zinc/12/62/09/1066126209.db2.gz FATOUVAKNUUTHB-UHFFFAOYSA-N 0 0 456.951 4.988 20 30 JJEDRN N#Cc1ccc(NCC(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC001442450715 1066127257 /nfs/dbraw/zinc/12/72/57/1066127257.db2.gz RBZFDTRUVNUJHU-UHFFFAOYSA-N 0 0 455.949 4.835 20 30 JJEDRN C=C(Br)CNC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001442592595 1066141822 /nfs/dbraw/zinc/14/18/22/1066141822.db2.gz LXGAACFGUMSXGU-AWEZNQCLSA-N 0 0 452.176 4.926 20 30 JJEDRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccsc2)nnc1N(C)C[C@H](C)C#N ZINC001360984064 1066144937 /nfs/dbraw/zinc/14/49/37/1066144937.db2.gz MBABPRJPSSSZST-OAHLLOKOSA-N 0 0 457.003 4.517 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1cn[nH]c1 ZINC001360990149 1066166267 /nfs/dbraw/zinc/16/62/67/1066166267.db2.gz QIBSCCXKRNXUKQ-GOSISDBHSA-N 0 0 468.005 4.784 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)c(C)o1 ZINC001360997874 1066176828 /nfs/dbraw/zinc/17/68/28/1066176828.db2.gz PNCLFVAWPAQFMQ-BJKOFHAPSA-N 0 0 453.974 4.846 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)c(C)o1 ZINC001360997877 1066176832 /nfs/dbraw/zinc/17/68/32/1066176832.db2.gz PNCLFVAWPAQFMQ-ZEQRLZLVSA-N 0 0 453.974 4.846 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H](C)c2nccs2)c(C)o1 ZINC001360998092 1066177019 /nfs/dbraw/zinc/17/70/19/1066177019.db2.gz UKNZDHNJBHJMJC-IVCQMTBJSA-N 0 0 476.606 4.631 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)c(C)o1 ZINC001360998242 1066177481 /nfs/dbraw/zinc/17/74/81/1066177481.db2.gz XSJURFBZLLQFDU-JSRBVGTNSA-N 0 0 481.572 4.805 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c([C@H]3COc4ccccc4O3)nnc2N(CCC#N)CCC(C)C)c(C)o1 ZINC001361000029 1066178393 /nfs/dbraw/zinc/17/83/93/1066178393.db2.gz RDOMKDBILDGDIO-SQHAQQRYSA-N 0 0 493.608 4.674 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c([C@@H]3COc4ccccc4O3)nnc2N(CCC#N)CCC(C)C)c(C)o1 ZINC001361000026 1066178442 /nfs/dbraw/zinc/17/84/42/1066178442.db2.gz RDOMKDBILDGDIO-IGKIAQTJSA-N 0 0 493.608 4.674 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)c(C)o1 ZINC001361000716 1066178817 /nfs/dbraw/zinc/17/88/17/1066178817.db2.gz YVFBPIRSHIAUNO-QHCPKHFHSA-N 0 0 473.499 4.713 20 30 JJEDRN Cc1cc(C(F)(F)F)ccc1Cn1c(N(CCC#N)CC2CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001361008728 1066190558 /nfs/dbraw/zinc/19/05/58/1066190558.db2.gz QVHCFXGCBSCKMX-XMMPIXPASA-N 0 0 491.558 4.824 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)c1C ZINC001361016798 1066205109 /nfs/dbraw/zinc/20/51/09/1066205109.db2.gz UXNHHISHJTZFDQ-UHFFFAOYSA-N 0 0 450.424 4.818 20 30 JJEDRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC001453958940 1066225451 /nfs/dbraw/zinc/22/54/51/1066225451.db2.gz WNWXTMIRZUMTET-FQEVSTJZSA-N 0 0 453.292 4.737 20 30 JJEDRN CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC001453973274 1066227528 /nfs/dbraw/zinc/22/75/28/1066227528.db2.gz PAYZKAAQPUGBPK-YADHBBJMSA-N 0 0 459.631 4.638 20 30 JJEDRN N#Cc1cccc2[nH]cc(C(=O)N3CCc4cc(Br)c(Br)cc4C3)c21 ZINC001454034474 1066237554 /nfs/dbraw/zinc/23/75/54/1066237554.db2.gz BHPANAMRGYDYLA-UHFFFAOYSA-N 0 0 459.141 4.763 20 30 JJEDRN Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C ZINC001442964309 1066247017 /nfs/dbraw/zinc/24/70/17/1066247017.db2.gz URNLUISBCRUDDC-DEOSSOPVSA-N 0 0 458.562 4.541 20 30 JJEDRN COc1cc(CCCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc(OC)c1O ZINC001454110490 1066247193 /nfs/dbraw/zinc/24/71/93/1066247193.db2.gz YIIOPRDHENFAGT-UHFFFAOYSA-N 0 0 450.466 4.575 20 30 JJEDRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)c2ccccc21 ZINC001454192925 1066252582 /nfs/dbraw/zinc/25/25/82/1066252582.db2.gz JRXCRARFGALMNN-LJQANCHMSA-N 0 0 455.352 4.725 20 30 JJEDRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001443058941 1066261042 /nfs/dbraw/zinc/26/10/42/1066261042.db2.gz NGGIMZYFWNDUHS-LJQANCHMSA-N 0 0 454.977 4.518 20 30 JJEDRN Cc1cc(C)cc(OCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@@H](C)C#N)c1 ZINC001361041631 1066264124 /nfs/dbraw/zinc/26/41/24/1066264124.db2.gz FDAMKZNENKFZKR-VXKWHMMOSA-N 0 0 496.656 4.684 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(=O)N(C)C)CCCC2)c(C)n1-c1ccccc1 ZINC001361045019 1066268791 /nfs/dbraw/zinc/26/87/91/1066268791.db2.gz LFJAIGDGIABIIP-FQEVSTJZSA-N 0 0 487.652 4.740 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2cccs2)c(C)n1-c1ccccc1 ZINC001361045465 1066270410 /nfs/dbraw/zinc/27/04/10/1066270410.db2.gz YDQIXKMNMMSWIY-GOSISDBHSA-N 0 0 487.633 4.583 20 30 JJEDRN Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccnc(OC(F)F)c2)c(C)n1-c1ccccc1 ZINC001361045787 1066271928 /nfs/dbraw/zinc/27/19/28/1066271928.db2.gz JXXLYVJUCFIPGI-QGZVFWFLSA-N 0 0 491.546 4.993 20 30 JJEDRN CC1(C(=O)NCCCc2nc3c(s2)CCCC3)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001443140807 1066272324 /nfs/dbraw/zinc/27/23/24/1066272324.db2.gz UGKSAZZAPTZGAQ-UHFFFAOYSA-N 0 0 457.043 4.902 20 30 JJEDRN Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)NC(=O)OC(C)(C)C)c(C)n1-c1ccccc1 ZINC001361045989 1066273072 /nfs/dbraw/zinc/27/30/72/1066273072.db2.gz QTGASSSNIMCOFT-RBUKOAKNSA-N 0 0 491.640 4.862 20 30 JJEDRN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC001443145438 1066273190 /nfs/dbraw/zinc/27/31/90/1066273190.db2.gz WGEOGQDHNHKIMF-IZZNHLLZSA-N 0 0 453.542 4.616 20 30 JJEDRN N#Cc1ccnc(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1 ZINC001443162672 1066275820 /nfs/dbraw/zinc/27/58/20/1066275820.db2.gz OKVUFVOOYNOXBP-UHFFFAOYSA-N 0 0 451.357 4.807 20 30 JJEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)cc1C ZINC001454442995 1066283030 /nfs/dbraw/zinc/28/30/30/1066283030.db2.gz YAPIDJOOUGOFGH-UHFFFAOYSA-N 0 0 455.877 4.711 20 30 JJEDRN Cc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN(C)CC(F)(F)F)c(C)n1-c1ccccc1 ZINC001361049713 1066283181 /nfs/dbraw/zinc/28/31/81/1066283181.db2.gz NJARTZBHWZIUOY-VWLOTQADSA-N 0 0 499.585 4.977 20 30 JJEDRN CCON(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H](C)c1cccc(Br)c1 ZINC001454545108 1066299221 /nfs/dbraw/zinc/29/92/21/1066299221.db2.gz VHSJDYURZBASIA-INIZCTEOSA-N 0 0 458.356 4.971 20 30 JJEDRN CCCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1ccc(OC)cc1 ZINC001443404277 1066306255 /nfs/dbraw/zinc/30/62/55/1066306255.db2.gz BXZJKYIRPYPTQU-REPSFRQQSA-N 0 0 455.599 4.830 20 30 JJEDRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1Cl ZINC001454677298 1066318749 /nfs/dbraw/zinc/31/87/49/1066318749.db2.gz FUWRIQVGVGESGI-DEOSSOPVSA-N 0 0 454.958 4.708 20 30 JJEDRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC001454675779 1066319006 /nfs/dbraw/zinc/31/90/06/1066319006.db2.gz DYLTWRWWSIOHIA-JOCHJYFZSA-N 0 0 451.324 4.505 20 30 JJEDRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)ccc1F ZINC001361084623 1066323128 /nfs/dbraw/zinc/32/31/28/1066323128.db2.gz SZQWZGVHCUQUHM-HFZDXXHNSA-N 0 0 482.604 4.976 20 30 JJEDRN N#C[C@H](NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC001443534394 1066325218 /nfs/dbraw/zinc/32/52/18/1066325218.db2.gz OZUUKEIDPJLIPK-IBGZPJMESA-N 0 0 455.338 4.843 20 30 JJEDRN N#C[C@@H](NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC001443534398 1066325443 /nfs/dbraw/zinc/32/54/43/1066325443.db2.gz OZUUKEIDPJLIPK-LJQANCHMSA-N 0 0 455.338 4.843 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545960289 1066331588 /nfs/dbraw/zinc/33/15/88/1066331588.db2.gz AHSFYEWQYFLBQN-UONOGXRCSA-N 0 0 497.463 4.668 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001361088881 1066333283 /nfs/dbraw/zinc/33/32/83/1066333283.db2.gz MRWHXLDQTLILFX-AREMUKBSSA-N 0 0 486.060 4.933 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001361088966 1066333939 /nfs/dbraw/zinc/33/39/39/1066333939.db2.gz NXQNICPTIAGZBE-VANUSSGQSA-N 0 0 486.060 4.933 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1nccnc1C ZINC001361089540 1066336171 /nfs/dbraw/zinc/33/61/71/1066336171.db2.gz WXVWVEAAXPRBIF-SANMLTNESA-N 0 0 494.043 4.723 20 30 JJEDRN N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC001454881774 1066338102 /nfs/dbraw/zinc/33/81/02/1066338102.db2.gz ZBSMZVGLDAMYEJ-UHFFFAOYSA-N 0 0 459.399 4.818 20 30 JJEDRN CC[C@H](C)[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)c1ccccc1 ZINC001443671706 1066347192 /nfs/dbraw/zinc/34/71/92/1066347192.db2.gz UUTHAQOOBVDHQG-OFAXGOBFSA-N 0 0 454.412 4.988 20 30 JJEDRN COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1C#N ZINC001454981847 1066349570 /nfs/dbraw/zinc/34/95/70/1066349570.db2.gz KSNCINDMZPWFMG-UHFFFAOYSA-N 0 0 454.486 4.689 20 30 JJEDRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC001443698647 1066352883 /nfs/dbraw/zinc/35/28/83/1066352883.db2.gz HSPFBQDCNKAOIU-YTFSRNRJSA-N 0 0 452.396 4.720 20 30 JJEDRN O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccc2nncn2c1 ZINC001546069192 1066364801 /nfs/dbraw/zinc/36/48/01/1066364801.db2.gz GTAPFHQXSNECBN-ZDUSSCGKSA-N 0 0 456.268 4.800 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1)NC(=O)OC(C)(C)C ZINC001545962366 1066367922 /nfs/dbraw/zinc/36/79/22/1066367922.db2.gz BHFIGZUCDYOKIV-SFTDATJTSA-N 0 0 484.670 4.842 20 30 JJEDRN Cc1ccc(C(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(C)C)CC2)s1 ZINC001361116936 1066368187 /nfs/dbraw/zinc/36/81/87/1066368187.db2.gz USVRQSSFPADHTG-UHFFFAOYSA-N 0 0 462.623 4.585 20 30 JJEDRN CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001443828219 1066372862 /nfs/dbraw/zinc/37/28/62/1066372862.db2.gz YMFDQCNZSHUNAJ-QHCPKHFHSA-N 0 0 459.546 4.867 20 30 JJEDRN C=CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 ZINC001443937890 1066387048 /nfs/dbraw/zinc/38/70/48/1066387048.db2.gz QTYANJLSXLEBCL-JOCHJYFZSA-N 0 0 455.599 4.673 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001361128211 1066391490 /nfs/dbraw/zinc/39/14/90/1066391490.db2.gz VFOMBLRZDJGBMK-RPBOFIJWSA-N 0 0 483.613 4.700 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2CCCCO2)c1 ZINC001361128338 1066391904 /nfs/dbraw/zinc/39/19/04/1066391904.db2.gz WSHNEYPXLAJNOJ-CJFMBICVSA-N 0 0 455.578 4.690 20 30 JJEDRN COC(=O)[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cccc(C(F)(F)F)c1 ZINC001455455077 1066392180 /nfs/dbraw/zinc/39/21/80/1066392180.db2.gz LCMCCCKKLBERHZ-NRFANRHFSA-N 0 0 453.420 4.965 20 30 JJEDRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC001361128803 1066392732 /nfs/dbraw/zinc/39/27/32/1066392732.db2.gz GPZLAOKVWGPVHZ-UHFFFAOYSA-N 0 0 454.548 4.572 20 30 JJEDRN C=CCn1c(SCC(=O)NC2CC(Nc3ccccc3)C2)nnc1-c1ccc(Cl)cc1 ZINC001455485205 1066396982 /nfs/dbraw/zinc/39/69/82/1066396982.db2.gz KRRQFOVQSCBSGM-UHFFFAOYSA-N 0 0 453.999 4.636 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(C)(C)C2CC2)c1 ZINC001361131126 1066397978 /nfs/dbraw/zinc/39/79/78/1066397978.db2.gz YUCPKLKXCQMYOU-NRFANRHFSA-N 0 0 451.615 4.844 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545964752 1066412391 /nfs/dbraw/zinc/41/23/91/1066412391.db2.gz JQZBWSTWFDKNPV-RDJZCZTQSA-N 0 0 477.009 4.506 20 30 JJEDRN O=C(Nc1cnn(CC(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC001444139857 1066413777 /nfs/dbraw/zinc/41/37/77/1066413777.db2.gz SHXFRHKOVSUDIP-UHFFFAOYSA-N 0 0 453.293 4.624 20 30 JJEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCc1cc(Br)c2ccccc2c1 ZINC001455593686 1066414055 /nfs/dbraw/zinc/41/40/55/1066414055.db2.gz VWCIXDZAAFIGCI-UHFFFAOYSA-N 0 0 450.336 4.899 20 30 JJEDRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)c1 ZINC001361141959 1066422621 /nfs/dbraw/zinc/42/26/21/1066422621.db2.gz WGVGHAJTAUVOGI-QGZVFWFLSA-N 0 0 454.486 4.687 20 30 JJEDRN N#Cc1ccc(CSc2ccccc2C(=O)NCCCC(=O)N2Cc3ccccc3C2)cc1 ZINC001444170826 1066424709 /nfs/dbraw/zinc/42/47/09/1066424709.db2.gz PDZCNHXFEWFMLS-UHFFFAOYSA-N 0 0 455.583 4.903 20 30 JJEDRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C)c3cccc(C#N)c3)c2)c1 ZINC001455782274 1066430873 /nfs/dbraw/zinc/43/08/73/1066430873.db2.gz SMJJGFKSHVNQOZ-MRXNPFEDSA-N 0 0 453.951 4.812 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC001361146011 1066431050 /nfs/dbraw/zinc/43/10/50/1066431050.db2.gz OTPQNIOLEGOSJD-IRLDBZIGSA-N 0 0 451.615 4.952 20 30 JJEDRN CC(C)(C)OC(=O)CC[C@@H]1Cc2ccccc2N(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC001455809238 1066435061 /nfs/dbraw/zinc/43/50/61/1066435061.db2.gz PQBRDZAQCSQABS-HXUWFJFHSA-N 0 0 456.546 4.685 20 30 JJEDRN C#CCN(C(=O)/C=C/c1cccc(OC2CCCC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455808871 1066435161 /nfs/dbraw/zinc/43/51/61/1066435161.db2.gz BWTWZYXORJREAJ-BUHFOSPRSA-N 0 0 452.595 4.883 20 30 JJEDRN C#CCN(C(=O)c1cc(Br)c(CC)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455812070 1066435950 /nfs/dbraw/zinc/43/59/50/1066435950.db2.gz TYLPFJGQXMXWJM-UHFFFAOYSA-N 0 0 455.418 4.548 20 30 JJEDRN CCCNc1ccc(C#N)cc1NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001444278690 1066442769 /nfs/dbraw/zinc/44/27/69/1066442769.db2.gz JOZYZOFZZXOGHZ-UHFFFAOYSA-N 0 0 453.543 4.735 20 30 JJEDRN Cc1cccc2c(CCNC(=O)[C@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)c[nH]c21 ZINC001444346585 1066452452 /nfs/dbraw/zinc/45/24/52/1066452452.db2.gz ZBPJRBAYAXJVBH-XMMPIXPASA-N 0 0 458.562 4.541 20 30 JJEDRN N#Cc1cccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1Br ZINC001455931878 1066453916 /nfs/dbraw/zinc/45/39/16/1066453916.db2.gz LLQFOQRGRMPTBT-UHFFFAOYSA-N 0 0 452.283 4.893 20 30 JJEDRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[C@@H]1c1cccc(C)c1 ZINC001455933973 1066454385 /nfs/dbraw/zinc/45/43/85/1066454385.db2.gz PYJYSCHYLPKZHR-BDYUSTAISA-N 0 0 453.542 4.994 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCc2nccs2)c1 ZINC001361155994 1066456922 /nfs/dbraw/zinc/45/69/22/1066456922.db2.gz KDQLKAIZVPNUHQ-DEOSSOPVSA-N 0 0 450.612 4.693 20 30 JJEDRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@](C)(C#N)C2)cs1 ZINC001361156426 1066458989 /nfs/dbraw/zinc/45/89/89/1066458989.db2.gz VGCWLYSMXJIWBZ-DEOSSOPVSA-N 0 0 450.612 4.612 20 30 JJEDRN N#C[C@]1(C(=O)Nc2cc(I)ccc2Br)CC2CCC1CC2 ZINC001455965995 1066462598 /nfs/dbraw/zinc/46/25/98/1066462598.db2.gz KAIBYJQQONMFHQ-CLIRUNRCSA-N 0 0 459.125 4.712 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(c4cccs4)CCCCC3)C2)C1 ZINC001444467947 1066462999 /nfs/dbraw/zinc/46/29/99/1066462999.db2.gz COCMFXDDPZOYMT-FAFRJYIDSA-N 0 0 457.640 4.853 20 30 JJEDRN O=C(Nc1cc2n[nH]cc2c(C(F)(F)F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001456008428 1066471016 /nfs/dbraw/zinc/47/10/16/1066471016.db2.gz MGGJLCIBECLIGT-UHFFFAOYSA-N 0 0 458.297 4.573 20 30 JJEDRN C=CCn1c(SCC(=O)NC2(c3ccc(OC)cc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC001456011606 1066471678 /nfs/dbraw/zinc/47/16/78/1066471678.db2.gz TWSQZJZUCZQRDQ-UHFFFAOYSA-N 0 0 454.983 4.691 20 30 JJEDRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCc2cncc(C#N)c2)s1 ZINC001456020848 1066477694 /nfs/dbraw/zinc/47/76/94/1066477694.db2.gz RYVGRSOQYUQHBO-UHFFFAOYSA-N 0 0 455.543 4.688 20 30 JJEDRN O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001546078718 1066482913 /nfs/dbraw/zinc/48/29/13/1066482913.db2.gz XGLKTERKPPXLBY-CYBMUJFWSA-N 0 0 457.386 4.634 20 30 JJEDRN CC(C)c1nccn1Cc1cccc(NC(=O)COc2ccc(C#N)c(Br)c2)c1 ZINC001456047068 1066491548 /nfs/dbraw/zinc/49/15/48/1066491548.db2.gz JZVQPKWCZLUFSJ-UHFFFAOYSA-N 0 0 453.340 4.706 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2cn3ccccc3n2)cc1Br ZINC001361175595 1066493401 /nfs/dbraw/zinc/49/34/01/1066493401.db2.gz RXBYQLOIJOKORP-INIZCTEOSA-N 0 0 478.398 4.502 20 30 JJEDRN C=CCSc1ccccc1C(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001444687654 1066493531 /nfs/dbraw/zinc/49/35/31/1066493531.db2.gz UJXVSSNBTAYYIX-SFHVURJKSA-N 0 0 459.011 4.678 20 30 JJEDRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001456060356 1066498538 /nfs/dbraw/zinc/49/85/38/1066498538.db2.gz IJRIJRNPLKAKMU-HNNXBMFYSA-N 0 0 456.333 4.940 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361178172 1066498762 /nfs/dbraw/zinc/49/87/62/1066498762.db2.gz HHYFKXGLFGWNCX-OAQYLSRUSA-N 0 0 478.597 4.904 20 30 JJEDRN C[C@@H]1CC(C)(C)c2cccc(NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)c21 ZINC001456072136 1066502561 /nfs/dbraw/zinc/50/25/61/1066502561.db2.gz ZDKZDIOFVWVYGY-QGZVFWFLSA-N 0 0 453.608 4.709 20 30 JJEDRN C[C@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)n1nnnc1C(C)(C)C ZINC001444928840 1066518799 /nfs/dbraw/zinc/51/87/99/1066518799.db2.gz CVMFAVAPPKAOQP-CYBMUJFWSA-N 0 0 458.444 4.853 20 30 JJEDRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1c(F)cc(C#N)cc1F ZINC001456141129 1066520254 /nfs/dbraw/zinc/52/02/54/1066520254.db2.gz VTLHLBUBVDEZQV-UHFFFAOYSA-N 0 0 459.802 4.998 20 30 JJEDRN CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456141748 1066520851 /nfs/dbraw/zinc/52/08/51/1066520851.db2.gz KIABWSBYGLNLQJ-HXUWFJFHSA-N 0 0 450.539 4.607 20 30 JJEDRN C=CCNS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)ccc1F ZINC001456152141 1066523924 /nfs/dbraw/zinc/52/39/24/1066523924.db2.gz OGNKDLQOSOCYBK-UHFFFAOYSA-N 0 0 450.963 4.528 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccncc2)cc1Br ZINC001361199600 1066528676 /nfs/dbraw/zinc/52/86/76/1066528676.db2.gz GZCIIRCLCBCXEV-UHFFFAOYSA-N 0 0 465.399 4.784 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCC[C@H]2C)cc1Br ZINC001361199978 1066529458 /nfs/dbraw/zinc/52/94/58/1066529458.db2.gz KSMPPMSWWIDDQB-UZUQRXQVSA-N 0 0 472.431 4.697 20 30 JJEDRN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C[C@H]1CCCO1 ZINC001456186108 1066532346 /nfs/dbraw/zinc/53/23/46/1066532346.db2.gz CVDCBVPJPLNTOV-JOCHJYFZSA-N 0 0 451.523 4.705 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(F)(F)C2)cc1Br ZINC001361205410 1066536760 /nfs/dbraw/zinc/53/67/60/1066536760.db2.gz INHITLWUWXUNTD-LIRRHRJNSA-N 0 0 468.321 4.893 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC001456216703 1066539582 /nfs/dbraw/zinc/53/95/82/1066539582.db2.gz ZJMRSMWDHUOXKI-UHFFFAOYSA-N 0 0 459.687 4.574 20 30 JJEDRN N#Cc1cccc(OCCCCC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 ZINC001456226227 1066540892 /nfs/dbraw/zinc/54/08/92/1066540892.db2.gz PMLZRTKJGOYYHW-UHFFFAOYSA-N 0 0 454.592 4.994 20 30 JJEDRN Cc1ccc(-n2nc(CCCNC(=O)C3(c4cccc(F)c4)CCCCC3)c(C#N)c2N)cc1 ZINC001445162715 1066541297 /nfs/dbraw/zinc/54/12/97/1066541297.db2.gz VOGOLHWYJMIQRM-UHFFFAOYSA-N 0 0 459.569 4.725 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccc(F)cn2)cc1Br ZINC001361211986 1066546462 /nfs/dbraw/zinc/54/64/62/1066546462.db2.gz FHLUOBVRPZPFRT-JOCHJYFZSA-N 0 0 469.362 4.729 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NC2CCCCC2)cc1Br ZINC001361213477 1066548192 /nfs/dbraw/zinc/54/81/92/1066548192.db2.gz XSECQFRTJICPAR-XMMPIXPASA-N 0 0 499.457 4.595 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)ccc1OC ZINC001456297621 1066557207 /nfs/dbraw/zinc/55/72/07/1066557207.db2.gz YSTUZBIIWSYUKG-BORKOYIJSA-N 0 0 471.598 4.562 20 30 JJEDRN N#CCCSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001456306467 1066560342 /nfs/dbraw/zinc/56/03/42/1066560342.db2.gz SZOKPWLMDSQPDE-GOSISDBHSA-N 0 0 454.621 4.583 20 30 JJEDRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC001456320596 1066562122 /nfs/dbraw/zinc/56/21/22/1066562122.db2.gz GKEZAMZBZKTWNR-LJQANCHMSA-N 0 0 456.340 4.621 20 30 JJEDRN COCCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccc(C#N)cc1 ZINC001456337749 1066564823 /nfs/dbraw/zinc/56/48/23/1066564823.db2.gz YMBWPKBCWAWCHJ-UHFFFAOYSA-N 0 0 457.361 4.890 20 30 JJEDRN COCCN(C(=O)c1cc(Br)c(C)cc1Br)c1ccc(C#N)cc1 ZINC001456335947 1066564948 /nfs/dbraw/zinc/56/49/48/1066564948.db2.gz WUWRGURRUNSWHL-UHFFFAOYSA-N 0 0 452.146 4.685 20 30 JJEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001456338395 1066565363 /nfs/dbraw/zinc/56/53/63/1066565363.db2.gz ZSUZIRZDLYUXIS-QGZVFWFLSA-N 0 0 459.384 4.542 20 30 JJEDRN CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456358256 1066569364 /nfs/dbraw/zinc/56/93/64/1066569364.db2.gz JIARIUKSAFSGJP-BHDDXSALSA-N 0 0 450.659 4.780 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@@H](C)CC(C)(C)OC)nnc1-c1ccc(Cl)cc1Cl ZINC001361230512 1066569526 /nfs/dbraw/zinc/56/95/26/1066569526.db2.gz WMEUCZUEEDAKQD-ZDUSSCGKSA-N 0 0 457.427 4.850 20 30 JJEDRN Cc1ccc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H](C)CC#N)cc1 ZINC001361245373 1066586964 /nfs/dbraw/zinc/58/69/64/1066586964.db2.gz MUTSIKRSONMYNX-FPOVZHCZSA-N 0 0 452.603 4.640 20 30 JJEDRN C#CCN(C(=O)c1cc(-c2ccc(F)cc2)on1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456450998 1066589940 /nfs/dbraw/zinc/58/99/40/1066589940.db2.gz RYIAQOSQFDYFGW-LJQANCHMSA-N 0 0 455.283 4.842 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1 ZINC001456449698 1066590088 /nfs/dbraw/zinc/59/00/88/1066590088.db2.gz ANXJHYANJANCSR-IBGZPJMESA-N 0 0 451.502 4.895 20 30 JJEDRN CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)n1 ZINC001361249227 1066593305 /nfs/dbraw/zinc/59/33/05/1066593305.db2.gz GAJXJXLSVGETRV-UHFFFAOYSA-N 0 0 450.852 4.679 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(C#CC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC001445730497 1066612497 /nfs/dbraw/zinc/61/24/97/1066612497.db2.gz QKTZAOJQKWWKPJ-UHFFFAOYSA-N 0 0 459.590 4.890 20 30 JJEDRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@](C)(C#N)C2)s1 ZINC001361267795 1066619976 /nfs/dbraw/zinc/61/99/76/1066619976.db2.gz CXNXUSWJPUALNC-HXUWFJFHSA-N 0 0 459.417 4.594 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001456574307 1066629605 /nfs/dbraw/zinc/62/96/05/1066629605.db2.gz NDTPSKNNHSHUHB-ZWKOTPCHSA-N 0 0 452.979 4.530 20 30 JJEDRN CCOC(=O)[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccc(O)c1 ZINC001445872868 1066629633 /nfs/dbraw/zinc/62/96/33/1066629633.db2.gz BJNWMBAQWQKVMF-QFIPXVFZSA-N 0 0 450.878 4.744 20 30 JJEDRN CCCN(CC)c1ccc(C(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC001456583491 1066632361 /nfs/dbraw/zinc/63/23/61/1066632361.db2.gz DUFWJPGQGBNGOP-BETUJISGSA-N 0 0 459.381 4.561 20 30 JJEDRN O=C(c1ccc(N2CCCCC2)cc1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001456583662 1066632965 /nfs/dbraw/zinc/63/29/65/1066632965.db2.gz FBBPLOYRCLVRPC-GJZGRUSLSA-N 0 0 456.377 4.920 20 30 JJEDRN CCCN(CC)c1ccc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC001456583507 1066633109 /nfs/dbraw/zinc/63/31/09/1066633109.db2.gz DUFWJPGQGBNGOP-STQMWFEESA-N 0 0 459.381 4.561 20 30 JJEDRN N#Cc1cc(NC(=O)C2(n3cnnn3)CCCCC2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001361276149 1066633630 /nfs/dbraw/zinc/63/36/30/1066633630.db2.gz VWMBVSYISSIAQI-UHFFFAOYSA-N 0 0 456.428 4.654 20 30 JJEDRN Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 ZINC001361281178 1066638739 /nfs/dbraw/zinc/63/87/39/1066638739.db2.gz BFFDVYKLODDJJX-AWEZNQCLSA-N 0 0 466.401 4.599 20 30 JJEDRN Cc1nc(SCC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c(C#N)c(C)c1C ZINC001445969105 1066640905 /nfs/dbraw/zinc/64/09/05/1066640905.db2.gz KCRPZCMNAQUQTA-UHFFFAOYSA-N 0 0 452.407 4.689 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CC)Cc1ccccc1Br ZINC001445991776 1066642593 /nfs/dbraw/zinc/64/25/93/1066642593.db2.gz PIZQJLBGVRKTPJ-SFHVURJKSA-N 0 0 454.368 4.951 20 30 JJEDRN Cc1ccccc1OCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N ZINC001492600465 1066653264 /nfs/dbraw/zinc/65/32/64/1066653264.db2.gz NHXZKACSVZAKES-FPOVZHCZSA-N 0 0 482.629 4.724 20 30 JJEDRN Cc1ccccc1OCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 ZINC001492601388 1066655812 /nfs/dbraw/zinc/65/58/12/1066655812.db2.gz AHFWIWDIZMGDME-QFIPXVFZSA-N 0 0 494.640 4.520 20 30 JJEDRN N#CCCCCCC(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 ZINC001446084386 1066656743 /nfs/dbraw/zinc/65/67/43/1066656743.db2.gz YVQNFWQKCJVLNF-UHFFFAOYSA-N 0 0 453.546 4.707 20 30 JJEDRN COc1cc(C#N)ccc1OCC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001446143655 1066665225 /nfs/dbraw/zinc/66/52/25/1066665225.db2.gz HLSXMLFPMPJRDI-UHFFFAOYSA-N 0 0 455.436 4.588 20 30 JJEDRN C=CCn1c(SCC(=O)NCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC001456690169 1066668187 /nfs/dbraw/zinc/66/81/87/1066668187.db2.gz SQRTVPRNRLJKMX-UHFFFAOYSA-N 0 0 458.374 4.718 20 30 JJEDRN CC[C@H](Cn1c(C2CC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545982021 1066668270 /nfs/dbraw/zinc/66/82/70/1066668270.db2.gz GBQVHEZTOSVOLQ-JOCHJYFZSA-N 0 0 462.598 4.624 20 30 JJEDRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC001446185152 1066670557 /nfs/dbraw/zinc/67/05/57/1066670557.db2.gz IEZWGPIXYJEANG-FQEVSTJZSA-N 0 0 453.292 4.737 20 30 JJEDRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N(C)c2ccc(C#N)cc2)c(Cl)cc1Cl ZINC001456733820 1066677347 /nfs/dbraw/zinc/67/73/47/1066677347.db2.gz WEZDKPAXOGAZPM-CYBMUJFWSA-N 0 0 454.379 4.609 20 30 JJEDRN C[C@@]1(C#N)CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001546084684 1066678943 /nfs/dbraw/zinc/67/89/43/1066678943.db2.gz RNIYSRMJHMWRAM-FQEVSTJZSA-N 0 0 452.363 4.560 20 30 JJEDRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001456781087 1066689405 /nfs/dbraw/zinc/68/94/05/1066689405.db2.gz GBMOKALKRWUPQV-MNOVXSKESA-N 0 0 457.314 4.645 20 30 JJEDRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(C#Cc2ccccc2)cc1 ZINC001456807353 1066697143 /nfs/dbraw/zinc/69/71/43/1066697143.db2.gz YKSFYJZOJPGCJV-LJAQVGFWSA-N 0 0 458.561 4.744 20 30 JJEDRN Cc1cn2c(n1)[C@H](Cn1c([C@H](C)Oc3cccc(C)c3C)nnc1N(C)[C@H](C)CC#N)CCC2 ZINC001492628470 1066699391 /nfs/dbraw/zinc/69/93/91/1066699391.db2.gz GIKTYDRGJDYPQK-HJNYFJLDSA-N 0 0 461.614 4.856 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492630203 1066703447 /nfs/dbraw/zinc/70/34/47/1066703447.db2.gz PSEOQNPHZVPROD-KRWDZBQOSA-N 0 0 450.612 4.779 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492630204 1066704101 /nfs/dbraw/zinc/70/41/01/1066704101.db2.gz PSEOQNPHZVPROD-QGZVFWFLSA-N 0 0 450.612 4.779 20 30 JJEDRN C=CCC[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)c1ccccc1 ZINC001446507462 1066712208 /nfs/dbraw/zinc/71/22/08/1066712208.db2.gz VCKYDZNIYLLKQT-SFTDATJTSA-N 0 0 453.587 4.678 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)s1 ZINC001492632885 1066712523 /nfs/dbraw/zinc/71/25/23/1066712523.db2.gz PDCILMKKYADKOP-YJBOKZPZSA-N 0 0 472.565 4.779 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 ZINC001492633124 1066713090 /nfs/dbraw/zinc/71/30/90/1066713090.db2.gz VDEXEQCDGVIVLU-HJPURHCSSA-N 0 0 454.575 4.695 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1C#N ZINC001446519662 1066714099 /nfs/dbraw/zinc/71/40/99/1066714099.db2.gz KSFNCTBVGPCBSM-UHFFFAOYSA-N 0 0 458.312 4.881 20 30 JJEDRN CC(C)(C)OC(=O)N1CCCCC[C@H]1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC001456890022 1066714760 /nfs/dbraw/zinc/71/47/60/1066714760.db2.gz VBKHIWOWEQZIIB-FQEVSTJZSA-N 0 0 453.539 4.640 20 30 JJEDRN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001446571468 1066722323 /nfs/dbraw/zinc/72/23/23/1066722323.db2.gz XHPQCUMPBXLDOD-PIGZYNQJSA-N 0 0 453.354 4.871 20 30 JJEDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC001456926643 1066723909 /nfs/dbraw/zinc/72/39/09/1066723909.db2.gz SHXDMPPWZJOFRQ-QGZVFWFLSA-N 0 0 450.516 4.550 20 30 JJEDRN C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001446642741 1066728160 /nfs/dbraw/zinc/72/81/60/1066728160.db2.gz LOMHIOLGWUGTPT-OAHLLOKOSA-N 0 0 455.923 4.684 20 30 JJEDRN CN(C)C(=O)CCCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001446652938 1066729287 /nfs/dbraw/zinc/72/92/87/1066729287.db2.gz YOYUVRBOUPVKJQ-AWEZNQCLSA-N 0 0 452.317 4.702 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(CC#N)CC2)n1 ZINC001492639911 1066729724 /nfs/dbraw/zinc/72/97/24/1066729724.db2.gz VDMAMDWEYMNXGQ-FFZOFVMBSA-N 0 0 499.685 4.748 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC001492640074 1066730177 /nfs/dbraw/zinc/73/01/77/1066730177.db2.gz WNNNLYJUFOTUTN-SFHVURJKSA-N 0 0 464.639 4.965 20 30 JJEDRN O=C(N[C@H](CO)CC(F)(F)F)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 ZINC001446745518 1066735189 /nfs/dbraw/zinc/73/51/89/1066735189.db2.gz HWYSBAPHQMKZLH-QPOXJZOHSA-N 0 0 455.361 4.538 20 30 JJEDRN Cc1csc(CCCCn2c(-c3cccc(Br)c3)nnc2N2CC[C@](F)(C#N)C2)n1 ZINC001492643988 1066740683 /nfs/dbraw/zinc/74/06/83/1066740683.db2.gz FHZPPUOLGMNCSU-NRFANRHFSA-N 0 0 489.418 4.937 20 30 JJEDRN COc1ccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2Cl)c(OC)c1 ZINC001457017020 1066743952 /nfs/dbraw/zinc/74/39/52/1066743952.db2.gz OEHQDNGCRJWYHR-RUZDIDTESA-N 0 0 450.922 4.708 20 30 JJEDRN N#Cc1ccc(Cn2cnc(NC(=O)c3cnc(-c4c(Cl)cccc4Cl)s3)n2)cc1 ZINC001457027159 1066747447 /nfs/dbraw/zinc/74/74/47/1066747447.db2.gz BLLBOCYOQOGVEC-UHFFFAOYSA-N 0 0 455.330 4.881 20 30 JJEDRN Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC001457030570 1066748612 /nfs/dbraw/zinc/74/86/12/1066748612.db2.gz QNMICFSCCYGTNL-UHFFFAOYSA-N 0 0 450.296 4.576 20 30 JJEDRN Cc1csc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)c1 ZINC001492646962 1066750487 /nfs/dbraw/zinc/75/04/87/1066750487.db2.gz VZVNWHXCWOAQTN-GOSISDBHSA-N 0 0 496.637 4.912 20 30 JJEDRN Cc1csc(Cn2c(-c3ccccc3Br)nnc2N2CCC(CC#N)CC2)n1 ZINC001492649386 1066756519 /nfs/dbraw/zinc/75/65/19/1066756519.db2.gz AGHZAAZQHPEDSB-UHFFFAOYSA-N 0 0 457.401 4.651 20 30 JJEDRN Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N(CC(C)C)C2CCCC2)n1 ZINC001492651151 1066758365 /nfs/dbraw/zinc/75/83/65/1066758365.db2.gz GKMYPHPPXMNDEB-UHFFFAOYSA-N 0 0 450.612 4.947 20 30 JJEDRN CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001446984608 1066761990 /nfs/dbraw/zinc/76/19/90/1066761990.db2.gz FSICAWKMSSXSST-SFTDATJTSA-N 0 0 453.468 4.753 20 30 JJEDRN CSc1nc(C2CC2)cc(C(=O)N=[S@@](C)(=O)c2cccc(Br)c2)c1C#N ZINC001457102342 1066762488 /nfs/dbraw/zinc/76/24/88/1066762488.db2.gz OJIGJSFEAMMMHK-SANMLTNESA-N 0 0 450.383 4.612 20 30 JJEDRN Cc1nc(C)c(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)s1 ZINC001492655502 1066766838 /nfs/dbraw/zinc/76/68/38/1066766838.db2.gz SKJLHHZVLMLWRM-GOSISDBHSA-N 0 0 460.529 4.912 20 30 JJEDRN Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492656794 1066769496 /nfs/dbraw/zinc/76/94/96/1066769496.db2.gz HJZFTNJGXMFOSJ-OAQYLSRUSA-N 0 0 450.612 4.670 20 30 JJEDRN Cc1nc(C)c(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)s1 ZINC001492657752 1066771398 /nfs/dbraw/zinc/77/13/98/1066771398.db2.gz ZBSUTHAWHMQHHP-NRFANRHFSA-N 0 0 495.411 4.922 20 30 JJEDRN COc1cc(CNC(=O)C#Cc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC001447101601 1066773318 /nfs/dbraw/zinc/77/33/18/1066773318.db2.gz ITSMQLPWEVALGA-UHFFFAOYSA-N 0 0 450.332 4.705 20 30 JJEDRN COc1cccc(-c2noc([C@H](C)NC(=O)c3cccc(COc4ccccc4C#N)c3)n2)c1 ZINC001457170658 1066779170 /nfs/dbraw/zinc/77/91/70/1066779170.db2.gz ONGXIRUUBAEYEX-KRWDZBQOSA-N 0 0 454.486 4.687 20 30 JJEDRN N#Cc1cccc([C@H]2CN(C(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)CCO2)c1 ZINC001447224930 1066783314 /nfs/dbraw/zinc/78/33/14/1066783314.db2.gz UGHPEOBRDKPGDP-OAQYLSRUSA-N 0 0 452.436 4.929 20 30 JJEDRN N#Cc1cccc([C@H]2CN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CCO2)c1 ZINC001447223172 1066783420 /nfs/dbraw/zinc/78/34/20/1066783420.db2.gz QEWMVCPVQZNQMW-OAQYLSRUSA-N 0 0 453.420 4.978 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001447291249 1066788818 /nfs/dbraw/zinc/78/88/18/1066788818.db2.gz JHAWGTAKDNTQQU-HXUWFJFHSA-N 0 0 457.958 4.591 20 30 JJEDRN CNC(=O)c1cc(Oc2cc(NC(=O)CCCCOc3cccc(C#N)c3)ccc2C)ccn1 ZINC001457266782 1066799630 /nfs/dbraw/zinc/79/96/30/1066799630.db2.gz JEAQVELZPXJPEK-UHFFFAOYSA-N 0 0 458.518 4.601 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001447397835 1066803193 /nfs/dbraw/zinc/80/31/93/1066803193.db2.gz FFRXNTGRDIGCMY-ROUUACIJSA-N 0 0 453.352 4.558 20 30 JJEDRN C=CC[C@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)CCCN1C(=O)OC(C)(C)C ZINC001457361431 1066816626 /nfs/dbraw/zinc/81/66/26/1066816626.db2.gz UATFILOJRNHJMN-GBXCKJPGSA-N 0 0 458.990 4.588 20 30 JJEDRN C=CC[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C)C(=O)OCC ZINC001447552259 1066820890 /nfs/dbraw/zinc/82/08/90/1066820890.db2.gz OZDZVULQIHVEIG-NVXWUHKLSA-N 0 0 459.370 4.525 20 30 JJEDRN CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC001545997503 1066829864 /nfs/dbraw/zinc/82/98/64/1066829864.db2.gz PYQOJPLRQKMYJB-FQEVSTJZSA-N 0 0 473.021 4.566 20 30 JJEDRN Cc1nc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)cs1 ZINC001492687429 1066832697 /nfs/dbraw/zinc/83/26/97/1066832697.db2.gz XIADEWISQNQJQH-MWTRTKDXSA-N 0 0 454.575 4.695 20 30 JJEDRN Cc1nc(CCn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@](C)(C#N)C2)cs1 ZINC001492687726 1066833818 /nfs/dbraw/zinc/83/38/18/1066833818.db2.gz OCLDJKMMSHXDKG-IBGZPJMESA-N 0 0 477.457 4.907 20 30 JJEDRN Cc1nc([C@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)(F)F)cs1 ZINC001492694304 1066839830 /nfs/dbraw/zinc/83/98/30/1066839830.db2.gz IFOYMJJCZJTAAW-LJQANCHMSA-N 0 0 492.527 4.762 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OCC(F)(F)F)nc2)s1 ZINC001492695462 1066842248 /nfs/dbraw/zinc/84/22/48/1066842248.db2.gz CJPSSPBNUGVTCV-UHFFFAOYSA-N 0 0 499.522 4.603 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001492696174 1066845245 /nfs/dbraw/zinc/84/52/45/1066845245.db2.gz WUIZEDHEGQKKLM-HXUWFJFHSA-N 0 0 493.637 4.618 20 30 JJEDRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001457506499 1066846060 /nfs/dbraw/zinc/84/60/60/1066846060.db2.gz UOSPFYNBVAEANJ-CQSZACIVSA-N 0 0 452.270 4.845 20 30 JJEDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc2[N+](=O)[O-])C1 ZINC001457509234 1066846612 /nfs/dbraw/zinc/84/66/12/1066846612.db2.gz NMUXFKVBVINBJI-IAGOWNOFSA-N 0 0 459.468 4.877 20 30 JJEDRN Cc1ncc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@](F)(C#N)C2)s1 ZINC001492701177 1066857939 /nfs/dbraw/zinc/85/79/39/1066857939.db2.gz YSZZQTNOZURUPA-HSZRJFAPSA-N 0 0 454.575 4.625 20 30 JJEDRN Cc1ncc(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCC(F)(F)F)CC2CC2)s1 ZINC001492702459 1066860489 /nfs/dbraw/zinc/86/04/89/1066860489.db2.gz FOKGTLHXGVWDCB-UHFFFAOYSA-N 0 0 476.528 4.711 20 30 JJEDRN CCCc1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1cccc(C#N)c1 ZINC001447958506 1066882678 /nfs/dbraw/zinc/88/26/78/1066882678.db2.gz IYDXKOALUWCHDN-UHFFFAOYSA-N 0 0 458.503 4.980 20 30 JJEDRN CCCc1c(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC001447960897 1066883237 /nfs/dbraw/zinc/88/32/37/1066883237.db2.gz MJZFAKNYNFRERQ-HSZRJFAPSA-N 0 0 459.550 4.901 20 30 JJEDRN CCCc1c(NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)cnn1-c1cccc(C#N)c1 ZINC001447963769 1066883975 /nfs/dbraw/zinc/88/39/75/1066883975.db2.gz RLARPMCAOJNDGB-QHCPKHFHSA-N 0 0 457.578 4.788 20 30 JJEDRN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(CC#N)ccn3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457628767 1066885448 /nfs/dbraw/zinc/88/54/48/1066885448.db2.gz BCTHZSWFMZRQMR-BVAGGSTKSA-N 0 0 454.530 4.588 20 30 JJEDRN COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(CC#N)ccn3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457628775 1066885535 /nfs/dbraw/zinc/88/55/35/1066885535.db2.gz BCTHZSWFMZRQMR-OZXSUGGESA-N 0 0 454.530 4.588 20 30 JJEDRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001492730039 1066900421 /nfs/dbraw/zinc/90/04/21/1066900421.db2.gz OTLJCFJGAAJCEE-SHQCIBLASA-N 0 0 475.641 4.659 20 30 JJEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001457723044 1066904832 /nfs/dbraw/zinc/90/48/32/1066904832.db2.gz GNUAIRMSWGBSRR-XMMPIXPASA-N 0 0 457.496 4.589 20 30 JJEDRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3ccc(F)cc3OCCC(F)(F)F)c2N1 ZINC001448199314 1066909428 /nfs/dbraw/zinc/90/94/28/1066909428.db2.gz PJKZBHCOKQHBQX-YMTOWFKASA-N 0 0 454.346 4.913 20 30 JJEDRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)Cc2ccccc2CC#N)c1 ZINC001457759880 1066913475 /nfs/dbraw/zinc/91/34/75/1066913475.db2.gz KJAJGTZFEHVZRI-UHFFFAOYSA-N 0 0 451.935 4.920 20 30 JJEDRN C[C@H](OC(=O)c1cccc(Br)c1I)c1cccc(C#N)c1 ZINC001457760878 1066913567 /nfs/dbraw/zinc/91/35/67/1066913567.db2.gz QQSBHRFDXIKCDH-JTQLQIEISA-N 0 0 456.077 4.843 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)CCSc2ncnc3sc(C)c(C)c32)cc1C#N ZINC001546004540 1066917065 /nfs/dbraw/zinc/91/70/65/1066917065.db2.gz FYBKYMXNXIJRPV-UHFFFAOYSA-N 0 0 455.565 4.869 20 30 JJEDRN N#Cc1ccccc1OCc1cccc(C(=O)NC[C@@H](NCc2ccccc2)C(F)(F)F)c1 ZINC001457812089 1066926316 /nfs/dbraw/zinc/92/63/16/1066926316.db2.gz FNRSLGFWKFKPFH-HSZRJFAPSA-N 0 0 453.464 4.588 20 30 JJEDRN N#CCOc1cc(F)ccc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001457882109 1066935302 /nfs/dbraw/zinc/93/53/02/1066935302.db2.gz CVBJGMQERIVLQP-UHFFFAOYSA-N 0 0 452.330 4.857 20 30 JJEDRN Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC001492762435 1066935358 /nfs/dbraw/zinc/93/53/58/1066935358.db2.gz RJTNVOSGBDBHSV-WMZHIEFXSA-N 0 0 461.614 4.647 20 30 JJEDRN O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001457932119 1066942813 /nfs/dbraw/zinc/94/28/13/1066942813.db2.gz GIGSZSLQPAZXIW-UHFFFAOYSA-N 0 0 455.227 4.593 20 30 JJEDRN Cc1nnc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC(CC#N)CC2)s1 ZINC001492770202 1066943194 /nfs/dbraw/zinc/94/31/94/1066943194.db2.gz QWMYBBCJIGOPAT-UHFFFAOYSA-N 0 0 492.436 4.697 20 30 JJEDRN Cc1nnc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@H](C)CC#N)s1 ZINC001492771502 1066944409 /nfs/dbraw/zinc/94/44/09/1066944409.db2.gz PXMZLFHSAIPRGM-HUUCEWRRSA-N 0 0 460.007 4.635 20 30 JJEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C ZINC001457952444 1066947121 /nfs/dbraw/zinc/94/71/21/1066947121.db2.gz PXPROGWYJAYKFN-LFAKXSMHSA-N 0 0 470.404 4.591 20 30 JJEDRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC1(c2ccc(F)cc2)CCOCC1 ZINC001492799181 1066952533 /nfs/dbraw/zinc/95/25/33/1066952533.db2.gz XGYYLLSWXOLCJM-UHFFFAOYSA-N 0 0 480.428 4.795 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1Cl ZINC001458018959 1066957724 /nfs/dbraw/zinc/95/77/24/1066957724.db2.gz JOCMISWVSSPIIS-JOCHJYFZSA-N 0 0 459.933 4.925 20 30 JJEDRN CCN(C(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)c1ccc(C#N)c(Cl)c1 ZINC001458033249 1066958711 /nfs/dbraw/zinc/95/87/11/1066958711.db2.gz GKNADHMYJJQUEU-OAQYLSRUSA-N 0 0 457.958 4.709 20 30 JJEDRN CCN(C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1ccc(C#N)c(Cl)c1 ZINC001458034129 1066959013 /nfs/dbraw/zinc/95/90/13/1066959013.db2.gz HRDRLZFABGHAES-UHFFFAOYSA-N 0 0 456.329 4.772 20 30 JJEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](OCC2CCCC2)c2ccccc2)CC1 ZINC001448829828 1066960829 /nfs/dbraw/zinc/96/08/29/1066960829.db2.gz MWWRMFLNWOAYJJ-LOSJGSFVSA-N 0 0 451.998 4.997 20 30 JJEDRN CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C2CCC1(C)CC2)NC(=O)OC(C)(C)C ZINC001546010448 1066969272 /nfs/dbraw/zinc/96/92/72/1066969272.db2.gz MAMKEBQWNRLPSS-KGDFEOOMSA-N 0 0 480.613 4.553 20 30 JJEDRN CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 ZINC001546010635 1066972640 /nfs/dbraw/zinc/97/26/40/1066972640.db2.gz OXQWZNAPFMKUBN-IBGZPJMESA-N 0 0 462.623 4.593 20 30 JJEDRN CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC001546010788 1066973598 /nfs/dbraw/zinc/97/35/98/1066973598.db2.gz RXMOKLAMMLAWEB-OAQYLSRUSA-N 0 0 482.629 4.517 20 30 JJEDRN CC[C@H](c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccccc1 ZINC001545719717 1066973537 /nfs/dbraw/zinc/97/35/37/1066973537.db2.gz LECIMUXTRBJWBM-SQDZQZBLSA-N 0 0 492.668 4.919 20 30 JJEDRN N#Cc1cc(C(F)(F)F)cc(N2CCC(C(=O)Nc3ccccc3Br)CC2)n1 ZINC001458148614 1066988273 /nfs/dbraw/zinc/98/82/73/1066988273.db2.gz SDESXARSVVWNIQ-UHFFFAOYSA-N 0 0 453.262 4.590 20 30 JJEDRN CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001449214145 1066989670 /nfs/dbraw/zinc/98/96/70/1066989670.db2.gz YHKIOZWZDFXBCB-UHFFFAOYSA-N 0 0 452.555 4.760 20 30 JJEDRN C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C)c1ccc(C(F)(F)F)cc1 ZINC001458175259 1066996753 /nfs/dbraw/zinc/99/67/53/1066996753.db2.gz NWIVMQOUCKSZHZ-FQEVSTJZSA-N 0 0 454.514 4.701 20 30 JJEDRN C=CCOc1ccc(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1OC ZINC001449308444 1066997580 /nfs/dbraw/zinc/99/75/80/1066997580.db2.gz GGSVELARXBHICH-OAQYLSRUSA-N 0 0 452.551 4.524 20 30 JJEDRN N#Cc1c(Cl)nsc1N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001458183902 1066999250 /nfs/dbraw/zinc/99/92/50/1066999250.db2.gz CEIXKOKNBBQFMR-CYBMUJFWSA-N 0 0 450.749 4.746 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001449355655 1067002702 /nfs/dbraw/zinc/00/27/02/1067002702.db2.gz IAVMDTXFUFMPML-RUZDIDTESA-N 0 0 453.542 4.813 20 30 JJEDRN CCOC(=O)CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H](C)c1cccc(Br)c1 ZINC001458206353 1067002764 /nfs/dbraw/zinc/00/27/64/1067002764.db2.gz WIHIIPMVYYVQNZ-GQWLDOHISA-N 0 0 455.352 4.577 20 30 JJEDRN CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC001449358211 1067003483 /nfs/dbraw/zinc/00/34/83/1067003483.db2.gz UZGOTLJUXLMSJW-SQNIBIBYSA-N 0 0 452.558 4.650 20 30 JJEDRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N)c1ccccc1 ZINC001546014655 1067011366 /nfs/dbraw/zinc/01/13/66/1067011366.db2.gz LVXIPEPDFWJWGY-KIZRIRGWSA-N 0 0 466.630 4.981 20 30 JJEDRN N#Cc1c(C#N)c2c(nc1NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)CCCCCC2 ZINC001458256158 1067013877 /nfs/dbraw/zinc/01/38/77/1067013877.db2.gz AVOKJLCHROBCAC-KRWDZBQOSA-N 0 0 458.484 4.646 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccnc(C)c2)ccc1Cl ZINC001458259888 1067015347 /nfs/dbraw/zinc/01/53/47/1067015347.db2.gz VUUDCESJJDRUIL-UHFFFAOYSA-N 0 0 455.967 4.701 20 30 JJEDRN COc1cc(OC)c2ncc(C#N)c(Nc3cnn(-c4ccccc4Br)c3)c2c1 ZINC001458262267 1067015544 /nfs/dbraw/zinc/01/55/44/1067015544.db2.gz MYENHGACUANGIC-UHFFFAOYSA-N 0 0 450.296 4.815 20 30 JJEDRN N#Cc1cccc(Br)c1N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC001458274689 1067018933 /nfs/dbraw/zinc/01/89/33/1067018933.db2.gz DBYSGEZAOZJONC-UHFFFAOYSA-N 0 0 453.153 4.545 20 30 JJEDRN C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001449700244 1067021659 /nfs/dbraw/zinc/02/16/59/1067021659.db2.gz UQWPKGQVXQGZGG-OALUTQOASA-N 0 0 455.583 4.947 20 30 JJEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(SC)ccc2C)cc1[N+](=O)[O-] ZINC001458288131 1067022539 /nfs/dbraw/zinc/02/25/39/1067022539.db2.gz DUIYFBLAEKRYAF-UHFFFAOYSA-N 0 0 451.508 4.663 20 30 JJEDRN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)Nc1ncc(C#N)c2ccsc21 ZINC001458305018 1067025720 /nfs/dbraw/zinc/02/57/20/1067025720.db2.gz RGBOXBZMGGRSHM-INIZCTEOSA-N 0 0 455.337 4.608 20 30 JJEDRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC001546017081 1067025900 /nfs/dbraw/zinc/02/59/00/1067025900.db2.gz OJYHDNCGVSSSSA-VLMJQKPGSA-N 0 0 482.604 4.685 20 30 JJEDRN C[C@H](c1ccccn1)N(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(N(C)C)cc1 ZINC001458311307 1067026822 /nfs/dbraw/zinc/02/68/22/1067026822.db2.gz WLDMLZYSWKLSSC-TZIWHRDSSA-N 0 0 457.553 4.779 20 30 JJEDRN CC[C@@H](Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC001546017389 1067030344 /nfs/dbraw/zinc/03/03/44/1067030344.db2.gz TYLPHNCGPOWXFZ-PKOBYXMFSA-N 0 0 498.538 4.640 20 30 JJEDRN CC[C@@H](c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCSC(C)C)c1ccccc1 ZINC001545756165 1067033002 /nfs/dbraw/zinc/03/30/02/1067033002.db2.gz BVEWDAXTHFNORL-HSZRJFAPSA-N 0 0 475.666 4.555 20 30 JJEDRN CC[C@@H](c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC=C(C)C)c1ccccc1 ZINC001545757268 1067035525 /nfs/dbraw/zinc/03/55/25/1067035525.db2.gz WKMYLUCKRWWTRR-JTHBVZDNSA-N 0 0 470.625 4.553 20 30 JJEDRN CN(Cc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)C(=O)OC(C)(C)C ZINC001449902830 1067035660 /nfs/dbraw/zinc/03/56/60/1067035660.db2.gz RQLIMIBRFDVZOJ-IBGZPJMESA-N 0 0 452.530 4.529 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](F)C2)ccc1Cl ZINC001449979113 1067039767 /nfs/dbraw/zinc/03/97/67/1067039767.db2.gz BHSCQHQAIYRYMU-OAHLLOKOSA-N 0 0 457.354 4.559 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001458354815 1067040976 /nfs/dbraw/zinc/04/09/76/1067040976.db2.gz NGKSIIOTAVBFEP-QGZVFWFLSA-N 0 0 456.823 4.598 20 30 JJEDRN CCOC(=O)c1sc2nc(C)nc(N3CCC(Oc4ccc(C#N)cc4F)CC3)c2c1C ZINC001458370077 1067044184 /nfs/dbraw/zinc/04/41/84/1067044184.db2.gz PTTHADOVQVOEBQ-UHFFFAOYSA-N 0 0 454.527 4.543 20 30 JJEDRN C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1=O ZINC001450077081 1067048082 /nfs/dbraw/zinc/04/80/82/1067048082.db2.gz GGVKPHWDYQKCDI-IQGLISFBSA-N 0 0 456.521 4.923 20 30 JJEDRN N#Cc1cc(N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)ncc1Br ZINC001458400452 1067052760 /nfs/dbraw/zinc/05/27/60/1067052760.db2.gz IDFGSFYROSMQHC-WIYYLYMNSA-N 0 0 454.299 4.718 20 30 JJEDRN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC001458401300 1067052879 /nfs/dbraw/zinc/05/28/79/1067052879.db2.gz ZPSUCXSNAXAOTA-HXUWFJFHSA-N 0 0 458.942 4.871 20 30 JJEDRN N#C[C@@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001458440445 1067061026 /nfs/dbraw/zinc/06/10/26/1067061026.db2.gz QXKLDRULVLQCOB-MRXNPFEDSA-N 0 0 457.221 4.899 20 30 JJEDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC001458446206 1067062361 /nfs/dbraw/zinc/06/23/61/1067062361.db2.gz FVGSIDGXCRTEGY-LJQANCHMSA-N 0 0 453.340 4.664 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](F)(C#N)C1)OC ZINC001545774497 1067067292 /nfs/dbraw/zinc/06/72/92/1067067292.db2.gz QYVXCFKSDZQLQP-XMMPIXPASA-N 0 0 467.545 4.764 20 30 JJEDRN C#C[C@H](NC(=O)CSc1nccn1-c1ccc(C)c(C)c1)c1ccc(Br)cc1 ZINC001450273074 1067067628 /nfs/dbraw/zinc/06/76/28/1067067628.db2.gz OHFFDPVXVCVCPM-FQEVSTJZSA-N 0 0 454.393 4.834 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC ZINC001545774573 1067067923 /nfs/dbraw/zinc/06/79/23/1067067923.db2.gz UFBDHKNYCHGEAP-UHFFFAOYSA-N 0 0 463.582 4.971 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)SC ZINC001545775729 1067069435 /nfs/dbraw/zinc/06/94/35/1067069435.db2.gz JCENKBKUEHKKJD-MHPIHPPYSA-N 0 0 469.655 4.511 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)SC ZINC001545775730 1067069645 /nfs/dbraw/zinc/06/96/45/1067069645.db2.gz JCENKBKUEHKKJD-OSWQYVSFSA-N 0 0 469.655 4.511 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001545775864 1067070012 /nfs/dbraw/zinc/07/00/12/1067070012.db2.gz NJNVZDRCRGCXDR-JOCHJYFZSA-N 0 0 496.656 4.858 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1)SC ZINC001545776105 1067070633 /nfs/dbraw/zinc/07/06/33/1067070633.db2.gz WBTBPXWAKXHITI-JOCHJYFZSA-N 0 0 492.697 4.864 20 30 JJEDRN N#C[C@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1cccc(Cl)c1Cl ZINC001458504392 1067076593 /nfs/dbraw/zinc/07/65/93/1067076593.db2.gz CVYNBRRBKOHWNV-INIZCTEOSA-N 0 0 450.123 4.936 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC001458505496 1067077404 /nfs/dbraw/zinc/07/74/04/1067077404.db2.gz KFIKYYPFIVBKOH-QAPCUYQASA-N 0 0 450.322 4.802 20 30 JJEDRN C#CC[C@H](CO)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC001450529588 1067086383 /nfs/dbraw/zinc/08/63/83/1067086383.db2.gz TTWCBVHYMGTJTC-NPZHOADTSA-N 0 0 457.699 4.923 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001458592088 1067091916 /nfs/dbraw/zinc/09/19/16/1067091916.db2.gz WPBCEVBVQISKPH-QGZVFWFLSA-N 0 0 456.823 4.598 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)C2 ZINC001458606380 1067093405 /nfs/dbraw/zinc/09/34/05/1067093405.db2.gz LMYUHEKLEWEJEM-XMMPIXPASA-N 0 0 451.527 4.632 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3[nH]c4ccccc4c3C#N)n2)CC1 ZINC001450601200 1067093765 /nfs/dbraw/zinc/09/37/65/1067093765.db2.gz BLIQBCLIXDHKMJ-UHFFFAOYSA-N 0 0 451.552 4.863 20 30 JJEDRN COc1cc([C@H](C#N)NC(=O)c2cc3cc(C)cc(Br)c3o2)cc(OC)c1OC ZINC001458613348 1067095576 /nfs/dbraw/zinc/09/55/76/1067095576.db2.gz ITCVNIXREYRYAJ-HNNXBMFYSA-N 0 0 459.296 4.524 20 30 JJEDRN N#C[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1c(Cl)cccc1Cl ZINC001458613064 1067095721 /nfs/dbraw/zinc/09/57/21/1067095721.db2.gz HKWVGADMMXOODH-HXUWFJFHSA-N 0 0 459.354 4.962 20 30 JJEDRN COc1cc([C@@H](C#N)NC(=O)c2cc(-c3ccco3)nc3ccc(C)cc32)cc(OC)c1OC ZINC001458615171 1067096099 /nfs/dbraw/zinc/09/60/99/1067096099.db2.gz OMXAQVZHKOGOOP-OAQYLSRUSA-N 0 0 457.486 4.824 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 ZINC001458616238 1067096145 /nfs/dbraw/zinc/09/61/45/1067096145.db2.gz AIFMMPZHOIKGQL-GOSISDBHSA-N 0 0 458.374 4.911 20 30 JJEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(Br)cnc2Br)cc1 ZINC001458616179 1067096159 /nfs/dbraw/zinc/09/61/59/1067096159.db2.gz ABEIJIADCFJVKK-HNNXBMFYSA-N 0 0 451.162 4.899 20 30 JJEDRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)[C@H](C#N)CCc3ccccc3)c2)c1 ZINC001450631150 1067097488 /nfs/dbraw/zinc/09/74/88/1067097488.db2.gz VHPLEGJDQMACNC-QFIPXVFZSA-N 0 0 455.514 4.827 20 30 JJEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CCN(c4c(Cl)cccc4Cl)CC3)o2)cc1 ZINC001458623897 1067097791 /nfs/dbraw/zinc/09/77/91/1067097791.db2.gz OICOHANCSORZMA-UHFFFAOYSA-N 0 0 456.329 4.999 20 30 JJEDRN N#C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)c1ccc(Cl)c(Cl)c1 ZINC001458624799 1067097995 /nfs/dbraw/zinc/09/79/95/1067097995.db2.gz MXZZJVDYFXTPJB-MRXNPFEDSA-N 0 0 450.123 4.936 20 30 JJEDRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc4c(C#N)c[nH]c4c3)c2)c1 ZINC001450638819 1067098143 /nfs/dbraw/zinc/09/81/43/1067098143.db2.gz RMKPTQAVBXCBPV-UHFFFAOYSA-N 0 0 452.470 4.721 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C)OC ZINC001545798566 1067101333 /nfs/dbraw/zinc/10/13/33/1067101333.db2.gz NFWARMDKUKQMMQ-ZCYQVOJMSA-N 0 0 475.641 4.905 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C#N)CC1)OC ZINC001545798770 1067102496 /nfs/dbraw/zinc/10/24/96/1067102496.db2.gz RBKYAGITSWIADV-XMMPIXPASA-N 0 0 461.614 4.916 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)C3(c4ccc(C#N)cc4)CCCC3)CC2)C1 ZINC001450692794 1067104018 /nfs/dbraw/zinc/10/40/18/1067104018.db2.gz OHSCTBLBGGYCIP-JOCHJYFZSA-N 0 0 451.611 4.866 20 30 JJEDRN C=CCc1cc(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc(OC)c1OC ZINC001450692755 1067104048 /nfs/dbraw/zinc/10/40/48/1067104048.db2.gz NLMYZBFOZKHNTN-HXUWFJFHSA-N 0 0 458.599 4.542 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC001450735883 1067113109 /nfs/dbraw/zinc/11/31/09/1067113109.db2.gz AUKOATYMVHTVDR-UHFFFAOYSA-N 0 0 456.315 4.726 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001458734089 1067124835 /nfs/dbraw/zinc/12/48/35/1067124835.db2.gz NNILMADIXVDCTR-MWDXBVQZSA-N 0 0 459.681 4.754 20 30 JJEDRN C=CCCC[C@@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1)c1ccccc1 ZINC001458770813 1067137843 /nfs/dbraw/zinc/13/78/43/1067137843.db2.gz VGTYJXUODMQELP-DNQXCXABSA-N 0 0 452.620 4.510 20 30 JJEDRN C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccccc1OC ZINC001458772029 1067138543 /nfs/dbraw/zinc/13/85/43/1067138543.db2.gz HQNQAJIJWIOTOQ-LJQANCHMSA-N 0 0 458.946 4.830 20 30 JJEDRN CS(=O)(=O)c1cc(C(=O)N[C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)ccc1F ZINC001458781681 1067144149 /nfs/dbraw/zinc/14/41/49/1067144149.db2.gz JIXPQVSJVYLUAB-AWEZNQCLSA-N 0 0 457.367 4.672 20 30 JJEDRN C=CCn1c(SC[C@@H]2CCNC(=O)CC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC001458788072 1067147422 /nfs/dbraw/zinc/14/74/22/1067147422.db2.gz WTOORMBXCFIEAW-HNNXBMFYSA-N 0 0 457.596 4.767 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)c1c[nH]c2ncc(Br)cc12 ZINC001451177658 1067151822 /nfs/dbraw/zinc/15/18/22/1067151822.db2.gz KHYBFAGKRFTTPD-UHFFFAOYSA-N 0 0 451.118 4.905 20 30 JJEDRN CCC(CC)c1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)on1 ZINC001545823733 1067168106 /nfs/dbraw/zinc/16/81/06/1067168106.db2.gz WWXRBVGKVFGNGJ-CQSZACIVSA-N 0 0 474.407 4.582 20 30 JJEDRN Cc1cccc(-n2ccnc2SCC(=O)N[C@@H](C#N)c2cccc(Br)c2)c1C ZINC001545823827 1067168701 /nfs/dbraw/zinc/16/87/01/1067168701.db2.gz ALSHJXNARUGGKT-SFHVURJKSA-N 0 0 455.381 4.725 20 30 JJEDRN CCC(CC)c1cc(Cn2c(CCCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)on1 ZINC001545825109 1067171111 /nfs/dbraw/zinc/17/11/11/1067171111.db2.gz SJIDLJYBZHLDPW-VWLOTQADSA-N 0 0 450.562 4.835 20 30 JJEDRN CN(C)c1cc(F)c(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC001458873711 1067181790 /nfs/dbraw/zinc/18/17/90/1067181790.db2.gz DVPLTABNXVHGRP-HNNXBMFYSA-N 0 0 453.314 4.852 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2ccc3c(c2)C[C@@H](OC)C3)nnc1-c1ccc(Cl)cc1 ZINC001458879631 1067184383 /nfs/dbraw/zinc/18/43/83/1067184383.db2.gz UOWLVVLNJVFVDC-FQEVSTJZSA-N 0 0 454.983 4.629 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001545845615 1067197374 /nfs/dbraw/zinc/19/73/74/1067197374.db2.gz MGLKENNQYAIPOG-WMZOPIPTSA-N 0 0 454.541 4.620 20 30 JJEDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)COc2ccc(C#N)c(Br)c2)c1C ZINC001458941332 1067203853 /nfs/dbraw/zinc/20/38/53/1067203853.db2.gz DRQYHUPIBXTJJJ-UHFFFAOYSA-N 0 0 459.731 4.794 20 30 JJEDRN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccco1)C(=O)NC1(C#N)CCCCC1 ZINC001458977596 1067215617 /nfs/dbraw/zinc/21/56/17/1067215617.db2.gz JTYCHIRPLNHSPF-MRXNPFEDSA-N 0 0 453.543 4.549 20 30 JJEDRN CC(C)(C#N)c1ccccc1Cn1cnc2c(cnn2Cc2ccc(Cl)cc2Cl)c1=O ZINC001458979041 1067216370 /nfs/dbraw/zinc/21/63/70/1067216370.db2.gz AUTWGFMOYRYIIT-UHFFFAOYSA-N 0 0 452.345 4.798 20 30 JJEDRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1SCC#N ZINC001458981239 1067217165 /nfs/dbraw/zinc/21/71/65/1067217165.db2.gz XRZUHGRLVFDZAR-UHFFFAOYSA-N 0 0 453.593 4.532 20 30 JJEDRN O=C(CCCOc1ccc2c(c1)OCO2)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001458984210 1067219169 /nfs/dbraw/zinc/21/91/69/1067219169.db2.gz ZFWDWWOIUSNAEJ-UHFFFAOYSA-N 0 0 454.294 4.893 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@H](c3cccnc3)C2)c1 ZINC001452384253 1067220884 /nfs/dbraw/zinc/22/08/84/1067220884.db2.gz MCFRRCFNHHAZGP-NRFANRHFSA-N 0 0 456.571 4.704 20 30 JJEDRN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CCC(C#N)(c2ccccc2)c2ccccc2)C1=O ZINC001458990920 1067222060 /nfs/dbraw/zinc/22/20/60/1067222060.db2.gz BACNFXLRSVMYRT-HHHXNRCGSA-N 0 0 453.542 4.671 20 30 JJEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)nnc1-c1cccs1 ZINC001458992407 1067222651 /nfs/dbraw/zinc/22/26/51/1067222651.db2.gz HRVRIGZYIPVIJQ-HNNXBMFYSA-N 0 0 456.593 4.877 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc3c([nH]2)c(Cl)ccc3Br)C1 ZINC001452486389 1067226802 /nfs/dbraw/zinc/22/68/02/1067226802.db2.gz KDRUKOOCQFJFQM-HNNXBMFYSA-N 0 0 457.759 4.806 20 30 JJEDRN COc1ccc(Nc2ccc(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)cc2)c(OC)c1 ZINC001452482499 1067226832 /nfs/dbraw/zinc/22/68/32/1067226832.db2.gz AJDHKHRHGOLMDK-HSZRJFAPSA-N 0 0 456.546 4.670 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)nnc1-c1ccc(C)cc1 ZINC001459003396 1067227157 /nfs/dbraw/zinc/22/71/57/1067227157.db2.gz WNGMRHQLSRJUIB-QGZVFWFLSA-N 0 0 454.571 4.726 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccccc2NC(=O)OCc2ccccc2)C1 ZINC001452488032 1067227166 /nfs/dbraw/zinc/22/71/66/1067227166.db2.gz PMVYMIRSTFOQGM-HSZRJFAPSA-N 0 0 454.530 4.658 20 30 JJEDRN C=CCN(C(=O)c1c(F)ccc(Br)c1F)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001459003813 1067227270 /nfs/dbraw/zinc/22/72/70/1067227270.db2.gz ZYEAKDBQLYNZLN-KRWDZBQOSA-N 0 0 452.295 4.530 20 30 JJEDRN C=CC[C@@]1(C(=O)NCCCc2nc(-c3ccccn3)cs2)CCCN1C(=O)OC(C)(C)C ZINC001452496783 1067228734 /nfs/dbraw/zinc/22/87/34/1067228734.db2.gz PIUOESDLEARRSL-DEOSSOPVSA-N 0 0 456.612 4.600 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC001452680293 1067242830 /nfs/dbraw/zinc/24/28/30/1067242830.db2.gz HPODXNYALHMBGC-ODAXIHTASA-N 0 0 455.599 4.527 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC001452680260 1067242894 /nfs/dbraw/zinc/24/28/94/1067242894.db2.gz HPODXNYALHMBGC-AFXVXQJMSA-N 0 0 455.599 4.527 20 30 JJEDRN CC(C)c1cnc(S[C@@H](C(N)=O)c2ccc(C#N)cc2)n1-c1cccc(Br)c1 ZINC001459081197 1067247733 /nfs/dbraw/zinc/24/77/33/1067247733.db2.gz ZBEMSSOKWLYMQT-LJQANCHMSA-N 0 0 455.381 4.949 20 30 JJEDRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)c(F)c1 ZINC001452802021 1067253680 /nfs/dbraw/zinc/25/36/80/1067253680.db2.gz MYHKNIXELZHLSK-UHFFFAOYSA-N 0 0 452.313 4.959 20 30 JJEDRN C=CCc1cc(C(=O)N[C@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC001459126221 1067256591 /nfs/dbraw/zinc/25/65/91/1067256591.db2.gz RBLHMNHTUXCUSJ-QFIPXVFZSA-N 0 0 452.334 4.557 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001452862082 1067258083 /nfs/dbraw/zinc/25/80/83/1067258083.db2.gz HKJKFUBRUZHCAK-SFHVURJKSA-N 0 0 456.414 4.892 20 30 JJEDRN COc1ccc2ncc(C#N)c(OCc3cc(Cl)ccc3I)c2c1 ZINC001459147501 1067261002 /nfs/dbraw/zinc/26/10/02/1067261002.db2.gz ISXDGFAMRIZONI-UHFFFAOYSA-N 0 0 450.663 4.952 20 30 JJEDRN C[C@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cc(C#N)cc(N(C)C)c3)sc2[C@H](C)O1 ZINC001459158538 1067263608 /nfs/dbraw/zinc/26/36/08/1067263608.db2.gz HEQZCDQOPIUCIV-KBPBESRZSA-N 0 0 455.580 4.916 20 30 JJEDRN C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc2sc(Nc3ccccc3OC)nc2s1 ZINC001452934713 1067265661 /nfs/dbraw/zinc/26/56/61/1067265661.db2.gz CSMCXWKEAZYKMB-UHFFFAOYSA-N 0 0 457.577 4.527 20 30 JJEDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001459178659 1067266613 /nfs/dbraw/zinc/26/66/13/1067266613.db2.gz OZEUMMSVJGSAHQ-MOPGFXCFSA-N 0 0 458.375 4.766 20 30 JJEDRN C=C(C)[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC001459183238 1067267440 /nfs/dbraw/zinc/26/74/40/1067267440.db2.gz KOLOJJYCBOHRJI-IBGZPJMESA-N 0 0 452.299 4.673 20 30 JJEDRN C=CCOc1ccc(CN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C(C)(C)C)cc1 ZINC001459185593 1067268188 /nfs/dbraw/zinc/26/81/88/1067268188.db2.gz DOGROFZZGQBGOI-UHFFFAOYSA-N 0 0 459.384 4.951 20 30 JJEDRN C=C(C)[C@@H](NC(=O)c1cnn(C(C)(C)C)c1I)c1ccc(F)c(F)c1 ZINC001459186751 1067268204 /nfs/dbraw/zinc/26/82/04/1067268204.db2.gz UVDZLLYTGCKANQ-OAHLLOKOSA-N 0 0 459.278 4.568 20 30 JJEDRN C=CCOC(=O)c1sc(NC(=O)CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C(=O)OCC)c1C ZINC001459197785 1067270060 /nfs/dbraw/zinc/27/00/60/1067270060.db2.gz MZEQQAGDEDPBTG-OAGGEKHMSA-N 0 0 451.610 4.684 20 30 JJEDRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC001459212702 1067272253 /nfs/dbraw/zinc/27/22/53/1067272253.db2.gz VDHVWWXLCPDULB-LXKSKSEUSA-N 0 0 455.558 4.818 20 30 JJEDRN Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1NC(=O)OC(C)(C)C ZINC001459212839 1067272290 /nfs/dbraw/zinc/27/22/90/1067272290.db2.gz WJTHTCNHMUBTEM-UHFFFAOYSA-N 0 0 450.539 4.729 20 30 JJEDRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(CCC#N)CCC(C)C)O1 ZINC001546047602 1067276705 /nfs/dbraw/zinc/27/67/05/1067276705.db2.gz AWZDQZYOXNHYNE-RLWLMLJZSA-N 0 0 467.614 4.830 20 30 JJEDRN COc1cc(OC)c(OC)cc1CSCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC001459244830 1067277169 /nfs/dbraw/zinc/27/71/69/1067277169.db2.gz VZCFPQPUUJKHER-UHFFFAOYSA-N 0 0 457.596 4.989 20 30 JJEDRN Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1 ZINC001453110497 1067279228 /nfs/dbraw/zinc/27/92/28/1067279228.db2.gz GPPCRTZQFQZTOU-GOHHFNLLSA-N 0 0 466.553 4.782 20 30 JJEDRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H](C#N)CCc2ccccc2)cc1 ZINC001453117955 1067280261 /nfs/dbraw/zinc/28/02/61/1067280261.db2.gz HMWQHDDZDXJGHM-HVCNVCAESA-N 0 0 477.605 4.677 20 30 JJEDRN Cc1nc(Br)c(Br)n1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC001459278035 1067281416 /nfs/dbraw/zinc/28/14/16/1067281416.db2.gz HZKXVXCARRTVQH-OQLLNIDSSA-N 0 0 453.178 4.597 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)O1 ZINC001546047993 1067284241 /nfs/dbraw/zinc/28/42/41/1067284241.db2.gz GVASQLFXZBKOKS-AGILITTLSA-N 0 0 491.558 4.694 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CCOC)[C@H]2CC[C@H](C)C2)O1 ZINC001546048059 1067284985 /nfs/dbraw/zinc/28/49/85/1067284985.db2.gz HOKKRKFXVCXKPJ-VXJMNVAESA-N 0 0 451.615 4.806 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)CC#N)O1 ZINC001546048725 1067290871 /nfs/dbraw/zinc/29/08/71/1067290871.db2.gz PGTRGBYNCIOLOF-BIENJYKASA-N 0 0 452.422 4.855 20 30 JJEDRN CCCN(CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)Cc1ccc(C#N)cc1 ZINC001459313241 1067291067 /nfs/dbraw/zinc/29/10/67/1067291067.db2.gz UMMRCBOZDCMEDA-UHFFFAOYSA-N 0 0 450.564 4.550 20 30 JJEDRN C=CCn1c(SCC(=O)NC2(COC)CCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC001453327321 1067297706 /nfs/dbraw/zinc/29/77/06/1067297706.db2.gz BDQSBRKOHYQKSM-UHFFFAOYSA-N 0 0 455.411 4.605 20 30 JJEDRN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001459350895 1067301198 /nfs/dbraw/zinc/30/11/98/1067301198.db2.gz ZQKNJWVVXNNMRO-LYFYHCNISA-N 0 0 458.271 4.772 20 30 JJEDRN C[C@](CO)(NC(=O)c1cccc(COc2ccccc2C#N)c1)c1cccc(C(F)(F)F)c1 ZINC001453702047 1067323734 /nfs/dbraw/zinc/32/37/34/1067323734.db2.gz SXKFZORGLMRVBP-XMMPIXPASA-N 0 0 454.448 4.794 20 30 JJEDRN CC(=O)N1CCCCC[C@@H]1C1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC001459450932 1067326520 /nfs/dbraw/zinc/32/65/20/1067326520.db2.gz SZRIXDSIWKFHPV-WMZHIEFXSA-N 0 0 456.656 4.522 20 30 JJEDRN CN(C(=O)CN1CCC(Oc2cccc(C#N)c2)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001459452408 1067326916 /nfs/dbraw/zinc/32/69/16/1067326916.db2.gz UKFXMZLMUYYUGF-MUUNZHRXSA-N 0 0 457.549 4.789 20 30 JJEDRN COc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001459477488 1067334988 /nfs/dbraw/zinc/33/49/88/1067334988.db2.gz HNRKDUZXSCZSAJ-UHFFFAOYSA-N 0 0 452.298 4.564 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC001459554334 1067349882 /nfs/dbraw/zinc/34/98/82/1067349882.db2.gz AXYACQPWDRZOBV-FGZHOGPDSA-N 0 0 453.030 4.971 20 30 JJEDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC001459558239 1067350684 /nfs/dbraw/zinc/35/06/84/1067350684.db2.gz HUVVZEHIOQBQNO-KRWDZBQOSA-N 0 0 457.043 4.859 20 30 JJEDRN CC1(C)NC(=O)N(c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)C1=O ZINC001459620394 1067365875 /nfs/dbraw/zinc/36/58/75/1067365875.db2.gz VJJIPVNEFKPIOT-UHFFFAOYSA-N 0 0 456.527 4.797 20 30 JJEDRN Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)nn1-c1cccc(C#N)c1 ZINC001459620012 1067365929 /nfs/dbraw/zinc/36/59/29/1067365929.db2.gz NCMXQOFDLTYZQS-OAQYLSRUSA-N 0 0 453.315 4.931 20 30 JJEDRN CC1(C)NC(=O)N(c2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)C1=O ZINC001459621859 1067366474 /nfs/dbraw/zinc/36/64/74/1067366474.db2.gz ZOMKLTUPAZKLSR-UHFFFAOYSA-N 0 0 454.486 4.632 20 30 JJEDRN Cc1cc2cc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)oc2c(Br)c1 ZINC001459634281 1067369370 /nfs/dbraw/zinc/36/93/70/1067369370.db2.gz OPRFWAVAHKVFNV-UHFFFAOYSA-N 0 0 458.743 4.991 20 30 JJEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001459636698 1067369678 /nfs/dbraw/zinc/36/96/78/1067369678.db2.gz WLAXPDMGGDDIBL-RNODOKPDSA-N 0 0 453.892 4.744 20 30 JJEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(Cc2ccccc2Cl)CC1 ZINC001459656859 1067372957 /nfs/dbraw/zinc/37/29/57/1067372957.db2.gz VJPZWXYTSOMBBE-KRWDZBQOSA-N 0 0 457.043 4.687 20 30 JJEDRN Cc1nc(CN(Cc2ccc(C#N)cc2)c2ccc3[nH]c(=O)[nH]c3c2)sc1Br ZINC001459695660 1067386449 /nfs/dbraw/zinc/38/64/49/1067386449.db2.gz GDACBJWKUDZSDZ-UHFFFAOYSA-N 0 0 454.353 4.874 20 30 JJEDRN C[C@]1(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001459739048 1067400380 /nfs/dbraw/zinc/40/03/80/1067400380.db2.gz UFTLAGUGHAIHLI-MHZLTWQESA-N 0 0 455.514 4.882 20 30 JJEDRN N#Cc1ccc(CN(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC001459743113 1067402504 /nfs/dbraw/zinc/40/25/04/1067402504.db2.gz QQGVIIIBVGBDSY-UHFFFAOYSA-N 0 0 452.873 4.900 20 30 JJEDRN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001459747762 1067404509 /nfs/dbraw/zinc/40/45/09/1067404509.db2.gz ILWRHCPPCOFXJD-SFHVURJKSA-N 0 0 450.292 4.583 20 30 JJEDRN O=C(c1ccc(OC(F)(F)F)cc1C(F)(F)F)N1CCC(Oc2ncccc2F)CC1 ZINC001459757261 1067409392 /nfs/dbraw/zinc/40/93/92/1067409392.db2.gz YIMMGWCQTKPPBN-UHFFFAOYSA-N 0 0 452.326 4.822 20 30 JJEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001459782021 1067418993 /nfs/dbraw/zinc/41/89/93/1067418993.db2.gz VUFFBLVTDUDCCG-KRWDZBQOSA-N 0 0 455.990 4.926 20 30 JJEDRN CCc1c(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cnn1-c1cccc(Cl)c1 ZINC001459791393 1067424380 /nfs/dbraw/zinc/42/43/80/1067424380.db2.gz OJOFBRRLCKBFDQ-UHFFFAOYSA-N 0 0 451.933 4.954 20 30 JJEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC001459830179 1067443331 /nfs/dbraw/zinc/44/33/31/1067443331.db2.gz ZQECIJZDCSSVEE-WZONZLPQSA-N 0 0 453.608 4.625 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC001459874335 1067468859 /nfs/dbraw/zinc/46/88/59/1067468859.db2.gz GLNDKZVKMDVMLR-XXBNENTESA-N 0 0 457.521 4.614 20 30 JJEDRN Cc1cnc(C2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3cccc(F)c3)CC2)s1 ZINC001459949261 1067503490 /nfs/dbraw/zinc/50/34/90/1067503490.db2.gz GANZPCINBBTMBV-UHFFFAOYSA-N 0 0 451.571 4.688 20 30 JJEDRN COc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC001459952857 1067505334 /nfs/dbraw/zinc/50/53/34/1067505334.db2.gz MCRXAWYMQITDKX-LJQANCHMSA-N 0 0 451.567 4.587 20 30 JJEDRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001459956484 1067506352 /nfs/dbraw/zinc/50/63/52/1067506352.db2.gz BFZKDIOLSIHDAW-CECAUBDESA-N 0 0 451.954 4.573 20 30 JJEDRN C[C@H]1CN(c2ccc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC001459999631 1067520904 /nfs/dbraw/zinc/52/09/04/1067520904.db2.gz XRFMATZDDJHHGF-OALUTQOASA-N 0 0 457.578 4.907 20 30 JJEDRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc2ccnn2c1C(F)F ZINC001460000701 1067521456 /nfs/dbraw/zinc/52/14/56/1067521456.db2.gz ZDCLVDMUKFKPLJ-UHFFFAOYSA-N 0 0 452.305 4.977 20 30 JJEDRN COc1cc(CN(C)CC(=O)N(C)[C@@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC001460003360 1067522756 /nfs/dbraw/zinc/52/27/56/1067522756.db2.gz FSSZAZSTPQCYTJ-NRFANRHFSA-N 0 0 457.574 4.797 20 30 JJEDRN O=C(NCCCC(F)(F)F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001460005347 1067523574 /nfs/dbraw/zinc/52/35/74/1067523574.db2.gz KEENGYZVHXANHH-UHFFFAOYSA-N 0 0 450.717 4.949 20 30 JJEDRN CCOC(=O)c1c(NC(=O)[C@@H](c2ccccc2)N2CC(C)(C#N)C2)sc2c1CC[C@H](C)C2 ZINC001460044964 1067537885 /nfs/dbraw/zinc/53/78/85/1067537885.db2.gz YXQLGUYROJDHCN-HRAATJIYSA-N 0 0 451.592 4.575 20 30 JJEDRN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001460046009 1067538429 /nfs/dbraw/zinc/53/84/29/1067538429.db2.gz JSNYQUATMZIZQA-MGPUTAFESA-N 0 0 450.892 4.568 20 30 JJEDRN COc1cc(-c2nc(CN3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)cs2)ccc1O ZINC001460047603 1067538741 /nfs/dbraw/zinc/53/87/41/1067538741.db2.gz SPKYCCKADDUDGD-HXUWFJFHSA-N 0 0 454.983 4.560 20 30 JJEDRN O=C(CN1CCOC[C@H]1c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460112346 1067557358 /nfs/dbraw/zinc/55/73/58/1067557358.db2.gz QOQMUKNNPVUEFX-KRWDZBQOSA-N 0 0 450.354 4.875 20 30 JJEDRN O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001460122453 1067559341 /nfs/dbraw/zinc/55/93/41/1067559341.db2.gz FMLXPDCBVKQPGG-YPMHNXCESA-N 0 0 460.300 4.632 20 30 JJEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCN(c2cccc(F)c2F)CC1 ZINC001460131811 1067561163 /nfs/dbraw/zinc/56/11/63/1067561163.db2.gz VVQAMQLSGRGJBL-INIZCTEOSA-N 0 0 458.578 4.706 20 30 JJEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460139647 1067563128 /nfs/dbraw/zinc/56/31/28/1067563128.db2.gz IZXBTMONLHCSDL-NSHDSACASA-N 0 0 454.543 4.790 20 30 JJEDRN N#CCc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)c1 ZINC001460142450 1067563483 /nfs/dbraw/zinc/56/34/83/1067563483.db2.gz MLOFWDGJMMSWGP-UHFFFAOYSA-N 0 0 455.774 4.893 20 30 JJEDRN COC(=O)[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccc(C)c(C)c1 ZINC001460220449 1067582841 /nfs/dbraw/zinc/58/28/41/1067582841.db2.gz YYDZJBDUJLYOOF-DEOSSOPVSA-N 0 0 450.583 4.541 20 30 JJEDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC001460277400 1067596115 /nfs/dbraw/zinc/59/61/15/1067596115.db2.gz JPWMGZGSTHZYED-MRXNPFEDSA-N 0 0 455.484 4.861 20 30 JJEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCc3ccc(Cl)c(Cl)c3C2)c1C#N ZINC001460359397 1067617752 /nfs/dbraw/zinc/61/77/52/1067617752.db2.gz CIICFALYQKZLTP-UHFFFAOYSA-N 0 0 457.361 4.922 20 30 JJEDRN C[C@]12CCN(Cc3ccc(Br)cc3C#N)C[C@H]1C2(Br)Br ZINC001460418293 1067631697 /nfs/dbraw/zinc/63/16/97/1067631697.db2.gz PGJPWGGGPZQYAT-KGLIPLIRSA-N 0 0 463.011 4.649 20 30 JJEDRN C[C@@H](N[C@@H](CO)c1cccc(Cl)c1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460468200 1067639561 /nfs/dbraw/zinc/63/95/61/1067639561.db2.gz CEZUQMWLXRXNNG-PXAZEXFGSA-N 0 0 452.407 4.846 20 30 JJEDRN N#Cc1ccccc1COc1cccc(C(=O)NCCc2cnc(SC3CCCC3)nc2)c1 ZINC001460476348 1067640930 /nfs/dbraw/zinc/64/09/30/1067640930.db2.gz GMBULRWCSVITDJ-UHFFFAOYSA-N 0 0 458.587 4.934 20 30 JJEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)c2ccccc2Br)c1C#N ZINC001460514422 1067647057 /nfs/dbraw/zinc/64/70/57/1067647057.db2.gz ZRDPSRQDXWMNBF-UHFFFAOYSA-N 0 0 451.368 4.862 20 30 JJEDRN C[C@H]1c2c(C#N)c(NC(=O)[C@H]3C[C@@H](F)CN3C(=O)OCc3ccccc3)sc2CC[C@@H]1C ZINC001460566207 1067657221 /nfs/dbraw/zinc/65/72/21/1067657221.db2.gz DBHFBSHXASFCLE-BUIAKZPTSA-N 0 0 455.555 4.993 20 30 JJEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ncc(-c4ccc(Br)cc4)s3)n2)c1 ZINC001460592223 1067664147 /nfs/dbraw/zinc/66/41/47/1067664147.db2.gz PGVJBLMXRBQFKO-UHFFFAOYSA-N 0 0 450.321 4.882 20 30 JJEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC001460598322 1067665950 /nfs/dbraw/zinc/66/59/50/1067665950.db2.gz JOXSNNRNBYFRGP-UHFFFAOYSA-N 0 0 452.505 4.744 20 30 JJEDRN O=C(CN1CC[C@@H](Oc2cccc(F)c2)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460641059 1067682159 /nfs/dbraw/zinc/68/21/59/1067682159.db2.gz XDIVZJDUUDZXRJ-QGZVFWFLSA-N 0 0 450.354 4.955 20 30 JJEDRN N#Cc1cccc([C@H](NCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C(F)(F)F)c1 ZINC001460677820 1067697660 /nfs/dbraw/zinc/69/76/60/1067697660.db2.gz PFEWKTKFURHQNV-PKTZIBPZSA-N 0 0 455.505 4.987 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)nnc1-c1ccc(Cl)cc1 ZINC001460725121 1067710314 /nfs/dbraw/zinc/71/03/14/1067710314.db2.gz TXFKYIHQAMDFQF-QZTJIDSGSA-N 0 0 475.039 4.975 20 30 JJEDRN Cc1cc(Br)c2c(c1)CCCN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001460760699 1067718574 /nfs/dbraw/zinc/71/85/74/1067718574.db2.gz KHLAMIJGHPPDQS-KRWDZBQOSA-N 0 0 450.377 4.624 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001460781348 1067722592 /nfs/dbraw/zinc/72/25/92/1067722592.db2.gz NHCFZSVGHWKQDI-UHFFFAOYSA-N 0 0 456.090 4.937 20 30 JJEDRN C#C[C@H](NC(=O)[C@@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC)c1ccc(Br)cc1 ZINC001460783345 1067722917 /nfs/dbraw/zinc/72/29/17/1067722917.db2.gz BTMMEVZZYDXGHY-OTWHNJEPSA-N 0 0 459.340 4.503 20 30 JJEDRN N#C[C@@H]1CCC[C@@H](OC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C1 ZINC001460798257 1067725929 /nfs/dbraw/zinc/72/59/29/1067725929.db2.gz QJSQFTHXWOQEKH-FOIQADDNSA-N 0 0 454.502 4.930 20 30 JJEDRN Cc1cc(Br)cc(C)c1NC(=O)CCCN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001460858287 1067735927 /nfs/dbraw/zinc/73/59/27/1067735927.db2.gz KFFCDLJYAULTBQ-OAQYLSRUSA-N 0 0 456.384 4.730 20 30 JJEDRN O=C(CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)Nc1cccc2ccccc21 ZINC001460877941 1067740890 /nfs/dbraw/zinc/74/08/90/1067740890.db2.gz QOLQBXGQUGBXJW-KBPBESRZSA-N 0 0 452.345 4.881 20 30 JJEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCN(c3cccc(Cl)c3C)CC2)c1C#N ZINC001460915628 1067747366 /nfs/dbraw/zinc/74/73/66/1067747366.db2.gz PZDFRXADIWAZSM-UHFFFAOYSA-N 0 0 454.018 4.814 20 30 JJEDRN COC(=O)[C@]1(NCC(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@@H](C)c2ccccc21 ZINC001460972843 1067755068 /nfs/dbraw/zinc/75/50/68/1067755068.db2.gz ZWABVQMBBWBCAM-GAKIBJFNSA-N 0 0 451.592 4.575 20 30 JJEDRN N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)nc1 ZINC001460994318 1067759370 /nfs/dbraw/zinc/75/93/70/1067759370.db2.gz FOSPOHSRYGDKDW-UHFFFAOYSA-N 0 0 454.408 4.911 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC001461064909 1067774358 /nfs/dbraw/zinc/77/43/58/1067774358.db2.gz JHJCTTSDDBXPPL-SJCJKPOMSA-N 0 0 453.258 4.885 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC001461067950 1067774975 /nfs/dbraw/zinc/77/49/75/1067774975.db2.gz VNXSACBJABQJGN-LLVKDONJSA-N 0 0 455.230 4.751 20 30 JJEDRN C#CC[C@H]1CCCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)C1 ZINC001461143289 1067788316 /nfs/dbraw/zinc/78/83/16/1067788316.db2.gz YAFSAEWYIWSZEA-KRWDZBQOSA-N 0 0 454.983 4.594 20 30 JJEDRN C[C@@H](OCc1ccc(F)cc1)C(=O)Oc1c(Br)cc(C#N)cc1Br ZINC001461149662 1067789861 /nfs/dbraw/zinc/78/98/61/1067789861.db2.gz NKIHBAKKOGPLNA-SNVBAGLBSA-N 0 0 457.093 4.733 20 30 JJEDRN N#Cc1cccc(COc2cccc(CNc3cccc(C(=O)N4CCC[C@H](CO)C4)c3)c2)c1 ZINC001461312939 1067825875 /nfs/dbraw/zinc/82/58/75/1067825875.db2.gz JQDGOEOVPMPCGM-DEOSSOPVSA-N 0 0 455.558 4.594 20 30 JJEDRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001461339888 1067833437 /nfs/dbraw/zinc/83/34/37/1067833437.db2.gz GQEWLHCFYBRTPN-PMACEKPBSA-N 0 0 459.587 4.517 20 30 JJEDRN Cc1cc([C@@H](CC(=O)N2CCCc3c(C#N)cccc32)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001461365196 1067839338 /nfs/dbraw/zinc/83/93/38/1067839338.db2.gz VELAPSBTOHFZGY-LJQANCHMSA-N 0 0 454.958 4.850 20 30 JJEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c(F)ccc(C(F)(F)F)c1Br ZINC001461426154 1067853527 /nfs/dbraw/zinc/85/35/27/1067853527.db2.gz ZXIJZMRLCDFYNQ-UHFFFAOYSA-N 0 0 454.225 4.980 20 30 JJEDRN N#CCCCN1C(=O)CCc2cc(NCC3=Cc4cc(Br)ccc4OC3)ccc21 ZINC001461432490 1067855061 /nfs/dbraw/zinc/85/50/61/1067855061.db2.gz HUSLLGCRQIZKRB-UHFFFAOYSA-N 0 0 452.352 4.920 20 30 JJEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NCc2ccc3ccc(F)c(F)c3n2)c1 ZINC001461549508 1067886032 /nfs/dbraw/zinc/88/60/32/1067886032.db2.gz GTKXTLRSSCIOGI-HFTWOUSFSA-N 0 0 458.534 4.718 20 30 JJEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NCc2ccc3ccc(F)c(F)c3n2)c1 ZINC001461549514 1067886046 /nfs/dbraw/zinc/88/60/46/1067886046.db2.gz GTKXTLRSSCIOGI-SGWCAAJKSA-N 0 0 458.534 4.718 20 30 JJEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NCc2ccc(Br)c(Cl)c2)c1 ZINC001461553015 1067886504 /nfs/dbraw/zinc/88/65/04/1067886504.db2.gz MGHGBUVAHXZBCM-RELWKKBWSA-N 0 0 456.793 4.527 20 30 JJEDRN CCOC(=O)Nc1ccc(NCc2cn(-c3ccccc3Br)nc2C)cc1C#N ZINC001461563996 1067889263 /nfs/dbraw/zinc/88/92/63/1067889263.db2.gz HOPQTFGSBHVFNZ-UHFFFAOYSA-N 0 0 454.328 4.995 20 30 JJEDRN N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC001461663259 1067912826 /nfs/dbraw/zinc/91/28/26/1067912826.db2.gz XKEWQJSWIKHOMI-FYYLOGMGSA-N 0 0 452.432 4.802 20 30 JJEDRN CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@H](C#N)C2)CCC1 ZINC001546126378 1067920849 /nfs/dbraw/zinc/92/08/49/1067920849.db2.gz VVNXSSLNOQMLRQ-AZUAARDMSA-N 0 0 458.006 4.997 20 30 JJEDRN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C)CC(=C)C)c1 ZINC001461702578 1067921625 /nfs/dbraw/zinc/92/16/25/1067921625.db2.gz PNYXBLJEJGXWSD-UHFFFAOYSA-N 0 0 452.498 4.735 20 30 JJEDRN CCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001461718084 1067924451 /nfs/dbraw/zinc/92/44/51/1067924451.db2.gz HWIAOJMPZYWRLP-OAHLLOKOSA-N 0 0 457.500 4.649 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC001461770926 1067933874 /nfs/dbraw/zinc/93/38/74/1067933874.db2.gz YVXOWRJPFNHZBX-CEXWTWQISA-N 0 0 459.011 4.887 20 30 JJEDRN C#CC[C@@]1(C(=O)Oc2ccc3cccnc3c2Br)CCCN1C(=O)OC(C)(C)C ZINC001461790567 1067937508 /nfs/dbraw/zinc/93/75/08/1067937508.db2.gz ZIJYLHXBFKDGBI-QFIPXVFZSA-N 0 0 459.340 4.696 20 30 JJEDRN C#Cc1ccc(NCc2ccc(Br)cc2SCCS(C)(=O)=O)c(Cl)c1 ZINC001461794980 1067938287 /nfs/dbraw/zinc/93/82/87/1067938287.db2.gz LFTGRMOWSINBNO-UHFFFAOYSA-N 0 0 458.830 4.833 20 30 JJEDRN Fc1cccc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1I ZINC001461881630 1067953782 /nfs/dbraw/zinc/95/37/82/1067953782.db2.gz BEBDLKUSRPRIJL-AOOOYVTPSA-N 0 0 455.155 4.993 20 30 JJEDRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nc3cc(C#N)ccc3[nH]2)CC1 ZINC001461918507 1067960944 /nfs/dbraw/zinc/96/09/44/1067960944.db2.gz AXLBKADVNBTURC-PQNGQFLHSA-N 0 0 457.578 4.563 20 30 JJEDRN Cc1cc(F)ccc1N(CC#N)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001462017156 1067981979 /nfs/dbraw/zinc/98/19/79/1067981979.db2.gz PNTIYHQXXQFHMI-UHFFFAOYSA-N 0 0 456.271 4.912 20 30 JJEDRN F[C@@H]1CC2(CC[C@@H]1N1CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1)OCCO2 ZINC001462137736 1068013381 /nfs/dbraw/zinc/01/33/81/1068013381.db2.gz NNNHHBKPXFAWRL-IXDOHACOSA-N 0 0 457.386 4.731 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1C(C)(F)F ZINC001462341870 1068055168 /nfs/dbraw/zinc/05/51/68/1068055168.db2.gz AWPHJWUGCGTSNR-UHFFFAOYSA-N 0 0 457.246 4.988 20 30 JJEDRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001462523515 1068091124 /nfs/dbraw/zinc/09/11/24/1068091124.db2.gz LOBKUNBAFFNDMG-LSDHHAIUSA-N 0 0 458.337 4.730 20 30 JJEDRN O=C(NC[C@H]1CCC2(CCOCC2)CO1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001462529494 1068092345 /nfs/dbraw/zinc/09/23/45/1068092345.db2.gz FFROCKUGZXHQJU-OAHLLOKOSA-N 0 0 457.386 4.682 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCN(C(=O)COc2ccc(C#N)cc2)C1)C1CCCC1 ZINC001462633446 1068118920 /nfs/dbraw/zinc/11/89/20/1068118920.db2.gz FLJBYCGURNFQQG-OFNKIYASSA-N 0 0 455.599 4.649 20 30 JJEDRN O=C(NCCCC(F)F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC001462694809 1068134174 /nfs/dbraw/zinc/13/41/74/1068134174.db2.gz BBLJQJDMORFBTE-UHFFFAOYSA-N 0 0 450.717 4.733 20 30 JJEDRN Cc1c(NC(=O)c2sccc2CC#N)cc(I)cc1C(F)(F)F ZINC001462702426 1068135783 /nfs/dbraw/zinc/13/57/83/1068135783.db2.gz OVEIBAFCGMMQDF-UHFFFAOYSA-N 0 0 450.223 4.998 20 30 JJEDRN C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC001462751066 1068155090 /nfs/dbraw/zinc/15/50/90/1068155090.db2.gz FCWHDBKRTZXUCP-INIZCTEOSA-N 0 0 455.377 4.820 20 30 JJEDRN O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001462769957 1068161826 /nfs/dbraw/zinc/16/18/26/1068161826.db2.gz QTDCBIAGAGZEJC-LBPRGKRZSA-N 0 0 450.148 4.854 20 30 JJEDRN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462835335 1068184555 /nfs/dbraw/zinc/18/45/55/1068184555.db2.gz WPPLMXRMWPTLCX-OAHLLOKOSA-N 0 0 454.939 4.895 20 30 JJEDRN COc1ccc(C(=O)Nc2sc3c(c2C#N)C(C)(C)CC3)c(I)c1 ZINC001462934766 1068220589 /nfs/dbraw/zinc/22/05/89/1068220589.db2.gz LOQFYANHUPSXRF-UHFFFAOYSA-N 0 0 452.317 4.709 20 30 JJEDRN COc1ccc(Br)cc1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC001462967880 1068232281 /nfs/dbraw/zinc/23/22/81/1068232281.db2.gz NMPGIAUECCXWID-INIZCTEOSA-N 0 0 455.761 4.509 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)Cc1cc(Br)ccc1F ZINC001463000384 1068245103 /nfs/dbraw/zinc/24/51/03/1068245103.db2.gz UQPGWPJTFGHLJF-UHFFFAOYSA-N 0 0 453.358 4.804 20 30 JJEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001463005580 1068246933 /nfs/dbraw/zinc/24/69/33/1068246933.db2.gz YLJAPOLBMYSGKU-HXUWFJFHSA-N 0 0 454.514 4.687 20 30 JJEDRN COc1cc(F)c(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1OC ZINC001463016661 1068253186 /nfs/dbraw/zinc/25/31/86/1068253186.db2.gz MZUWKEXJFWHDNT-UHFFFAOYSA-N 0 0 458.486 4.558 20 30 JJEDRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)cc2)cc1 ZINC001463087496 1068283043 /nfs/dbraw/zinc/28/30/43/1068283043.db2.gz HKMKVKOYFLYYPY-UHFFFAOYSA-N 0 0 458.583 4.860 20 30 JJEDRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001463090489 1068283588 /nfs/dbraw/zinc/28/35/88/1068283588.db2.gz AVOCHVIJNHJSPJ-HXUWFJFHSA-N 0 0 455.345 4.632 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)c3cc(Cl)ccc3I)CC2)cc1 ZINC001463097589 1068285293 /nfs/dbraw/zinc/28/52/93/1068285293.db2.gz XJKFBUWZKRFFFY-UHFFFAOYSA-N 0 0 450.707 4.836 20 30 JJEDRN CCCOC(=O)c1ccc(S(=O)(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001463108568 1068290122 /nfs/dbraw/zinc/29/01/22/1068290122.db2.gz JVLLMOMAGITRQT-QGZVFWFLSA-N 0 0 450.862 4.786 20 30 JJEDRN COc1cc(OC)c(S(=O)(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc1Cl ZINC001463113069 1068291683 /nfs/dbraw/zinc/29/16/83/1068291683.db2.gz VZMAEPNXBACSPZ-MRXNPFEDSA-N 0 0 459.269 4.890 20 30 JJEDRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)cc1 ZINC001463146343 1068302146 /nfs/dbraw/zinc/30/21/46/1068302146.db2.gz HUAKVAQHEGIWCK-UIOOFZCWSA-N 0 0 459.571 4.772 20 30 JJEDRN CC1CCN(c2ccc(F)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC001463156414 1068306074 /nfs/dbraw/zinc/30/60/74/1068306074.db2.gz URXZNACNRGLHMR-QGZVFWFLSA-N 0 0 454.933 4.579 20 30 JJEDRN C=CC[S@](=O)(=NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccccc1 ZINC001463271727 1068340490 /nfs/dbraw/zinc/34/04/90/1068340490.db2.gz PTXVSMXZFVMODT-ACSYHNTCSA-N 0 0 453.391 4.606 20 30 JJEDRN Cc1ccc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)c(OCCC(C)C)c1 ZINC001463286916 1068345467 /nfs/dbraw/zinc/34/54/67/1068345467.db2.gz ZRWYCUKNYJIDFJ-UHFFFAOYSA-N 0 0 451.386 4.533 20 30 JJEDRN C#C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC001463303024 1068350126 /nfs/dbraw/zinc/35/01/26/1068350126.db2.gz ABFIHSIBHRWFOP-DEOSSOPVSA-N 0 0 458.583 4.710 20 30 JJEDRN COc1ccc(S(=O)(=O)Oc2ccccc2Oc2ccc(C#N)cc2F)c2cccnc12 ZINC001463344656 1068364376 /nfs/dbraw/zinc/36/43/76/1068364376.db2.gz ASNHKURYHDXHQM-UHFFFAOYSA-N 0 0 450.447 4.814 20 30 JJEDRN Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001463486579 1068416354 /nfs/dbraw/zinc/41/63/54/1068416354.db2.gz WVJYDGDETCWBIV-OAHLLOKOSA-N 0 0 454.367 4.997 20 30 JJEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001463557080 1068440989 /nfs/dbraw/zinc/44/09/89/1068440989.db2.gz GMFCGNXWAJSKOF-QGZVFWFLSA-N 0 0 457.752 4.933 20 30 JJEDRN CC1(c2ccc(Cl)cc2)CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC001463656095 1068483745 /nfs/dbraw/zinc/48/37/45/1068483745.db2.gz NUWUYNNWIWVMPK-UHFFFAOYSA-N 0 0 453.789 4.717 20 30 JJEDRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC001463674626 1068490502 /nfs/dbraw/zinc/49/05/02/1068490502.db2.gz PNVMXJDDULFVEI-LBPRGKRZSA-N 0 0 450.404 4.848 20 30 JJEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1C ZINC001463757399 1068514091 /nfs/dbraw/zinc/51/40/91/1068514091.db2.gz XJDJCOCJLSUJFL-KRWDZBQOSA-N 0 0 453.571 4.591 20 30 JJEDRN Cc1ccc(Oc2ccc(OCC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cc2)cc1 ZINC001463792778 1068525867 /nfs/dbraw/zinc/52/58/67/1068525867.db2.gz DVUQAPVRTJZHNU-SANMLTNESA-N 0 0 459.521 4.714 20 30 JJEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC001463799284 1068528644 /nfs/dbraw/zinc/52/86/44/1068528644.db2.gz ZMNNRQYTTLRWDL-GOSISDBHSA-N 0 0 458.356 4.826 20 30 JJEDRN Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)nn1-c1ccc(Cl)cc1Cl ZINC001463798979 1068528692 /nfs/dbraw/zinc/52/86/92/1068528692.db2.gz XJUQWYRMXNTRSV-QFIPXVFZSA-N 0 0 454.361 4.510 20 30 JJEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC001463800034 1068529058 /nfs/dbraw/zinc/52/90/58/1068529058.db2.gz ISGPPWNTVRQBOL-QFIPXVFZSA-N 0 0 450.995 4.779 20 30 JJEDRN CC(C)n1c2ccc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)cc2nc1C(F)(F)F ZINC001463800739 1068529537 /nfs/dbraw/zinc/52/95/37/1068529537.db2.gz NEOSHTOJNDHFLR-OAQYLSRUSA-N 0 0 455.484 4.659 20 30 JJEDRN CC(C)n1c2ccc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)cc2nc1C(F)(F)F ZINC001463800738 1068529582 /nfs/dbraw/zinc/52/95/82/1068529582.db2.gz NEOSHTOJNDHFLR-NRFANRHFSA-N 0 0 455.484 4.659 20 30 JJEDRN O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463801316 1068530315 /nfs/dbraw/zinc/53/03/15/1068530315.db2.gz BKZTWEAFZOYMCJ-UHFFFAOYSA-N 0 0 452.345 4.960 20 30 JJEDRN O=S(=O)(Oc1cc(Br)cc(C(F)(F)F)c1)c1c(F)c(F)cc(F)c1F ZINC001463819715 1068535185 /nfs/dbraw/zinc/53/51/85/1068535185.db2.gz QGBOBEHIWHZYNQ-UHFFFAOYSA-N 0 0 453.129 4.792 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001463860264 1068549811 /nfs/dbraw/zinc/54/98/11/1068549811.db2.gz PKKIBEFHKJTTNR-FCHUYYIVSA-N 0 0 452.599 4.675 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3c(F)c(C)cc([N+](=O)[O-])c3F)c2)c1 ZINC001463897868 1068559402 /nfs/dbraw/zinc/55/94/02/1068559402.db2.gz FMINXBAVIGTHMU-UHFFFAOYSA-N 0 0 450.397 4.620 20 30 JJEDRN C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)C1 ZINC001463951045 1068573146 /nfs/dbraw/zinc/57/31/46/1068573146.db2.gz UAFPEWOFOCIWRA-HNNXBMFYSA-N 0 0 452.345 4.805 20 30 JJEDRN O=S(=O)(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463972991 1068579069 /nfs/dbraw/zinc/57/90/69/1068579069.db2.gz CUODPXYTBMFGJO-PWSUYJOCSA-N 0 0 459.330 4.503 20 30 JJEDRN O=S(=O)(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463972988 1068579220 /nfs/dbraw/zinc/57/92/20/1068579220.db2.gz CUODPXYTBMFGJO-CMPLNLGQSA-N 0 0 459.330 4.503 20 30 JJEDRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(C#N)c1 ZINC001464068065 1068604265 /nfs/dbraw/zinc/60/42/65/1068604265.db2.gz OULJRBPFGVRETH-OAQYLSRUSA-N 0 0 453.542 4.739 20 30 JJEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CNC(=O)Cc1cccc2ccccc21 ZINC001464082355 1068608327 /nfs/dbraw/zinc/60/83/27/1068608327.db2.gz OHTIVYHDGXMMMT-UHFFFAOYSA-N 0 0 450.498 4.505 20 30 JJEDRN O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001464090517 1068611593 /nfs/dbraw/zinc/61/15/93/1068611593.db2.gz FMUCKQRINHXZLW-ZNIXKSQXSA-N 0 0 474.396 4.923 20 30 JJEDRN CN(C(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1)C1CCOCC1 ZINC001464099149 1068614688 /nfs/dbraw/zinc/61/46/88/1068614688.db2.gz YEEUOBHFPLDLCP-UHFFFAOYSA-N 0 0 454.530 4.805 20 30 JJEDRN O=S(=O)(Oc1cc(C(F)(F)F)ccc1Br)c1c(F)c(F)cc(F)c1F ZINC001464134118 1068628414 /nfs/dbraw/zinc/62/84/14/1068628414.db2.gz FXBXPTYSQDHCDD-UHFFFAOYSA-N 0 0 453.129 4.792 20 30 JJEDRN CC(C)CN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC001464156984 1068636229 /nfs/dbraw/zinc/63/62/29/1068636229.db2.gz FWJDNPATRWTSGJ-UHFFFAOYSA-N 0 0 459.768 4.960 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC001464220935 1068663011 /nfs/dbraw/zinc/66/30/11/1068663011.db2.gz AMIQVLGZAPUNOH-MRXNPFEDSA-N 0 0 459.812 4.879 20 30 JJEDRN N#Cc1ccc(Cc2cnc(NC(=O)[C@H](O)c3ccccc3Cl)s2)c(C(F)(F)F)c1 ZINC001464292384 1068694218 /nfs/dbraw/zinc/69/42/18/1068694218.db2.gz JYQWXAQMISJNBD-QGZVFWFLSA-N 0 0 451.857 4.950 20 30 JJEDRN Cc1nc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)sc1Cc1cccc(F)c1 ZINC001464309965 1068700758 /nfs/dbraw/zinc/70/07/58/1068700758.db2.gz OQWXXKUYNYPSAP-UHFFFAOYSA-N 0 0 457.571 4.770 20 30 JJEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001464317763 1068703296 /nfs/dbraw/zinc/70/32/96/1068703296.db2.gz ZTFQYRGSXGBIIR-HXUWFJFHSA-N 0 0 456.461 4.511 20 30 JJEDRN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC001464394744 1068730213 /nfs/dbraw/zinc/73/02/13/1068730213.db2.gz OKFSLHPNCWJTLJ-OAHLLOKOSA-N 0 0 455.324 4.556 20 30 JJEDRN C[C@H](C#N)CN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001464395054 1068730301 /nfs/dbraw/zinc/73/03/01/1068730301.db2.gz DTSGFVUPEMFNKS-BCHFMIIMSA-N 0 0 453.542 4.884 20 30 JJEDRN N#Cc1cccc(C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)c1Br ZINC001464447020 1068749027 /nfs/dbraw/zinc/74/90/27/1068749027.db2.gz NNVGXILPNOSIEM-UHFFFAOYSA-N 0 0 459.141 4.763 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](c4ccc(F)cc4)CC3)C2)C1 ZINC001546147623 1068772814 /nfs/dbraw/zinc/77/28/14/1068772814.db2.gz SHMQOUOROYSHRW-DMDRJEMPSA-N 0 0 455.574 4.709 20 30 JJEDRN C#CCN(CC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)OC(C)(C)C ZINC001464532549 1068774514 /nfs/dbraw/zinc/77/45/14/1068774514.db2.gz SJUOVBYVLNIASU-UHFFFAOYSA-N 0 0 457.546 4.522 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC001464537508 1068775625 /nfs/dbraw/zinc/77/56/25/1068775625.db2.gz VFDODGDFYPOFHR-UHFFFAOYSA-N 0 0 458.562 4.886 20 30 JJEDRN Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@]1(C)Cc1cccc(Br)c1 ZINC001464582042 1068790875 /nfs/dbraw/zinc/79/08/75/1068790875.db2.gz QNNMXEBWHYORJJ-FQEVSTJZSA-N 0 0 451.361 4.554 20 30 JJEDRN Cc1c([C@H](C)NC(=O)c2cccc(CNc3ncccc3C#N)c2)cnn1-c1ccc(F)cc1 ZINC001464604335 1068797019 /nfs/dbraw/zinc/79/70/19/1068797019.db2.gz QYYNAUSVORHFRK-KRWDZBQOSA-N 0 0 454.509 4.690 20 30 JJEDRN CC(C)(C)c1ccc(-c2nc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)n[nH]2)cc1 ZINC001464632228 1068804653 /nfs/dbraw/zinc/80/46/53/1068804653.db2.gz JRTXJBYWHKSOHD-UHFFFAOYSA-N 0 0 451.534 4.900 20 30 JJEDRN C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1)C1CCCCC1 ZINC001464653752 1068812629 /nfs/dbraw/zinc/81/26/29/1068812629.db2.gz WRDYGVUDDXQHSS-UHFFFAOYSA-N 0 0 454.592 4.603 20 30 JJEDRN CN(C)c1cc(C#N)cc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1 ZINC001464713163 1068835221 /nfs/dbraw/zinc/83/52/21/1068835221.db2.gz GKZGSIAEJKERJZ-SANMLTNESA-N 0 0 458.993 4.825 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)Nc5ccccc5[C@@H]4C3)cnc2Cl)cc1 ZINC001164403924 718859814 /nfs/dbraw/zinc/85/98/14/718859814.db2.gz NVKMYOHILMWZRJ-PMACEKPBSA-N 0 0 450.876 4.991 20 30 JJEDRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC2)c2ccccc21 ZINC001164630633 719139562 /nfs/dbraw/zinc/13/95/62/719139562.db2.gz KRFGJRQCHMATMA-OAQYLSRUSA-N 0 0 488.966 4.629 20 30 JJEDRN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3cnc(Cl)cc3C#N)CC2)c2ccccc21 ZINC001164630628 719140048 /nfs/dbraw/zinc/14/00/48/719140048.db2.gz KIGAMMVIRCNEGZ-NRFANRHFSA-N 0 0 488.966 4.629 20 30 JJEDRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3cnc(Cl)cc3C#N)CC2)c2ccccc21 ZINC001164630629 719140255 /nfs/dbraw/zinc/14/02/55/719140255.db2.gz KIGAMMVIRCNEGZ-OAQYLSRUSA-N 0 0 488.966 4.629 20 30 JJEDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164658049 719350927 /nfs/dbraw/zinc/35/09/27/719350927.db2.gz CFJDWKFEUHVPAY-UHFFFAOYSA-N 0 0 482.966 4.846 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)C2)n1 ZINC001164665791 719359209 /nfs/dbraw/zinc/35/92/09/719359209.db2.gz YXWAPRPTFJWHQG-QHCPKHFHSA-N 0 0 473.955 4.547 20 30 JJEDRN CSc1nc(-c2ccccc2)nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1C#N ZINC001164671596 719515452 /nfs/dbraw/zinc/51/54/52/719515452.db2.gz GJUDVDBFPDEXJV-UHFFFAOYSA-N 0 0 489.620 4.748 20 30 JJEDRN COc1cc(C(F)(F)N2CCC3(CCCN3Cc3csc(C)n3)CC2)c(C#N)c(Cl)n1 ZINC001164694471 719810136 /nfs/dbraw/zinc/81/01/36/719810136.db2.gz YOPSZWJRLOGTOR-UHFFFAOYSA-N 0 0 467.973 4.560 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)[C@H]2CC ZINC001164701313 719823388 /nfs/dbraw/zinc/82/33/88/719823388.db2.gz OPELKADWFVSCEX-PGRDOPGGSA-N 0 0 461.944 4.663 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)[C@H]2CC ZINC001164698017 719823803 /nfs/dbraw/zinc/82/38/03/719823803.db2.gz CRENWJXEDJEGPI-PGRDOPGGSA-N 0 0 464.944 4.763 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)[C@@H]2CC ZINC001164700660 719823813 /nfs/dbraw/zinc/82/38/13/719823813.db2.gz LBPZLPFITPKDRT-WIYYLYMNSA-N 0 0 450.917 4.861 20 30 JJEDRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3ccnc(Cl)c3C#N)CC1)nc2-c1cccnc1 ZINC001164703698 719881168 /nfs/dbraw/zinc/88/11/68/719881168.db2.gz TZBHEYYUVCUFQV-UHFFFAOYSA-N 0 0 479.922 4.879 20 30 JJEDRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001164722311 720318584 /nfs/dbraw/zinc/31/85/84/720318584.db2.gz KFRPGWPHWLXVJI-JOCHJYFZSA-N 0 0 498.965 4.836 20 30 JJEDRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001164722316 720318776 /nfs/dbraw/zinc/31/87/76/720318776.db2.gz KFRPGWPHWLXVJI-QFIPXVFZSA-N 0 0 498.965 4.836 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734986 720536870 /nfs/dbraw/zinc/53/68/70/720536870.db2.gz MATISAFLRUZIQM-XOBRGWDASA-N 0 0 469.319 4.654 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC001164842952 720744896 /nfs/dbraw/zinc/74/48/96/720744896.db2.gz GMFBJWRXHBZVEY-UHFFFAOYSA-N 0 0 482.918 4.939 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164758633 721026069 /nfs/dbraw/zinc/02/60/69/721026069.db2.gz ITYLCMCUVCMAAG-FOIQADDNSA-N 0 0 469.319 4.545 20 30 JJEDRN CCn1nnc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)[C@H]2COCc1ccccc1 ZINC001164758804 721047401 /nfs/dbraw/zinc/04/74/01/721047401.db2.gz BOHHJOFHBXSPTO-SFHVURJKSA-N 0 0 493.345 4.737 20 30 JJEDRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)n1 ZINC001164771270 721057457 /nfs/dbraw/zinc/05/74/57/721057457.db2.gz MGAPZYFOUHNYRA-GOTSBHOMSA-N 0 0 493.945 4.902 20 30 JJEDRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)n1 ZINC001164774945 721057596 /nfs/dbraw/zinc/05/75/96/721057596.db2.gz ZLMLYHOQXSUKIM-XZOQPEGZSA-N 0 0 493.945 4.902 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@@H]32)N=C1C ZINC001164873907 721236190 /nfs/dbraw/zinc/23/61/90/721236190.db2.gz QVHFMTYJTJWSNR-UTSGNWPNSA-N 0 0 483.950 4.684 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@@H]32)N=C1C ZINC001164873902 721236314 /nfs/dbraw/zinc/23/63/14/721236314.db2.gz QVHFMTYJTJWSNR-NSXLHWASSA-N 0 0 483.950 4.684 20 30 JJEDRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164880119 721243594 /nfs/dbraw/zinc/24/35/94/721243594.db2.gz ZQDRTNHQEKVSLF-OAHLLOKOSA-N 0 0 484.938 4.918 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@@H]43)c(Cl)nn2)c1 ZINC001164871893 721252652 /nfs/dbraw/zinc/25/26/52/721252652.db2.gz BQMSFTDGECKTJI-OIBXWCBGSA-N 0 0 497.933 4.814 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)c(Cl)nn2)c1 ZINC001164879877 721316192 /nfs/dbraw/zinc/31/61/92/721316192.db2.gz UAABPVWKUAKWHH-ZPMCFJSWSA-N 0 0 497.933 4.671 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)c(Cl)nn2)c1 ZINC001164877079 721319620 /nfs/dbraw/zinc/31/96/20/721319620.db2.gz JAWBXESPIYLLJS-OAQYLSRUSA-N 0 0 493.945 4.714 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001164778370 721325039 /nfs/dbraw/zinc/32/50/39/721325039.db2.gz PRXPKSIEHGWATF-LBPRGKRZSA-N 0 0 473.282 4.546 20 30 JJEDRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)CC2 ZINC001164876874 721327551 /nfs/dbraw/zinc/32/75/51/721327551.db2.gz REOKUTCPQZXXEI-UHFFFAOYSA-N 0 0 454.308 4.593 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)cc2C#N)CCO3)cs1 ZINC001164787548 721444407 /nfs/dbraw/zinc/44/44/07/721444407.db2.gz XPXORVVNJFFYLF-UZLBHIALSA-N 0 0 468.957 4.509 20 30 JJEDRN COc1cc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3csc(C)n3)C2)c(C#N)c(Cl)n1 ZINC001164784501 721444570 /nfs/dbraw/zinc/44/45/70/721444570.db2.gz QHHYWUWVDWRZLN-QVKFZJNVSA-N 0 0 498.983 4.517 20 30 JJEDRN N#Cc1c(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@@H]3C2)nc1C(F)(F)F ZINC001164899469 721499714 /nfs/dbraw/zinc/49/97/14/721499714.db2.gz KNJUFSQWMOZMDX-IACUBPJLSA-N 0 0 450.839 4.597 20 30 JJEDRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)CC2 ZINC001164904020 721571676 /nfs/dbraw/zinc/57/16/76/721571676.db2.gz TVWPHRJQVLCROW-HNNXBMFYSA-N 0 0 453.320 4.653 20 30 JJEDRN N#Cc1ccc(C(F)(F)N2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)nc1Cl ZINC001164802694 721605591 /nfs/dbraw/zinc/60/55/91/721605591.db2.gz SUVOOEKCUKVGFH-FQEVSTJZSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)cc(Cl)n1 ZINC001164797300 721605592 /nfs/dbraw/zinc/60/55/92/721605592.db2.gz BFJPUKDSLIIJMC-FQEVSTJZSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001164803292 721605801 /nfs/dbraw/zinc/60/58/01/721605801.db2.gz VCSHTUGCRVVYJX-FQEVSTJZSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1ccc(C(F)(F)N2C[C@@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)nc1Cl ZINC001164911643 721739126 /nfs/dbraw/zinc/73/91/26/721739126.db2.gz JVFDJTWFDMQVJG-RDPSFJRHSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164912232 721739966 /nfs/dbraw/zinc/73/99/66/721739966.db2.gz NHICWJMNUDZSNT-XUZZJYLKSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164936537 721898311 /nfs/dbraw/zinc/89/83/11/721898311.db2.gz ZEPTXMIFDUXBRY-QFIPXVFZSA-N 0 0 488.325 4.940 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C[C@H]21 ZINC001164943248 721964533 /nfs/dbraw/zinc/96/45/33/721964533.db2.gz DZNQTBASGYTADI-DHIUTWEWSA-N 0 0 499.949 4.513 20 30 JJEDRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]12 ZINC001164949333 721964918 /nfs/dbraw/zinc/96/49/18/721964918.db2.gz WXIUVYNQIUYSAS-RXVVDRJESA-N 0 0 465.331 4.574 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)cnc2Cl)cc1 ZINC001164956569 722049499 /nfs/dbraw/zinc/04/94/99/722049499.db2.gz ASZKPBQBVLVVHI-YLJYHZDGSA-N 0 0 468.891 4.762 20 30 JJEDRN COc1cc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)c(C#N)c(Cl)n1 ZINC001164956673 722049845 /nfs/dbraw/zinc/04/98/45/722049845.db2.gz CHWAQJKBQWBZGY-UHFFFAOYSA-N 0 0 495.921 4.649 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cscn3)cnc2Cl)cc1 ZINC001164966382 722066088 /nfs/dbraw/zinc/06/60/88/722066088.db2.gz RTVVLMJCHGUFTK-UXHICEINSA-N 0 0 485.947 4.768 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCc4onc(COc5ccccn5)c4C3)c(Cl)nn2)c1 ZINC001164969705 722083172 /nfs/dbraw/zinc/08/31/72/722083172.db2.gz RALISDVTXGHBNK-UHFFFAOYSA-N 0 0 494.889 4.738 20 30 JJEDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C2)C1=O ZINC001164978491 722163241 /nfs/dbraw/zinc/16/32/41/722163241.db2.gz HZULXUARQDGXOC-DEOSSOPVSA-N 0 0 464.903 4.943 20 30 JJEDRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C2)C1=O ZINC001164978499 722163247 /nfs/dbraw/zinc/16/32/47/722163247.db2.gz HZULXUARQDGXOC-XMMPIXPASA-N 0 0 464.903 4.943 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)CCO2 ZINC001164978684 722169911 /nfs/dbraw/zinc/16/99/11/722169911.db2.gz RQSNOSBRAWXSHU-MBSDFSHPSA-N 0 0 479.955 4.929 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CCO2 ZINC001164974570 722170017 /nfs/dbraw/zinc/17/00/17/722170017.db2.gz GBWPDIVRIWQPMD-ZHRRBRCNSA-N 0 0 494.926 4.828 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)CCO2 ZINC001164981012 722170079 /nfs/dbraw/zinc/17/00/79/722170079.db2.gz ZVSPGUIALFLAAW-VGSWGCGISA-N 0 0 494.926 4.828 20 30 JJEDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5cc(F)c(F)cc5c(Cl)c4C#N)CC[C@H]32)cs1 ZINC001164993301 722186797 /nfs/dbraw/zinc/18/67/97/722186797.db2.gz YDYKLDZITCQROP-RTWAWAEBSA-N 0 0 489.979 4.673 20 30 JJEDRN COc1cc(C(F)(F)N2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)c(C#N)c(Cl)n1 ZINC001164998364 722220826 /nfs/dbraw/zinc/22/08/26/722220826.db2.gz IXNCBTFMLSMLCO-UHFFFAOYSA-N 0 0 498.961 4.622 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001165000727 722221313 /nfs/dbraw/zinc/22/13/13/722221313.db2.gz YGGZTXBHRZJPEV-OAQYLSRUSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001164999433 722221399 /nfs/dbraw/zinc/22/13/99/722221399.db2.gz QZKXJJSQQQVLPE-OAQYLSRUSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)C2)c1 ZINC001165003156 722258437 /nfs/dbraw/zinc/25/84/37/722258437.db2.gz CKLNDJOUHWYZMZ-QFIPXVFZSA-N 0 0 489.979 4.885 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)C2)c1 ZINC001165003155 722258503 /nfs/dbraw/zinc/25/85/03/722258503.db2.gz CKLNDJOUHWYZMZ-JOCHJYFZSA-N 0 0 489.979 4.885 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)C2)c1 ZINC001165005057 722259090 /nfs/dbraw/zinc/25/90/90/722259090.db2.gz UQPWBNDKKSZJBI-HSZRJFAPSA-N 0 0 472.967 4.850 20 30 JJEDRN CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001359715647 1064264223 /nfs/dbraw/zinc/26/42/23/1064264223.db2.gz HOTHAXMEEPUSFB-UHFFFAOYSA-N 0 0 468.621 4.723 20 30 JJEDRN CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001359719540 1064266689 /nfs/dbraw/zinc/26/66/89/1064266689.db2.gz PAQHVNJQSZLUHZ-UHFFFAOYSA-N 0 0 477.682 4.592 20 30 JJEDRN CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CCOCC2)CC1 ZINC001359738782 1064303228 /nfs/dbraw/zinc/30/32/28/1064303228.db2.gz CVRPKADKEIOAHF-UHFFFAOYSA-N 0 0 451.615 4.522 20 30 JJEDRN CC(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCNC(=O)OC(C)(C)C)C1 ZINC001359740348 1064309563 /nfs/dbraw/zinc/30/95/63/1064309563.db2.gz SKEZACDMIAGDKL-OAQYLSRUSA-N 0 0 452.603 4.604 20 30 JJEDRN COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC001434887023 1064318560 /nfs/dbraw/zinc/31/85/60/1064318560.db2.gz RUKPCSNWJGQGSF-UHFFFAOYSA-N 0 0 452.470 4.884 20 30 JJEDRN Cc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1NC(=O)c1ccncc1 ZINC001434911280 1064337712 /nfs/dbraw/zinc/33/77/12/1064337712.db2.gz DCWXSAMHMNIBFV-UHFFFAOYSA-N 0 0 450.502 4.672 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccsc2)CCS1 ZINC001359755207 1064347243 /nfs/dbraw/zinc/34/72/43/1064347243.db2.gz VGSVNIMZZBKNIX-NRFANRHFSA-N 0 0 453.637 4.611 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 ZINC001359760704 1064369486 /nfs/dbraw/zinc/36/94/86/1064369486.db2.gz YDGBREOURCGQQM-PXNSSMCTSA-N 0 0 489.462 4.627 20 30 JJEDRN CC(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359760751 1064370251 /nfs/dbraw/zinc/37/02/51/1064370251.db2.gz YSOPVIGHSFWLSE-DNGCBJQESA-N 0 0 473.568 4.517 20 30 JJEDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CCC#N)CC1CC1 ZINC001359762020 1064374510 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AYJGHUIGPZXFSK-UHFFFAOYSA-N 0 0 452.417 4.642 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001435014592 1064431805 /nfs/dbraw/zinc/43/18/05/1064431805.db2.gz GFHRKEVJYVCIIR-UHFFFAOYSA-N 0 0 459.456 4.892 20 30 JJEDRN CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CO1 ZINC001435023088 1064441333 /nfs/dbraw/zinc/44/13/33/1064441333.db2.gz CVVNOHWASDSBMW-OFNKIYASSA-N 0 0 450.535 4.603 20 30 JJEDRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)CC2=O)cc1 ZINC001435023656 1064441374 /nfs/dbraw/zinc/44/13/74/1064441374.db2.gz GHXATOWNRYQCKZ-NRFANRHFSA-N 0 0 455.514 4.528 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@H]1CCc2c1cccc2Br ZINC001435029507 1064447423 /nfs/dbraw/zinc/44/74/23/1064447423.db2.gz QTTJTRBVCWVTGO-ROUUACIJSA-N 0 0 450.377 4.530 20 30 JJEDRN CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1cccc(Br)n1 ZINC001359795688 1064454443 /nfs/dbraw/zinc/45/44/43/1064454443.db2.gz MKYHXEQKELUZAD-UHFFFAOYSA-N 0 0 477.410 4.848 20 30 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VZBHZOMEXSCPFL-UUOWRZLLSA-N 0 0 451.998 4.837 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001436001156 1065102171 /nfs/dbraw/zinc/10/21/71/1065102171.db2.gz KMLXDUFXEPMGCK-UHFFFAOYSA-N 0 0 458.049 4.522 20 30 JJEDRN CC(C)NC(=O)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360263359 1065107982 /nfs/dbraw/zinc/10/79/82/1065107982.db2.gz XISNMGZWRJVJEV-RUZDIDTESA-N 0 0 480.613 4.857 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1OC ZINC001436031998 1065128628 /nfs/dbraw/zinc/12/86/28/1065128628.db2.gz CHZZOZNQUNTEDN-OXXZUKKGSA-N 0 0 456.583 4.523 20 30 JJEDRN COc1ccc(Br)cc1C1(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC001436044691 1065139374 /nfs/dbraw/zinc/13/93/74/1065139374.db2.gz UQGFDJIRBDHYTG-UHFFFAOYSA-N 0 0 455.230 4.898 20 30 JJEDRN C#CCN(C(=O)Cc1cn(CC)c2ccccc12)[C@H]1CCOc2ccc(Br)cc21 ZINC001360310156 1065147225 /nfs/dbraw/zinc/14/72/25/1065147225.db2.gz ASYOFMVHQFHUGO-QFIPXVFZSA-N 0 0 451.364 4.952 20 30 JJEDRN C#CCN(C(=O)c1cc(OC)cc(Cl)c1F)[C@@H]1CCOc2ccc(Br)cc21 ZINC001360310232 1065147239 /nfs/dbraw/zinc/14/72/39/1065147239.db2.gz CTXKBTAMZCSIIW-QGZVFWFLSA-N 0 0 452.707 4.849 20 30 JJEDRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001436060332 1065151963 /nfs/dbraw/zinc/15/19/63/1065151963.db2.gz LYMVRXGZBPQJHV-LJQANCHMSA-N 0 0 455.514 4.927 20 30 JJEDRN Cc1cc(Br)cc2cc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)oc21 ZINC001436067886 1065157445 /nfs/dbraw/zinc/15/74/45/1065157445.db2.gz JKDVEHXCKKOZAZ-UHFFFAOYSA-N 0 0 458.743 4.991 20 30 JJEDRN CC(=O)c1ccc(-c2ccc(C(=O)Oc3ccc(C#N)cc3I)o2)cc1 ZINC001436072327 1065160945 /nfs/dbraw/zinc/16/09/45/1065160945.db2.gz AEDZWJPSIZFZRL-UHFFFAOYSA-N 0 0 457.223 4.845 20 30 JJEDRN C=C[C@H](CC(=O)NCc1cc(Cl)c(I)cc1OC)c1ccccc1 ZINC001436073958 1065162366 /nfs/dbraw/zinc/16/23/66/1065162366.db2.gz QQCGGGLFQGYVBB-CYBMUJFWSA-N 0 0 455.723 4.929 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)OCc2cn(-c3ccc(F)c(C)c3)nn2)s1 ZINC001436083650 1065168926 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CC[C@@H]1[C@@H](C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)CCN1C(=O)OC(C)(C)C ZINC001436998480 1065490890 /nfs/dbraw/zinc/49/08/90/1065490890.db2.gz POFPPVGHZGJHSG-ZYSHUDEJSA-N 0 0 453.505 4.982 20 30 JJEDRN N#Cc1nc(NC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)ccc1Br ZINC001437004759 1065492730 /nfs/dbraw/zinc/49/27/30/1065492730.db2.gz AWGLDKFMAOLDEE-SFHVURJKSA-N 0 0 451.727 4.674 20 30 JJEDRN C[C@@H]1[C@H](C)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001437040625 1065500889 /nfs/dbraw/zinc/50/08/89/1065500889.db2.gz JIPHFLALOQJOIG-KSZLIROESA-N 0 0 450.539 4.604 20 30 JJEDRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001437040685 1065500991 /nfs/dbraw/zinc/50/09/91/1065500991.db2.gz JIPHFLALOQJOIG-KZNAEPCWSA-N 0 0 450.539 4.604 20 30 JJEDRN CC(=O)Nc1cccc(C(=O)Oc2c(Br)cc(C#N)cc2Br)c1C ZINC001437083557 1065507967 /nfs/dbraw/zinc/50/79/67/1065507967.db2.gz SHZKAMFXVKJQDQ-UHFFFAOYSA-N 0 0 452.102 4.569 20 30 JJEDRN CC[C@H](Oc1ccccc1F)C(=O)Oc1c(Br)cc(C#N)cc1Br ZINC001437084058 1065508486 /nfs/dbraw/zinc/50/84/86/1065508486.db2.gz VVXPCKAGQBTHBB-AWEZNQCLSA-N 0 0 457.093 4.985 20 30 JJEDRN C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC#N)CC1)N(C)C(=O)OC(C)(C)C ZINC001360540666 1065526292 /nfs/dbraw/zinc/52/62/92/1065526292.db2.gz DJUTVFGAIOKAFR-LJQANCHMSA-N 0 0 489.624 4.879 20 30 JJEDRN C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001360542374 1065531391 /nfs/dbraw/zinc/53/13/91/1065531391.db2.gz UWZNBGCTCBOYGD-LJQANCHMSA-N 0 0 496.656 4.856 20 30 JJEDRN Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001437337744 1065538287 /nfs/dbraw/zinc/53/82/87/1065538287.db2.gz SYLPVFIYMMBNNG-HXUWFJFHSA-N 0 0 450.857 4.978 20 30 JJEDRN Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 ZINC001437338998 1065538917 /nfs/dbraw/zinc/53/89/17/1065538917.db2.gz WZJQMAKHURPPPP-UHFFFAOYSA-N 0 0 455.440 4.787 20 30 JJEDRN C=CCn1c(SCC(=O)N(CC)[C@H]2CCCOC2)nnc1-c1ccc(Cl)cc1Cl 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IBIZTXHADLKBIB-UHFFFAOYSA-N 0 0 459.271 4.674 20 30 JJEDRN C[C@@H](Cn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cccc(C#N)c1)N(C)C(=O)OC(C)(C)C ZINC001360586111 1065585899 /nfs/dbraw/zinc/58/58/99/1065585899.db2.gz ASPBTQBVHAVJBU-SFHVURJKSA-N 0 0 490.612 4.812 20 30 JJEDRN CC(C)Oc1ccc(NC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N ZINC001545908882 1065593316 /nfs/dbraw/zinc/59/33/16/1065593316.db2.gz PXXCZEFIAKYAEK-UHFFFAOYSA-N 0 0 454.527 4.700 20 30 JJEDRN N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)c2)c1 ZINC001437797429 1065610088 /nfs/dbraw/zinc/61/00/88/1065610088.db2.gz ISBAQETZUJKTAE-FYYLOGMGSA-N 0 0 452.432 4.802 20 30 JJEDRN CC[C@@H]1[C@@H](NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CCN1C(=O)OC(C)(C)C ZINC001437815105 1065614228 /nfs/dbraw/zinc/61/42/28/1065614228.db2.gz NEXSTDWVOPBLAR-FCHUYYIVSA-N 0 0 465.598 4.598 20 30 JJEDRN COc1ccc(F)c(CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 ZINC001437906167 1065629366 /nfs/dbraw/zinc/62/93/66/1065629366.db2.gz FCAVEQHIAQTHEU-UHFFFAOYSA-N 0 0 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C[C@H](CCc1ccc(I)cc1)CC(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC001438136491 1065677144 /nfs/dbraw/zinc/67/71/44/1065677144.db2.gz PMSAKIRREHCWNJ-CYBMUJFWSA-N 0 0 458.303 4.637 20 30 JJEDRN C[C@H]1COCCN1c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1Cl ZINC001438158418 1065683316 /nfs/dbraw/zinc/68/33/16/1065683316.db2.gz IXPGMBMYAKEHIZ-INIZCTEOSA-N 0 0 451.910 4.861 20 30 JJEDRN C[C@@H](N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC(F)(F)C2)CC1)C(F)(F)F ZINC001360635191 1065690012 /nfs/dbraw/zinc/69/00/12/1065690012.db2.gz SBFAOZBODGPVMR-HUUCEWRRSA-N 0 0 493.471 4.655 20 30 JJEDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C1 ZINC001360636847 1065695895 /nfs/dbraw/zinc/69/58/95/1065695895.db2.gz MVKAICNPGLWURZ-WWPVKYPJSA-N 0 0 494.640 4.515 20 30 JJEDRN C=CC[C@@]1(C(=O)N(C)c2nccc(-c3sc(C)nc3C)n2)CCCN1C(=O)OC(C)(C)C ZINC001438259658 1065703662 /nfs/dbraw/zinc/70/36/62/1065703662.db2.gz WNGSZFHKDYJMKK-QHCPKHFHSA-N 0 0 457.600 4.526 20 30 JJEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)C1 ZINC001360638849 1065705316 /nfs/dbraw/zinc/70/53/16/1065705316.db2.gz JZMWLGKSGAYVAZ-APWZRJJASA-N 0 0 474.556 4.602 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NC(C)(C)CF)ccc1Cl ZINC001438360003 1065715989 /nfs/dbraw/zinc/71/59/89/1065715989.db2.gz UHAGVPQJJCPTTD-UHFFFAOYSA-N 0 0 459.370 4.853 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn2c1nc(C)cc2C(F)F ZINC001360644001 1065718416 /nfs/dbraw/zinc/71/84/16/1065718416.db2.gz JSRYMJOKNQISPZ-UHFFFAOYSA-N 0 0 453.262 4.705 20 30 JJEDRN CN(CCc1cccc(C#N)c1)C(=O)CCc1cc(Br)c(Br)s1 ZINC001438630267 1065738207 /nfs/dbraw/zinc/73/82/07/1065738207.db2.gz DDBAJAWTMNIXBD-UHFFFAOYSA-N 0 0 456.203 4.778 20 30 JJEDRN C[C@@](O)(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCOCC2)CC1)C(F)(F)F ZINC001360721692 1065747179 /nfs/dbraw/zinc/74/71/79/1065747179.db2.gz BMBALAOYXCKZGE-XMMPIXPASA-N 0 0 491.558 4.553 20 30 JJEDRN C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1cccs1 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HUHRMIGNTJQTAY-KRWDZBQOSA-N 0 0 479.972 4.571 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)C(C)C ZINC001360989391 1066161202 /nfs/dbraw/zinc/16/12/02/1066161202.db2.gz DJHSGYUALCJCAG-IBGZPJMESA-N 0 0 487.048 4.591 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C(C)C ZINC001360989478 1066161354 /nfs/dbraw/zinc/16/13/54/1066161354.db2.gz FTIJZXDTODIXLG-UQBPGWFLSA-N 0 0 487.048 4.591 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C)COC1 ZINC001360990835 1066169252 /nfs/dbraw/zinc/16/92/52/1066169252.db2.gz ZWECIOQIZNMVFD-FDDCHVKYSA-N 0 0 458.006 4.855 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccs1 ZINC001360992540 1066172045 /nfs/dbraw/zinc/17/20/45/1066172045.db2.gz PJUDOKVSAFGJJB-HKUYNNGSSA-N 0 0 472.014 4.721 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CC#N)CC2)c(C)o1 ZINC001360997266 1066175641 /nfs/dbraw/zinc/17/56/41/1066175641.db2.gz FAXPMAGEKBKHCT-DEOSSOPVSA-N 0 0 471.964 4.985 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)c(C)o1 ZINC001360998241 1066177529 /nfs/dbraw/zinc/17/75/29/1066177529.db2.gz XSJURFBZLLQFDU-AFWDCEBSSA-N 0 0 481.572 4.805 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)COCCc3ccc(Br)cc3)c2)nc1 ZINC001361005331 1066184149 /nfs/dbraw/zinc/18/41/49/1066184149.db2.gz JXUMLELJUCTITL-UHFFFAOYSA-N 0 0 452.308 4.706 20 30 JJEDRN N#Cc1cc(NC(=O)c2cc(Cn3cccn3)on2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001361006707 1066185341 /nfs/dbraw/zinc/18/53/41/1066185341.db2.gz VYXUXERUEBVRCL-UHFFFAOYSA-N 0 0 453.380 4.854 20 30 JJEDRN Cc1cc(C)cc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)c1 ZINC001361015440 1066203382 /nfs/dbraw/zinc/20/33/82/1066203382.db2.gz YROFKLUJDDPBLB-QGZVFWFLSA-N 0 0 455.404 4.502 20 30 JJEDRN Cc1cc(C)cc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H](C)C#N)c1 ZINC001361017194 1066205584 /nfs/dbraw/zinc/20/55/84/1066205584.db2.gz LTFCJQWCGRZCTQ-GGAORHGYSA-N 0 0 480.657 4.848 20 30 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CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)O1 ZINC001546056952 1066230575 /nfs/dbraw/zinc/23/05/75/1066230575.db2.gz LVNVBKYTGKZYBP-VAXXYWNWSA-N 0 0 459.541 4.558 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361027857 1066231127 /nfs/dbraw/zinc/23/11/27/1066231127.db2.gz FTNDJLLMDRZCQZ-KOUNCHBCSA-N 0 0 451.615 4.808 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCO[C@H]2CCCC[C@@H]2C)c1 ZINC001361028280 1066232476 /nfs/dbraw/zinc/23/24/76/1066232476.db2.gz XRAIJCOOUQQUEW-XTJBDQBJSA-N 0 0 455.578 4.511 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@](C)(O)c2cccs2)c1 ZINC001361029019 1066236106 /nfs/dbraw/zinc/23/61/06/1066236106.db2.gz XDJNUVNEHNNJBZ-VWLOTQADSA-N 0 0 465.623 4.573 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC001442970799 1066248205 /nfs/dbraw/zinc/24/82/05/1066248205.db2.gz AVIOAUYSRDCPBE-FQEVSTJZSA-N 0 0 459.359 4.773 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)nnc1-c1ccco1 ZINC001454212384 1066254913 /nfs/dbraw/zinc/25/49/13/1066254913.db2.gz BKYYHYKCRUBBKC-ZDUSSCGKSA-N 0 0 456.959 4.613 20 30 JJEDRN N#Cc1ccccc1NC1CCN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC001454241993 1066257047 /nfs/dbraw/zinc/25/70/47/1066257047.db2.gz NPMLBLORQOIIHO-UHFFFAOYSA-N 0 0 454.368 4.777 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CC(F)(F)CO2)c(C)n1-c1ccccc1 ZINC001361044813 1066268680 /nfs/dbraw/zinc/26/86/80/1066268680.db2.gz FTVSKHDTECKCET-JXFKEZNVSA-N 0 0 454.525 4.515 20 30 JJEDRN CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCCO1 ZINC001443101358 1066268623 /nfs/dbraw/zinc/26/86/23/1066268623.db2.gz VTLQOZZCEUZGIR-DEOSSOPVSA-N 0 0 456.926 4.620 20 30 JJEDRN Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC001443145426 1066273070 /nfs/dbraw/zinc/27/30/70/1066273070.db2.gz WGEOGQDHNHKIMF-CLJLJLNGSA-N 0 0 453.542 4.616 20 30 JJEDRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545954764 1066273777 /nfs/dbraw/zinc/27/37/77/1066273777.db2.gz KEKYJPJVILBMAY-HMXCVIKNSA-N 0 0 454.619 4.719 20 30 JJEDRN Cc1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCSCCCO)c(C)n1-c1ccccc1 ZINC001361049147 1066280179 /nfs/dbraw/zinc/28/01/79/1066280179.db2.gz VBFWKGGYYWTBIS-UHFFFAOYSA-N 0 0 478.666 4.598 20 30 JJEDRN Cc1cc(-c2nnc(N(CCC#N)CC3CC3)n2CCCOC(F)(F)F)c2ccccc2n1 ZINC001361049164 1066280779 /nfs/dbraw/zinc/28/07/79/1066280779.db2.gz VGVVWSDYTAVBFB-UHFFFAOYSA-N 0 0 458.488 4.858 20 30 JJEDRN COCCN(CCC#N)C(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 ZINC001443212810 1066280846 /nfs/dbraw/zinc/28/08/46/1066280846.db2.gz HEGYYZRKUUWJEQ-UHFFFAOYSA-N 0 0 451.379 4.764 20 30 JJEDRN Cc1c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001443241939 1066283636 /nfs/dbraw/zinc/28/36/36/1066283636.db2.gz PLMWPPGHTFPBKI-UHFFFAOYSA-N 0 0 456.424 4.531 20 30 JJEDRN Cc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCC(F)(F)C(F)F)c2ccccc2n1 ZINC001361050441 1066285682 /nfs/dbraw/zinc/28/56/82/1066285682.db2.gz ZIWKBTWGQQSSOO-QHCPKHFHSA-N 0 0 490.505 4.849 20 30 JJEDRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC#N)Oc1cccc(F)c1 ZINC001545956963 1066294916 /nfs/dbraw/zinc/29/49/16/1066294916.db2.gz MFVFVNUGXQXTFY-RHSMWYFYSA-N 0 0 475.366 4.771 20 30 JJEDRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N)Oc1cccc(F)c1 ZINC001545957042 1066295812 /nfs/dbraw/zinc/29/58/12/1066295812.db2.gz NTHOAWLTHAXJAJ-QAPCUYQASA-N 0 0 489.393 4.639 20 30 JJEDRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N)Oc1cccc(F)c1 ZINC001545957043 1066295961 /nfs/dbraw/zinc/29/59/61/1066295961.db2.gz NTHOAWLTHAXJAJ-YJBOKZPZSA-N 0 0 489.393 4.639 20 30 JJEDRN N#CCCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001361060100 1066299413 /nfs/dbraw/zinc/29/94/13/1066299413.db2.gz SUNDSBSIJDSNSO-UHFFFAOYSA-N 0 0 454.246 4.620 20 30 JJEDRN C=C(C)[C@@H](CC(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21)OCC ZINC001454596860 1066307328 /nfs/dbraw/zinc/30/73/28/1066307328.db2.gz VCRSSGKMBDKJPV-QFBILLFUSA-N 0 0 452.389 4.982 20 30 JJEDRN N#Cc1c(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)[nH]nc1N1CCOCC1 ZINC001454631839 1066312417 /nfs/dbraw/zinc/31/24/17/1066312417.db2.gz IYEATZQQPBXCNE-UHFFFAOYSA-N 0 0 456.742 4.545 20 30 JJEDRN COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC001443450456 1066312969 /nfs/dbraw/zinc/31/29/69/1066312969.db2.gz CMTNGDOOUCMSHU-UHFFFAOYSA-N 0 0 457.486 4.885 20 30 JJEDRN Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cs1 ZINC001361073262 1066314255 /nfs/dbraw/zinc/31/42/55/1066314255.db2.gz FPFMZXJWVGUSME-IBGZPJMESA-N 0 0 478.622 4.586 20 30 JJEDRN CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC001545959385 1066321889 /nfs/dbraw/zinc/32/18/89/1066321889.db2.gz VEUFHCKDAWEAOR-GOSISDBHSA-N 0 0 490.555 4.590 20 30 JJEDRN C=CCc1ccc(OCC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c(OC)c1 ZINC001443529899 1066323451 /nfs/dbraw/zinc/32/34/51/1066323451.db2.gz 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Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1OCCC1(C)C ZINC001361088874 1066333055 /nfs/dbraw/zinc/33/30/55/1066333055.db2.gz MRRPWJVVDVVEBW-GBXCKJPGSA-N 0 0 475.996 4.509 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCS1 ZINC001361089454 1066335708 /nfs/dbraw/zinc/33/57/08/1066335708.db2.gz UTXWMNMHVRYMOE-XMSQKQJNSA-N 0 0 464.010 4.589 20 30 JJEDRN CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001443605215 1066336960 /nfs/dbraw/zinc/33/69/60/1066336960.db2.gz PKNKDWLERGDUJU-XZOQPEGZSA-N 0 0 450.583 4.915 20 30 JJEDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 ZINC001443636880 1066342152 /nfs/dbraw/zinc/34/21/52/1066342152.db2.gz RNILCFDOWDSEGQ-UHFFFAOYSA-N 0 0 458.562 4.516 20 30 JJEDRN CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001546066596 1066342543 /nfs/dbraw/zinc/34/25/43/1066342543.db2.gz RFAZZHVRYKKUKY-RUZDIDTESA-N 0 0 452.603 4.746 20 30 JJEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC001443674417 1066347595 /nfs/dbraw/zinc/34/75/95/1066347595.db2.gz ZWWUNBIWHJMVMU-LJQANCHMSA-N 0 0 458.425 4.802 20 30 JJEDRN C#Cc1cccc(N(Cc2cccs2)C(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 ZINC001361104566 1066353684 /nfs/dbraw/zinc/35/36/84/1066353684.db2.gz UEXZBDGXAPSXBV-OAQYLSRUSA-N 0 0 454.592 4.679 20 30 JJEDRN Cc1cc2cc(Cn3c(-c4cc(Br)c[nH]4)nnc3N(C)[C@H](C)CC#N)ccc2[nH]1 ZINC001361113871 1066364976 /nfs/dbraw/zinc/36/49/76/1066364976.db2.gz VVESWDOLLXAOQO-CQSZACIVSA-N 0 0 452.360 4.612 20 30 JJEDRN C#CCCOc1ccc(C(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)cc1 ZINC001455153767 1066365832 /nfs/dbraw/zinc/36/58/32/1066365832.db2.gz LRUDDMMDTVFIAJ-QHCPKHFHSA-N 0 0 452.595 4.731 20 30 JJEDRN O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2nc[nH]c2C1 ZINC001546069530 1066367248 /nfs/dbraw/zinc/36/72/48/1066367248.db2.gz ORDPJUPHWIJSLF-CLAHSXSESA-N 0 0 459.312 4.972 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCCN3C)nnc1-c1ccc(Cl)cc1 ZINC001443800603 1066369446 /nfs/dbraw/zinc/36/94/46/1066369446.db2.gz LECGVMJTZQRDBN-UHFFFAOYSA-N 0 0 453.999 4.898 20 30 JJEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001455218361 1066371809 /nfs/dbraw/zinc/37/18/09/1066371809.db2.gz JNIZZVWNJPGJRL-DENIHFKCSA-N 0 0 456.489 4.974 20 30 JJEDRN C=CCS(=O)(=O)CCNC(=O)c1ccc(N[C@@H](C)c2cc(Cl)ccc2Cl)c(C)c1 ZINC001546071717 1066384434 /nfs/dbraw/zinc/38/44/34/1066384434.db2.gz LVDQVZKWDAFKQO-HNNXBMFYSA-N 0 0 455.407 4.806 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C)CCOCC2)c1 ZINC001361127282 1066387348 /nfs/dbraw/zinc/38/73/48/1066387348.db2.gz GXCVGHONWZAPNP-VWLOTQADSA-N 0 0 455.578 4.548 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545963358 1066387581 /nfs/dbraw/zinc/38/75/81/1066387581.db2.gz VFECJHXUBDNMAY-NHCUHLMSSA-N 0 0 484.670 4.698 20 30 JJEDRN N#CCN1CCC(CNC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1 ZINC001444002177 1066393277 /nfs/dbraw/zinc/39/32/77/1066393277.db2.gz PIIWJWYBKNHCCI-UHFFFAOYSA-N 0 0 451.489 4.961 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CC(C)C)CC2)c1 ZINC001361130298 1066394880 /nfs/dbraw/zinc/39/48/80/1066394880.db2.gz LRMGXPYHXDZMRP-NRFANRHFSA-N 0 0 451.615 4.844 20 30 JJEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC001444068873 1066399666 /nfs/dbraw/zinc/39/96/66/1066399666.db2.gz NMMAHLFALRKBMP-UHFFFAOYSA-N 0 0 456.951 4.636 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(C(=O)CNc2ccc(C#N)cc2)C1)C1CCCC1 ZINC001455508803 1066400280 /nfs/dbraw/zinc/40/02/80/1066400280.db2.gz HEQUTUWEDHHISP-NFBKMPQASA-N 0 0 454.615 4.682 20 30 JJEDRN CON=Cc1ccc(C(=O)N2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)cc1 ZINC001455508541 1066400313 /nfs/dbraw/zinc/40/03/13/1066400313.db2.gz FOIRCFJMGUAXGA-REWPJTCUSA-N 0 0 457.615 4.993 20 30 JJEDRN N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)cc2)nc1 ZINC001361131887 1066400815 /nfs/dbraw/zinc/40/08/15/1066400815.db2.gz BJJXRGRMCAGQAD-UHFFFAOYSA-N 0 0 450.454 4.889 20 30 JJEDRN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC001455529515 1066404006 /nfs/dbraw/zinc/40/40/06/1066404006.db2.gz HROIXSVLMSMFGP-JOCHJYFZSA-N 0 0 457.555 4.948 20 30 JJEDRN C=CC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl ZINC001444106247 1066406933 /nfs/dbraw/zinc/40/69/33/1066406933.db2.gz ZFUKKCJSYYLPQC-LBPRGKRZSA-N 0 0 457.777 4.598 20 30 JJEDRN Cc1ccc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)cc1 ZINC001361135185 1066408537 /nfs/dbraw/zinc/40/85/37/1066408537.db2.gz KYHHVECPFXHXMW-IBGZPJMESA-N 0 0 462.623 4.512 20 30 JJEDRN C#CCN(C(=O)C[C@@H](C)N1CCc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 ZINC001444126400 1066410326 /nfs/dbraw/zinc/41/03/26/1066410326.db2.gz WDRNKVVTMTXESF-VGSWGCGISA-N 0 0 453.380 4.576 20 30 JJEDRN CCCCOc1ccc(C=NOCC(=O)N2Cc3ccccc3OC3(CCC3)C2)cc1OC ZINC001455710890 1066425390 /nfs/dbraw/zinc/42/53/90/1066425390.db2.gz ZSYZRERVSWLWFS-UHFFFAOYSA-N 0 0 452.551 4.569 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361145435 1066427832 /nfs/dbraw/zinc/42/78/32/1066427832.db2.gz XTRFXDAWTWONEY-KSEOMHKRSA-N 0 0 496.656 4.858 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361145434 1066428013 /nfs/dbraw/zinc/42/80/13/1066428013.db2.gz XTRFXDAWTWONEY-FCEUIQTBSA-N 0 0 496.656 4.858 20 30 JJEDRN CSc1ccc(CNC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1C#N ZINC001455782695 1066430715 /nfs/dbraw/zinc/43/07/15/1066430715.db2.gz RETGUUMLFSCFET-UHFFFAOYSA-N 0 0 451.592 4.546 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC3(CCCCC3)O2)c1 ZINC001361146010 1066431007 /nfs/dbraw/zinc/43/10/07/1066431007.db2.gz OTPQNIOLEGOSJD-IFMALSPDSA-N 0 0 451.615 4.952 20 30 JJEDRN C#CCCOc1ccc(C(=O)N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)cc1 ZINC001455791856 1066431717 /nfs/dbraw/zinc/43/17/17/1066431717.db2.gz JQFRGVAFHQYNCN-UHFFFAOYSA-N 0 0 456.970 4.909 20 30 JJEDRN C[C@](C#N)(NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1 ZINC001444230447 1066431745 /nfs/dbraw/zinc/43/17/45/1066431745.db2.gz KTFZLDXHYJFFCL-HSZRJFAPSA-N 0 0 458.653 4.878 20 30 JJEDRN CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545966507 1066440381 /nfs/dbraw/zinc/44/03/81/1066440381.db2.gz FTJVIOXGUPYMEZ-HXUWFJFHSA-N 0 0 482.629 4.514 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC001455880661 1066445414 /nfs/dbraw/zinc/44/54/14/1066445414.db2.gz VOLCAQLKYXZIDV-MGPQQGTHSA-N 0 0 458.374 4.630 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)CSC ZINC001444316329 1066446559 /nfs/dbraw/zinc/44/65/59/1066446559.db2.gz BNIVIXZLUNGFKD-ZHRRBRCNSA-N 0 0 459.011 4.904 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2CCCSc2nccs2)c1 ZINC001361152632 1066446610 /nfs/dbraw/zinc/44/66/10/1066446610.db2.gz VMKHFYIIKXGNFC-UHFFFAOYSA-N 0 0 468.652 4.853 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCc2nccc(C(F)(F)F)n2)c1 ZINC001361153505 1066450023 /nfs/dbraw/zinc/45/00/23/1066450023.db2.gz ZZXNDDFXJYIRGY-UHFFFAOYSA-N 0 0 499.541 4.656 20 30 JJEDRN C=CCN1C(=O)c2ccc(C(=O)O[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc2C1=O ZINC001361156984 1066459825 /nfs/dbraw/zinc/45/98/25/1066459825.db2.gz LGNGMJCZXSSEEE-MRXNPFEDSA-N 0 0 457.326 4.948 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@@H]2C)ccc1Cl ZINC001444613588 1066482923 /nfs/dbraw/zinc/48/29/23/1066482923.db2.gz HOLKKUUVCBHGHK-HOTGVXAUSA-N 0 0 450.963 4.731 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@](C)(O)CCC(C)C)cc1Br ZINC001361175221 1066492750 /nfs/dbraw/zinc/49/27/50/1066492750.db2.gz GWQRZFXEMMXTFR-OPAMFIHVSA-N 0 0 462.436 4.799 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)c2ccccn2)cc1Br ZINC001361175953 1066493632 /nfs/dbraw/zinc/49/36/32/1066493632.db2.gz ZHJCECGUXITLIS-INIZCTEOSA-N 0 0 467.415 4.985 20 30 JJEDRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(COc3ccccc3C#N)c2)cc1 ZINC001456055567 1066495845 /nfs/dbraw/zinc/49/58/45/1066495845.db2.gz YWTBBNVKQKDQPW-QHCPKHFHSA-N 0 0 457.555 4.600 20 30 JJEDRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001546079154 1066501696 /nfs/dbraw/zinc/50/16/96/1066501696.db2.gz GRGXPTXMFLVGKG-HRFSGMKKSA-N 0 0 496.656 4.858 20 30 JJEDRN Cn1c(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)nc2cc(F)ccc21 ZINC001444797702 1066505180 /nfs/dbraw/zinc/50/51/80/1066505180.db2.gz NJPCWSVZORRMJO-UHFFFAOYSA-N 0 0 459.506 4.567 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Br)cn3ncnc23)cc1F ZINC001444879163 1066515915 /nfs/dbraw/zinc/51/59/15/1066515915.db2.gz HBHFJUDLYAVUDH-UHFFFAOYSA-N 0 0 452.243 4.547 20 30 JJEDRN CSc1nc(C2CC2)cc(C(=O)N2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)c1C#N ZINC001456130530 1066517239 /nfs/dbraw/zinc/51/72/39/1066517239.db2.gz LQGKVXMRBSSXDJ-XMMPIXPASA-N 0 0 456.612 4.558 20 30 JJEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC001361194959 1066521501 /nfs/dbraw/zinc/52/15/01/1066521501.db2.gz BMUMFJSLDDJWQF-XMMPIXPASA-N 0 0 453.926 4.991 20 30 JJEDRN N#Cc1cccc(OC2CCN(C(=O)c3ccc(Cn4ccc(C(F)(F)F)n4)cc3)CC2)c1 ZINC001456160787 1066526273 /nfs/dbraw/zinc/52/62/73/1066526273.db2.gz MVJGVAKPFJGICT-UHFFFAOYSA-N 0 0 454.452 4.505 20 30 JJEDRN C#CCOc1ccc(F)cc1NC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001445027792 1066530942 /nfs/dbraw/zinc/53/09/42/1066530942.db2.gz IAODEURKFYQAOG-HXUWFJFHSA-N 0 0 455.530 4.891 20 30 JJEDRN C#CCOc1cc(F)ccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC ZINC001445037357 1066531424 /nfs/dbraw/zinc/53/14/24/1066531424.db2.gz WBDRSBJQUUXORD-FQEVSTJZSA-N 0 0 456.514 4.831 20 30 JJEDRN CC1(C(=O)Nc2nc(Cc3ccccc3)ns2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001456182671 1066531855 /nfs/dbraw/zinc/53/18/55/1066531855.db2.gz YTWOKCKNVOGKSA-UHFFFAOYSA-N 0 0 451.983 4.899 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2ccncc2)cc1Br ZINC001361212577 1066547354 /nfs/dbraw/zinc/54/73/54/1066547354.db2.gz NRAKHEYVWYKHSI-QHCPKHFHSA-N 0 0 465.399 4.784 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(Cl)c1 ZINC001456274915 1066552733 /nfs/dbraw/zinc/55/27/33/1066552733.db2.gz LUKNRIWVZOHMGR-LJQANCHMSA-N 0 0 454.958 4.537 20 30 JJEDRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC001456274391 1066552937 /nfs/dbraw/zinc/55/29/37/1066552937.db2.gz KEHDVYUDWOGGNM-HXUWFJFHSA-N 0 0 454.452 4.519 20 30 JJEDRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC001456277596 1066554005 /nfs/dbraw/zinc/55/40/05/1066554005.db2.gz UXYUKADLMNHBQW-KRWDZBQOSA-N 0 0 455.345 4.807 20 30 JJEDRN C[C@@H](CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC001445326342 1066557067 /nfs/dbraw/zinc/55/70/67/1066557067.db2.gz QPBVOGRAPYBXNM-KRWDZBQOSA-N 0 0 452.517 4.966 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)C2(Cc3ccccc3Br)CC2)ccc1OC ZINC001456296040 1066557357 /nfs/dbraw/zinc/55/73/57/1066557357.db2.gz WXYKGIWMSCXCAO-SFHVURJKSA-N 0 0 457.368 4.778 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CC(C)(C)C(C)C)o1 ZINC001361222421 1066560996 /nfs/dbraw/zinc/56/09/96/1066560996.db2.gz CJAGZFVIVLYDRE-UHFFFAOYSA-N 0 0 450.562 4.866 20 30 JJEDRN C[C@@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445433650 1066570995 /nfs/dbraw/zinc/57/09/95/1066570995.db2.gz CSVPPBYJTYDDGG-KRWDZBQOSA-N 0 0 452.517 4.846 20 30 JJEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC001456369368 1066572623 /nfs/dbraw/zinc/57/26/23/1066572623.db2.gz DKPJNDGPBHFIOE-UHFFFAOYSA-N 0 0 458.865 4.548 20 30 JJEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)COc2ccc3cc(Br)ccc3c2)c1 ZINC001456491756 1066598075 /nfs/dbraw/zinc/59/80/75/1066598075.db2.gz JPCYEGBSLVOXDU-HXUWFJFHSA-N 0 0 453.336 4.978 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C)n2)s1 ZINC001361261135 1066611752 /nfs/dbraw/zinc/61/17/52/1066611752.db2.gz IUBFQFWGUGEKOO-UHFFFAOYSA-N 0 0 464.620 4.743 20 30 JJEDRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001445809800 1066621782 /nfs/dbraw/zinc/62/17/82/1066621782.db2.gz AMFUZMUYKLZZQE-JOCHJYFZSA-N 0 0 451.567 4.951 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001361272216 1066626287 /nfs/dbraw/zinc/62/62/87/1066626287.db2.gz DUHGNVMMLSVKEN-SJORKVTESA-N 0 0 454.489 4.884 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(OC)C(C)C)ccc1Cl ZINC001445859183 1066627060 /nfs/dbraw/zinc/62/70/60/1066627060.db2.gz SCHAGSOJVJFPRW-UHFFFAOYSA-N 0 0 457.379 4.787 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(OC)[C@@H](C)CC)ccc1Cl ZINC001445858728 1066627099 /nfs/dbraw/zinc/62/70/99/1066627099.db2.gz PSCBSITYGJPXQU-HNNXBMFYSA-N 0 0 454.951 4.663 20 30 JJEDRN Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)nn1-c1nc(C)cc(C)n1 ZINC001361274144 1066630942 /nfs/dbraw/zinc/63/09/42/1066630942.db2.gz DYPZAWXOMMZPMR-UHFFFAOYSA-N 0 0 452.518 4.599 20 30 JJEDRN Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 ZINC001361281180 1066638823 /nfs/dbraw/zinc/63/88/23/1066638823.db2.gz BFFDVYKLODDJJX-CQSZACIVSA-N 0 0 466.401 4.599 20 30 JJEDRN Cc1ccc(Cn2c(C3CCC3)nnc2N(CCC#N)CCC(C)C)c(N2CCOCC2)c1 ZINC001361281006 1066638839 /nfs/dbraw/zinc/63/88/39/1066638839.db2.gz UZHVZKXVBWJACO-UHFFFAOYSA-N 0 0 450.631 4.505 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001456612451 1066643859 /nfs/dbraw/zinc/64/38/59/1066643859.db2.gz AHZLQZUMFFMFDZ-JOCHJYFZSA-N 0 0 455.377 4.968 20 30 JJEDRN CCc1ccccc1O[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1 ZINC001446019627 1066646466 /nfs/dbraw/zinc/64/64/66/1066646466.db2.gz AYJBIIQBCYCIDG-HHHXNRCGSA-N 0 0 455.558 4.841 20 30 JJEDRN N#CCOc1cc(F)ccc1NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC001446045097 1066651323 /nfs/dbraw/zinc/65/13/23/1066651323.db2.gz GTGBEIAOEPOAAL-UHFFFAOYSA-N 0 0 450.417 4.663 20 30 JJEDRN Cc1ccccc1OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(C#N)CC1 ZINC001492600027 1066652567 /nfs/dbraw/zinc/65/25/67/1066652567.db2.gz GDKVAMVABPNUOK-UHFFFAOYSA-N 0 0 450.974 4.901 20 30 JJEDRN Cc1ccccc1OCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N ZINC001492600460 1066653287 /nfs/dbraw/zinc/65/32/87/1066653287.db2.gz NHXZKACSVZAKES-CTNGQTDRSA-N 0 0 482.629 4.724 20 30 JJEDRN CN1CC[C@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@H]1c1ccc(F)cc1 ZINC001446196852 1066674834 /nfs/dbraw/zinc/67/48/34/1066674834.db2.gz RAORRTSOVUTFSK-JTHBVZDNSA-N 0 0 454.977 4.519 20 30 JJEDRN CC[C@@H](C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001456771148 1066685349 /nfs/dbraw/zinc/68/53/49/1066685349.db2.gz AMPUFNOFXXHUOD-FQEVSTJZSA-N 0 0 459.897 4.642 20 30 JJEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC001446366069 1066696967 /nfs/dbraw/zinc/69/69/67/1066696967.db2.gz QGVNYIYECQMTPY-UHFFFAOYSA-N 0 0 457.416 4.737 20 30 JJEDRN Cc1cn2c(n1)[C@H](Cn1c([C@H](C)Oc3cccc(C)c3C)nnc1N(C)[C@@H](C)CC#N)CCC2 ZINC001492628468 1066699102 /nfs/dbraw/zinc/69/91/02/1066699102.db2.gz GIKTYDRGJDYPQK-BVSLBCMMSA-N 0 0 461.614 4.856 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H](C)C#N)s1 ZINC001492630067 1066703583 /nfs/dbraw/zinc/70/35/83/1066703583.db2.gz NKSXJHIBIPVVPA-RYUDHWBXSA-N 0 0 465.446 4.934 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(C#N)c2)s1 ZINC001492632444 1066710900 /nfs/dbraw/zinc/71/09/00/1066710900.db2.gz FHFMIISIBXRGIB-HNNXBMFYSA-N 0 0 463.636 4.711 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 ZINC001492633125 1066712921 /nfs/dbraw/zinc/71/29/21/1066712921.db2.gz VDEXEQCDGVIVLU-MWTRTKDXSA-N 0 0 454.575 4.695 20 30 JJEDRN Cc1cnc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)(C)C)CC2)s1 ZINC001492633819 1066714442 /nfs/dbraw/zinc/71/44/42/1066714442.db2.gz PUYQSRHZNSNCHF-UHFFFAOYSA-N 0 0 450.612 4.781 20 30 JJEDRN Cc1coc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492634499 1066717236 /nfs/dbraw/zinc/71/72/36/1066717236.db2.gz PQTLGGUXQJKIMO-OAQYLSRUSA-N 0 0 490.608 4.768 20 30 JJEDRN N#Cc1cccc(OCCCCC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1 ZINC001446538068 1066717714 /nfs/dbraw/zinc/71/77/14/1066717714.db2.gz NXEKHAPTZYSVOT-LJAQVGFWSA-N 0 0 454.570 4.970 20 30 JJEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001456905700 1066717917 /nfs/dbraw/zinc/71/79/17/1066717917.db2.gz CMVIFBVDKVRPJX-UTKZUKDTSA-N 0 0 450.539 4.653 20 30 JJEDRN C=CCC[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001446564958 1066721163 /nfs/dbraw/zinc/72/11/63/1066721163.db2.gz DIZJKGAOKQCCEW-SFHVURJKSA-N 0 0 450.417 4.559 20 30 JJEDRN O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001446615731 1066726104 /nfs/dbraw/zinc/72/61/04/1066726104.db2.gz NCSZUTHIWGQMSH-GFCCVEGCSA-N 0 0 455.292 4.751 20 30 JJEDRN Cc1csc(CCCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)n1 ZINC001492643903 1066740587 /nfs/dbraw/zinc/74/05/87/1066740587.db2.gz DKSQDBILAUFCMJ-INIZCTEOSA-N 0 0 477.421 4.769 20 30 JJEDRN Cc1csc(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)n1 ZINC001492644166 1066741137 /nfs/dbraw/zinc/74/11/37/1066741137.db2.gz YOQYNYKTWMRVFM-UHFFFAOYSA-N 0 0 475.622 4.647 20 30 JJEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)n1 ZINC001446796170 1066741134 /nfs/dbraw/zinc/74/11/34/1066741134.db2.gz WHNZESYZPRDWCN-UHFFFAOYSA-N 0 0 457.799 4.922 20 30 JJEDRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001457010685 1066741206 /nfs/dbraw/zinc/74/12/06/1066741206.db2.gz MKFBLYDGJRPFSH-UHFFFAOYSA-N 0 0 451.458 4.822 20 30 JJEDRN COc1ccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2Cl)c(OC)c1 ZINC001457017028 1066743878 /nfs/dbraw/zinc/74/38/78/1066743878.db2.gz OEHQDNGCRJWYHR-VWLOTQADSA-N 0 0 450.922 4.708 20 30 JJEDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC001446816549 1066744408 /nfs/dbraw/zinc/74/44/08/1066744408.db2.gz PBYOCOJRGVEGNY-UHFFFAOYSA-N 0 0 450.878 4.525 20 30 JJEDRN CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001446900424 1066754884 /nfs/dbraw/zinc/75/48/84/1066754884.db2.gz QZKBQOWEFXPHIR-OFVILXPXSA-N 0 0 450.595 4.890 20 30 JJEDRN Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCCC(C)C)CC2)n1 ZINC001492651010 1066758497 /nfs/dbraw/zinc/75/84/97/1066758497.db2.gz APDHCILNUZLZCP-UHFFFAOYSA-N 0 0 480.638 4.574 20 30 JJEDRN Cc1nc(C)c(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)s1 ZINC001492655160 1066765200 /nfs/dbraw/zinc/76/52/00/1066765200.db2.gz LUCQVSRJTJMKEU-INIZCTEOSA-N 0 0 454.575 4.613 20 30 JJEDRN Cc1nc(C)c(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)s1 ZINC001492655503 1066766919 /nfs/dbraw/zinc/76/69/19/1066766919.db2.gz SKJLHHZVLMLWRM-SFHVURJKSA-N 0 0 460.529 4.912 20 30 JJEDRN C=CC[C@H](CO)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccc([N+](=O)[O-])c1 ZINC001447025301 1066767428 /nfs/dbraw/zinc/76/74/28/1066767428.db2.gz ICLVMPBDYQJOIO-XPFMCRKWSA-N 0 0 457.530 4.934 20 30 JJEDRN C=CC[C@@H](CO)CNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001447028352 1066768062 /nfs/dbraw/zinc/76/80/62/1066768062.db2.gz OPWVERXMCJRIJM-QGZVFWFLSA-N 0 0 457.646 4.870 20 30 JJEDRN Cc1nc(C)c(CCn2c([C@@H]3COc4ccccc4O3)nnc2N(CCC#N)CCC(C)C)s1 ZINC001492656653 1066769519 /nfs/dbraw/zinc/76/95/19/1066769519.db2.gz LCWMULPOOKFAPD-QFIPXVFZSA-N 0 0 480.638 4.873 20 30 JJEDRN N#Cc1ccc(C(=O)NCC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc32)cc1 ZINC001447064618 1066770164 /nfs/dbraw/zinc/77/01/64/1066770164.db2.gz AGKVPGKUOSXAQG-UHFFFAOYSA-N 0 0 456.889 4.921 20 30 JJEDRN Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)s1 ZINC001492657360 1066771028 /nfs/dbraw/zinc/77/10/28/1066771028.db2.gz RLMABEQAJUSPOY-NRFANRHFSA-N 0 0 464.639 4.917 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2ccnn2-c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC001457165430 1066777410 /nfs/dbraw/zinc/77/74/10/1066777410.db2.gz ROQATAAMLWFYTJ-UHFFFAOYSA-N 0 0 450.955 4.701 20 30 JJEDRN CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N)c1ccccc1 ZINC001545993384 1066781243 /nfs/dbraw/zinc/78/12/43/1066781243.db2.gz WHHPRKDYBSAKFH-KCZVDYSFSA-N 0 0 482.629 4.519 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(OC3CCCC3)cc2)cs1 ZINC001492661760 1066781331 /nfs/dbraw/zinc/78/13/31/1066781331.db2.gz LZUVBONTHUGHKA-QGZVFWFLSA-N 0 0 450.612 4.742 20 30 JJEDRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)c1 ZINC001457230448 1066795520 /nfs/dbraw/zinc/79/55/20/1066795520.db2.gz MMVPPXXLHDKSKW-UHFFFAOYSA-N 0 0 450.516 4.599 20 30 JJEDRN O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001447348576 1066796835 /nfs/dbraw/zinc/79/68/35/1066796835.db2.gz OVEHAAIRAXQGSW-UHFFFAOYSA-N 0 0 450.358 4.710 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(OCc4ccccc4F)cc3)[nH]n2)c1C ZINC001447370037 1066800889 /nfs/dbraw/zinc/80/08/89/1066800889.db2.gz RFEPDRYFSZFQQZ-UHFFFAOYSA-N 0 0 459.525 4.724 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001447397824 1066803158 /nfs/dbraw/zinc/80/31/58/1066803158.db2.gz FFRXNTGRDIGCMY-MSOLQXFVSA-N 0 0 453.352 4.558 20 30 JJEDRN CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CCO1 ZINC001546089365 1066806447 /nfs/dbraw/zinc/80/64/47/1066806447.db2.gz NFNQILHNMRFWKA-VVZHRXSXSA-N 0 0 451.615 4.663 20 30 JJEDRN N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCC(c3ccc(F)cc3)CC2)C1 ZINC001447520398 1066817876 /nfs/dbraw/zinc/81/78/76/1066817876.db2.gz LUFHHRYNCBYMKV-UHFFFAOYSA-N 0 0 456.359 4.739 20 30 JJEDRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@@H](c3ccc(OC(F)F)cc3)C(F)(F)F)c2N1 ZINC001447523004 1066818449 /nfs/dbraw/zinc/81/84/49/1066818449.db2.gz IZLXQJMCTUSPCO-WQHBLYJGSA-N 0 0 472.336 4.825 20 30 JJEDRN O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cccn2cc(C(F)(F)F)nc12 ZINC001447525206 1066818451 /nfs/dbraw/zinc/81/84/51/1066818451.db2.gz OXJJBUZLPYVMSR-ZDUSSCGKSA-N 0 0 453.289 4.988 20 30 JJEDRN C[C@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001447596686 1066827307 /nfs/dbraw/zinc/82/73/07/1066827307.db2.gz UZZGXECPZFMDJZ-INIZCTEOSA-N 0 0 451.448 4.851 20 30 JJEDRN Cc1nc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@](C)(C#N)C2)cs1 ZINC001492689052 1066835119 /nfs/dbraw/zinc/83/51/19/1066835119.db2.gz MXHFSSDMJVQJPZ-DFBJGRDBSA-N 0 0 499.685 4.530 20 30 JJEDRN COc1ccc(-c2ccc(CNC(=O)COc3ccc(C#N)c(Br)c3)s2)cc1 ZINC001457516538 1066848959 /nfs/dbraw/zinc/84/89/59/1066848959.db2.gz JZXWXBPSKXKGBP-UHFFFAOYSA-N 0 0 457.349 4.753 20 30 JJEDRN CC[C@H](c1nnc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)s1)c1ccccc1 ZINC001457531950 1066852942 /nfs/dbraw/zinc/85/29/42/1066852942.db2.gz MVXHGVSRHCXAJK-IBGZPJMESA-N 0 0 454.596 4.669 20 30 JJEDRN CC[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457538808 1066855112 /nfs/dbraw/zinc/85/51/12/1066855112.db2.gz IPDSIOYEWJDNAW-RRPNLBNLSA-N 0 0 455.558 4.760 20 30 JJEDRN C=CC[C@@]1(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)CCCN1C(=O)OC(C)(C)C ZINC001447903604 1066874664 /nfs/dbraw/zinc/87/46/64/1066874664.db2.gz MLUKVWMYHBSNIT-CVDCTZTESA-N 0 0 452.954 4.725 20 30 JJEDRN CCCc1c(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC001447972603 1066885676 /nfs/dbraw/zinc/88/56/76/1066885676.db2.gz ZLSXMHAILJVVTB-IEBWSBKVSA-N 0 0 451.571 4.528 20 30 JJEDRN N#Cc1cccnc1OC1CCC(NC(=O)/C(F)=C/c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001448010958 1066889991 /nfs/dbraw/zinc/88/99/91/1066889991.db2.gz VFYOZQALBAJOOR-ODLFYWEKSA-N 0 0 451.395 4.928 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC001448025121 1066891659 /nfs/dbraw/zinc/89/16/59/1066891659.db2.gz AVLBSLRRUJNOMI-UHFFFAOYSA-N 0 0 452.352 4.707 20 30 JJEDRN Cc1nn(C)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001492722178 1066893427 /nfs/dbraw/zinc/89/34/27/1066893427.db2.gz UVUSKHGHAONCBD-HSZRJFAPSA-N 0 0 459.642 4.596 20 30 JJEDRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001492729687 1066899786 /nfs/dbraw/zinc/89/97/86/1066899786.db2.gz IANPCDWGCSSWPX-IGKIAQTJSA-N 0 0 475.641 4.659 20 30 JJEDRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C#N ZINC001492731699 1066902765 /nfs/dbraw/zinc/90/27/65/1066902765.db2.gz CTVKGOTVTBVPQQ-DNVKUUNQSA-N 0 0 489.668 4.703 20 30 JJEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001457726128 1066905146 /nfs/dbraw/zinc/90/51/46/1066905146.db2.gz MAKLCUVJHIXLTN-OAQYLSRUSA-N 0 0 458.305 4.732 20 30 JJEDRN N[C@](C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)(c1cccc(F)c1)C(F)(F)F ZINC001457740778 1066908249 /nfs/dbraw/zinc/90/82/49/1066908249.db2.gz BZEHKNSMDXMHHI-SFHVURJKSA-N 0 0 452.345 4.548 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001448197501 1066909003 /nfs/dbraw/zinc/90/90/03/1066909003.db2.gz YUPONNSWTNCIIG-MOPGFXCFSA-N 0 0 475.923 4.757 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)n1 ZINC001492736168 1066910657 /nfs/dbraw/zinc/91/06/57/1066910657.db2.gz WWPYZSYFPDVPIH-SFHVURJKSA-N 0 0 459.623 4.588 20 30 JJEDRN CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C)(C#N)CC1)NC(=O)OC(C)(C)C ZINC001546005827 1066925866 /nfs/dbraw/zinc/92/58/66/1066925866.db2.gz KEAOKTULBXFPKM-JOCHJYFZSA-N 0 0 480.657 4.887 20 30 JJEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001448577252 1066939842 /nfs/dbraw/zinc/93/98/42/1066939842.db2.gz MULWVGYIYOETRU-UWJYYQICSA-N 0 0 457.596 4.792 20 30 JJEDRN O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001457932600 1066942682 /nfs/dbraw/zinc/94/26/82/1066942682.db2.gz HWJCWIIBEJBVJG-UHFFFAOYSA-N 0 0 453.314 4.770 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001448773648 1066956639 /nfs/dbraw/zinc/95/66/39/1066956639.db2.gz DMAIEIJRXYJYFX-CTNGQTDRSA-N 0 0 454.546 4.576 20 30 JJEDRN CCN(C(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)c1ccc(C#N)c(Cl)c1 ZINC001458033234 1066958647 /nfs/dbraw/zinc/95/86/47/1066958647.db2.gz GKNADHMYJJQUEU-NRFANRHFSA-N 0 0 457.958 4.709 20 30 JJEDRN C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448828173 1066960331 /nfs/dbraw/zinc/96/03/31/1066960331.db2.gz KTEXEJZBKIWWHA-KXBFYZLASA-N 0 0 457.024 4.839 20 30 JJEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)/C=C/c3cccc(-c4ccc(Cl)cc4)c3)C2=O)cc1 ZINC001448839146 1066961729 /nfs/dbraw/zinc/96/17/29/1066961729.db2.gz GTOWTMQLNJWGEJ-UJZCAVEWSA-N 0 0 455.945 4.809 20 30 JJEDRN CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C ZINC001546010303 1066967603 /nfs/dbraw/zinc/96/76/03/1066967603.db2.gz JQILBYVPHNAKMP-KDYSTLNUSA-N 0 0 496.656 4.907 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC001545709897 1066969661 /nfs/dbraw/zinc/96/96/61/1066969661.db2.gz NFPCPWZXEODXPQ-PZJWPPBQSA-N 0 0 450.585 4.736 20 30 JJEDRN CCOc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1OCc1cccnc1 ZINC001448922138 1066969943 /nfs/dbraw/zinc/96/99/43/1066969943.db2.gz NIFROESAKDECFO-UHFFFAOYSA-N 0 0 457.530 4.615 20 30 JJEDRN C[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458091267 1066971736 /nfs/dbraw/zinc/97/17/36/1066971736.db2.gz CBICQCQNSFRPCG-MRXNPFEDSA-N 0 0 452.530 4.549 20 30 JJEDRN C[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458091262 1066971844 /nfs/dbraw/zinc/97/18/44/1066971844.db2.gz CBICQCQNSFRPCG-INIZCTEOSA-N 0 0 452.530 4.549 20 30 JJEDRN O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001448941579 1066972331 /nfs/dbraw/zinc/97/23/31/1066972331.db2.gz ULTOCUQPDMGQFB-UJMHRVFCSA-N 0 0 455.301 4.903 20 30 JJEDRN N#Cc1cc(NC(=O)/C=C\c2ccccc2OCc2ccccc2)ccc1N1CCC(O)CC1 ZINC001545718341 1066972776 /nfs/dbraw/zinc/97/27/76/1066972776.db2.gz DCGFVUGIMGJKSX-RAXLEYEMSA-N 0 0 453.542 4.750 20 30 JJEDRN N#Cc1ccc(OC2CCC(NC(=O)C3(Cc4ccccc4Br)CC3)CC2)nc1 ZINC001458094908 1066973642 /nfs/dbraw/zinc/97/36/42/1066973642.db2.gz SEDBYNLSPGSCSX-UHFFFAOYSA-N 0 0 454.368 4.545 20 30 JJEDRN N#Cc1cnc(N2CCN(Cc3ccc(-c4cccc(Br)c4)s3)CC2)c(F)c1 ZINC001458094983 1066973819 /nfs/dbraw/zinc/97/38/19/1066973819.db2.gz VFKHHNGYVGUNOA-UHFFFAOYSA-N 0 0 457.372 4.906 20 30 JJEDRN CC(C)Oc1ccc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1C#N ZINC001458101150 1066975409 /nfs/dbraw/zinc/97/54/09/1066975409.db2.gz BNDTYYYJHGGPIR-STZFKDTASA-N 0 0 456.531 4.697 20 30 JJEDRN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H](CCC#N)c4ccccc4)c(=O)c23)cc1 ZINC001458146158 1066987509 /nfs/dbraw/zinc/98/75/09/1066987509.db2.gz JBXLYOSTGBECAC-QFIPXVFZSA-N 0 0 456.571 4.985 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1C#N ZINC001458153804 1066989782 /nfs/dbraw/zinc/98/97/82/1066989782.db2.gz DXJRUHVACWUXIL-UHFFFAOYSA-N 0 0 453.502 4.706 20 30 JJEDRN C=CC[C@@]1(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)CCCN1C(=O)OC(C)(C)C ZINC001449228552 1066991235 /nfs/dbraw/zinc/99/12/35/1066991235.db2.gz NJFWLQLTWVSCJS-RLWLMLJZSA-N 0 0 453.583 4.573 20 30 JJEDRN CC[C@@H](c1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1OCC(F)F)c1ccccc1 ZINC001545733723 1066995909 /nfs/dbraw/zinc/99/59/09/1066995909.db2.gz GSYMLHGPWDEZAG-OAQYLSRUSA-N 0 0 466.536 4.647 20 30 JJEDRN CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC001449358201 1067003420 /nfs/dbraw/zinc/00/34/20/1067003420.db2.gz UZGOTLJUXLMSJW-BZSNNMDCSA-N 0 0 452.558 4.650 20 30 JJEDRN N#CC[C@H](CC(=O)N(CCn1ccnc1)Cc1ccccc1Br)c1ccccc1 ZINC001449378485 1067005690 /nfs/dbraw/zinc/00/56/90/1067005690.db2.gz YDFOJOCJOOIEML-HXUWFJFHSA-N 0 0 451.368 4.762 20 30 JJEDRN CCn1nc(C(F)(F)F)c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1C(F)F ZINC001458224495 1067007232 /nfs/dbraw/zinc/00/72/32/1067007232.db2.gz UECKCEVSOWXCDG-UHFFFAOYSA-N 0 0 458.778 4.822 20 30 JJEDRN CS(=O)(=O)c1cccc([C@@H](Nc2nccc(Oc3cccc(C#N)c3)n2)c2ccccc2)c1 ZINC001458225833 1067007257 /nfs/dbraw/zinc/00/72/57/1067007257.db2.gz LHXZCILSPFYPQB-DEOSSOPVSA-N 0 0 456.527 4.746 20 30 JJEDRN CC[C@H](c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545741104 1067007278 /nfs/dbraw/zinc/00/72/78/1067007278.db2.gz JXKKUPNCERFEAV-URXFXBBRSA-N 0 0 492.565 4.926 20 30 JJEDRN CC[C@H](c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545741105 1067007286 /nfs/dbraw/zinc/00/72/86/1067007286.db2.gz JXKKUPNCERFEAV-XUZZJYLKSA-N 0 0 492.565 4.926 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545741339 1067007541 /nfs/dbraw/zinc/00/75/41/1067007541.db2.gz OPPCCALXHAYCTE-YPCDYVTLSA-N 0 0 484.620 4.811 20 30 JJEDRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 ZINC001546014656 1067011300 /nfs/dbraw/zinc/01/13/00/1067011300.db2.gz LVXIPEPDFWJWGY-YUVXSKOASA-N 0 0 466.630 4.981 20 30 JJEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)n1 ZINC001458255683 1067013944 /nfs/dbraw/zinc/01/39/44/1067013944.db2.gz USRINLIXWXSWGC-UHFFFAOYSA-N 0 0 455.699 4.574 20 30 JJEDRN C=CCC1(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC001449610270 1067017854 /nfs/dbraw/zinc/01/78/54/1067017854.db2.gz QVGYUIGCQAVORV-OALUTQOASA-N 0 0 454.640 4.731 20 30 JJEDRN C=CCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl ZINC001458272718 1067018259 /nfs/dbraw/zinc/01/82/59/1067018259.db2.gz LKTNSBCOESXJSW-INIZCTEOSA-N 0 0 450.988 4.648 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)CCCCOc3cccc(C#N)c3)C2)C1 ZINC001449709453 1067022383 /nfs/dbraw/zinc/02/23/83/1067022383.db2.gz RZEHCAJKBRZTSI-FCHUYYIVSA-N 0 0 455.599 4.603 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC001546099013 1067024478 /nfs/dbraw/zinc/02/44/78/1067024478.db2.gz TXRAHOBWCXVXPC-FQEVSTJZSA-N 0 0 453.361 4.935 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1 ZINC001546099014 1067024554 /nfs/dbraw/zinc/02/45/54/1067024554.db2.gz TXRAHOBWCXVXPC-HXUWFJFHSA-N 0 0 453.361 4.935 20 30 JJEDRN CCOc1cc(Br)c(CC(=O)Nc2nc3c(cc2C#N)CCCC3)cc1OCC ZINC001458320778 1067029760 /nfs/dbraw/zinc/02/97/60/1067029760.db2.gz DVIPQYSLLVARPC-UHFFFAOYSA-N 0 0 458.356 4.573 20 30 JJEDRN C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1=O ZINC001450077073 1067047997 /nfs/dbraw/zinc/04/79/97/1067047997.db2.gz GGVKPHWDYQKCDI-BVZFJXPGSA-N 0 0 456.521 4.923 20 30 JJEDRN N#Cc1cc(N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)ncc1Br ZINC001458400450 1067052726 /nfs/dbraw/zinc/05/27/26/1067052726.db2.gz IDFGSFYROSMQHC-NQIIRXRSSA-N 0 0 454.299 4.718 20 30 JJEDRN CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1)SC ZINC001545771030 1067057193 /nfs/dbraw/zinc/05/71/93/1067057193.db2.gz CZHYHXXUAIQSDD-AZUAARDMSA-N 0 0 486.661 4.656 20 30 JJEDRN C=CCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001450200628 1067059811 /nfs/dbraw/zinc/05/98/11/1067059811.db2.gz VASMLVQQAOPTEC-UHFFFAOYSA-N 0 0 451.386 4.582 20 30 JJEDRN N#C[C@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(OC(F)(F)F)cc1 ZINC001458438322 1067060325 /nfs/dbraw/zinc/06/03/25/1067060325.db2.gz GHDDZTXJNDFNIX-KRWDZBQOSA-N 0 0 454.330 4.784 20 30 JJEDRN N#C[C@@H](NC(=O)COc1ccccc1OCc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC001458439357 1067060714 /nfs/dbraw/zinc/06/07/14/1067060714.db2.gz KYGIBTSNMRSGBQ-HXUWFJFHSA-N 0 0 456.420 4.924 20 30 JJEDRN N#C[C@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1cccc(Br)c1 ZINC001458451689 1067066087 /nfs/dbraw/zinc/06/60/87/1067066087.db2.gz YNGHJZOADLEWOH-INIZCTEOSA-N 0 0 456.731 4.555 20 30 JJEDRN N#CCCC[C@@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1 ZINC001450266906 1067066473 /nfs/dbraw/zinc/06/64/73/1067066473.db2.gz ASHJREGUGBLWDE-QGZVFWFLSA-N 0 0 452.605 4.670 20 30 JJEDRN CC(C)(C)c1cc(NC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c(C#N)s1 ZINC001458454662 1067067513 /nfs/dbraw/zinc/06/75/13/1067067513.db2.gz NVGGNHIOHDBGHA-INIZCTEOSA-N 0 0 456.637 4.808 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545775483 1067068625 /nfs/dbraw/zinc/06/86/25/1067068625.db2.gz AAMZHABQZYXMEJ-OALUTQOASA-N 0 0 482.629 4.514 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)SC ZINC001545775728 1067069418 /nfs/dbraw/zinc/06/94/18/1067069418.db2.gz JCENKBKUEHKKJD-CEYNDMKZSA-N 0 0 469.655 4.511 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1)SC ZINC001545775949 1067069886 /nfs/dbraw/zinc/06/98/86/1067069886.db2.gz QFVRNTNABFQISL-OAQYLSRUSA-N 0 0 463.655 4.856 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)SC ZINC001545776048 1067070334 /nfs/dbraw/zinc/07/03/34/1067070334.db2.gz UIUJYEJRSYGEKF-QGZVFWFLSA-N 0 0 480.604 4.811 20 30 JJEDRN Cc1nc(COc2cccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)no1 ZINC001458514804 1067079026 /nfs/dbraw/zinc/07/90/26/1067079026.db2.gz INYWYRZFSHTHDZ-XMMPIXPASA-N 0 0 454.486 4.531 20 30 JJEDRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001546022828 1067080364 /nfs/dbraw/zinc/08/03/64/1067080364.db2.gz OKMSNOQDBDTMEN-UHFFFAOYSA-N 0 0 497.441 4.638 20 30 JJEDRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC001458534954 1067083515 /nfs/dbraw/zinc/08/35/15/1067083515.db2.gz CEPFCAAXSHZZLP-RUZDIDTESA-N 0 0 453.498 4.540 20 30 JJEDRN CCC(CC)(Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1)SC ZINC001545789657 1067086058 /nfs/dbraw/zinc/08/60/58/1067086058.db2.gz OPPHPRHNZJXLQC-QHCPKHFHSA-N 0 0 451.644 4.568 20 30 JJEDRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N[C@@]3(C#N)CC3(C)C)cc2)c1C ZINC001450541310 1067088535 /nfs/dbraw/zinc/08/85/35/1067088535.db2.gz MWEOSUXZRNDLDR-RUZDIDTESA-N 0 0 453.608 4.824 20 30 JJEDRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CC#N)CC1 ZINC001546024522 1067096255 /nfs/dbraw/zinc/09/62/55/1067096255.db2.gz ICWYXHRJLDLSRL-UHFFFAOYSA-N 0 0 464.383 4.528 20 30 JJEDRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001458619806 1067096979 /nfs/dbraw/zinc/09/69/79/1067096979.db2.gz GQPKLYKIPORKHJ-UNMCSNQZSA-N 0 0 451.567 4.940 20 30 JJEDRN N#C[C@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC001458623837 1067097656 /nfs/dbraw/zinc/09/76/56/1067097656.db2.gz KTOBZDUXLCDIHZ-IBGZPJMESA-N 0 0 451.375 4.851 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)OC ZINC001545797913 1067097964 /nfs/dbraw/zinc/09/79/64/1067097964.db2.gz BYSZIROGKAVVAV-PKTZIBPZSA-N 0 0 453.631 4.909 20 30 JJEDRN N#C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC001458629128 1067098877 /nfs/dbraw/zinc/09/88/77/1067098877.db2.gz UPBKYTBQGANMRH-QGZVFWFLSA-N 0 0 456.390 4.717 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C#N)CC1)OC ZINC001545798769 1067101823 /nfs/dbraw/zinc/10/18/23/1067101823.db2.gz RBKYAGITSWIADV-DEOSSOPVSA-N 0 0 461.614 4.916 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)OC ZINC001545798907 1067102971 /nfs/dbraw/zinc/10/29/71/1067102971.db2.gz SZGHABJMFYFYEL-LOSJGSFVSA-N 0 0 490.656 4.708 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C#N)C1)OC ZINC001545798941 1067102995 /nfs/dbraw/zinc/10/29/95/1067102995.db2.gz UDBZTIOMDHYNID-LEWJYISDSA-N 0 0 471.671 4.846 20 30 JJEDRN N#Cc1cccc(OCc2ccoc2C(=O)NCc2nc3cc(Br)ccc3o2)c1 ZINC001450693879 1067104383 /nfs/dbraw/zinc/10/43/83/1067104383.db2.gz PXGWRLVLBZOANJ-UHFFFAOYSA-N 0 0 452.264 4.564 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccc(Cl)c(C#N)n1)Cc1ccccc1O2 ZINC001458669437 1067105027 /nfs/dbraw/zinc/10/50/27/1067105027.db2.gz QVLFTPQHUDMNOO-UHFFFAOYSA-N 0 0 454.958 4.775 20 30 JJEDRN CCOc1c(Cl)cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1Cl ZINC001458681247 1067108028 /nfs/dbraw/zinc/10/80/28/1067108028.db2.gz AXVRPMBSZGIRNB-LBPRGKRZSA-N 0 0 452.725 4.909 20 30 JJEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC001458682539 1067108087 /nfs/dbraw/zinc/10/80/87/1067108087.db2.gz KOIOPCNSZBDCRT-UHFFFAOYSA-N 0 0 457.921 4.861 20 30 JJEDRN CCC(O)(CC)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001546026063 1067118272 /nfs/dbraw/zinc/11/82/72/1067118272.db2.gz BHQULXQNJIQZBB-NRFANRHFSA-N 0 0 479.028 4.875 20 30 JJEDRN CCCCCCn1c(S[C@@H](C)C(=O)NC2(C#N)CCC2)nc2sc3c(c2c1=O)CCC3 ZINC001458726310 1067118777 /nfs/dbraw/zinc/11/87/77/1067118777.db2.gz PURBWEUMWCTOMH-HNNXBMFYSA-N 0 0 458.653 4.570 20 30 JJEDRN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O ZINC001458729294 1067120970 /nfs/dbraw/zinc/12/09/70/1067120970.db2.gz FKIDKHXPGWIMEC-RUZDIDTESA-N 0 0 459.889 4.654 20 30 JJEDRN CCCCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCc1ccc(C#N)o1 ZINC001458735474 1067125512 /nfs/dbraw/zinc/12/55/12/1067125512.db2.gz SKEBILXHYNMUTH-UHFFFAOYSA-N 0 0 458.609 4.768 20 30 JJEDRN CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C ZINC001458752712 1067132181 /nfs/dbraw/zinc/13/21/81/1067132181.db2.gz MATMBMVEGFEVRI-RDJZCZTQSA-N 0 0 459.685 4.795 20 30 JJEDRN CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001546027536 1067136812 /nfs/dbraw/zinc/13/68/12/1067136812.db2.gz CIHQNLSJTKXGFM-HXUWFJFHSA-N 0 0 494.665 4.700 20 30 JJEDRN CS(=O)(=O)c1cc(C(=O)N[C@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)ccc1F ZINC001458781684 1067144801 /nfs/dbraw/zinc/14/48/01/1067144801.db2.gz JIXPQVSJVYLUAB-CQSZACIVSA-N 0 0 457.367 4.672 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1 ZINC001451177715 1067152061 /nfs/dbraw/zinc/15/20/61/1067152061.db2.gz LBTUGMFMVRRONB-UHFFFAOYSA-N 0 0 451.361 4.910 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nc2scc(-c3ccccc3)c2c1=O ZINC001458818824 1067154804 /nfs/dbraw/zinc/15/48/04/1067154804.db2.gz OAJQWBRIAVOVKA-CYBMUJFWSA-N 0 0 454.602 4.887 20 30 JJEDRN CC(C)c1ccccc1-n1c(S[C@@H](C(N)=O)c2ccc(C#N)cc2)nnc1-c1cccnc1 ZINC001458827357 1067159712 /nfs/dbraw/zinc/15/97/12/1067159712.db2.gz VBYBRDNVBPNCKD-JOCHJYFZSA-N 0 0 454.559 4.643 20 30 JJEDRN C=CCn1c(SC[C@H]2CCC3(CCOCC3)O2)nnc1-c1ccc(Br)cc1 ZINC001458830072 1067161419 /nfs/dbraw/zinc/16/14/19/1067161419.db2.gz RIVNBUKHYIRGHN-QGZVFWFLSA-N 0 0 450.402 4.714 20 30 JJEDRN CCn1c(SCCC(=O)Nc2cccc(C#N)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001458831928 1067161470 /nfs/dbraw/zinc/16/14/70/1067161470.db2.gz ZCVYDTKZKIBDSA-AWEZNQCLSA-N 0 0 452.605 4.595 20 30 JJEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC001458838865 1067166177 /nfs/dbraw/zinc/16/61/77/1067166177.db2.gz WTJYRJXACJLMSV-UHFFFAOYSA-N 0 0 456.437 4.656 20 30 JJEDRN CCC(CC)c1cc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C#N)C2)on1 ZINC001545825093 1067171135 /nfs/dbraw/zinc/17/11/35/1067171135.db2.gz RVNCVVPPENRVHU-JOCHJYFZSA-N 0 0 492.624 4.958 20 30 JJEDRN C#Cc1cccc(CNC(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001451435548 1067171926 /nfs/dbraw/zinc/17/19/26/1067171926.db2.gz BCMORBOQBIVOFP-JOCHJYFZSA-N 0 0 452.554 4.849 20 30 JJEDRN C[C@H](NC(=O)c1cccc(CN2C(=O)CSC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001458850825 1067171920 /nfs/dbraw/zinc/17/19/20/1067171920.db2.gz LQUOMXJVUHGNOI-KRWDZBQOSA-N 0 0 455.539 4.912 20 30 JJEDRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC(=O)N2C)cc1 ZINC001458853091 1067173836 /nfs/dbraw/zinc/17/38/36/1067173836.db2.gz QXMGSBOPNZWENN-OTGIWPJISA-N 0 0 453.542 4.631 20 30 JJEDRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3cc(C#N)ccc3OCCOC)s2)cc1 ZINC001458874307 1067182502 /nfs/dbraw/zinc/18/25/02/1067182502.db2.gz DFARRAQJTUVHLR-UHFFFAOYSA-N 0 0 451.548 4.920 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001451972362 1067201750 /nfs/dbraw/zinc/20/17/50/1067201750.db2.gz KTBCMDJUMQQJRK-QRFQSNJMSA-N 0 0 451.489 4.593 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC23CC3)ccc1Cl ZINC001451975746 1067201808 /nfs/dbraw/zinc/20/18/08/1067201808.db2.gz FVRPNYCWWUDMFZ-LJQANCHMSA-N 0 0 451.375 4.657 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001451973815 1067201879 /nfs/dbraw/zinc/20/18/79/1067201879.db2.gz OPUQALOJAWLSSM-CRAIPNDOSA-N 0 0 453.505 4.839 20 30 JJEDRN COc1ccccc1Cc1nnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)o1 ZINC001458937156 1067202896 /nfs/dbraw/zinc/20/28/96/1067202896.db2.gz URWDHVZZXCEJKW-HNNXBMFYSA-N 0 0 454.577 4.652 20 30 JJEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)CSc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC001458967512 1067212612 /nfs/dbraw/zinc/21/26/12/1067212612.db2.gz FMHSFRQJUFAKGQ-HXUWFJFHSA-N 0 0 450.391 4.503 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001452189629 1067213258 /nfs/dbraw/zinc/21/32/58/1067213258.db2.gz KQQDGNZHYYLHBI-LIRRHRJNSA-N 0 0 452.382 4.831 20 30 JJEDRN C=CCn1c(SCC(=O)N(c2ccccc2)[C@H]2CCOC2)nnc1-c1ccc(Cl)cc1 ZINC001458971996 1067213708 /nfs/dbraw/zinc/21/37/08/1067213708.db2.gz FDXYTBUZOXFHCF-FQEVSTJZSA-N 0 0 454.983 4.699 20 30 JJEDRN CC1(CC(F)F)CN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)C1 ZINC001452220338 1067214193 /nfs/dbraw/zinc/21/41/93/1067214193.db2.gz DFOSVTOFTMXGOP-UHFFFAOYSA-N 0 0 458.765 4.994 20 30 JJEDRN C=CCn1c(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)nnc1-c1ccccn1 ZINC001458984866 1067219240 /nfs/dbraw/zinc/21/92/40/1067219240.db2.gz MWYPLQBDFYQRNQ-UHFFFAOYSA-N 0 0 455.543 4.753 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cc(Cl)ccc2OC)[nH]n1 ZINC001452337104 1067220330 /nfs/dbraw/zinc/22/03/30/1067220330.db2.gz LQCUDGDJEDNYOJ-OAHLLOKOSA-N 0 0 455.342 4.713 20 30 JJEDRN C=C(C)Cn1c(S[C@@H](C(=O)OC)c2ccccc2Br)nnc1-c1ccncc1 ZINC001458991828 1067222064 /nfs/dbraw/zinc/22/20/64/1067222064.db2.gz FHINTGGXRWNAIH-QGZVFWFLSA-N 0 0 459.369 4.685 20 30 JJEDRN C=CCN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001458993567 1067222923 /nfs/dbraw/zinc/22/29/23/1067222923.db2.gz DQXZKQMUDZLZKW-OAQYLSRUSA-N 0 0 456.514 4.891 20 30 JJEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC001459002980 1067226669 /nfs/dbraw/zinc/22/66/69/1067226669.db2.gz VBIMSSJWTKRAQU-GOSISDBHSA-N 0 0 450.564 4.673 20 30 JJEDRN COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC001459026737 1067231814 /nfs/dbraw/zinc/23/18/14/1067231814.db2.gz AJFAHPNBHAVPHI-WOJGMQOQSA-N 0 0 450.482 4.860 20 30 JJEDRN N#Cc1ccc(OCC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc1Br ZINC001459050774 1067239235 /nfs/dbraw/zinc/23/92/35/1067239235.db2.gz MHFNEGZUQPPXMY-UHFFFAOYSA-N 0 0 453.258 4.566 20 30 JJEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001452647687 1067240311 /nfs/dbraw/zinc/24/03/11/1067240311.db2.gz DKCJDXYITVBOGL-UHFFFAOYSA-N 0 0 459.468 4.804 20 30 JJEDRN N#Cc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)c(I)c1 ZINC001459054765 1067240479 /nfs/dbraw/zinc/24/04/79/1067240479.db2.gz KFAWBNHZANGOBF-UHFFFAOYSA-N 0 0 454.267 4.847 20 30 JJEDRN C=C(C)CONC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC001452756232 1067248600 /nfs/dbraw/zinc/24/86/00/1067248600.db2.gz NFFUKXSQRSCLKY-UHFFFAOYSA-N 0 0 452.576 4.666 20 30 JJEDRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(F)nc1C#N ZINC001459114491 1067253476 /nfs/dbraw/zinc/25/34/76/1067253476.db2.gz QEGUWHNEWMYIER-UHFFFAOYSA-N 0 0 459.886 4.668 20 30 JJEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cc1C ZINC001459119232 1067254592 /nfs/dbraw/zinc/25/45/92/1067254592.db2.gz OFGCRIWQOAGREU-UHFFFAOYSA-N 0 0 455.562 4.781 20 30 JJEDRN Cc1cc(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)c(C)n1-c1ccc(C#N)cc1 ZINC001452813643 1067254726 /nfs/dbraw/zinc/25/47/26/1067254726.db2.gz BSBPGJKWZUHKBP-MUUNZHRXSA-N 0 0 457.574 4.995 20 30 JJEDRN C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCc2ccc(Cl)cc21 ZINC001452825398 1067256148 /nfs/dbraw/zinc/25/61/48/1067256148.db2.gz YNXLLZNYLWXEOZ-RWAWVRQUSA-N 0 0 458.002 4.615 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001452862078 1067258187 /nfs/dbraw/zinc/25/81/87/1067258187.db2.gz HKJKFUBRUZHCAK-GOSISDBHSA-N 0 0 456.414 4.892 20 30 JJEDRN Cc1cc(Cl)cc(C#N)c1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001459140798 1067259098 /nfs/dbraw/zinc/25/90/98/1067259098.db2.gz QWASVHKZWQZUMZ-UHFFFAOYSA-N 0 0 459.977 4.833 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(C#N)C2)O1 ZINC001546045665 1067260068 /nfs/dbraw/zinc/26/00/68/1067260068.db2.gz REFCYQKYLVNCEV-RMUDUWAUSA-N 0 0 464.614 4.625 20 30 JJEDRN C[C@@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cc(C#N)cc(N(C)C)c3)sc2[C@H](C)O1 ZINC001459158553 1067263642 /nfs/dbraw/zinc/26/36/42/1067263642.db2.gz HEQZCDQOPIUCIV-KGLIPLIRSA-N 0 0 455.580 4.916 20 30 JJEDRN C=CCCSCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001452989588 1067271070 /nfs/dbraw/zinc/27/10/70/1067271070.db2.gz SLGGPIDCLMSOIR-UHFFFAOYSA-N 0 0 459.420 4.833 20 30 JJEDRN C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)C1 ZINC001452996855 1067272725 /nfs/dbraw/zinc/27/27/25/1067272725.db2.gz BVZACUWDXQCLRZ-SFHVURJKSA-N 0 0 459.011 4.515 20 30 JJEDRN C#C[C@H](NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H]1CCCO1 ZINC001459231126 1067274662 /nfs/dbraw/zinc/27/46/62/1067274662.db2.gz WUPMJRICEKTLLZ-VBRDFVIOSA-N 0 0 457.636 4.693 20 30 JJEDRN 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CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)O1 ZINC001546048501 1067288796 /nfs/dbraw/zinc/28/87/96/1067288796.db2.gz NADYGBMHMLDNJQ-WMZHIEFXSA-N 0 0 487.530 4.553 20 30 JJEDRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001459318224 1067293561 /nfs/dbraw/zinc/29/35/61/1067293561.db2.gz BSFIANQKGSROSV-HSZRJFAPSA-N 0 0 459.502 4.621 20 30 JJEDRN CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1 ZINC001459321648 1067294657 /nfs/dbraw/zinc/29/46/57/1067294657.db2.gz CILXECHXRVZRBB-UHFFFAOYSA-N 0 0 457.574 4.754 20 30 JJEDRN C=CCCCCNC(=O)[C@@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC001459358469 1067302303 /nfs/dbraw/zinc/30/23/03/1067302303.db2.gz NTNVLKRHXOVLKU-GFCCVEGCSA-N 0 0 458.727 4.733 20 30 JJEDRN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001453534876 1067311644 /nfs/dbraw/zinc/31/16/44/1067311644.db2.gz APJIVFJCRDUSKH-BBWFWOEESA-N 0 0 451.530 4.509 20 30 JJEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCc4c(Br)cccc4C3)sc2C1 ZINC001459422787 1067321048 /nfs/dbraw/zinc/32/10/48/1067321048.db2.gz XBCPZNBQLYTFAY-AWEZNQCLSA-N 0 0 458.425 4.894 20 30 JJEDRN CCc1ccc([C@H](NC(=O)CN2CCCN(c3ccccc3C#N)CC2)c2cccs2)cc1 ZINC001459440364 1067325485 /nfs/dbraw/zinc/32/54/85/1067325485.db2.gz SJNVLSSIDPLMTP-MHZLTWQESA-N 0 0 458.631 4.600 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)CC2)nc1 ZINC001453766780 1067328188 /nfs/dbraw/zinc/32/81/88/1067328188.db2.gz AZGYJXGFXGAKBP-UHFFFAOYSA-N 0 0 452.967 4.591 20 30 JJEDRN C=CCn1c(SCC(=O)NCc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC001459481255 1067335932 /nfs/dbraw/zinc/33/59/32/1067335932.db2.gz SCXWKBDEFPOARI-UHFFFAOYSA-N 0 0 458.374 4.718 20 30 JJEDRN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001459513980 1067342396 /nfs/dbraw/zinc/34/23/96/1067342396.db2.gz JRNIFFOBYFRKQQ-GOTSBHOMSA-N 0 0 459.550 4.620 20 30 JJEDRN CC[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](CC)CN1C(=O)OCc1ccccc1 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456.077 4.591 20 30 JJEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001459680547 1067381904 /nfs/dbraw/zinc/38/19/04/1067381904.db2.gz IKEJGHCTBJWVHE-UHFFFAOYSA-N 0 0 457.370 4.778 20 30 JJEDRN COc1ccccc1CN(Cc1ccc(C#N)cc1OC(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001459695040 1067386167 /nfs/dbraw/zinc/38/61/67/1067386167.db2.gz DMKLGXLYXPLQIH-UHFFFAOYSA-N 0 0 450.445 4.957 20 30 JJEDRN COC(=O)c1cccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1C#N ZINC001459697801 1067387297 /nfs/dbraw/zinc/38/72/97/1067387297.db2.gz YRYHGDZRKWEQBF-UHFFFAOYSA-N 0 0 456.542 4.719 20 30 JJEDRN Cc1nc2c(s1)[C@@H](N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CCC2 ZINC001459707254 1067389718 /nfs/dbraw/zinc/38/97/18/1067389718.db2.gz IFSJLNXYPCHFPA-NRFANRHFSA-N 0 0 451.571 4.818 20 30 JJEDRN C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C)cc2Sc2ccc(Cl)cc2)n1 ZINC001459758107 1067409821 /nfs/dbraw/zinc/40/98/21/1067409821.db2.gz LQZHUUSCBHPVDK-UHFFFAOYSA-N 0 0 453.995 4.918 20 30 JJEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCc3c(F)cc(F)cc3[C@@H]2C)c1C#N ZINC001459761440 1067411835 /nfs/dbraw/zinc/41/18/35/1067411835.db2.gz CVTYIFATZXIJDS-INIZCTEOSA-N 0 0 452.480 4.941 20 30 JJEDRN CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)C1 ZINC001546112049 1067433880 /nfs/dbraw/zinc/43/38/80/1067433880.db2.gz ARGZZFWHNABWTC-UHFFFAOYSA-N 0 0 453.534 4.998 20 30 JJEDRN COC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC001459838421 1067447575 /nfs/dbraw/zinc/44/75/75/1067447575.db2.gz XWUUJMLXXOLICV-KXBFYZLASA-N 0 0 451.514 4.873 20 30 JJEDRN CCOc1cccc(-c2cccc(NC(=O)COc3ccc(C#N)c(Br)c3)n2)c1 ZINC001459860910 1067461431 /nfs/dbraw/zinc/46/14/31/1067461431.db2.gz YPYLTSYZMOMOJY-UHFFFAOYSA-N 0 0 452.308 4.799 20 30 JJEDRN CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894772 1067477264 /nfs/dbraw/zinc/47/72/64/1067477264.db2.gz XTGDHWAOPZMGPG-QZNHQXDQSA-N 0 0 456.631 4.564 20 30 JJEDRN Cc1cc(I)cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 ZINC001459900158 1067479770 /nfs/dbraw/zinc/47/97/70/1067479770.db2.gz IFQLWFLHTITXAZ-UHFFFAOYSA-N 0 0 455.255 4.911 20 30 JJEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC001459930967 1067496364 /nfs/dbraw/zinc/49/63/64/1067496364.db2.gz ICAIXKNHRCEGGZ-FQEVSTJZSA-N 0 0 455.331 4.626 20 30 JJEDRN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001459935315 1067498469 /nfs/dbraw/zinc/49/84/69/1067498469.db2.gz PIPKZDQWPFJCQS-RXFWQSSRSA-N 0 0 458.537 4.827 20 30 JJEDRN COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)c2)c1 ZINC001459945096 1067501920 /nfs/dbraw/zinc/50/19/20/1067501920.db2.gz FPEBLBLMPUBXOI-SANMLTNESA-N 0 0 457.530 4.653 20 30 JJEDRN CN(CCc1ccccc1C(=O)Nc1ccc(C#N)c(Br)c1)C(=O)OC(C)(C)C ZINC001459969750 1067510430 /nfs/dbraw/zinc/51/04/30/1067510430.db2.gz UPDUJZGGWKHCHD-UHFFFAOYSA-N 0 0 458.356 4.982 20 30 JJEDRN C=CC[C@]1(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C ZINC001459993866 1067518735 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AQLBZHVFILAPGR-ROKPMTFOSA-N 0 0 453.608 4.518 20 30 JJEDRN CN(C(=O)CN1CCC(Nc2ccccc2C#N)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001460546869 1067654225 /nfs/dbraw/zinc/65/42/25/1067654225.db2.gz QYICZXRNYKCJLK-MUUNZHRXSA-N 0 0 456.565 4.822 20 30 JJEDRN C[C@@H]1CCc2sc(NC(=O)[C@H]3C[C@@H](F)CN3C(=O)OCc3ccccc3)c(C#N)c2[C@H]1C ZINC001460566212 1067657204 /nfs/dbraw/zinc/65/72/04/1067657204.db2.gz DBHFBSHXASFCLE-LORHWOILSA-N 0 0 455.555 4.993 20 30 JJEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001460572728 1067658571 /nfs/dbraw/zinc/65/85/71/1067658571.db2.gz GLDUPFFDEMXLTR-KBXCAEBGSA-N 0 0 452.407 4.897 20 30 JJEDRN C#CC[C@@]1(C(=O)Nc2nc3ccc(N(CC)CC)cc3s2)CCCN1C(=O)OC(C)(C)C ZINC001460671453 1067695056 /nfs/dbraw/zinc/69/50/56/1067695056.db2.gz DPXJCWCGLBIBPB-DEOSSOPVSA-N 0 0 456.612 4.874 20 30 JJEDRN C=C(CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1 ZINC001460679827 1067699093 /nfs/dbraw/zinc/69/90/93/1067699093.db2.gz GDHKKNABBBDUFM-UHFFFAOYSA-N 0 0 452.963 4.535 20 30 JJEDRN NC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OCC(F)F)c1 ZINC001460686356 1067701398 /nfs/dbraw/zinc/70/13/98/1067701398.db2.gz FAFIGDDSPPSALE-UHFFFAOYSA-N 0 0 456.289 4.719 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC2(F)F)c1 ZINC001460695569 1067703778 /nfs/dbraw/zinc/70/37/78/1067703778.db2.gz KPBSQPIENWEPNX-LJQANCHMSA-N 0 0 454.926 4.639 20 30 JJEDRN CC[C@@H](c1ccc(F)cc1)N1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC001460727023 1067710675 /nfs/dbraw/zinc/71/06/75/1067710675.db2.gz DFSPOZPUSXSJLD-CVDCTZTESA-N 0 0 454.615 4.785 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[C@H]1c1ccc(F)cc1 ZINC001460746280 1067714615 /nfs/dbraw/zinc/71/46/15/1067714615.db2.gz VJBHSVOGGBECOR-XZOQPEGZSA-N 0 0 463.553 4.638 20 30 JJEDRN Cc1cc(Br)c2c(c1)CCCN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001460760705 1067718566 /nfs/dbraw/zinc/71/85/66/1067718566.db2.gz KHLAMIJGHPPDQS-QGZVFWFLSA-N 0 0 450.377 4.624 20 30 JJEDRN C#C[C@@H](NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)c1ccc(Br)cc1 ZINC001460787247 1067723720 /nfs/dbraw/zinc/72/37/20/1067723720.db2.gz PQISFYWQZIEWNE-HXUWFJFHSA-N 0 0 453.336 4.506 20 30 JJEDRN FC1(F)[C@@H]2CN(Cc3ccn(CCc4ccccc4)n3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC001460880460 1067741377 /nfs/dbraw/zinc/74/13/77/1067741377.db2.gz ZXUYXZKWQZQFHW-HZPDHXFCSA-N 0 0 453.377 4.729 20 30 JJEDRN O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001460916965 1067747809 /nfs/dbraw/zinc/74/78/09/1067747809.db2.gz SXMWLXHKGJSSCQ-XFBWCDHKSA-N 0 0 466.309 4.636 20 30 JJEDRN COc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1S(C)(=O)=O ZINC001460923642 1067749125 /nfs/dbraw/zinc/74/91/25/1067749125.db2.gz IRUVESDSHOBHIU-UHFFFAOYSA-N 0 0 456.907 4.668 20 30 JJEDRN Cc1c(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)ccc(Br)c1C#N ZINC001461055304 1067771483 /nfs/dbraw/zinc/77/14/83/1067771483.db2.gz FLHONEYKYYKCPE-UHFFFAOYSA-N 0 0 456.321 4.663 20 30 JJEDRN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC001461077606 1067777363 /nfs/dbraw/zinc/77/73/63/1067777363.db2.gz HZBANMDPQVMSNQ-SFHVURJKSA-N 0 0 454.559 4.513 20 30 JJEDRN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001461082733 1067778104 /nfs/dbraw/zinc/77/81/04/1067778104.db2.gz ZOXBETXHUABWRT-CTFRJJSNSA-N 0 0 453.564 4.508 20 30 JJEDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Br)c(C#N)n1 ZINC001461099799 1067782045 /nfs/dbraw/zinc/78/20/45/1067782045.db2.gz KIATYWNRHBEWLB-QGZVFWFLSA-N 0 0 457.328 4.536 20 30 JJEDRN C[C@H](OCc1ccc(F)cc1)C(=O)Oc1c(Br)cc(C#N)cc1Br ZINC001461149660 1067789439 /nfs/dbraw/zinc/78/94/39/1067789439.db2.gz NKIHBAKKOGPLNA-JTQLQIEISA-N 0 0 457.093 4.733 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)NCc1ccc(COc2cccc(F)c2)cc1 ZINC001461163917 1067791695 /nfs/dbraw/zinc/79/16/95/1067791695.db2.gz ZGSFXMQQEUBCTF-UHFFFAOYSA-N 0 0 453.311 4.898 20 30 JJEDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC#N)c2ccc(Cl)cc2)cc1 ZINC001461168864 1067792063 /nfs/dbraw/zinc/79/20/63/1067792063.db2.gz UFSCCDUZTUDPQC-UHFFFAOYSA-N 0 0 453.951 4.726 20 30 JJEDRN COc1cc(OC)cc(Oc2ccc(CNc3ccc(N4CCC(O)CC4)c(C#N)c3)cc2)c1 ZINC001461259146 1067812344 /nfs/dbraw/zinc/81/23/44/1067812344.db2.gz KFDOKDKNMLCCOZ-UHFFFAOYSA-N 0 0 459.546 4.941 20 30 JJEDRN Cc1ccc(N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)cc1Br ZINC001461298933 1067822157 /nfs/dbraw/zinc/82/21/57/1067822157.db2.gz XQLHBYHFVRPKCL-UHFFFAOYSA-N 0 0 454.372 4.663 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCCC(C)(C)F)ccc1Cl ZINC001461426140 1067853552 /nfs/dbraw/zinc/85/35/52/1067853552.db2.gz UPQUTYNQDRATEA-UHFFFAOYSA-N 0 0 456.942 4.728 20 30 JJEDRN N#Cc1ccc(N2CCC[C@@H](NCc3cc(C(F)(F)F)ccc3Br)C2=O)cc1 ZINC001461436025 1067856384 /nfs/dbraw/zinc/85/63/84/1067856384.db2.gz ZSGIBZWKNYBSJL-GOSISDBHSA-N 0 0 452.274 4.625 20 30 JJEDRN C=CC[C@@]1(C(=O)N2CCc3sc(Br)cc3C2)CCCN1C(=O)OC(C)(C)C ZINC001461600423 1067898942 /nfs/dbraw/zinc/89/89/42/1067898942.db2.gz KXWZWZIQMLJOIC-FQEVSTJZSA-N 0 0 455.418 4.741 20 30 JJEDRN Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)nn1-c1cccc(C#N)c1 ZINC001461652515 1067910357 /nfs/dbraw/zinc/91/03/57/1067910357.db2.gz RJIMDYSCACEZOX-WZONZLPQSA-N 0 0 465.598 4.598 20 30 JJEDRN Cc1cccc(F)c1-n1nc(C(=O)Oc2c(F)cc(C#N)cc2Br)c2c1CCC2 ZINC001461778080 1067935625 /nfs/dbraw/zinc/93/56/25/1067935625.db2.gz UIJSSRSMDBFSHR-UHFFFAOYSA-N 0 0 458.262 4.801 20 30 JJEDRN C=CC(C)(C)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC001461783356 1067936538 /nfs/dbraw/zinc/93/65/38/1067936538.db2.gz DHQZGWLKMUHCLC-ZCYQVOJMSA-N 0 0 450.579 4.907 20 30 JJEDRN Fc1cccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1I ZINC001461881656 1067953773 /nfs/dbraw/zinc/95/37/73/1067953773.db2.gz BEBDLKUSRPRIJL-NXEZZACHSA-N 0 0 455.155 4.993 20 30 JJEDRN N#Cc1ccc2[nH]c(NC(=O)CCc3cc(Br)c(Br)s3)nc2c1 ZINC001461919345 1067961027 /nfs/dbraw/zinc/96/10/27/1067961027.db2.gz HVMZIXKOIHWBGJ-UHFFFAOYSA-N 0 0 454.147 4.592 20 30 JJEDRN C#CCN(Cc1c(O)cccc1Br)[C@H]1CCOc2ccc(Br)cc21 ZINC001461987091 1067975507 /nfs/dbraw/zinc/97/55/07/1067975507.db2.gz OPJKEPTXTYSKFE-KRWDZBQOSA-N 0 0 451.158 4.876 20 30 JJEDRN CCN1c2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2OCC(C)(C)C1=O ZINC001462011451 1067980096 /nfs/dbraw/zinc/98/00/96/1067980096.db2.gz RLKSWDVLLKYURX-UHFFFAOYSA-N 0 0 459.502 4.754 20 30 JJEDRN N#C[C@@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)CCN1Cc1ccccc1 ZINC001462026533 1067984103 /nfs/dbraw/zinc/98/41/03/1067984103.db2.gz DIDQWYSCADFPNB-JOCHJYFZSA-N 0 0 453.428 4.649 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)NCc2cc(Cl)cc(Cl)c2F)nnc1-c1ccco1 ZINC001462225754 1068032734 /nfs/dbraw/zinc/03/27/34/1068032734.db2.gz FWZGCAXSJIESRM-UHFFFAOYSA-N 0 0 455.342 4.969 20 30 JJEDRN C#C[C@H](NCc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1)c1ccc(Cl)cc1F ZINC001462225746 1068032777 /nfs/dbraw/zinc/03/27/77/1068032777.db2.gz NNFSINPIHZWZBU-FQEVSTJZSA-N 0 0 457.885 4.910 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001462357612 1068058802 /nfs/dbraw/zinc/05/88/02/1068058802.db2.gz QUPZBZJUDJDZFK-XMMPIXPASA-N 0 0 459.590 4.645 20 30 JJEDRN CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCNC(C)=O)Cc2ccsc2)CCCC1 ZINC001546131326 1068066165 /nfs/dbraw/zinc/06/61/65/1068066165.db2.gz WWPGRWWHPKIYIW-UHFFFAOYSA-N 0 0 476.650 4.991 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(CC)cn2)c1 ZINC001462421524 1068071214 /nfs/dbraw/zinc/07/12/14/1068071214.db2.gz DVJGIRWEQYRSCL-UHFFFAOYSA-N 0 0 455.967 4.931 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)NCc1cc2cc(Br)ccc2o1)c1ccccc1 ZINC001462537187 1068094040 /nfs/dbraw/zinc/09/40/40/1068094040.db2.gz WAWNACMFUSGDTN-UHFFFAOYSA-N 0 0 454.324 4.539 20 30 JJEDRN C[C@]1(C(F)(F)F)CCN(C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 ZINC001462604480 1068110176 /nfs/dbraw/zinc/11/01/76/1068110176.db2.gz JAPTZZKMAITSAE-AWEZNQCLSA-N 0 0 453.301 4.983 20 30 JJEDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC(F)(F)c1ccc(F)cc1F ZINC001462619790 1068113829 /nfs/dbraw/zinc/11/38/29/1068113829.db2.gz NODQGYHQEXARIS-UHFFFAOYSA-N 0 0 453.314 4.602 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)NCC3(c4ccc(Br)cc4)CC3)CC2)c(F)c1 ZINC001462633825 1068119643 /nfs/dbraw/zinc/11/96/43/1068119643.db2.gz OAMSTIMYUBTMHO-UHFFFAOYSA-N 0 0 456.359 4.524 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(F)cc2C(F)(F)F)(C(F)(F)F)CC1 ZINC001462650881 1068124418 /nfs/dbraw/zinc/12/44/18/1068124418.db2.gz XNEPOQBXNNGOPQ-UHFFFAOYSA-N 0 0 458.374 4.906 20 30 JJEDRN C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC001462751067 1068155127 /nfs/dbraw/zinc/15/51/27/1068155127.db2.gz FCWHDBKRTZXUCP-MRXNPFEDSA-N 0 0 455.377 4.820 20 30 JJEDRN CCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462757159 1068157670 /nfs/dbraw/zinc/15/76/70/1068157670.db2.gz LJFHZVOAUFJPRG-SFHVURJKSA-N 0 0 453.514 4.961 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC001462813238 1068174592 /nfs/dbraw/zinc/17/45/92/1068174592.db2.gz KJWOAZIGIZEQTK-UHFFFAOYSA-N 0 0 458.518 4.809 20 30 JJEDRN C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462834359 1068183809 /nfs/dbraw/zinc/18/38/09/1068183809.db2.gz SWHPZYDCQDLCII-OAHLLOKOSA-N 0 0 454.939 4.895 20 30 JJEDRN C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462835334 1068184497 /nfs/dbraw/zinc/18/44/97/1068184497.db2.gz WPPLMXRMWPTLCX-HNNXBMFYSA-N 0 0 454.939 4.895 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC(C)(C)/C=C\Cl)c1 ZINC001462860940 1068193968 /nfs/dbraw/zinc/19/39/68/1068193968.db2.gz FTJNRKDZXJTQEA-SEYXRHQNSA-N 0 0 453.391 4.982 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC(C)(C)/C=C/Cl)c1 ZINC001462860938 1068193978 /nfs/dbraw/zinc/19/39/78/1068193978.db2.gz FTJNRKDZXJTQEA-OUKQBFOZSA-N 0 0 453.391 4.982 20 30 JJEDRN Cc1cccc(Oc2ccc(C(=O)Nc3ccc(C#N)cc3I)nc2)c1 ZINC001462862316 1068194291 /nfs/dbraw/zinc/19/42/91/1068194291.db2.gz IDPYKZSVCUKKHZ-UHFFFAOYSA-N 0 0 455.255 4.911 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001462887161 1068203300 /nfs/dbraw/zinc/20/33/00/1068203300.db2.gz KRBQHARBXWIBBP-TXEJJXNPSA-N 0 0 456.433 4.833 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC001462887165 1068203314 /nfs/dbraw/zinc/20/33/14/1068203314.db2.gz KRBQHARBXWIBBP-VXGBXAGGSA-N 0 0 456.433 4.833 20 30 JJEDRN COc1ncc(NC(=O)c2cccnc2SCc2cccc(Br)c2)cc1C#N ZINC001462895803 1068206611 /nfs/dbraw/zinc/20/66/11/1068206611.db2.gz NOIVJJATCKPAJZ-UHFFFAOYSA-N 0 0 455.337 4.664 20 30 JJEDRN CCCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)c1snc(C)c1C#N ZINC001462905130 1068210339 /nfs/dbraw/zinc/21/03/39/1068210339.db2.gz FWGKWDGXJWPEOD-UHFFFAOYSA-N 0 0 458.543 4.797 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1Br ZINC001462958338 1068229523 /nfs/dbraw/zinc/22/95/23/1068229523.db2.gz FBLXUFNGEQWAGD-LJQANCHMSA-N 0 0 455.324 4.809 20 30 JJEDRN C#CCN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C1CC[NH+](C)CC1 ZINC001462998251 1068243725 /nfs/dbraw/zinc/24/37/25/1068243725.db2.gz NMRIOKUEKBKFKY-UHFFFAOYSA-N 0 0 459.377 4.807 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2F)ccc1Br ZINC001463037400 1068259419 /nfs/dbraw/zinc/25/94/19/1068259419.db2.gz WUSDQXUSCANOCN-UHFFFAOYSA-N 0 0 459.340 4.851 20 30 JJEDRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001463064585 1068272797 /nfs/dbraw/zinc/27/27/97/1068272797.db2.gz YWOSGDGXEUVHNR-VWLOTQADSA-N 0 0 456.542 4.820 20 30 JJEDRN CN(Cc1cc(C#N)cs1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001463075312 1068278434 /nfs/dbraw/zinc/27/84/34/1068278434.db2.gz GAZOIEIGTNXOJK-QGZVFWFLSA-N 0 0 453.486 4.863 20 30 JJEDRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NS(=O)(=O)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001463076198 1068278876 /nfs/dbraw/zinc/27/88/76/1068278876.db2.gz RJQVUBFGWUKRAR-DQEYMECFSA-N 0 0 456.608 4.774 20 30 JJEDRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NS(=O)(=O)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001463076203 1068278911 /nfs/dbraw/zinc/27/89/11/1068278911.db2.gz RJQVUBFGWUKRAR-LOSJGSFVSA-N 0 0 456.608 4.774 20 30 JJEDRN CC(C)(C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)c1csc(-c2c(F)cccc2F)n1 ZINC001463097685 1068285276 /nfs/dbraw/zinc/28/52/76/1068285276.db2.gz JTJBQARGKFSFME-LJQANCHMSA-N 0 0 453.514 4.838 20 30 JJEDRN C=CCOc1ccccc1CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001463100045 1068286950 /nfs/dbraw/zinc/28/69/50/1068286950.db2.gz VDYVVWUFWUTWBW-UHFFFAOYSA-N 0 0 451.169 4.799 20 30 JJEDRN O=S(=O)(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001463113038 1068291654 /nfs/dbraw/zinc/29/16/54/1068291654.db2.gz VSVDWIWEAIHKIF-IHRRRGAJSA-N 0 0 454.816 4.660 20 30 JJEDRN COc1ccc2c(CC(=O)N3C[C@H]4[C@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)coc2c1 ZINC001463151636 1068304751 /nfs/dbraw/zinc/30/47/51/1068304751.db2.gz YBWHCNWQHJAJCH-STQMWFEESA-N 0 0 457.317 4.613 20 30 JJEDRN Cn1ccc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1-c1ccccc1 ZINC001463153236 1068305435 /nfs/dbraw/zinc/30/54/35/1068305435.db2.gz DKZRGAQPOKUOBH-ZIAGYGMSSA-N 0 0 452.345 4.935 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c(F)c1 ZINC001463191610 1068315639 /nfs/dbraw/zinc/31/56/39/1068315639.db2.gz DMUYSHMKRHNDKN-UHFFFAOYSA-N 0 0 450.413 4.987 20 30 JJEDRN CCc1ccc([C@H]2C[C@@H](C)CCN2S(=O)(=O)c2cc(Br)c(C#N)cc2F)o1 ZINC001463203945 1068319297 /nfs/dbraw/zinc/31/92/97/1068319297.db2.gz YKUNATGDCULDSP-YVEFUNNKSA-N 0 0 455.349 4.777 20 30 JJEDRN CC[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1F)Oc1cccc(C(F)(F)F)c1 ZINC001463262288 1068337793 /nfs/dbraw/zinc/33/77/93/1068337793.db2.gz IRWNMLVTJLFFFM-ZDUSSCGKSA-N 0 0 459.383 4.999 20 30 JJEDRN Cn1ccnc1[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(F)cc1F ZINC001463275269 1068341417 /nfs/dbraw/zinc/34/14/17/1068341417.db2.gz KIKVZBWAHWWMQQ-DEOSSOPVSA-N 0 0 458.468 4.668 20 30 JJEDRN C=CC[S@@](=O)(=NC(=O)c1ccc(Cn2cc(Br)cn2)s1)c1ccccc1 ZINC001463278982 1068342609 /nfs/dbraw/zinc/34/26/09/1068342609.db2.gz YLXBOQVFQIZESF-SANMLTNESA-N 0 0 450.383 4.609 20 30 JJEDRN Cc1cc(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC001546137853 1068346937 /nfs/dbraw/zinc/34/69/37/1068346937.db2.gz HBFRQALQWPUOIX-UHFFFAOYSA-N 0 0 450.583 4.733 20 30 JJEDRN Cc1sc2ncnc(SCC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)c2c1C ZINC001546138060 1068352472 /nfs/dbraw/zinc/35/24/72/1068352472.db2.gz NLEBJRWGVUMOBO-UHFFFAOYSA-N 0 0 454.968 4.750 20 30 JJEDRN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC=CC[C@H]2C)c1 ZINC001463357700 1068370173 /nfs/dbraw/zinc/37/01/73/1068370173.db2.gz QTVCMQCATDSQHQ-UZUQRXQVSA-N 0 0 475.010 4.814 20 30 JJEDRN C=CCC[C@H](NS(=O)(=O)c1cccc(C(=O)NCC=C)c1)c1ccc(C(F)(F)F)cc1 ZINC001463379837 1068378310 /nfs/dbraw/zinc/37/83/10/1068378310.db2.gz RXZGIEGFMRUFQR-FQEVSTJZSA-N 0 0 452.498 4.607 20 30 JJEDRN N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1 ZINC001463390021 1068381930 /nfs/dbraw/zinc/38/19/30/1068381930.db2.gz GOZKKWXXIIQJEQ-UHFFFAOYSA-N 0 0 459.287 4.693 20 30 JJEDRN Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001463486570 1068416389 /nfs/dbraw/zinc/41/63/89/1068416389.db2.gz WVJYDGDETCWBIV-HNNXBMFYSA-N 0 0 454.367 4.997 20 30 JJEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2)cc1 ZINC001463539892 1068434652 /nfs/dbraw/zinc/43/46/52/1068434652.db2.gz WZXHABQQCGOKIT-UHFFFAOYSA-N 0 0 458.493 4.674 20 30 JJEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1cc(F)c(Cl)cc1Br ZINC001463584816 1068456796 /nfs/dbraw/zinc/45/67/96/1068456796.db2.gz REJVUWIEDBAMBD-UHFFFAOYSA-N 0 0 458.614 4.900 20 30 JJEDRN COc1cc(NC(=O)C(F)(F)c2ccccc2C#N)c(OC)cc1NC(=O)c1ccccc1 ZINC001463610067 1068465399 /nfs/dbraw/zinc/46/53/99/1068465399.db2.gz IOZGCVYUIRIJDG-UHFFFAOYSA-N 0 0 451.429 4.558 20 30 JJEDRN C=CC[C@@H]1N(S(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)CCCC1(C)C ZINC001463624943 1068471511 /nfs/dbraw/zinc/47/15/11/1068471511.db2.gz IEYKIXCDKGVYBK-SFHVURJKSA-N 0 0 458.418 4.690 20 30 JJEDRN C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC001463631502 1068475595 /nfs/dbraw/zinc/47/55/95/1068475595.db2.gz GXETUQYZKYVQRK-PMACEKPBSA-N 0 0 454.571 4.611 20 30 JJEDRN COc1ccccc1-c1csc(C2CCN(S(=O)(=O)c3c(C)cccc3C#N)CC2)n1 ZINC001463648465 1068480056 /nfs/dbraw/zinc/48/00/56/1068480056.db2.gz ABRLIZZTDGGWCO-UHFFFAOYSA-N 0 0 453.589 4.567 20 30 JJEDRN N#Cc1cc(S(=O)(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)ccc1C(F)(F)F ZINC001463687425 1068493660 /nfs/dbraw/zinc/49/36/60/1068493660.db2.gz CFKIQVJGDRZUFZ-LJQANCHMSA-N 0 0 458.889 4.677 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)ccc1Br ZINC001463687308 1068494256 /nfs/dbraw/zinc/49/42/56/1068494256.db2.gz YWLIXLIIDBJSMZ-LJQANCHMSA-N 0 0 455.324 4.571 20 30 JJEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC001463699609 1068498574 /nfs/dbraw/zinc/49/85/74/1068498574.db2.gz PUZRWGQNLGJUFO-IBGZPJMESA-N 0 0 458.889 4.677 20 30 JJEDRN N#Cc1ccc(OCC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1Br ZINC001463745234 1068510714 /nfs/dbraw/zinc/51/07/14/1068510714.db2.gz QSXZQJRCNBLDSW-UHFFFAOYSA-N 0 0 457.305 4.619 20 30 JJEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC001463793557 1068526369 /nfs/dbraw/zinc/52/63/69/1068526369.db2.gz GLRLPNYZIYBVPG-HXUWFJFHSA-N 0 0 456.493 4.852 20 30 JJEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 ZINC001463794398 1068526958 /nfs/dbraw/zinc/52/69/58/1068526958.db2.gz JVBLQMGZGADVMZ-JOCHJYFZSA-N 0 0 450.901 4.689 20 30 JJEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC001463797966 1068527907 /nfs/dbraw/zinc/52/79/07/1068527907.db2.gz TZCFBTMDVCAAAN-FQEVSTJZSA-N 0 0 454.393 4.615 20 30 JJEDRN C[C@@H](C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001463797215 1068528005 /nfs/dbraw/zinc/52/80/05/1068528005.db2.gz SIKNDWZOXYOFIF-FQRUVTKNSA-N 0 0 455.533 4.569 20 30 JJEDRN C[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001463797225 1068528133 /nfs/dbraw/zinc/52/81/33/1068528133.db2.gz SIKNDWZOXYOFIF-RXFWQSSRSA-N 0 0 455.533 4.569 20 30 JJEDRN Cc1cc(C(C)(C)C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)ccc1Br ZINC001463797713 1068528140 /nfs/dbraw/zinc/52/81/40/1068528140.db2.gz SVZCDVNPLHTNGB-NRFANRHFSA-N 0 0 458.375 4.583 20 30 JJEDRN N#Cc1c(F)cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1F ZINC001463799743 1068529253 /nfs/dbraw/zinc/52/92/53/1068529253.db2.gz HUAGHGITAWLFRE-UHFFFAOYSA-N 0 0 453.439 4.662 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC001463831008 1068539894 /nfs/dbraw/zinc/53/98/94/1068539894.db2.gz FZGMHSCIYUXDOL-HXUWFJFHSA-N 0 0 459.468 4.728 20 30 JJEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC001463907776 1068561593 /nfs/dbraw/zinc/56/15/93/1068561593.db2.gz HLRJPIJWQGLCNP-UHFFFAOYSA-N 0 0 459.502 4.607 20 30 JJEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001463923409 1068566671 /nfs/dbraw/zinc/56/66/71/1068566671.db2.gz QKISXJVQGNCCKK-UHFFFAOYSA-N 0 0 456.568 4.601 20 30 JJEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)cc1 ZINC001463924420 1068566758 /nfs/dbraw/zinc/56/67/58/1068566758.db2.gz XMNWBLRJWAEOHW-UHFFFAOYSA-N 0 0 453.905 4.713 20 30 JJEDRN N#C[C@@H](NC(=O)c1cc2c(ccc(Br)c2F)[nH]1)c1ccc(Br)cc1 ZINC001464014897 1068589447 /nfs/dbraw/zinc/58/94/47/1068589447.db2.gz QUESUNNNFVAWMO-OAHLLOKOSA-N 0 0 451.093 4.827 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)s1 ZINC001464016590 1068589797 /nfs/dbraw/zinc/58/97/97/1068589797.db2.gz UZDWXLLZHXBTCP-CQSZACIVSA-N 0 0 456.818 4.982 20 30 JJEDRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1=O ZINC001464019777 1068591032 /nfs/dbraw/zinc/59/10/32/1068591032.db2.gz RXHIZYAUHJHEPF-XAUMDUMWSA-N 0 0 454.368 4.697 20 30 JJEDRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1ccc(CCC#N)cc1 ZINC001464034898 1068595062 /nfs/dbraw/zinc/59/50/62/1068595062.db2.gz OCXAKAYGZSKSJI-OAQYLSRUSA-N 0 0 452.498 4.827 20 30 JJEDRN CN(CCC(=O)N(C)Cc1cccc(C#N)c1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464074138 1068606469 /nfs/dbraw/zinc/60/64/69/1068606469.db2.gz OCYOOXCLBVFKNQ-UHFFFAOYSA-N 0 0 453.542 4.788 20 30 JJEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1C ZINC001464127003 1068624914 /nfs/dbraw/zinc/62/49/14/1068624914.db2.gz AXLNOHFYUFUREL-YJBOKZPZSA-N 0 0 453.571 4.591 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)ccc1Cl ZINC001464140468 1068631859 /nfs/dbraw/zinc/63/18/59/1068631859.db2.gz FDHPBBYEWRNXAZ-HNNXBMFYSA-N 0 0 457.802 4.529 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)Cc1ccc(Br)cc1F ZINC001464196543 1068652242 /nfs/dbraw/zinc/65/22/42/1068652242.db2.gz XFJCNSOCALUOBI-UHFFFAOYSA-N 0 0 453.358 4.804 20 30 JJEDRN C=C[C@H](CC(=O)Nc1ccc(CS(=O)(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 ZINC001464242763 1068672665 /nfs/dbraw/zinc/67/26/65/1068672665.db2.gz SJTYIALMSWCCIM-HXUWFJFHSA-N 0 0 450.560 4.936 20 30 JJEDRN CC(C)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c(O)c(C(C)C)c1 ZINC001464260675 1068679297 /nfs/dbraw/zinc/67/92/97/1068679297.db2.gz OEVRUTLMGKWXAW-ROMGYVFFSA-N 0 0 457.596 4.704 20 30 JJEDRN C[C@@H](Oc1ccc(C=O)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC001464298799 1068696960 /nfs/dbraw/zinc/69/69/60/1068696960.db2.gz WFDPSCWTIUHTED-CYBMUJFWSA-N 0 0 459.449 4.843 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(F)ccc3NC(=O)OC(C)(C)C)n[nH]2)c1C ZINC001464314185 1068701563 /nfs/dbraw/zinc/70/15/63/1068701563.db2.gz SYLPMUNOJDYOMM-UHFFFAOYSA-N 0 0 454.506 4.814 20 30 JJEDRN CC(C)(C)OC(=O)C1(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCCCC1 ZINC001464400072 1068733096 /nfs/dbraw/zinc/73/30/96/1068733096.db2.gz OEQWOWSYFRBKDK-UHFFFAOYSA-N 0 0 458.609 4.933 20 30 JJEDRN COc1ccc(C2(CNC(=O)COc3ccc(C#N)c(Br)c3)CCCCC2)cc1 ZINC001464433175 1068743205 /nfs/dbraw/zinc/74/32/05/1068743205.db2.gz ZHUNIGQLOKUYTH-UHFFFAOYSA-N 0 0 457.368 4.726 20 30 JJEDRN COc1ccc(C#N)cc1NC(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464540037 1068776342 /nfs/dbraw/zinc/77/63/42/1068776342.db2.gz 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COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001165022269 721838257 /nfs/dbraw/zinc/83/82/57/721838257.db2.gz QSMSEWGXFORRSJ-UHFFFAOYSA-N 0 0 485.362 4.923 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164936534 721898359 /nfs/dbraw/zinc/89/83/59/721898359.db2.gz ZEPTXMIFDUXBRY-JOCHJYFZSA-N 0 0 488.325 4.940 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC001164930089 721899344 /nfs/dbraw/zinc/89/93/44/721899344.db2.gz ZOMWCEHILWNGIO-UHFFFAOYSA-N 0 0 468.935 4.709 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)C[C@H]21 ZINC001164944956 721963137 /nfs/dbraw/zinc/96/31/37/721963137.db2.gz KTJVMOVGHPYWSG-VSGBNLITSA-N 0 0 491.595 4.982 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4C(=O)c3cscn3)cnc2Cl)cc1 ZINC001164966384 722066015 /nfs/dbraw/zinc/06/60/15/722066015.db2.gz RTVVLMJCHGUFTK-WOJBJXKFSA-N 0 0 485.947 4.768 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[C@@H](C(=O)NC5CCC5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164972743 722086277 /nfs/dbraw/zinc/08/62/77/722086277.db2.gz MODQLAOBACARLM-REPLKXPHSA-N 0 0 470.951 4.950 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001164977606 722091170 /nfs/dbraw/zinc/09/11/70/722091170.db2.gz VABAWFYKXKSYGR-AWEZNQCLSA-N 0 0 457.352 4.718 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001164973170 722161262 /nfs/dbraw/zinc/16/12/62/722161262.db2.gz LNAVUYIPMOLOAN-UHFFFAOYSA-N 0 0 456.924 4.836 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@@]12CN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)CCO2 ZINC001164973745 722169355 /nfs/dbraw/zinc/16/93/55/722169355.db2.gz CRKJYFBUZOTRCC-CCLHPLFOSA-N 0 0 482.694 4.744 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CCO2 ZINC001164974566 722169968 /nfs/dbraw/zinc/16/99/68/722169968.db2.gz GBWPDIVRIWQPMD-KSFYIVLOSA-N 0 0 494.926 4.828 20 30 JJEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)CCO2 ZINC001164978685 722170040 /nfs/dbraw/zinc/17/00/40/722170040.db2.gz RQSNOSBRAWXSHU-WZONZLPQSA-N 0 0 479.955 4.929 20 30 JJEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4c(C#N)c(Cl)nc5cccc(C)c54)CC[C@H]32)cs1 ZINC001164991484 722186808 /nfs/dbraw/zinc/18/68/08/722186808.db2.gz PFZMWLRBDYPHFU-NHCUHLMSSA-N 0 0 468.026 4.703 20 30 JJEDRN Cc1nc(CN2CCO[C@H]3CCN(c4c(C#N)c(Cl)nc5ccc(F)c(C)c54)CC[C@H]32)cs1 ZINC001164993358 722186842 /nfs/dbraw/zinc/18/68/42/722186842.db2.gz YXJFOOVWADTVQJ-RTWAWAEBSA-N 0 0 486.016 4.842 20 30 JJEDRN CC(=O)N1CC2(CCN(C(F)(F)c3nc(Cl)c(C#N)c(C(F)(F)F)n3)CC2)c2cc(C)ccc21 ZINC001164989888 722189850 /nfs/dbraw/zinc/18/98/50/722189850.db2.gz RJPFICSWTHPXOZ-UHFFFAOYSA-N 0 0 499.871 4.779 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001164999432 722221266 /nfs/dbraw/zinc/22/12/66/722221266.db2.gz QZKXJJSQQQVLPE-NRFANRHFSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)C2)c1 ZINC001165003561 722258480 /nfs/dbraw/zinc/25/84/80/722258480.db2.gz IEIDVAZQGXARMW-DEOSSOPVSA-N 0 0 483.950 4.823 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)C2)c1 ZINC001165005050 722259149 /nfs/dbraw/zinc/25/91/49/722259149.db2.gz UIWZWVOYSVAFPM-QHCPKHFHSA-N 0 0 473.955 4.547 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCC(F)(F)F ZINC001545859110 1064267596 /nfs/dbraw/zinc/26/75/96/1064267596.db2.gz FFPAHTWBWUZTKT-UHFFFAOYSA-N 0 0 474.531 4.704 20 30 JJEDRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CCOCC2)C1 ZINC001359729821 1064280917 /nfs/dbraw/zinc/28/09/17/1064280917.db2.gz HWKXHBTWCRDUAV-XMMPIXPASA-N 0 0 451.615 4.522 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001545874020 1064289778 /nfs/dbraw/zinc/28/97/78/1064289778.db2.gz GOQJVKPRNIZWKP-UHFFFAOYSA-N 0 0 480.657 4.690 20 30 JJEDRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359734326 1064293173 /nfs/dbraw/zinc/29/31/73/1064293173.db2.gz QVIVPELPQAROBA-FQEVSTJZSA-N 0 0 452.603 4.745 20 30 JJEDRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359734485 1064294041 /nfs/dbraw/zinc/29/40/41/1064294041.db2.gz UNEVCHJDOXVTIJ-MRXNPFEDSA-N 0 0 477.922 4.896 20 30 JJEDRN CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359738437 1064302549 /nfs/dbraw/zinc/30/25/49/1064302549.db2.gz UTOAZLGZCMTCOV-GGAORHGYSA-N 0 0 494.640 4.753 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CCS1 ZINC001359747977 1064331923 /nfs/dbraw/zinc/33/19/23/1064331923.db2.gz MGJGWRYCYVCVTO-RJGXRXQPSA-N 0 0 453.656 4.846 20 30 JJEDRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001434915320 1064342020 /nfs/dbraw/zinc/34/20/20/1064342020.db2.gz JYIOZXVGTIJGBA-RUZDIDTESA-N 0 0 456.477 4.657 20 30 JJEDRN COc1ccc(COCc2cccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)c2)cc1 ZINC001434917094 1064344210 /nfs/dbraw/zinc/34/42/10/1064344210.db2.gz SLBNRGYUKBJDNL-QFIPXVFZSA-N 0 0 459.521 4.888 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)CCO1 ZINC001359754732 1064345642 /nfs/dbraw/zinc/34/56/42/1064345642.db2.gz KXYOVWKVOLUCEO-UNMCSNQZSA-N 0 0 473.568 4.806 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1ccccc1 ZINC001434919199 1064346690 /nfs/dbraw/zinc/34/66/90/1064346690.db2.gz JSJJPQOJYRNINL-UHFFFAOYSA-N 0 0 453.502 4.798 20 30 JJEDRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001359756279 1064353433 /nfs/dbraw/zinc/35/34/33/1064353433.db2.gz OLPVFUPGUAKGNB-XERREHJYSA-N 0 0 478.460 4.960 20 30 JJEDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)COc1cccc(Br)c1C#N ZINC001434944135 1064365059 /nfs/dbraw/zinc/36/50/59/1064365059.db2.gz HIHMDMDRPNZXKA-UHFFFAOYSA-N 0 0 455.337 4.588 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 ZINC001359760705 1064369388 /nfs/dbraw/zinc/36/93/88/1064369388.db2.gz YDGBREOURCGQQM-XLIONFOSSA-N 0 0 489.462 4.627 20 30 JJEDRN O=C(Nc1cnn(C(F)F)c1)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001434949944 1064370480 /nfs/dbraw/zinc/37/04/80/1064370480.db2.gz IZTUWFBMPGPEFY-UHFFFAOYSA-N 0 0 450.108 4.670 20 30 JJEDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 ZINC001359761154 1064371758 /nfs/dbraw/zinc/37/17/58/1064371758.db2.gz DCWHFHKZESTLFE-VQIMIIECSA-N 0 0 478.460 4.960 20 30 JJEDRN COCCN(CCCc1ccccc1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001434952192 1064373576 /nfs/dbraw/zinc/37/35/76/1064373576.db2.gz FCJYEFVYRINOAR-UHFFFAOYSA-N 0 0 454.014 4.926 20 30 JJEDRN Cc1ccc(-c2ccncc2)cc1NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001434961988 1064377320 /nfs/dbraw/zinc/37/73/20/1064377320.db2.gz LYNXQJREPONRIH-UHFFFAOYSA-N 0 0 452.474 4.995 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N2CCC(Oc3cccc(C#N)c3)CC2)nnc1C(C)(C)C ZINC001359763997 1064381527 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4.799 20 30 JJEDRN C=C(C)COc1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c1 ZINC001435022461 1064440443 /nfs/dbraw/zinc/44/04/43/1064440443.db2.gz CYSGFDOTGFGEHC-UHFFFAOYSA-N 0 0 456.498 4.699 20 30 JJEDRN C=C(C)COc1cccc(NC(=O)c2c(Cl)ccc(S(=O)(=O)CCOC)c2Cl)c1 ZINC001435023311 1064441293 /nfs/dbraw/zinc/44/12/93/1064441293.db2.gz HKDIHMQDGIJMLB-UHFFFAOYSA-N 0 0 458.363 4.621 20 30 JJEDRN CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359795474 1064454632 /nfs/dbraw/zinc/45/46/32/1064454632.db2.gz JGSFLJHACCYFJI-LJQANCHMSA-N 0 0 464.614 4.555 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC001359797424 1064459780 /nfs/dbraw/zinc/45/97/80/1064459780.db2.gz CWCWQPHUEGGWEV-UHFFFAOYSA-N 0 0 456.470 4.694 20 30 JJEDRN Cc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)nn1-c1cccc(C#N)c1 ZINC001435049822 1064467416 /nfs/dbraw/zinc/46/74/16/1064467416.db2.gz UBLSAAJQGAJDRK-UHFFFAOYSA-N 0 0 456.893 4.605 20 30 JJEDRN C#Cc1cccc(N(C)C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(OCC)cc2)c1 ZINC001359803387 1064472923 /nfs/dbraw/zinc/47/29/23/1064472923.db2.gz HHHHKQSEXQMVRA-UHFFFAOYSA-N 0 0 458.543 4.662 20 30 JJEDRN C#Cc1cccc(N(C)C(=O)c2cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc2Cl)c1 ZINC001435056032 1064474646 /nfs/dbraw/zinc/47/46/46/1064474646.db2.gz ZPUCKYSZWZXJLC-CQSZACIVSA-N 0 0 453.391 4.718 20 30 JJEDRN N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001435075570 1064497196 /nfs/dbraw/zinc/49/71/96/1064497196.db2.gz MSLBYHVXUHECTD-UHFFFAOYSA-N 0 0 456.933 4.923 20 30 JJEDRN Cn1cc(Br)c(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1=O ZINC001435076711 1064499792 /nfs/dbraw/zinc/49/97/92/1064499792.db2.gz QCYFSYRKKCIEAP-UHFFFAOYSA-N 0 0 456.727 4.520 20 30 JJEDRN CC(C)Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359830456 1064513190 /nfs/dbraw/zinc/51/31/90/1064513190.db2.gz KCNHBFLVHFOEGU-OFNKIYASSA-N 0 0 480.657 4.721 20 30 JJEDRN N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)cc(N2CCOCC2)c1 ZINC001435107997 1064517943 /nfs/dbraw/zinc/51/79/43/1064517943.db2.gz IEOWXKRHDUHQTF-UHFFFAOYSA-N 0 0 453.461 4.939 20 30 JJEDRN N#Cc1cccc(CC(=O)Oc2ccccc2C(=O)OCc2ccc(Br)cc2)c1 ZINC001359845693 1064531496 /nfs/dbraw/zinc/53/14/96/1064531496.db2.gz ZDAJEEAJAWSICG-UHFFFAOYSA-N 0 0 450.288 4.826 20 30 JJEDRN CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(C)CCCS1 ZINC001359849259 1064535539 /nfs/dbraw/zinc/53/55/39/1064535539.db2.gz IXKBFVMFONYHEY-QHCPKHFHSA-N 0 0 459.063 4.614 20 30 JJEDRN CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(C)(C)c1cccs1 ZINC001359850302 1064536663 /nfs/dbraw/zinc/53/66/63/1064536663.db2.gz RRBHTAPUOMGXAY-UHFFFAOYSA-N 0 0 466.630 4.853 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)ccc1OC ZINC001435132797 1064537144 /nfs/dbraw/zinc/53/71/44/1064537144.db2.gz FFYIMWBUDLTGJZ-HXUWFJFHSA-N 0 0 453.539 4.582 20 30 JJEDRN Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3cccc(OCC#N)c3)[C@@H]2c2cccs2)cc1 ZINC001435132742 1064537192 /nfs/dbraw/zinc/53/71/92/1064537192.db2.gz WRITUVHSQFCSJS-WIOPSUGQSA-N 0 0 459.571 4.760 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)ccc1OC ZINC001435133477 1064537774 /nfs/dbraw/zinc/53/77/74/1064537774.db2.gz HTJIZDMFWJLQDV-QFIPXVFZSA-N 0 0 458.514 4.546 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)ccc1OC ZINC001435135717 1064539472 /nfs/dbraw/zinc/53/94/72/1064539472.db2.gz SHMWSDMQBYZXRT-LJQANCHMSA-N 0 0 453.539 4.962 20 30 JJEDRN CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001359859179 1064547266 /nfs/dbraw/zinc/54/72/66/1064547266.db2.gz XILWGQVKPSNNBP-XMMPIXPASA-N 0 0 450.489 4.520 20 30 JJEDRN C#CC[C@]1(C(=O)Oc2ccc(-c3noc(CCCC)n3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001435151156 1064551074 /nfs/dbraw/zinc/55/10/74/1064551074.db2.gz YQHKLNDVPVOXNO-RUZDIDTESA-N 0 0 453.539 4.778 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)C(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)c1 ZINC001359863593 1064553535 /nfs/dbraw/zinc/55/35/35/1064553535.db2.gz NXICCTNEYFLQFQ-HSZRJFAPSA-N 0 0 450.604 4.944 20 30 JJEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001435160183 1064556207 /nfs/dbraw/zinc/55/62/07/1064556207.db2.gz ZUWZDFNZYUDGBK-SFHVURJKSA-N 0 0 453.543 4.669 20 30 JJEDRN N#C[C@H]1COCCN1C(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc21 ZINC001435169059 1064563560 /nfs/dbraw/zinc/56/35/60/1064563560.db2.gz SVMOCQSQNJNQRA-AWFCHZOYSA-N 0 0 454.349 4.594 20 30 JJEDRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(F)c1OC(F)(F)F ZINC001435168756 1064564732 /nfs/dbraw/zinc/56/47/32/1064564732.db2.gz BZVBKZAHRBAHMC-NSHDSACASA-N 0 0 452.326 4.632 20 30 JJEDRN C#CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435174069 1064568286 /nfs/dbraw/zinc/56/82/86/1064568286.db2.gz CYYVMPGOCKIUDS-OAQYLSRUSA-N 0 0 452.352 4.634 20 30 JJEDRN C#CCN(C(=O)c1cccc(OC(F)(F)F)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435174657 1064568484 /nfs/dbraw/zinc/56/84/84/1064568484.db2.gz HUUAWSRDZNSZIV-QGZVFWFLSA-N 0 0 454.242 4.947 20 30 JJEDRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)CSCc2ccc(C#N)cc2)c1C ZINC001435205605 1064591398 /nfs/dbraw/zinc/59/13/98/1064591398.db2.gz GPQXIPNYRJFHPJ-UHFFFAOYSA-N 0 0 455.381 4.995 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001359897346 1064600104 /nfs/dbraw/zinc/60/01/04/1064600104.db2.gz XUWWSWZNFDWGJN-HHHXNRCGSA-N 0 0 466.674 4.642 20 30 JJEDRN Cc1cc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)nn1-c1cccc(C#N)c1 ZINC001359897975 1064601754 /nfs/dbraw/zinc/60/17/54/1064601754.db2.gz KWZSBLCWKXISQI-UHFFFAOYSA-N 0 0 452.952 4.961 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 ZINC001359900635 1064609072 /nfs/dbraw/zinc/60/90/72/1064609072.db2.gz QNYPWPIZKXFCAC-AREMUKBSSA-N 0 0 453.631 4.788 20 30 JJEDRN CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359902621 1064614743 /nfs/dbraw/zinc/61/47/43/1064614743.db2.gz QFVCJSCIBLQARX-XZOQPEGZSA-N 0 0 478.641 4.992 20 30 JJEDRN CC(C)CCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 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CC(C)(C)OC(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(C#N)CC1 ZINC001360788770 1065902991 /nfs/dbraw/zinc/90/29/91/1065902991.db2.gz DPFPUHASUIGUQV-UHFFFAOYSA-N 0 0 476.984 4.782 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(C#N)CC1 ZINC001360789025 1065903730 /nfs/dbraw/zinc/90/37/30/1065903730.db2.gz OEQRGHGWDCUMNM-GOSISDBHSA-N 0 0 486.020 4.523 20 30 JJEDRN CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001360791031 1065905549 /nfs/dbraw/zinc/90/55/49/1065905549.db2.gz NSQLPFIZDZQMNW-UHFFFAOYSA-N 0 0 460.529 4.717 20 30 JJEDRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360792568 1065906960 /nfs/dbraw/zinc/90/69/60/1065906960.db2.gz VJQPKLNHFSZUEW-RHSMWYFYSA-N 0 0 482.576 4.850 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2C(F)F)c1 ZINC001440055684 1065907815 /nfs/dbraw/zinc/90/78/15/1065907815.db2.gz AYFPBRMIJAKGGE-IBGZPJMESA-N 0 0 454.926 4.591 20 30 JJEDRN COc1cccc2c1CCC[C@@H](NC(=O)C1(C)CCN(c3ccc(Cl)cc3C#N)CC1)C2 ZINC001440068963 1065909023 /nfs/dbraw/zinc/90/90/23/1065909023.db2.gz RDOYMQDLHZNXMN-OAQYLSRUSA-N 0 0 451.998 4.891 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(C)(C)C2)C1 ZINC001360801600 1065912549 /nfs/dbraw/zinc/91/25/49/1065912549.db2.gz IPWISVPDNDMNMR-OAQYLSRUSA-N 0 0 464.614 4.746 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC(C)(C#N)CC3)n2CC2CC(C)(C)C2)C1 ZINC001360801578 1065912694 /nfs/dbraw/zinc/91/26/94/1065912694.db2.gz ICIPAZFCYSQSMX-HXUWFJFHSA-N 0 0 470.662 4.959 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1CC(C)(C)C1 ZINC001360801789 1065912742 /nfs/dbraw/zinc/91/27/42/1065912742.db2.gz NYUSBTZPFGTLJN-FQEVSTJZSA-N 0 0 456.635 4.916 20 30 JJEDRN CC1(C)Cc2occc2CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)C1 ZINC001360802982 1065914983 /nfs/dbraw/zinc/91/49/83/1065914983.db2.gz RDLZAGZEDZVZNV-UHFFFAOYSA-N 0 0 455.509 4.670 20 30 JJEDRN CC1(C)CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360804896 1065915840 /nfs/dbraw/zinc/91/58/40/1065915840.db2.gz BDWXLSNXHOSSLS-IBGZPJMESA-N 0 0 459.516 4.991 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC001440178205 1065921438 /nfs/dbraw/zinc/92/14/38/1065921438.db2.gz ATOXABVTJKGUPF-GOSISDBHSA-N 0 0 453.505 4.864 20 30 JJEDRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001440425037 1065940129 /nfs/dbraw/zinc/94/01/29/1065940129.db2.gz ZOOBDEIDGOOWDO-KRWDZBQOSA-N 0 0 450.995 4.585 20 30 JJEDRN CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)CCS1 ZINC001360829575 1065941335 /nfs/dbraw/zinc/94/13/35/1065941335.db2.gz HGGXYGTWCVBWGK-UHFFFAOYSA-N 0 0 461.582 4.886 20 30 JJEDRN CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCSc2nccs2)CCS1 ZINC001360830043 1065942378 /nfs/dbraw/zinc/94/23/78/1065942378.db2.gz WMHGJZVRSMQRGB-UHFFFAOYSA-N 0 0 486.692 4.699 20 30 JJEDRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2)CC1 ZINC001360847397 1065955527 /nfs/dbraw/zinc/95/55/27/1065955527.db2.gz MTXKQRXMHNZFBX-OAQYLSRUSA-N 0 0 496.681 4.986 20 30 JJEDRN Cc1sc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)c1Br ZINC001360848892 1065958283 /nfs/dbraw/zinc/95/82/83/1065958283.db2.gz IUHMUCPXZSIZQF-ZIAGYGMSSA-N 0 0 486.439 4.920 20 30 JJEDRN CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccs2)CC1 ZINC001360851120 1065963842 /nfs/dbraw/zinc/96/38/42/1065963842.db2.gz BJZLJEVTOFPMSD-UHFFFAOYSA-N 0 0 454.397 5.000 20 30 JJEDRN Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)=C(Br)C2)cnn1CC(C)C ZINC001360851359 1065964325 /nfs/dbraw/zinc/96/43/25/1065964325.db2.gz IMQSWDQJFWHVHO-UHFFFAOYSA-N 0 0 494.441 4.905 20 30 JJEDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001440681028 1065964868 /nfs/dbraw/zinc/96/48/68/1065964868.db2.gz FGOCFIBGDGRGJN-FQEVSTJZSA-N 0 0 456.493 4.559 20 30 JJEDRN CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360851849 1065966054 /nfs/dbraw/zinc/96/60/54/1065966054.db2.gz SIGWJBUFTUUQIN-SJLPKXTDSA-N 0 0 456.388 4.511 20 30 JJEDRN Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC001440683460 1065966057 /nfs/dbraw/zinc/96/60/57/1065966057.db2.gz KEVFQWAZAFOWII-DEOSSOPVSA-N 0 0 450.945 4.909 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(C)(C)[C@@H]3CCC[C@H](C(F)(F)F)N3)c2)c1 ZINC001440870882 1065986348 /nfs/dbraw/zinc/98/63/48/1065986348.db2.gz NYYHJCIJJLIJSM-FCHUYYIVSA-N 0 0 472.507 4.911 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2Cc2ccc(C#N)o2)c1C ZINC001360870964 1066004159 /nfs/dbraw/zinc/00/41/59/1066004159.db2.gz RNAGXARZFJGPDB-ZHALLVOQSA-N 0 0 451.596 4.878 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2CCO[C@H](C)C2)c1C ZINC001360873181 1066008521 /nfs/dbraw/zinc/00/85/21/1066008521.db2.gz FXEJKCAOHYBGOP-ZHBILRMLSA-N 0 0 455.578 4.682 20 30 JJEDRN 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Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccs1 ZINC001360992541 1066172028 /nfs/dbraw/zinc/17/20/28/1066172028.db2.gz PJUDOKVSAFGJJB-IEBWSBKVSA-N 0 0 472.014 4.721 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H](C)c2nccs2)c(C)o1 ZINC001360998094 1066177015 /nfs/dbraw/zinc/17/70/15/1066177015.db2.gz UKNZDHNJBHJMJC-PUAOIOHZSA-N 0 0 476.606 4.631 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C)(C#N)CC2)c(C)o1 ZINC001360998126 1066177284 /nfs/dbraw/zinc/17/72/84/1066177284.db2.gz VBEIAIAEXXVYLI-XMMPIXPASA-N 0 0 453.974 4.846 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@H]3COc4ccccc4O3)nnc2N(CCC#N)CCC(C)C)c(C)o1 ZINC001361000028 1066178410 /nfs/dbraw/zinc/17/84/10/1066178410.db2.gz RDOMKDBILDGDIO-SHQCIBLASA-N 0 0 493.608 4.674 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C ZINC001361016372 1066204488 /nfs/dbraw/zinc/20/44/88/1066204488.db2.gz NGTZPPNTHXGXMA-UHFFFAOYSA-N 0 0 458.522 4.758 20 30 JJEDRN Cc1cc(C)cc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H](C)C#N)c1 ZINC001361017193 1066205531 /nfs/dbraw/zinc/20/55/31/1066205531.db2.gz LTFCJQWCGRZCTQ-FYYLOGMGSA-N 0 0 480.657 4.848 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccnc2OCC(F)(F)F)c1 ZINC001361018680 1066208758 /nfs/dbraw/zinc/20/87/58/1066208758.db2.gz ROJQSXDBIWNHMN-SFHVURJKSA-N 0 0 488.514 4.597 20 30 JJEDRN CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC001453973268 1066227903 /nfs/dbraw/zinc/22/79/03/1066227903.db2.gz PAYZKAAQPUGBPK-FGZHOGPDSA-N 0 0 459.631 4.638 20 30 JJEDRN Cc1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)OC(C)(C)C ZINC001453982587 1066229135 /nfs/dbraw/zinc/22/91/35/1066229135.db2.gz UNYAMYDDDHAIMX-UHFFFAOYSA-N 0 0 457.571 4.931 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OC(C)(C)C)CC2)O1 ZINC001546057109 1066231075 /nfs/dbraw/zinc/23/10/75/1066231075.db2.gz NWDRKUYVODMGSX-WNCULLNHSA-N 0 0 481.641 4.860 20 30 JJEDRN C=CCCC[C@H](C(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1)c1ccccc1 ZINC001442934760 1066243688 /nfs/dbraw/zinc/24/36/88/1066243688.db2.gz FPBGPSCWGZOEDO-DHLKQENFSA-N 0 0 454.636 4.652 20 30 JJEDRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)O1 ZINC001546057881 1066244816 /nfs/dbraw/zinc/24/48/16/1066244816.db2.gz YEBSYGFQCZZQEZ-OFNKIYASSA-N 0 0 459.541 4.558 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC001442970801 1066248228 /nfs/dbraw/zinc/24/82/28/1066248228.db2.gz AVIOAUYSRDCPBE-HXUWFJFHSA-N 0 0 459.359 4.773 20 30 JJEDRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)c2ccccc21 ZINC001454192919 1066252748 /nfs/dbraw/zinc/25/27/48/1066252748.db2.gz JRXCRARFGALMNN-IBGZPJMESA-N 0 0 455.352 4.725 20 30 JJEDRN N#Cc1ccccc1NC1CCN(C(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 ZINC001454241620 1066256902 /nfs/dbraw/zinc/25/69/02/1066256902.db2.gz MXJJBEOZTIHHNE-XMMPIXPASA-N 0 0 457.496 4.629 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC001443092073 1066265417 /nfs/dbraw/zinc/26/54/17/1066265417.db2.gz RRRBOHCXKPZNCP-FQEVSTJZSA-N 0 0 454.958 4.882 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)NC2CCCCC2)c(C)n1-c1ccccc1 ZINC001361044801 1066267873 /nfs/dbraw/zinc/26/78/73/1066267873.db2.gz FROIVTZTBNHSIC-HXUWFJFHSA-N 0 0 487.652 4.930 20 30 JJEDRN COc1cccc([S@](=O)CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 ZINC001443102146 1066268518 /nfs/dbraw/zinc/26/85/18/1066268518.db2.gz WZLWBXFRGNEKSV-WJOKGBTCSA-N 0 0 454.935 4.546 20 30 JJEDRN CC(C)(C)OC(=O)[C@]1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCCO1 ZINC001443101365 1066268643 /nfs/dbraw/zinc/26/86/43/1066268643.db2.gz VTLQOZZCEUZGIR-XMMPIXPASA-N 0 0 456.926 4.620 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC001443102603 1066268827 /nfs/dbraw/zinc/26/88/27/1066268827.db2.gz OZQSPBGFFBDYPU-RUZDIDTESA-N 0 0 454.530 4.541 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045181 1066269318 /nfs/dbraw/zinc/26/93/18/1066269318.db2.gz PTWRFXJFPJHSBM-LJQANCHMSA-N 0 0 477.613 4.845 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN(C)C(=O)OC(C)(C)C)c(C)n1-c1ccccc1 ZINC001361045091 1066269464 /nfs/dbraw/zinc/26/94/64/1066269464.db2.gz NDAOAMTYQFAXPN-IBGZPJMESA-N 0 0 491.640 4.958 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001454343222 1066273252 /nfs/dbraw/zinc/27/32/52/1066273252.db2.gz CMSFBERZDSHOLC-YADHBBJMSA-N 0 0 451.954 4.850 20 30 JJEDRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545954763 1066273677 /nfs/dbraw/zinc/27/36/77/1066273677.db2.gz KEKYJPJVILBMAY-CEWLAPEOSA-N 0 0 454.619 4.719 20 30 JJEDRN Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)NC(=O)OC(C)(C)C)c(C)n1-c1ccccc1 ZINC001361045990 1066273852 /nfs/dbraw/zinc/27/38/52/1066273852.db2.gz QTGASSSNIMCOFT-RTBURBONSA-N 0 0 491.640 4.862 20 30 JJEDRN Cc1nnsc1Cn1c(-c2cc(C)nc3ccccc32)nnc1N(CCC#N)CCC(C)C ZINC001361048608 1066277857 /nfs/dbraw/zinc/27/78/57/1066277857.db2.gz DZUKLWKHRDKUGB-UHFFFAOYSA-N 0 0 460.611 4.776 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443220460 1066282124 /nfs/dbraw/zinc/28/21/24/1066282124.db2.gz WRAAJWILUOWPLF-MBSDFSHPSA-N 0 0 454.542 4.889 20 30 JJEDRN COc1ccccc1[C@H]1CCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N ZINC001443356143 1066300043 /nfs/dbraw/zinc/30/00/43/1066300043.db2.gz FPALDERNCNVTFJ-DBAWVUNSSA-N 0 0 453.583 4.536 20 30 JJEDRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC001443366677 1066302390 /nfs/dbraw/zinc/30/23/90/1066302390.db2.gz WGCAYENTHJUTJY-FQEVSTJZSA-N 0 0 457.914 4.583 20 30 JJEDRN N#CCCN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc(F)cc1 ZINC001443365812 1066302550 /nfs/dbraw/zinc/30/25/50/1066302550.db2.gz CFWFEQHCEDOBOE-UHFFFAOYSA-N 0 0 458.522 4.507 20 30 JJEDRN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454597736 1066307478 /nfs/dbraw/zinc/30/74/78/1066307478.db2.gz AQHRKAZHBSMFRO-QHCPKHFHSA-N 0 0 453.586 4.660 20 30 JJEDRN C=C(C)[C@H](CC(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21)OCC ZINC001454596858 1066307557 /nfs/dbraw/zinc/30/75/57/1066307557.db2.gz VCRSSGKMBDKJPV-LPHOPBHVSA-N 0 0 452.389 4.982 20 30 JJEDRN Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)cs1 ZINC001361072164 1066312864 /nfs/dbraw/zinc/31/28/64/1066312864.db2.gz XQYUKIGSGWAYEC-QFIPXVFZSA-N 0 0 475.540 4.765 20 30 JJEDRN Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)no1 ZINC001361077900 1066317585 /nfs/dbraw/zinc/31/75/85/1066317585.db2.gz DQHFYAWNJISCAD-UHFFFAOYSA-N 0 0 495.374 4.813 20 30 JJEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC001443537802 1066326820 /nfs/dbraw/zinc/32/68/20/1066326820.db2.gz JQIFRVOIQLODNY-QHCPKHFHSA-N 0 0 455.514 4.562 20 30 JJEDRN 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CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)CNc2ccc(C#N)cc2)C1)C1CCCC1 ZINC001455508812 1066400962 /nfs/dbraw/zinc/40/09/62/1066400962.db2.gz HEQUTUWEDHHISP-NZQKXSOJSA-N 0 0 454.615 4.682 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545964751 1066412447 /nfs/dbraw/zinc/41/24/47/1066412447.db2.gz JQZBWSTWFDKNPV-NVXWUHKLSA-N 0 0 477.009 4.506 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2c(Cl)c(C(F)(F)F)nn2C)c1 ZINC001361145480 1066428927 /nfs/dbraw/zinc/42/89/27/1066428927.db2.gz YWNOGEDRRJBCSX-OAHLLOKOSA-N 0 0 495.937 4.666 20 30 JJEDRN C[C@@H](NC(=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2)c1cccc(C#N)c1 ZINC001455776534 1066430981 /nfs/dbraw/zinc/43/09/81/1066430981.db2.gz DQIRGDSPYSJJKW-CYBMUJFWSA-N 0 0 452.308 4.578 20 30 JJEDRN C[C@](C#N)(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CCCCC1 ZINC001444225528 1066431704 /nfs/dbraw/zinc/43/17/04/1066431704.db2.gz CCLZKTINDWISKZ-JOCHJYFZSA-N 0 0 458.356 4.816 20 30 JJEDRN 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Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2CCc2cc(C(F)(F)F)ccn2)c1 ZINC001361152595 1066446615 /nfs/dbraw/zinc/44/66/15/1066446615.db2.gz VFEXYVQIMXZTMO-UHFFFAOYSA-N 0 0 484.526 4.870 20 30 JJEDRN C=CC1(CC(=O)N[C@H](COCc2ccccc2)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001444346395 1066452615 /nfs/dbraw/zinc/45/26/15/1066452615.db2.gz XSUUVLGNFTZAJO-HSZRJFAPSA-N 0 0 450.579 4.874 20 30 JJEDRN N#C[C@@]1(C(=O)Nc2cc(I)ccc2Br)CC2CCC1CC2 ZINC001455966064 1066462587 /nfs/dbraw/zinc/46/25/87/1066462587.db2.gz KAIBYJQQONMFHQ-PRDDCLIZSA-N 0 0 459.125 4.712 20 30 JJEDRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001456019138 1066476212 /nfs/dbraw/zinc/47/62/12/1066476212.db2.gz NUEMUCOVGBISEG-UHFFFAOYSA-N 0 0 451.567 4.951 20 30 JJEDRN CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2C1)NC(=O)OC(C)(C)C ZINC001545968572 1066494632 /nfs/dbraw/zinc/49/46/32/1066494632.db2.gz HQHZUMRFJPBKJB-FQEVSTJZSA-N 0 0 478.622 4.744 20 30 JJEDRN C#CCN(CC(=O)N[C@H](c1ccc(OC)cc1C)c1ccccc1Cl)C(=O)OC(C)(C)C 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475.753 4.555 20 30 JJEDRN Cc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)ccc1C(=O)NC(C)C ZINC001456214450 1066539099 /nfs/dbraw/zinc/53/90/99/1066539099.db2.gz NZHSHYBRTXQKMJ-UHFFFAOYSA-N 0 0 452.986 4.904 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1 ZINC001445111627 1066539592 /nfs/dbraw/zinc/53/95/92/1066539592.db2.gz POKBQYLBQMFKAV-IFMALSPDSA-N 0 0 451.617 4.789 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC001445111645 1066539669 /nfs/dbraw/zinc/53/96/69/1066539669.db2.gz POKBQYLBQMFKAV-RBBKRZOGSA-N 0 0 451.617 4.789 20 30 JJEDRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC001445163123 1066541775 /nfs/dbraw/zinc/54/17/75/1066541775.db2.gz VYXHBBHLXOPJHF-YFIXDKARSA-N 0 0 457.578 4.574 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NC2CCCCC2)cc1Br ZINC001361213476 1066548307 /nfs/dbraw/zinc/54/83/07/1066548307.db2.gz XSECQFRTJICPAR-DEOSSOPVSA-N 0 0 499.457 4.595 20 30 JJEDRN CC1(C)C[C@@H](CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C(C)(C)O1 ZINC001456273196 1066552265 /nfs/dbraw/zinc/55/22/65/1066552265.db2.gz LHVTXVCHUDMFGP-SFHVURJKSA-N 0 0 451.592 4.613 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)ccc1OC ZINC001456302175 1066558443 /nfs/dbraw/zinc/55/84/43/1066558443.db2.gz ISGWVIIDPZNMHX-SFHVURJKSA-N 0 0 458.440 4.511 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)ccc1OC ZINC001456307911 1066560221 /nfs/dbraw/zinc/56/02/21/1066560221.db2.gz VWJAHKSXVLPCOM-QFIPXVFZSA-N 0 0 457.530 4.867 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C)C2)c1 ZINC001445375887 1066564982 /nfs/dbraw/zinc/56/49/82/1066564982.db2.gz WPZGYMHHVLJSAG-HNNXBMFYSA-N 0 0 453.391 4.857 20 30 JJEDRN Cc1ccc(-c2nnc(N3C[C@@H](c4ccccc4)[C@H](C#N)C3)n2CC(F)(F)Br)o1 ZINC001361232519 1066573345 /nfs/dbraw/zinc/57/33/45/1066573345.db2.gz QBUVVKUTUGTWKE-CVEARBPZSA-N 0 0 462.298 4.578 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCc3ccc(-c4ccccc4)cc3)C2)C1 ZINC001445571722 1066588917 /nfs/dbraw/zinc/58/89/17/1066588917.db2.gz XTSJQBGHOFKRJQ-MWRHLSOJSA-N 0 0 459.590 4.799 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1Cl ZINC001445633766 1066596484 /nfs/dbraw/zinc/59/64/84/1066596484.db2.gz VMUUAJAZXUGRRN-QUCCMNQESA-N 0 0 452.894 4.562 20 30 JJEDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1 ZINC001445702897 1066606440 /nfs/dbraw/zinc/60/64/40/1066606440.db2.gz OGURFPPNWQGCFO-OAHLLOKOSA-N 0 0 451.596 4.917 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2ccncc2Cl)s1 ZINC001361261910 1066614934 /nfs/dbraw/zinc/61/49/34/1066614934.db2.gz ZXQRDEVPOZJDMV-UHFFFAOYSA-N 0 0 464.982 4.832 20 30 JJEDRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001445809814 1066621955 /nfs/dbraw/zinc/62/19/55/1066621955.db2.gz AMFUZMUYKLZZQE-QFIPXVFZSA-N 0 0 451.567 4.951 20 30 JJEDRN Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N(CCC#N)CC2CC2)cn1 ZINC001361269153 1066623031 /nfs/dbraw/zinc/62/30/31/1066623031.db2.gz ZJXHKBRDQQIKTM-UHFFFAOYSA-N 0 0 469.362 4.729 20 30 JJEDRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H](C)C#N)c(OCC(F)(F)F)c1 ZINC001361272255 1066626253 /nfs/dbraw/zinc/62/62/53/1066626253.db2.gz LKNGLSCNNHJODW-OAHLLOKOSA-N 0 0 478.906 4.887 20 30 JJEDRN Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC001361272215 1066626331 /nfs/dbraw/zinc/62/63/31/1066626331.db2.gz KNLWULWZEGWDCO-UHFFFAOYSA-N 0 0 480.416 4.890 20 30 JJEDRN COc1cc(C=C(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c2ccccc2)ccc1O ZINC001445859581 1066627013 /nfs/dbraw/zinc/62/70/13/1066627013.db2.gz CZPUQCUKLXGQHC-LPYMAVHISA-N 0 0 450.498 4.520 20 30 JJEDRN O=C(/C=C/c1ccc2ccccc2n1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001456582002 1066631649 /nfs/dbraw/zinc/63/16/49/1066631649.db2.gz CKORGSVHQSQTFE-CWZTWBIVSA-N 0 0 450.329 4.877 20 30 JJEDRN COC(=O)c1ccc(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cn1 ZINC001361275672 1066632781 /nfs/dbraw/zinc/63/27/81/1066632781.db2.gz LHHJWACAJNWEKO-UHFFFAOYSA-N 0 0 455.392 4.732 20 30 JJEDRN CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC001456603347 1066639351 /nfs/dbraw/zinc/63/93/51/1066639351.db2.gz VOYSBAOJNTZISL-QGZVFWFLSA-N 0 0 453.514 4.867 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001361287801 1066645855 /nfs/dbraw/zinc/64/58/55/1066645855.db2.gz CQEHOJVXKBHEJJ-INIZCTEOSA-N 0 0 457.477 4.631 20 30 JJEDRN CSc1cc(C)ccc1CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C ZINC001446043735 1066650646 /nfs/dbraw/zinc/65/06/46/1066650646.db2.gz QDBMPLFENKRAII-QFIPXVFZSA-N 0 0 451.592 4.739 20 30 JJEDRN C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2Br)ccc1Cl ZINC001446044774 1066651337 /nfs/dbraw/zinc/65/13/37/1066651337.db2.gz CWIRAMXFYOPOGJ-LBPRGKRZSA-N 0 0 457.777 4.516 20 30 JJEDRN Cc1ccccc1OCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC#N ZINC001492600107 1066652450 /nfs/dbraw/zinc/65/24/50/1066652450.db2.gz GYRANBPBTMDDDL-MRXNPFEDSA-N 0 0 457.376 4.552 20 30 JJEDRN Cc1cccnc1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@](C)(C#N)C1 ZINC001492605188 1066663114 /nfs/dbraw/zinc/66/31/14/1066663114.db2.gz SUXUWQBITSWKQL-JOCHJYFZSA-N 0 0 451.372 4.589 20 30 JJEDRN CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1)c1ccc(C#N)cc1 ZINC001456725485 1066674478 /nfs/dbraw/zinc/67/44/78/1066674478.db2.gz GCJSZDMDFCXAQL-GOSISDBHSA-N 0 0 454.368 4.535 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(CC)C2CCC2)ccc1Cl ZINC001456730307 1066675901 /nfs/dbraw/zinc/67/59/01/1066675901.db2.gz OKVICECRVNHRJK-UHFFFAOYSA-N 0 0 450.963 4.875 20 30 JJEDRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCc2c(C#N)c(N)sc2C1 ZINC001456732187 1066676777 /nfs/dbraw/zinc/67/67/77/1066676777.db2.gz FQLMETZKNXBCQD-LBPRGKRZSA-N 0 0 458.996 4.717 20 30 JJEDRN COc1ccc(CSCC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)cc1[N+](=O)[O-] ZINC001456773998 1066686906 /nfs/dbraw/zinc/68/69/06/1066686906.db2.gz NWPUKAKCMWCYGU-UHFFFAOYSA-N 0 0 450.476 4.534 20 30 JJEDRN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC001456783907 1066689845 /nfs/dbraw/zinc/68/98/45/1066689845.db2.gz IZEOZRLHLMSEKW-UHFFFAOYSA-N 0 0 454.935 4.680 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(C)ccc2I)c1C ZINC001456792700 1066691677 /nfs/dbraw/zinc/69/16/77/1066691677.db2.gz WPVQHLIRUWXVEF-UHFFFAOYSA-N 0 0 456.287 4.526 20 30 JJEDRN CC(C)C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)Nc1nccs1 ZINC001446330249 1066692179 /nfs/dbraw/zinc/69/21/79/1066692179.db2.gz IVZXZLUICRDXTC-IBGZPJMESA-N 0 0 450.589 4.949 20 30 JJEDRN Cc1cnn(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@@H](C)CC#N)c1 ZINC001492624328 1066696338 /nfs/dbraw/zinc/69/63/38/1066696338.db2.gz SGBKAUAPTOMQKL-RBUKOAKNSA-N 0 0 455.994 4.632 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)s1 ZINC001492629660 1066702021 /nfs/dbraw/zinc/70/20/21/1066702021.db2.gz FWKQRHFCZFZUKO-WBVHZDCISA-N 0 0 454.575 4.866 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)s1 ZINC001492629658 1066702031 /nfs/dbraw/zinc/70/20/31/1066702031.db2.gz FWKQRHFCZFZUKO-NVXWUHKLSA-N 0 0 454.575 4.866 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H](C)C#N)s1 ZINC001492630066 1066703516 /nfs/dbraw/zinc/70/35/16/1066703516.db2.gz NKSXJHIBIPVVPA-NWDGAFQWSA-N 0 0 465.446 4.934 20 30 JJEDRN C[C@H](C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001456857668 1066706793 /nfs/dbraw/zinc/70/67/93/1066706793.db2.gz BIXWRZLQVIDKQF-BMIGLBTASA-N 0 0 458.351 4.854 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC001492631686 1066708322 /nfs/dbraw/zinc/70/83/22/1066708322.db2.gz PSYTZHNUFIYZRA-QGZVFWFLSA-N 0 0 481.645 4.773 20 30 JJEDRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)NC(=O)OC(C)(C)C ZINC001545986502 1066708638 /nfs/dbraw/zinc/70/86/38/1066708638.db2.gz GOBOTBMWVWPMDA-GMAHTHKFSA-N 0 0 494.640 4.864 20 30 JJEDRN Cc1cnc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)Br)CC2)s1 ZINC001492633811 1066714544 /nfs/dbraw/zinc/71/45/44/1066714544.db2.gz PPLNTQOIEXOSSN-UHFFFAOYSA-N 0 0 493.381 4.953 20 30 JJEDRN C=CCC[C@H](NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(F)(F)F)cc1 ZINC001446565103 1066721108 /nfs/dbraw/zinc/72/11/08/1066721108.db2.gz FCYINIFBIPQJLB-IBGZPJMESA-N 0 0 457.452 4.914 20 30 JJEDRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001446571467 1066722417 /nfs/dbraw/zinc/72/24/17/1066722417.db2.gz XHPQCUMPBXLDOD-GTNSWQLSSA-N 0 0 453.354 4.871 20 30 JJEDRN COC(=O)C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC001456932920 1066724973 /nfs/dbraw/zinc/72/49/73/1066724973.db2.gz MWRMXBNIKZGKMM-FQEVSTJZSA-N 0 0 457.452 4.998 20 30 JJEDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)s1 ZINC001446675747 1066730700 /nfs/dbraw/zinc/73/07/00/1066730700.db2.gz LKSUFQHWVFKRTH-UHFFFAOYSA-N 0 0 454.939 4.718 20 30 JJEDRN C[C@]1(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC(c2cccc(Cl)c2F)=NO1 ZINC001446669101 1066730892 /nfs/dbraw/zinc/73/08/92/1066730892.db2.gz CUCRAIDTVXQIGL-OAQYLSRUSA-N 0 0 458.280 4.712 20 30 JJEDRN O=C(N[C@@H](CO)CC(F)(F)F)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 ZINC001446745512 1066735263 /nfs/dbraw/zinc/73/52/63/1066735263.db2.gz HWYSBAPHQMKZLH-ITGNNIDWSA-N 0 0 455.361 4.538 20 30 JJEDRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC001457018318 1066744500 /nfs/dbraw/zinc/74/45/00/1066744500.db2.gz HIMSZGMJDDLWOZ-APWZRJJASA-N 0 0 452.530 4.748 20 30 JJEDRN Cc1csc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCc2nccs2)c1 ZINC001492648013 1066752923 /nfs/dbraw/zinc/75/29/23/1066752923.db2.gz GJIGNUPNJWSEET-UHFFFAOYSA-N 0 0 464.620 4.824 20 30 JJEDRN CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001446900425 1066754795 /nfs/dbraw/zinc/75/47/95/1066754795.db2.gz QZKBQOWEFXPHIR-PXDATVDWSA-N 0 0 450.595 4.890 20 30 JJEDRN CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001446900423 1066754819 /nfs/dbraw/zinc/75/48/19/1066754819.db2.gz QZKBQOWEFXPHIR-BWKNWUBXSA-N 0 0 450.595 4.890 20 30 JJEDRN CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001446900426 1066754864 /nfs/dbraw/zinc/75/48/64/1066754864.db2.gz QZKBQOWEFXPHIR-SQJMNOBHSA-N 0 0 450.595 4.890 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC001446958470 1066758540 /nfs/dbraw/zinc/75/85/40/1066758540.db2.gz NFJSCAXEXSXOOM-UHFFFAOYSA-N 0 0 453.589 4.804 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Oc1ccc(-c2cscn2)cc1 ZINC001457092902 1066759729 /nfs/dbraw/zinc/75/97/29/1066759729.db2.gz JUCAUKIQUPIFTB-UHFFFAOYSA-N 0 0 459.321 4.827 20 30 JJEDRN Cc1cscc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001492653759 1066762383 /nfs/dbraw/zinc/76/23/83/1066762383.db2.gz GMSYXCRSKHRCSN-FQEVSTJZSA-N 0 0 459.417 4.594 20 30 JJEDRN Cc1cscc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001492653963 1066762936 /nfs/dbraw/zinc/76/29/36/1066762936.db2.gz JKKBUWFIFKIVCM-UHFFFAOYSA-N 0 0 481.423 4.972 20 30 JJEDRN Cc1cscc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001492654013 1066763320 /nfs/dbraw/zinc/76/33/20/1066763320.db2.gz KHTSCMMIOPBNTA-UHFFFAOYSA-N 0 0 478.622 4.540 20 30 JJEDRN C=CC[C@@H](CO)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccc([N+](=O)[O-])c1 ZINC001447025297 1066767475 /nfs/dbraw/zinc/76/74/75/1066767475.db2.gz ICLVMPBDYQJOIO-HZQOKBKYSA-N 0 0 457.530 4.934 20 30 JJEDRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)s1 ZINC001492658913 1066774152 /nfs/dbraw/zinc/77/41/52/1066774152.db2.gz LCYBVQXCKGBHQO-INIZCTEOSA-N 0 0 454.575 4.809 20 30 JJEDRN Cc1nc(C)c(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(C)(C#N)CC2)s1 ZINC001492659160 1066774842 /nfs/dbraw/zinc/77/48/42/1066774842.db2.gz SGVDYYLOIBFQAZ-UHFFFAOYSA-N 0 0 458.538 4.798 20 30 JJEDRN Cc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cc(Cl)ccn2)s1 ZINC001492660478 1066778096 /nfs/dbraw/zinc/77/80/96/1066778096.db2.gz OXCQGHQTBLQLGP-UHFFFAOYSA-N 0 0 479.997 4.535 20 30 JJEDRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cccc(COc4ccccc4C#N)c3)n2)c1 ZINC001457170662 1066779706 /nfs/dbraw/zinc/77/97/06/1066779706.db2.gz ONGXIRUUBAEYEX-QGZVFWFLSA-N 0 0 454.486 4.687 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2Cc2ccc(C#N)o2)cs1 ZINC001492666049 1066789502 /nfs/dbraw/zinc/78/95/02/1066789502.db2.gz FSNGTFGNNOTMEG-UHFFFAOYSA-N 0 0 472.496 4.802 20 30 JJEDRN Cc1nc(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2Cc2ccc(C#N)o2)cs1 ZINC001492669664 1066798744 /nfs/dbraw/zinc/79/87/44/1066798744.db2.gz GEVSABRTONZHOQ-UHFFFAOYSA-N 0 0 450.543 4.701 20 30 JJEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)c1 ZINC001447369543 1066800355 /nfs/dbraw/zinc/80/03/55/1066800355.db2.gz WZXVCUCSHOSWIQ-IBGZPJMESA-N 0 0 451.613 4.793 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492672780 1066805007 /nfs/dbraw/zinc/80/50/07/1066805007.db2.gz GKTLWXMIOJRUGF-UHFFFAOYSA-N 0 0 476.528 4.553 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)Sc2ccccc2)cs1 ZINC001492676773 1066814350 /nfs/dbraw/zinc/81/43/50/1066814350.db2.gz OGFPQJRZVOGBSQ-HXOBKFHXSA-N 0 0 452.653 4.945 20 30 JJEDRN C=CC[C@H](NC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C)C(=O)OCC ZINC001447552256 1066820935 /nfs/dbraw/zinc/82/09/35/1066820935.db2.gz OZDZVULQIHVEIG-DOTOQJQBSA-N 0 0 459.370 4.525 20 30 JJEDRN Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(CCC(F)(F)F)CC2CC2)cs1 ZINC001492687952 1066834297 /nfs/dbraw/zinc/83/42/97/1066834297.db2.gz WTGIXHKAYVYICY-UHFFFAOYSA-N 0 0 460.529 4.993 20 30 JJEDRN COc1ccc(-c2csc(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1F ZINC001457500669 1066844106 /nfs/dbraw/zinc/84/41/06/1066844106.db2.gz WWBUSRSDJUKDII-UHFFFAOYSA-N 0 0 459.543 4.547 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001492696173 1066845296 /nfs/dbraw/zinc/84/52/96/1066845296.db2.gz WUIZEDHEGQKKLM-FQEVSTJZSA-N 0 0 493.637 4.618 20 30 JJEDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc2[N+](=O)[O-])C1 ZINC001457509232 1066846573 /nfs/dbraw/zinc/84/65/73/1066846573.db2.gz NMUXFKVBVINBJI-CALCHBBNSA-N 0 0 459.468 4.877 20 30 JJEDRN C[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(I)cc1 ZINC001457511151 1066847086 /nfs/dbraw/zinc/84/70/86/1066847086.db2.gz WVAWDRNPKSYXFK-CYBMUJFWSA-N 0 0 457.233 4.581 20 30 JJEDRN C=CCCN(OCc1ccccc1)C(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001447755862 1066854380 /nfs/dbraw/zinc/85/43/80/1066854380.db2.gz WCXOQMWBKOUQCF-UHFFFAOYSA-N 0 0 455.555 4.939 20 30 JJEDRN Cc1nccn1-c1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@H](C)C#N)cn1 ZINC001492703740 1066861711 /nfs/dbraw/zinc/86/17/11/1066861711.db2.gz FLPRBEKMACYJGK-OAHLLOKOSA-N 0 0 481.391 4.785 20 30 JJEDRN Cc1cc(C(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)nn1-c1cccc(C#N)c1 ZINC001457580913 1066870922 /nfs/dbraw/zinc/87/09/22/1066870922.db2.gz SNJUSCAPOKLANZ-SFHVURJKSA-N 0 0 459.550 4.568 20 30 JJEDRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccn(-c3ccc(C#N)cc3Cl)n1)O2 ZINC001546092206 1066871462 /nfs/dbraw/zinc/87/14/62/1066871462.db2.gz MUGBECPOTJUXEF-XMMPIXPASA-N 0 0 450.926 4.751 20 30 JJEDRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccn(-c3ccc(C#N)cc3Cl)n1)O2 ZINC001546092205 1066871636 /nfs/dbraw/zinc/87/16/36/1066871636.db2.gz MUGBECPOTJUXEF-DEOSSOPVSA-N 0 0 450.926 4.751 20 30 JJEDRN Cc1ccccc1-c1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n(CCO)n1 ZINC001457589464 1066872675 /nfs/dbraw/zinc/87/26/75/1066872675.db2.gz BGFXGXYODTTYSQ-UHFFFAOYSA-N 0 0 452.514 4.554 20 30 JJEDRN C=CC[C@@]1(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCCN1C(=O)OC(C)(C)C ZINC001447903608 1066874881 /nfs/dbraw/zinc/87/48/81/1066874881.db2.gz MLUKVWMYHBSNIT-XXBNENTESA-N 0 0 452.954 4.725 20 30 JJEDRN CCCc1c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cnn1-c1cccc(C#N)c1 ZINC001447958912 1066882774 /nfs/dbraw/zinc/88/27/74/1066882774.db2.gz JYKRXERFDQVMAC-DEOSSOPVSA-N 0 0 459.550 4.586 20 30 JJEDRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(CC#N)ccn3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457628771 1066885653 /nfs/dbraw/zinc/88/56/53/1066885653.db2.gz BCTHZSWFMZRQMR-JYFHCDHNSA-N 0 0 454.530 4.588 20 30 JJEDRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001492723010 1066894289 /nfs/dbraw/zinc/89/42/89/1066894289.db2.gz XKEYBUTTXOBEBD-QHCPKHFHSA-N 0 0 488.423 4.693 20 30 JJEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC001457682469 1066896488 /nfs/dbraw/zinc/89/64/88/1066896488.db2.gz FMMZPAFVUUZQJE-IBGZPJMESA-N 0 0 450.358 4.773 20 30 JJEDRN Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4Cl)n3CC(C)(C)C(C)C)CC2)c1C#N ZINC001492727893 1066897168 /nfs/dbraw/zinc/89/71/68/1066897168.db2.gz LMDWRMBYVHUWBO-UHFFFAOYSA-N 0 0 481.048 4.521 20 30 JJEDRN Cc1cc(C)n(-c2ccc(Cn3c([C@H](C)Oc4cccc(C)c4C)nnc3N(C)C[C@H](C)C#N)cn2)n1 ZINC001492728064 1066897690 /nfs/dbraw/zinc/89/76/90/1066897690.db2.gz RLBNWHXMYJWENX-JPYJTQIMSA-N 0 0 498.635 4.877 20 30 JJEDRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001492729689 1066899959 /nfs/dbraw/zinc/89/99/59/1066899959.db2.gz IANPCDWGCSSWPX-SHQCIBLASA-N 0 0 475.641 4.659 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)s1 ZINC001448158731 1066905334 /nfs/dbraw/zinc/90/53/34/1066905334.db2.gz IOIWAMTWFWLXPK-HLIPFELVSA-N 0 0 453.029 4.580 20 30 JJEDRN CC(C)c1nc(C(=O)NCc2cc(F)c(C#N)c(F)c2)nn1-c1c(Cl)cccc1Cl ZINC001448189956 1066908001 /nfs/dbraw/zinc/90/80/01/1066908001.db2.gz WMWBLUUADZOHKD-UHFFFAOYSA-N 0 0 450.276 4.777 20 30 JJEDRN CCC1(CC)Oc2ccc(NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)cc2O1 ZINC001457752402 1066911583 /nfs/dbraw/zinc/91/15/83/1066911583.db2.gz LRKYXJRGFLRVMX-COYMHYPVSA-N 0 0 455.555 4.699 20 30 JJEDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001448350318 1066918676 /nfs/dbraw/zinc/91/86/76/1066918676.db2.gz KOLDMFFIWQAQSK-UHFFFAOYSA-N 0 0 451.298 4.637 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC001492744373 1066920047 /nfs/dbraw/zinc/92/00/47/1066920047.db2.gz NJAXGFGVMLFUKF-OALUTQOASA-N 0 0 463.552 4.639 20 30 JJEDRN N#CCCn1ncc(C(=O)N2CCc3c(F)cc(Br)cc3C2)c1-c1ccccc1 ZINC001457788799 1066920784 /nfs/dbraw/zinc/92/07/84/1066920784.db2.gz JBOPSRPSBGWQGQ-UHFFFAOYSA-N 0 0 453.315 4.564 20 30 JJEDRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2ccc(C#N)cc2F)c1 ZINC001457799253 1066923070 /nfs/dbraw/zinc/92/30/70/1066923070.db2.gz OHHCONHYHKSYCY-UHFFFAOYSA-N 0 0 452.507 4.912 20 30 JJEDRN N#Cc1ccccc1OCc1cccc(C(=O)NC[C@H](NCc2ccccc2)C(F)(F)F)c1 ZINC001457812091 1066926218 /nfs/dbraw/zinc/92/62/18/1066926218.db2.gz FNRSLGFWKFKPFH-QHCPKHFHSA-N 0 0 453.464 4.588 20 30 JJEDRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)n1 ZINC001492760245 1066932217 /nfs/dbraw/zinc/93/22/17/1066932217.db2.gz YVMFHCOFYZZBEL-HXUWFJFHSA-N 0 0 465.577 4.591 20 30 JJEDRN Cc1nnc(CCCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)s1 ZINC001492765283 1066936591 /nfs/dbraw/zinc/93/65/91/1066936591.db2.gz BJDVSHSWNLNMGM-MRXNPFEDSA-N 0 0 486.045 4.994 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCc2nnc(C)s2)c(C)n1-c1ccccc1 ZINC001492765740 1066937747 /nfs/dbraw/zinc/93/77/47/1066937747.db2.gz PWSGTIHOEYZBRI-KRWDZBQOSA-N 0 0 474.638 4.884 20 30 JJEDRN CCc1c(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cnn1-c1ccc(Cl)cc1 ZINC001448576304 1066939872 /nfs/dbraw/zinc/93/98/72/1066939872.db2.gz DBPRWRAYRPCAGZ-UHFFFAOYSA-N 0 0 454.361 4.576 20 30 JJEDRN CCCCN1CCc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc21 ZINC001457911520 1066940438 /nfs/dbraw/zinc/94/04/38/1066940438.db2.gz ZZCMMDIJNMMJBB-UHFFFAOYSA-N 0 0 458.522 4.787 20 30 JJEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C ZINC001457952486 1066947151 /nfs/dbraw/zinc/94/71/51/1066947151.db2.gz PXPROGWYJAYKFN-MQCHHMCZSA-N 0 0 470.404 4.591 20 30 JJEDRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccccc1OC(F)(F)F ZINC001492798727 1066952044 /nfs/dbraw/zinc/95/20/44/1066952044.db2.gz LGRWUBGZXRLTDG-UHFFFAOYSA-N 0 0 462.316 4.855 20 30 JJEDRN O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001457987754 1066952923 /nfs/dbraw/zinc/95/29/23/1066952923.db2.gz ZBBZFHLKSRILHF-MRXNPFEDSA-N 0 0 458.139 4.527 20 30 JJEDRN C[C@H]1CCC[C@](C#N)(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)C1 ZINC001457996453 1066954660 /nfs/dbraw/zinc/95/46/60/1066954660.db2.gz OOMPOBGQHSASBG-NYHFZMIOSA-N 0 0 455.971 4.861 20 30 JJEDRN CCCCCCN(O)C(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC ZINC001458009755 1066956368 /nfs/dbraw/zinc/95/63/68/1066956368.db2.gz FGTMTMOAIMOFIG-DHLKQENFSA-N 0 0 454.567 4.986 20 30 JJEDRN C=CCn1cc2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)cc2n1 ZINC001458022464 1066957617 /nfs/dbraw/zinc/95/76/17/1066957617.db2.gz JCPOMIBSFALMIL-VWLOTQADSA-N 0 0 454.530 4.699 20 30 JJEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC001458047727 1066960731 /nfs/dbraw/zinc/96/07/31/1066960731.db2.gz KDNASEQFMYPKBU-INIZCTEOSA-N 0 0 451.239 4.548 20 30 JJEDRN CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C2CCC1(C)CC2)NC(=O)OC(C)(C)C ZINC001546010447 1066968947 /nfs/dbraw/zinc/96/89/47/1066968947.db2.gz MAMKEBQWNRLPSS-GEUIHZRBSA-N 0 0 480.613 4.553 20 30 JJEDRN Cc1cc(Sc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)ncc1C#N ZINC001458079322 1066969220 /nfs/dbraw/zinc/96/92/20/1066969220.db2.gz QBUDBRWZGNBZPP-UHFFFAOYSA-N 0 0 456.522 4.581 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC001545709895 1066969798 /nfs/dbraw/zinc/96/97/98/1066969798.db2.gz NFPCPWZXEODXPQ-CTNGQTDRSA-N 0 0 450.585 4.736 20 30 JJEDRN C=CCn1c(Sc2ccc(Br)c(C(=O)OCC)n2)nnc1-c1cccc(C)c1 ZINC001458089719 1066971527 /nfs/dbraw/zinc/97/15/27/1066971527.db2.gz PFFVZOPIUOLQFL-UHFFFAOYSA-N 0 0 459.369 4.925 20 30 JJEDRN CC(=O)c1ccc(Nc2ccccc2C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC001545718295 1066972330 /nfs/dbraw/zinc/97/23/30/1066972330.db2.gz BXXZTGOEHDNJEU-UHFFFAOYSA-N 0 0 454.530 4.718 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C3CCCC3)C2)c1 ZINC001448993418 1066975751 /nfs/dbraw/zinc/97/57/51/1066975751.db2.gz PMZXBDVPGIZQPS-UHFFFAOYSA-N 0 0 459.011 4.984 20 30 JJEDRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001458118515 1066980697 /nfs/dbraw/zinc/98/06/97/1066980697.db2.gz BTNFSPLKNWJBBX-QFIPXVFZSA-N 0 0 458.518 4.968 20 30 JJEDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC001449149797 1066985365 /nfs/dbraw/zinc/98/53/65/1066985365.db2.gz OCSGXNVFKDUIAX-UHFFFAOYSA-N 0 0 459.521 4.530 20 30 JJEDRN N#Cc1cccc(NC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)CC2)c1 ZINC001458150228 1066988721 /nfs/dbraw/zinc/98/87/21/1066988721.db2.gz ZKOHOZRRROUYHV-UHFFFAOYSA-N 0 0 454.486 4.553 20 30 JJEDRN COc1cc(OC)c2ncc(C#N)c(N[C@@H]3CCN(c4ccc(Br)cc4)C3)c2c1 ZINC001458165634 1066993977 /nfs/dbraw/zinc/99/39/77/1066993977.db2.gz IZBGLULFBMTQGR-MRXNPFEDSA-N 0 0 453.340 4.577 20 30 JJEDRN CC[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC001546012810 1066995116 /nfs/dbraw/zinc/99/51/16/1066995116.db2.gz OVPHIYBDXJLIFC-LJQANCHMSA-N 0 0 489.020 4.554 20 30 JJEDRN C#C[C@H](NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(Cl)cc1F ZINC001449315457 1066998927 /nfs/dbraw/zinc/99/89/27/1066998927.db2.gz JREZYAUCEGFOHW-GOTSBHOMSA-N 0 0 450.897 4.537 20 30 JJEDRN CC[C@H](c1nnc(N2CCC(CC#N)CC2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545738940 1067004331 /nfs/dbraw/zinc/00/43/31/1067004331.db2.gz QNGKWPKXACEXFL-QFIPXVFZSA-N 0 0 466.630 4.865 20 30 JJEDRN O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cnn(CCF)c1 ZINC001458219035 1067006122 /nfs/dbraw/zinc/00/61/22/1067006122.db2.gz MGSXLKSJNQCDNJ-GFCCVEGCSA-N 0 0 451.264 4.924 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545741103 1067007141 /nfs/dbraw/zinc/00/71/41/1067007141.db2.gz JXKKUPNCERFEAV-QPPBQGQZSA-N 0 0 492.565 4.926 20 30 JJEDRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 ZINC001546014653 1067011323 /nfs/dbraw/zinc/01/13/23/1067011323.db2.gz LVXIPEPDFWJWGY-BLKABHOGSA-N 0 0 466.630 4.981 20 30 JJEDRN C[C@H](C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001449575568 1067015700 /nfs/dbraw/zinc/01/57/00/1067015700.db2.gz TYBXCPJMFYKIGR-JXFKEZNVSA-N 0 0 455.580 4.512 20 30 JJEDRN C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC001449700261 1067021645 /nfs/dbraw/zinc/02/16/45/1067021645.db2.gz UQWPKGQVXQGZGG-RTBURBONSA-N 0 0 455.583 4.947 20 30 JJEDRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC001458308009 1067026083 /nfs/dbraw/zinc/02/60/83/1067026083.db2.gz XTKXHCABEIQROE-UHFFFAOYSA-N 0 0 459.569 4.596 20 30 JJEDRN C[C@@H](c1ccccn1)N(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(N(C)C)cc1 ZINC001458311300 1067027126 /nfs/dbraw/zinc/02/71/26/1067027126.db2.gz WLDMLZYSWKLSSC-FPOVZHCZSA-N 0 0 457.553 4.779 20 30 JJEDRN COc1cc(/C=C\C(=O)Nc2nc3c(cc2C#N)CCCC3)ccc1OCc1c(C)noc1C ZINC001458331588 1067032917 /nfs/dbraw/zinc/03/29/17/1067032917.db2.gz AKODAIRBIHETCF-LUAWRHEFSA-N 0 0 458.518 4.676 20 30 JJEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449897952 1067034743 /nfs/dbraw/zinc/03/47/43/1067034743.db2.gz HJTFLZAKEZWPLX-CYXNTTPDSA-N 0 0 462.590 4.790 20 30 JJEDRN N#Cc1cccc(Oc2ccnc(N3CCC[C@H](Nc4cccc(Br)c4)C3)n2)c1 ZINC001458352426 1067039991 /nfs/dbraw/zinc/03/99/91/1067039991.db2.gz DBPDXBVAYLWAOB-IBGZPJMESA-N 0 0 450.340 4.984 20 30 JJEDRN COc1c(N)c(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc(Cl)c1Br ZINC001450016937 1067041724 /nfs/dbraw/zinc/04/17/24/1067041724.db2.gz QMIMMIJYIBAXIA-UHFFFAOYSA-N 0 0 452.736 4.995 20 30 JJEDRN Cc1ccc(C[C@@H](CO)CNc2cc(Br)c(C#N)cc2F)cc1Br ZINC001458377484 1067046267 /nfs/dbraw/zinc/04/62/67/1067046267.db2.gz DXSJKWKXOWFLPF-CYBMUJFWSA-N 0 0 456.153 4.794 20 30 JJEDRN N#Cc1cc(N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)ncc1Br ZINC001458400448 1067052806 /nfs/dbraw/zinc/05/28/06/1067052806.db2.gz IDFGSFYROSMQHC-GHTZIAJQSA-N 0 0 454.299 4.718 20 30 JJEDRN O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001458402231 1067053351 /nfs/dbraw/zinc/05/33/51/1067053351.db2.gz CAXNMOHRZHSGIL-AWEZNQCLSA-N 0 0 453.289 4.988 20 30 JJEDRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)SC ZINC001545768207 1067053784 /nfs/dbraw/zinc/05/37/84/1067053784.db2.gz PBIMZLXQOOTGFV-UHFFFAOYSA-N 0 0 466.655 4.503 20 30 JJEDRN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)nn1-c1cccc(C#N)c1 ZINC001450143522 1067054182 /nfs/dbraw/zinc/05/41/82/1067054182.db2.gz KQUIMMJLDISWKS-KSFYIVLOSA-N 0 0 454.452 4.673 20 30 JJEDRN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001458438982 1067060516 /nfs/dbraw/zinc/06/05/16/1067060516.db2.gz WMLIKLOPDXYKPP-TZMCWYRMSA-N 0 0 450.753 4.619 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1)SC ZINC001545774056 1067064776 /nfs/dbraw/zinc/06/47/76/1067064776.db2.gz CHCTZLHWTLTUME-UHFFFAOYSA-N 0 0 481.695 4.517 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)SC ZINC001545774161 1067065261 /nfs/dbraw/zinc/06/52/61/1067065261.db2.gz FYMVWTDRCUQEKA-HXUWFJFHSA-N 0 0 459.063 4.697 20 30 JJEDRN C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001458451382 1067065924 /nfs/dbraw/zinc/06/59/24/1067065924.db2.gz WICRKOSTTNEYGA-HNNXBMFYSA-N 0 0 454.935 4.898 20 30 JJEDRN C#C[C@@H](NC(=O)CSc1nccn1-c1ccc(C)c(C)c1)c1ccc(Br)cc1 ZINC001450273086 1067067789 /nfs/dbraw/zinc/06/77/89/1067067789.db2.gz OHFFDPVXVCVCPM-HXUWFJFHSA-N 0 0 454.393 4.834 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccon1)NC(=O)OC(C)(C)C ZINC001545775637 1067068994 /nfs/dbraw/zinc/06/89/94/1067068994.db2.gz FRDGSHORMLPYCY-UHFFFAOYSA-N 0 0 479.585 4.525 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C ZINC001545776215 1067070783 /nfs/dbraw/zinc/07/07/83/1067070783.db2.gz ZVIMVDFHJGWGER-DEOSSOPVSA-N 0 0 470.593 4.779 20 30 JJEDRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C ZINC001545791501 1067089405 /nfs/dbraw/zinc/08/94/05/1067089405.db2.gz 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CCc1ccc([C@@H](NC(=O)CN2CCCN(c3ccccc3C#N)CC2)c2cccs2)cc1 ZINC001459440354 1067325346 /nfs/dbraw/zinc/32/53/46/1067325346.db2.gz SJNVLSSIDPLMTP-HHHXNRCGSA-N 0 0 458.631 4.600 20 30 JJEDRN N#Cc1cccc(S(=O)(=O)CCN(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 ZINC001459464836 1067331579 /nfs/dbraw/zinc/33/15/79/1067331579.db2.gz IMKIKMSLQVBAIP-UHFFFAOYSA-N 0 0 452.498 4.675 20 30 JJEDRN N#Cc1ccc(CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1Cl ZINC001459476063 1067334945 /nfs/dbraw/zinc/33/49/45/1067334945.db2.gz MKNGAOPMMMNYPP-UHFFFAOYSA-N 0 0 457.283 4.812 20 30 JJEDRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001459478094 1067335378 /nfs/dbraw/zinc/33/53/78/1067335378.db2.gz OPBNJKNSGOKTEG-UHFFFAOYSA-N 0 0 457.759 4.766 20 30 JJEDRN Cc1cccc(N(CCC#N)C(=O)CN(C)CC2(c3ccc(Br)cc3)CC2)c1C ZINC001459533388 1067347099 /nfs/dbraw/zinc/34/70/99/1067347099.db2.gz ZDCIUKWVTFIDAL-UHFFFAOYSA-N 0 0 454.412 4.976 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC001459561753 1067351977 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N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCc1cc(Br)c(Br)s1 ZINC001459750142 1067405987 /nfs/dbraw/zinc/40/59/87/1067405987.db2.gz ZIIPIUFJMBXMCU-OAHLLOKOSA-N 0 0 454.187 4.881 20 30 JJEDRN Cc1sc(NC(=O)CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c(C#N)c1C ZINC001459752653 1067406947 /nfs/dbraw/zinc/40/69/47/1067406947.db2.gz HHKZZVZUZHAZIA-UHFFFAOYSA-N 0 0 452.502 4.543 20 30 JJEDRN N#Cc1ccc(OC2CCN(C(=O)c3ccc(OC(F)F)c(Br)c3)CC2)cc1 ZINC001459788022 1067422918 /nfs/dbraw/zinc/42/29/18/1067422918.db2.gz OHXQAHXASMNKCL-UHFFFAOYSA-N 0 0 451.267 4.606 20 30 JJEDRN CCc1c(NC(=O)COc2ccc(C#N)c(Br)c2)cnn1-c1cccc(Cl)c1 ZINC001459792508 1067425623 /nfs/dbraw/zinc/42/56/23/1067425623.db2.gz WVNKZEGEPNHPOP-UHFFFAOYSA-N 0 0 459.731 4.740 20 30 JJEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001459823973 1067440217 /nfs/dbraw/zinc/44/02/17/1067440217.db2.gz GCRURSYIVFKVFB-HNNXBMFYSA-N 0 0 451.518 4.572 20 30 JJEDRN COC[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC001459838415 1067447539 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JJEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC001460045115 1067537819 /nfs/dbraw/zinc/53/78/19/1067537819.db2.gz BAJZQCLCGXYTML-LJQANCHMSA-N 0 0 451.785 4.858 20 30 JJEDRN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001460046012 1067538381 /nfs/dbraw/zinc/53/83/81/1067538381.db2.gz JSNYQUATMZIZQA-QRWLVFNGSA-N 0 0 450.892 4.568 20 30 JJEDRN CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)c2)C1=O ZINC001460063811 1067543714 /nfs/dbraw/zinc/54/37/14/1067543714.db2.gz VFKHAHZACYUMDV-JOCHJYFZSA-N 0 0 454.486 4.746 20 30 JJEDRN CC(=O)c1cc(C#N)ccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001460132807 1067561256 /nfs/dbraw/zinc/56/12/56/1067561256.db2.gz UZDIMSMDGHGQBW-UHFFFAOYSA-N 0 0 450.848 4.683 20 30 JJEDRN C=CCn1c(SCC(=O)NC2CCC(OC(F)F)CC2)nnc1-c1ccc(Cl)cc1 ZINC001460141035 1067563493 /nfs/dbraw/zinc/56/34/93/1067563493.db2.gz FOWZPDDOIAEFGI-UHFFFAOYSA-N 0 0 456.946 4.543 20 30 JJEDRN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1CCCc2cc(C#N)ccc21 ZINC001460173866 1067570565 /nfs/dbraw/zinc/57/05/65/1067570565.db2.gz WFQNMZWHIXOXPQ-FQEVSTJZSA-N 0 0 452.558 4.783 20 30 JJEDRN COC(=O)c1ccc(Br)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001460259128 1067593019 /nfs/dbraw/zinc/59/30/19/1067593019.db2.gz UTLMTMVDPZQUIG-UHFFFAOYSA-N 0 0 455.264 4.532 20 30 JJEDRN C[C@@H](C#N)N(CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC001460281692 1067597555 /nfs/dbraw/zinc/59/75/55/1067597555.db2.gz YIUSPCPBGBKURK-KKSFZXQISA-N 0 0 458.509 4.782 20 30 JJEDRN Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC001460301891 1067602260 /nfs/dbraw/zinc/60/22/60/1067602260.db2.gz PULJDOSUUYZTSI-UHFFFAOYSA-N 0 0 456.453 4.647 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc(Br)cc2C#N)[C@@H]1C(F)(F)F ZINC001460306076 1067603751 /nfs/dbraw/zinc/60/37/51/1067603751.db2.gz ZYVAVVCWTKSRLP-GUYCJALGSA-N 0 0 476.337 4.988 20 30 JJEDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@H](CCCC#N)c3ccccc3)c2)C1 ZINC001460433890 1067633881 /nfs/dbraw/zinc/63/38/81/1067633881.db2.gz AQLBZHVFILAPGR-YOSAUDMPSA-N 0 0 453.608 4.518 20 30 JJEDRN CN(C(=O)CN1CCC(Nc2ccccc2C#N)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001460546886 1067654390 /nfs/dbraw/zinc/65/43/90/1067654390.db2.gz QYICZXRNYKCJLK-NDEPHWFRSA-N 0 0 456.565 4.822 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611849 1067671762 /nfs/dbraw/zinc/67/17/62/1067671762.db2.gz UBIDXFFSCCYHQR-FCHUYYIVSA-N 0 0 456.631 4.708 20 30 JJEDRN Cc1cc(C(C)(C)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)ccc1Br ZINC001460613090 1067673074 /nfs/dbraw/zinc/67/30/74/1067673074.db2.gz CGDNAKFGPRPTHV-QGZVFWFLSA-N 0 0 452.393 4.696 20 30 JJEDRN Cc1cc(C(C)(C)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)ccc1Br ZINC001460619646 1067674495 /nfs/dbraw/zinc/67/44/95/1067674495.db2.gz TZXHKODNCIPWGS-UHFFFAOYSA-N 0 0 456.384 4.836 20 30 JJEDRN C=CCN1C(=O)c2ccc(C(=O)Oc3c(Cl)cc(Cl)cc3Br)cc2C1=O ZINC001460625668 1067676768 /nfs/dbraw/zinc/67/67/68/1067676768.db2.gz NADZXFGHKICVDA-UHFFFAOYSA-N 0 0 455.091 4.757 20 30 JJEDRN N#Cc1cc(Oc2ccc(NC(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)cc2)ccn1 ZINC001460636556 1067680379 /nfs/dbraw/zinc/68/03/79/1067680379.db2.gz BZFIPCLAWHVUGH-UHFFFAOYSA-N 0 0 457.417 4.669 20 30 JJEDRN Cc1c(Br)cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1[N+](=O)[O-] ZINC001460640611 1067682129 /nfs/dbraw/zinc/68/21/29/1067682129.db2.gz KRMAHQJCCGUGIY-UHFFFAOYSA-N 0 0 453.252 4.977 20 30 JJEDRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCN(c2ccccc2F)C1 ZINC001460643787 1067683644 /nfs/dbraw/zinc/68/36/44/1067683644.db2.gz QFMLTGKIAMILTN-AWEZNQCLSA-N 0 0 450.354 4.637 20 30 JJEDRN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001460647549 1067685182 /nfs/dbraw/zinc/68/51/82/1067685182.db2.gz MNPXMYIXUOROEY-MRXNPFEDSA-N 0 0 450.901 4.889 20 30 JJEDRN COC(=O)c1cc(Br)c(CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1OC ZINC001460674233 1067695964 /nfs/dbraw/zinc/69/59/64/1067695964.db2.gz KHCFOHYLQWSGQK-KRWDZBQOSA-N 0 0 457.246 4.509 20 30 JJEDRN N#Cc1cccc([C@H](NCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C(F)(F)F)c1 ZINC001460677819 1067697662 /nfs/dbraw/zinc/69/76/62/1067697662.db2.gz PFEWKTKFURHQNV-GOTSBHOMSA-N 0 0 455.505 4.987 20 30 JJEDRN CC[C@@H](c1ccc(F)cc1)N1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC001460727028 1067710716 /nfs/dbraw/zinc/71/07/16/1067710716.db2.gz DFSPOZPUSXSJLD-XXBNENTESA-N 0 0 454.615 4.785 20 30 JJEDRN C=CCc1cc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc(OC)c1OC ZINC001460740150 1067712970 /nfs/dbraw/zinc/71/29/70/1067712970.db2.gz LERUAVQQCANYTE-UHFFFAOYSA-N 0 0 458.599 4.686 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cc3ccccc3n2CC#N)C1 ZINC001460766564 1067719872 /nfs/dbraw/zinc/71/98/72/1067719872.db2.gz QKARDPMZEDOXND-IRLDBZIGSA-N 0 0 450.583 4.807 20 30 JJEDRN C#C[C@H](NC(=O)[C@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC)c1ccc(Br)cc1 ZINC001460783342 1067722948 /nfs/dbraw/zinc/72/29/48/1067722948.db2.gz BTMMEVZZYDXGHY-GBESFXJTSA-N 0 0 459.340 4.503 20 30 JJEDRN C#C[C@H](NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)c1ccc(Br)cc1 ZINC001460787246 1067723620 /nfs/dbraw/zinc/72/36/20/1067723620.db2.gz PQISFYWQZIEWNE-FQEVSTJZSA-N 0 0 453.336 4.506 20 30 JJEDRN C#C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001460794984 1067724924 /nfs/dbraw/zinc/72/49/24/1067724924.db2.gz VDJXLRUGSWUUKQ-IRLDBZIGSA-N 0 0 451.954 4.748 20 30 JJEDRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Oc2cccc(OCC#N)c2)cc1 ZINC001460846591 1067734300 /nfs/dbraw/zinc/73/43/00/1067734300.db2.gz FJAYTBOGEBWFNR-UHFFFAOYSA-N 0 0 453.541 4.753 20 30 JJEDRN C#Cc1cccc(CNC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001460890912 1067744432 /nfs/dbraw/zinc/74/44/32/1067744432.db2.gz WTSJJKWSIWOEOY-UHFFFAOYSA-N 0 0 452.432 4.634 20 30 JJEDRN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001460984772 1067757213 /nfs/dbraw/zinc/75/72/13/1067757213.db2.gz SARDUUFSLBECME-RTWAWAEBSA-N 0 0 459.468 4.689 20 30 JJEDRN O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001460994388 1067759339 /nfs/dbraw/zinc/75/93/39/1067759339.db2.gz ZPFFOERGGOEGBX-AWEZNQCLSA-N 0 0 451.338 4.936 20 30 JJEDRN N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)c1Br ZINC001461024177 1067764038 /nfs/dbraw/zinc/76/40/38/1067764038.db2.gz KFVYMCDIIWZZQC-UHFFFAOYSA-N 0 0 455.333 4.547 20 30 JJEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1Br ZINC001461025133 1067764092 /nfs/dbraw/zinc/76/40/92/1067764092.db2.gz NGYPIRMKPAAIPW-UHFFFAOYSA-N 0 0 452.761 4.527 20 30 JJEDRN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC001461082736 1067778117 /nfs/dbraw/zinc/77/81/17/1067778117.db2.gz ZOXBETXHUABWRT-OOWUWCJESA-N 0 0 453.564 4.508 20 30 JJEDRN N#Cc1cc(Br)c(OC(=O)CCCOc2ccccc2F)c(Br)c1 ZINC001461146755 1067789117 /nfs/dbraw/zinc/78/91/17/1067789117.db2.gz FGXYSGITYXVDOD-UHFFFAOYSA-N 0 0 457.093 4.987 20 30 JJEDRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2Cc3ccc(C#N)cc3C2)c1 ZINC001461183170 1067794543 /nfs/dbraw/zinc/79/45/43/1067794543.db2.gz VYIRCLMUTTZQDN-UHFFFAOYSA-N 0 0 459.571 4.710 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1 ZINC001461190302 1067796007 /nfs/dbraw/zinc/79/60/07/1067796007.db2.gz FRWQCKOBMZCRBD-HSZRJFAPSA-N 0 0 457.530 4.737 20 30 JJEDRN N#Cc1cccc(COc2cccc(CNc3cccc(C(=O)N4CCC[C@@H](CO)C4)c3)c2)c1 ZINC001461312942 1067826090 /nfs/dbraw/zinc/82/60/90/1067826090.db2.gz JQDGOEOVPMPCGM-XMMPIXPASA-N 0 0 455.558 4.594 20 30 JJEDRN N#Cc1ccc(-n2ccc(NCc3cc(Br)c4c(c3)OCCCO4)n2)c(Cl)c1 ZINC001461376552 1067841453 /nfs/dbraw/zinc/84/14/53/1067841453.db2.gz AWQMFKQNYQDDGB-UHFFFAOYSA-N 0 0 459.731 4.933 20 30 JJEDRN C=CCOc1ccc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)cc1 ZINC001461470991 1067865727 /nfs/dbraw/zinc/86/57/27/1067865727.db2.gz ANFDNNQXWPZDSB-DQEYMECFSA-N 0 0 480.605 4.712 20 30 JJEDRN C=CCOc1c(Cl)cc(CNc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)cc1OC ZINC001461494943 1067875763 /nfs/dbraw/zinc/87/57/63/1067875763.db2.gz NOJVDVZHSBZTCH-UHFFFAOYSA-N 0 0 453.004 4.863 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N(c3ccccc3C#N)C3CCC3)o2)CC1 ZINC001461558002 1067888162 /nfs/dbraw/zinc/88/81/62/1067888162.db2.gz HLPYUPPKFWLRGY-UHFFFAOYSA-N 0 0 450.539 4.860 20 30 JJEDRN C[C@H]1CN(C(=O)c2ccc(NCc3cccc(OCc4ccccc4C#N)c3)cc2)C[C@H](C)O1 ZINC001461563213 1067888868 /nfs/dbraw/zinc/88/88/68/1067888868.db2.gz FCWVGMDFGHINKP-SFTDATJTSA-N 0 0 455.558 4.999 20 30 JJEDRN CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 ZINC001546125709 1067901617 /nfs/dbraw/zinc/90/16/17/1067901617.db2.gz JSUPPTILJWNCKL-DVECYGJZSA-N 0 0 455.578 4.894 20 30 JJEDRN C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001461653638 1067910900 /nfs/dbraw/zinc/91/09/00/1067910900.db2.gz VRMFFAOUWHRTGM-XLIONFOSSA-N 0 0 450.539 4.511 20 30 JJEDRN CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@H](C#N)C2)CCC1 ZINC001546126381 1067921261 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JJEDRN N#CCn1c(C(=O)Nc2cc(F)c(Cl)cc2I)cc2ccccc21 ZINC001461947673 1067966797 /nfs/dbraw/zinc/96/67/97/1067966797.db2.gz VEGCPSCIVMFJBS-UHFFFAOYSA-N 0 0 453.642 4.814 20 30 JJEDRN N#Cc1c(F)cccc1N1CCN(Cc2cc(Br)ccc2Br)CC1 ZINC001461974866 1067973000 /nfs/dbraw/zinc/97/30/00/1067973000.db2.gz CGBKJKADVGLBRP-UHFFFAOYSA-N 0 0 453.153 4.545 20 30 JJEDRN C#CCN(Cc1c(O)cccc1Br)[C@@H]1CCOc2ccc(Br)cc21 ZINC001461987094 1067976020 /nfs/dbraw/zinc/97/60/20/1067976020.db2.gz OPJKEPTXTYSKFE-QGZVFWFLSA-N 0 0 451.158 4.876 20 30 JJEDRN O=C(c1nnn(-c2cccc(F)c2)c1C(F)(F)F)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001462109648 1068005884 /nfs/dbraw/zinc/00/58/84/1068005884.db2.gz NBRSSLKEUQFLRP-UHFFFAOYSA-N 0 0 458.337 4.643 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)C(=O)OCC ZINC001462154892 1068018018 /nfs/dbraw/zinc/01/80/18/1068018018.db2.gz KTTCZLMNBBWACO-GOSISDBHSA-N 0 0 450.366 4.599 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC001462220372 1068031244 /nfs/dbraw/zinc/03/12/44/1068031244.db2.gz IDDVFIVYDUFVSE-BGYRXZFFSA-N 0 0 456.995 4.760 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(F)c(C(=O)c2ccccc2)c1 ZINC001462301647 1068047331 /nfs/dbraw/zinc/04/73/31/1068047331.db2.gz NWZDFYUUQJSKFL-UHFFFAOYSA-N 0 0 453.267 4.708 20 30 JJEDRN CCc1c(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)nnn1-c1ccc(OC(C)C)cc1 ZINC001462372328 1068062215 /nfs/dbraw/zinc/06/22/15/1068062215.db2.gz OHSFQMPOIGHSKY-OAQYLSRUSA-N 0 0 457.456 4.522 20 30 JJEDRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)s2)cc1 ZINC001462375856 1068062673 /nfs/dbraw/zinc/06/26/73/1068062673.db2.gz ZFRJWDQIYGLEIE-LJQANCHMSA-N 0 0 459.449 4.914 20 30 JJEDRN COc1ccc(CNC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)cc1C#N ZINC001462457307 1068078775 /nfs/dbraw/zinc/07/87/75/1068078775.db2.gz HYBMHOVHCHJBHC-UHFFFAOYSA-N 0 0 450.336 4.993 20 30 JJEDRN COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001462470128 1068080820 /nfs/dbraw/zinc/08/08/20/1068080820.db2.gz JZWOUGGIYQOEGP-RUZDIDTESA-N 0 0 450.441 4.533 20 30 JJEDRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 ZINC001546132280 1068093607 /nfs/dbraw/zinc/09/36/07/1068093607.db2.gz CBKPHRSITLXLSX-OAQYLSRUSA-N 0 0 452.361 4.901 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC001462629793 1068117437 /nfs/dbraw/zinc/11/74/37/1068117437.db2.gz XIXZSTVJQRLWMV-JOCHJYFZSA-N 0 0 450.583 4.855 20 30 JJEDRN CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OC(C)(C)C)CC2)CCOCC1 ZINC001546133991 1068151295 /nfs/dbraw/zinc/15/12/95/1068151295.db2.gz HUKJZSFIEKEQBP-UHFFFAOYSA-N 0 0 451.615 4.807 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(C#N)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC001462780458 1068166474 /nfs/dbraw/zinc/16/64/74/1068166474.db2.gz RGZCCBPZKJXAGY-SFHVURJKSA-N 0 0 451.420 4.598 20 30 JJEDRN COc1cc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)ccc1OCc1ccccc1 ZINC001462871766 1068198377 /nfs/dbraw/zinc/19/83/77/1068198377.db2.gz OLCMCQLUIPEQCH-MRXNPFEDSA-N 0 0 456.951 4.839 20 30 JJEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC001462873692 1068198431 /nfs/dbraw/zinc/19/84/31/1068198431.db2.gz TZDKZWHXHPTYLC-MRXNPFEDSA-N 0 0 459.287 4.865 20 30 JJEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC001462873687 1068198469 /nfs/dbraw/zinc/19/84/69/1068198469.db2.gz TZDKZWHXHPTYLC-INIZCTEOSA-N 0 0 459.287 4.865 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc1Br ZINC001462877394 1068200266 /nfs/dbraw/zinc/20/02/66/1068200266.db2.gz LJTOCPKBRQYUCV-UHFFFAOYSA-N 0 0 451.361 4.983 20 30 JJEDRN N#Cc1ccc(OCC(=O)N=S(=O)(c2ccccc2)c2ccccc2)cc1Br ZINC001462888943 1068204395 /nfs/dbraw/zinc/20/43/95/1068204395.db2.gz QTCNUIXLXBFGHY-UHFFFAOYSA-N 0 0 455.333 4.812 20 30 JJEDRN COc1ccc(C2(CNS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CCCCC2)cc1 ZINC001462895972 1068207160 /nfs/dbraw/zinc/20/71/60/1068207160.db2.gz FDHYNRFOZDVLPZ-UHFFFAOYSA-N 0 0 452.498 4.766 20 30 JJEDRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)C(C)(C)CC3)cc1 ZINC001462937148 1068221513 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JTJBQARGKFSFME-IBGZPJMESA-N 0 0 453.514 4.838 20 30 JJEDRN COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)Cc3c(C)cc(C#N)cc3C)s2)cc1 ZINC001463107189 1068289544 /nfs/dbraw/zinc/28/95/44/1068289544.db2.gz IIUGYNSMRKPOSP-KRWDZBQOSA-N 0 0 455.605 4.796 20 30 JJEDRN C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ccc(C)cc1Cl ZINC001463113006 1068291188 /nfs/dbraw/zinc/29/11/88/1068291188.db2.gz MZTQVMWOSNXQEV-KRWDZBQOSA-N 0 0 454.773 4.559 20 30 JJEDRN N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3c(F)cccc3Br)c2)s1 ZINC001463138291 1068299618 /nfs/dbraw/zinc/29/96/18/1068299618.db2.gz PMVUFGVWAVVJPQ-UHFFFAOYSA-N 0 0 451.342 4.667 20 30 JJEDRN COCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc21 ZINC001463138565 1068299771 /nfs/dbraw/zinc/29/97/71/1068299771.db2.gz XFUQSCOVADIHBY-UHFFFAOYSA-N 0 0 457.555 4.887 20 30 JJEDRN O=C(c1ccc(Cn2cccc2)cc1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463150394 1068304020 /nfs/dbraw/zinc/30/40/20/1068304020.db2.gz RFAMEZKHPMJSSX-HUUCEWRRSA-N 0 0 452.345 4.779 20 30 JJEDRN Cc1cc(S(=O)(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)ccc1C#N ZINC001463150742 1068304436 /nfs/dbraw/zinc/30/44/36/1068304436.db2.gz VFHRQAZWFMVTCZ-UHFFFAOYSA-N 0 0 455.580 4.558 20 30 JJEDRN Cc1cc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)oc1Br ZINC001463157113 1068306091 /nfs/dbraw/zinc/30/60/91/1068306091.db2.gz WYOOXKQCFFYSQK-RNFRBKRXSA-N 0 0 456.127 4.594 20 30 JJEDRN CC1CCN(c2ccc(F)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC001463156410 1068306108 /nfs/dbraw/zinc/30/61/08/1068306108.db2.gz URXZNACNRGLHMR-KRWDZBQOSA-N 0 0 454.933 4.579 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@H]2CCS[C@@H](C)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001463189875 1068314956 /nfs/dbraw/zinc/31/49/56/1068314956.db2.gz GSZVRWGZNBNLTM-JSGCOSHPSA-N 0 0 457.452 4.930 20 30 JJEDRN N#Cc1cc(F)cc(S(=O)(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1 ZINC001463196878 1068317058 /nfs/dbraw/zinc/31/70/58/1068317058.db2.gz XQAASASUPMNWBT-UHFFFAOYSA-N 0 0 450.413 4.987 20 30 JJEDRN CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC001463209032 1068320844 /nfs/dbraw/zinc/32/08/44/1068320844.db2.gz KDNYDYABUXMOOX-UHFFFAOYSA-N 0 0 456.365 4.594 20 30 JJEDRN CSc1cccc([C@H](NS(=O)(=O)Cc2ccc(CC#N)cc2)c2cc(F)ccc2F)c1 ZINC001463219123 1068323793 /nfs/dbraw/zinc/32/37/93/1068323793.db2.gz JRPVECTWLSLTQF-QHCPKHFHSA-N 0 0 458.555 4.962 20 30 JJEDRN COc1c(Br)c(C)sc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001546137732 1068342512 /nfs/dbraw/zinc/34/25/12/1068342512.db2.gz CHHXDKQRFMSIHT-UHFFFAOYSA-N 0 0 451.733 4.791 20 30 JJEDRN Cn1ccnc1[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(F)c(F)c1 ZINC001463286042 1068344678 /nfs/dbraw/zinc/34/46/78/1068344678.db2.gz HYZGAMMLMCSFRE-XMMPIXPASA-N 0 0 458.468 4.668 20 30 JJEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC001463323180 1068356138 /nfs/dbraw/zinc/35/61/38/1068356138.db2.gz KWFWHBDXTGWKSR-UHFFFAOYSA-N 0 0 451.361 4.636 20 30 JJEDRN N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(Br)cc1Br ZINC001463323436 1068356513 /nfs/dbraw/zinc/35/65/13/1068356513.db2.gz QYOAQDHTUNQQES-UHFFFAOYSA-N 0 0 451.523 4.504 20 30 JJEDRN CCc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1 ZINC001463331962 1068359238 /nfs/dbraw/zinc/35/92/38/1068359238.db2.gz VSBXFJBDKWIVIF-CQSZACIVSA-N 0 0 452.561 4.733 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CCCCC2)cc1Br ZINC001463358786 1068370275 /nfs/dbraw/zinc/37/02/75/1068370275.db2.gz IIHSSUXIPAOJCY-UHFFFAOYSA-N 0 0 451.361 4.983 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)N2CCCCc3c(Br)cccc32)cc1C(F)(F)F ZINC001463386453 1068380140 /nfs/dbraw/zinc/38/01/40/1068380140.db2.gz DDTKBYBKRYFSSA-UHFFFAOYSA-N 0 0 459.287 4.871 20 30 JJEDRN CC(C)Oc1ccc2ccccc2c1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC001463466455 1068410015 /nfs/dbraw/zinc/41/00/15/1068410015.db2.gz LDFXVPASQPEJGJ-UHFFFAOYSA-N 0 0 459.365 4.740 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)N2CC=C(c3cccc4ccccc43)C2)cc1Br ZINC001463466565 1068410129 /nfs/dbraw/zinc/41/01/29/1068410129.db2.gz LZLSTYFDELFWBT-UHFFFAOYSA-N 0 0 457.324 4.701 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001463474391 1068413698 /nfs/dbraw/zinc/41/36/98/1068413698.db2.gz DWFNDEOMHJXWTM-SMDDNHRTSA-N 0 0 454.151 4.926 20 30 JJEDRN COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001463529968 1068429404 /nfs/dbraw/zinc/42/94/04/1068429404.db2.gz WENSKZIXDSHHNZ-NSHDSACASA-N 0 0 451.367 4.584 20 30 JJEDRN C=C(C)[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)c1ccc(F)c(F)c1 ZINC001463555232 1068439948 /nfs/dbraw/zinc/43/99/48/1068439948.db2.gz QYBKRFOPAVCSRT-JOCHJYFZSA-N 0 0 454.502 4.603 20 30 JJEDRN N#Cc1cc(S(=O)(=O)Oc2cc(F)c(Cl)cc2Br)ccc1C(F)(F)F ZINC001463595046 1068459558 /nfs/dbraw/zinc/45/95/58/1068459558.db2.gz ZKGMICLPWBONGC-UHFFFAOYSA-N 0 0 458.614 4.900 20 30 JJEDRN N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001463609899 1068465442 /nfs/dbraw/zinc/46/54/42/1068465442.db2.gz QTLXLCNJFMUDMS-MQMHXKEQSA-N 0 0 459.287 4.564 20 30 JJEDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001463731299 1068507051 /nfs/dbraw/zinc/50/70/51/1068507051.db2.gz RAVXZIGPJDDSQG-UHFFFAOYSA-N 0 0 457.277 4.753 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(C#CC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC001463747690 1068511516 /nfs/dbraw/zinc/51/15/16/1068511516.db2.gz XJXAGOWZFYURAG-UHFFFAOYSA-N 0 0 454.548 4.556 20 30 JJEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)c1C ZINC001463757403 1068514173 /nfs/dbraw/zinc/51/41/73/1068514173.db2.gz XJDJCOCJLSUJFL-QGZVFWFLSA-N 0 0 453.571 4.591 20 30 JJEDRN CCc1oc2ccccc2c1CN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N ZINC001463773625 1068520565 /nfs/dbraw/zinc/52/05/65/1068520565.db2.gz DNUATGCISPLIIU-ZDPBTNRZSA-N 0 0 451.567 4.740 20 30 JJEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC001463825913 1068537749 /nfs/dbraw/zinc/53/77/49/1068537749.db2.gz MBZPMWPJVSTINN-UHFFFAOYSA-N 0 0 451.445 4.766 20 30 JJEDRN C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001463885477 1068555681 /nfs/dbraw/zinc/55/56/81/1068555681.db2.gz BASHEUFMRXKIBV-UHFFFAOYSA-N 0 0 450.560 4.633 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc4ccc(OC)cc4nc3C)c2)c1 ZINC001463900506 1068560052 /nfs/dbraw/zinc/56/00/52/1068560052.db2.gz ZSPUDHHXACQJLV-UHFFFAOYSA-N 0 0 450.494 4.991 20 30 JJEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001463905726 1068561185 /nfs/dbraw/zinc/56/11/85/1068561185.db2.gz CJIARDBIQYYTMG-QHCPKHFHSA-N 0 0 459.343 4.841 20 30 JJEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccs2)c2ccc(CCC)cc2)c1 ZINC001463912381 1068562906 /nfs/dbraw/zinc/56/29/06/1068562906.db2.gz OQDYVIMBUWZVKJ-HSZRJFAPSA-N 0 0 454.617 4.684 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)s1 ZINC001463934297 1068569735 /nfs/dbraw/zinc/56/97/35/1068569735.db2.gz FYSIXCILMCBNPI-JTQLQIEISA-N 0 0 453.305 4.632 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC001463934372 1068570201 /nfs/dbraw/zinc/57/02/01/1068570201.db2.gz IJNNQAGAZKOCMC-CYBMUJFWSA-N 0 0 456.873 4.836 20 30 JJEDRN CCCc1ccccc1S(=O)(=O)Oc1c(Br)cc(C#N)cc1Br ZINC001463962346 1068575871 /nfs/dbraw/zinc/57/58/71/1068575871.db2.gz IHPXTHSCLATHFR-UHFFFAOYSA-N 0 0 459.159 4.803 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC001464016027 1068589515 /nfs/dbraw/zinc/58/95/15/1068589515.db2.gz ABKZUTOSYDPIOV-QGZVFWFLSA-N 0 0 450.944 4.636 20 30 JJEDRN C[C@H](NC(=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC001464070254 1068605026 /nfs/dbraw/zinc/60/50/26/1068605026.db2.gz VVDAMETYHFTIFT-ZDUSSCGKSA-N 0 0 452.308 4.578 20 30 JJEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)c3ncc(C=O)n3c2)cc1 ZINC001464133572 1068628493 /nfs/dbraw/zinc/62/84/93/1068628493.db2.gz CRZPSGGJAHTXIF-HXUWFJFHSA-N 0 0 459.303 4.817 20 30 JJEDRN N#Cc1ccccc1COc1ccc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1 ZINC001464166602 1068640922 /nfs/dbraw/zinc/64/09/22/1068640922.db2.gz LKTDQEUEBNEPCH-UHFFFAOYSA-N 0 0 454.452 4.783 20 30 JJEDRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2N1 ZINC001464188269 1068648320 /nfs/dbraw/zinc/64/83/20/1068648320.db2.gz JMGNICCVGTYUQR-JLTOFOAXSA-N 0 0 455.440 4.894 20 30 JJEDRN C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1c(C)c(C)nn1C ZINC001464212077 1068659920 /nfs/dbraw/zinc/65/99/20/1068659920.db2.gz BFNNTYPYYLJYOH-XMMPIXPASA-N 0 0 458.562 4.849 20 30 JJEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2c3ccccc3C[C@H]2Cc2ccccc2)c1 ZINC001464232830 1068667692 /nfs/dbraw/zinc/66/76/92/1068667692.db2.gz XAVSQIANGVSWQW-HXUWFJFHSA-N 0 0 453.361 4.683 20 30 JJEDRN O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC001464248164 1068674692 /nfs/dbraw/zinc/67/46/92/1068674692.db2.gz GZDUDTYVTKPRHT-GHXNOFRVSA-N 0 0 454.860 4.769 20 30 JJEDRN C=CCC[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)c1ccccc1 ZINC001464323367 1068705655 /nfs/dbraw/zinc/70/56/55/1068705655.db2.gz VNVDUHULAYXKDV-HXUWFJFHSA-N 0 0 456.384 4.771 20 30 JJEDRN C=CCCC[C@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)c1ccccc1 ZINC001464383637 1068726403 /nfs/dbraw/zinc/72/64/03/1068726403.db2.gz TWUIFSAUVACAMB-SFHVURJKSA-N 0 0 452.370 4.695 20 30 JJEDRN CC(C)(C#N)c1ccc(S(=O)(=O)NC2(c3cc(Cl)cc(Br)c3)CC2)cc1 ZINC001464389357 1068728270 /nfs/dbraw/zinc/72/82/70/1068728270.db2.gz CICCQYMLLQJJHS-UHFFFAOYSA-N 0 0 453.789 4.871 20 30 JJEDRN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)C1 ZINC001546147017 1068748966 /nfs/dbraw/zinc/74/89/66/1068748966.db2.gz HDRQWZPWIZLJSF-INIZCTEOSA-N 0 0 456.359 4.692 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCSCc2cccc3ccccc32)CC1 ZINC001464460110 1068754473 /nfs/dbraw/zinc/75/44/73/1068754473.db2.gz RSYAXXUWSYAMAN-UHFFFAOYSA-N 0 0 452.620 4.840 20 30 JJEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC001464500678 1068766778 /nfs/dbraw/zinc/76/67/78/1068766778.db2.gz RBSPCLZEUKOBKY-UHFFFAOYSA-N 0 0 459.933 4.531 20 30 JJEDRN CCCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H](C)c1ccccc1OC ZINC001464522843 1068772257 /nfs/dbraw/zinc/77/22/57/1068772257.db2.gz FOLIMENZMRIPHU-MRXNPFEDSA-N 0 0 456.384 4.765 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)C2)C1 ZINC001546147625 1068772786 /nfs/dbraw/zinc/77/27/86/1068772786.db2.gz SHMQOUOROYSHRW-NDLXZQMNSA-N 0 0 455.574 4.709 20 30 JJEDRN COc1ccc(C#N)cc1NC(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464540013 1068776154 /nfs/dbraw/zinc/77/61/54/1068776154.db2.gz FCFWNYQAHZCDHB-KRWDZBQOSA-N 0 0 455.514 4.680 20 30 JJEDRN Cc1c([C@@H](C)NC(=O)c2cccc(CNc3ncccc3C#N)c2)cnn1-c1ccc(F)cc1 ZINC001464604345 1068797062 /nfs/dbraw/zinc/79/70/62/1068797062.db2.gz QYYNAUSVORHFRK-QGZVFWFLSA-N 0 0 454.509 4.690 20 30 JJEDRN N#Cc1cc(S(=O)(=O)NCc2c(Cl)cc(Br)cc2Cl)ccc1Cl ZINC001464632579 1068804824 /nfs/dbraw/zinc/80/48/24/1068804824.db2.gz MNDKREZXEWVHFH-UHFFFAOYSA-N 0 0 454.560 4.759 20 30 JJEDRN CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC001464679798 1068822504 /nfs/dbraw/zinc/82/25/04/1068822504.db2.gz NMGDXXVZXKLRNV-CYBMUJFWSA-N 0 0 456.402 4.745 20 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N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C3)C2)n1 ZINC001164664489 719359237 /nfs/dbraw/zinc/35/92/37/719359237.db2.gz NODINBBGJFGRCY-DEOSSOPVSA-N 0 0 499.949 4.930 20 30 JJEDRN CCOC[C@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)Cc2nn(CC3CC3)cc21 ZINC001164665543 719362814 /nfs/dbraw/zinc/36/28/14/719362814.db2.gz YVACBQBHTMFHNQ-CYBMUJFWSA-N 0 0 456.324 4.552 20 30 JJEDRN CCOC[C@H]1CN(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164664780 719364454 /nfs/dbraw/zinc/36/44/54/719364454.db2.gz RKUIGIRQHUVIMC-LJQANCHMSA-N 0 0 498.965 4.960 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@H]43)cc2c1Cl ZINC001164679144 719548712 /nfs/dbraw/zinc/54/87/12/719548712.db2.gz UIYPMLHPZKIZCN-ZNOIYHFQSA-N 0 0 495.357 4.564 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCc4onc(Cn5ccnc5)c4C3)cnc2Cl)cc1 ZINC001164676532 719568045 /nfs/dbraw/zinc/56/80/45/719568045.db2.gz HGRSRDZITULPMJ-UHFFFAOYSA-N 0 0 466.879 4.614 20 30 JJEDRN 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CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccsc2)CCS1 ZINC001359755208 1064347279 /nfs/dbraw/zinc/34/72/79/1064347279.db2.gz VGSVNIMZZBKNIX-OAQYLSRUSA-N 0 0 453.637 4.611 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1Cl ZINC001434931368 1064358289 /nfs/dbraw/zinc/35/82/89/1064358289.db2.gz GAHRAKPCJUACSK-UHFFFAOYSA-N 0 0 451.954 4.869 20 30 JJEDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 ZINC001359760703 1064369566 /nfs/dbraw/zinc/36/95/66/1064369566.db2.gz YDGBREOURCGQQM-FXAWDEMLSA-N 0 0 489.462 4.627 20 30 JJEDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001359761028 1064370972 /nfs/dbraw/zinc/37/09/72/1064370972.db2.gz BVCWOVCOWDUGMD-NHCUHLMSSA-N 0 0 489.542 4.616 20 30 JJEDRN C=CCn1c(SCC(=O)NCCOc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 ZINC001434961558 1064377212 /nfs/dbraw/zinc/37/72/12/1064377212.db2.gz HRZQXSCUTAHVAQ-UHFFFAOYSA-N 0 0 456.999 4.689 20 30 JJEDRN CC(C)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001359773454 1064411666 /nfs/dbraw/zinc/41/16/66/1064411666.db2.gz PVHLTOJJGIFTLG-JOCHJYFZSA-N 0 0 462.642 4.774 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nnn(Cc2ccccc2)c1CC ZINC001434998852 1064413488 /nfs/dbraw/zinc/41/34/88/1064413488.db2.gz WYWHMUYIGFVCNI-UHFFFAOYSA-N 0 0 457.347 4.619 20 30 JJEDRN CC(C)CC1(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001359774547 1064415439 /nfs/dbraw/zinc/41/54/39/1064415439.db2.gz WUEDNUMKJKDNGC-UHFFFAOYSA-N 0 0 462.623 4.604 20 30 JJEDRN N#Cc1cccc(COc2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2Cl)c1 ZINC001435017127 1064434186 /nfs/dbraw/zinc/43/41/86/1064434186.db2.gz XEPAYSCCZUDNAQ-UHFFFAOYSA-N 0 0 458.905 4.912 20 30 JJEDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC001435073142 1064495737 /nfs/dbraw/zinc/49/57/37/1064495737.db2.gz GZYVJGDBKHKPCY-UHFFFAOYSA-N 0 0 452.326 4.930 20 30 JJEDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc(Br)cc2C#N)cc1 ZINC001435077379 1064499911 /nfs/dbraw/zinc/49/99/11/1064499911.db2.gz RZLKYDLXNSLVJG-UHFFFAOYSA-N 0 0 454.290 4.520 20 30 JJEDRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC001435078949 1064501609 /nfs/dbraw/zinc/50/16/09/1064501609.db2.gz WCJKAOBCGLOCSB-UHFFFAOYSA-N 0 0 455.436 4.832 20 30 JJEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC001435109896 1064519302 /nfs/dbraw/zinc/51/93/02/1064519302.db2.gz UIFCGHPHWNMFOH-KRWDZBQOSA-N 0 0 451.592 4.939 20 30 JJEDRN N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001435110878 1064520321 /nfs/dbraw/zinc/52/03/21/1064520321.db2.gz ZYJROKAVZIOOGT-CYBMUJFWSA-N 0 0 451.445 4.842 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC ZINC001435134816 1064538527 /nfs/dbraw/zinc/53/85/27/1064538527.db2.gz BAMQDKYOFXDHID-OAQYLSRUSA-N 0 0 457.530 4.867 20 30 JJEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001435162135 1064557834 /nfs/dbraw/zinc/55/78/34/1064557834.db2.gz JJCLLDDMBQMZPF-QGZVFWFLSA-N 0 0 457.353 4.881 20 30 JJEDRN CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1sccc1Br ZINC001359868421 1064560580 /nfs/dbraw/zinc/56/05/80/1064560580.db2.gz LGAOEBBCJDDVNT-LJQANCHMSA-N 0 0 486.439 4.798 20 30 JJEDRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1Cl ZINC001435171983 1064566232 /nfs/dbraw/zinc/56/62/32/1064566232.db2.gz VDMXPXNYLUJQQR-UHFFFAOYSA-N 0 0 451.914 4.926 20 30 JJEDRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(C#Cc2ccccc2)cc1 ZINC001435172215 1064566877 /nfs/dbraw/zinc/56/68/77/1064566877.db2.gz NIHJIZHSWUDUSE-JOCHJYFZSA-N 0 0 450.460 4.994 20 30 JJEDRN COC(=O)[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cc(F)ccc1F ZINC001359877301 1064567014 /nfs/dbraw/zinc/56/70/14/1064567014.db2.gz HKWAHWZOYIOAGS-OAQYLSRUSA-N 0 0 456.832 4.926 20 30 JJEDRN C#CCN(C(=O)COc1cccc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 ZINC001435174602 1064568269 /nfs/dbraw/zinc/56/82/69/1064568269.db2.gz FTPPFANTPHILIQ-NRFANRHFSA-N 0 0 450.332 4.967 20 30 JJEDRN C=CCOc1ccccc1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001435175893 1064569373 /nfs/dbraw/zinc/56/93/73/1064569373.db2.gz DLWPQTIRSKGAAD-DHIUTWEWSA-N 0 0 450.579 4.593 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1OC ZINC001435187388 1064576879 /nfs/dbraw/zinc/57/68/79/1064576879.db2.gz XTKBJHWNDODHCV-IPVAERDFSA-N 0 0 457.530 4.798 20 30 JJEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1 ZINC001435188124 1064577272 /nfs/dbraw/zinc/57/72/72/1064577272.db2.gz ZZWADSFDYPGUAL-JOCHJYFZSA-N 0 0 454.530 4.833 20 30 JJEDRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)s2)cc1 ZINC001435188442 1064577876 /nfs/dbraw/zinc/57/78/76/1064577876.db2.gz JLAQDNRQRFLGRT-MRXNPFEDSA-N 0 0 457.559 4.984 20 30 JJEDRN CCOc1ccc(C2(CNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CCOCC2)cc1 ZINC001359883668 1064578391 /nfs/dbraw/zinc/57/83/91/1064578391.db2.gz MREDBZQBNOTKFD-UHFFFAOYSA-N 0 0 457.530 4.622 20 30 JJEDRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001359886526 1064582399 /nfs/dbraw/zinc/58/23/99/1064582399.db2.gz MOEAOTTUZKDXNC-IRLDBZIGSA-N 0 0 496.656 4.762 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001359888334 1064584927 /nfs/dbraw/zinc/58/49/27/1064584927.db2.gz ASBNODBGXGMJCV-HSZRJFAPSA-N 0 0 486.414 4.996 20 30 JJEDRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001359893562 1064594626 /nfs/dbraw/zinc/59/46/26/1064594626.db2.gz HDDGWTDWSYLHLV-UIOOFZCWSA-N 0 0 462.598 4.917 20 30 JJEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)n2)c1 ZINC001435220586 1064600622 /nfs/dbraw/zinc/60/06/22/1064600622.db2.gz JSIXGMQFAGLNGS-UHFFFAOYSA-N 0 0 454.330 4.956 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCSC)c1 ZINC001435221882 1064602174 /nfs/dbraw/zinc/60/21/74/1064602174.db2.gz CKKBQFFFHIKLMT-INIZCTEOSA-N 0 0 453.029 4.593 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)CCSC)c1 ZINC001435221883 1064602228 /nfs/dbraw/zinc/60/22/28/1064602228.db2.gz CKKBQFFFHIKLMT-MRXNPFEDSA-N 0 0 453.029 4.593 20 30 JJEDRN N#Cc1ccccc1OCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001435229950 1064609908 /nfs/dbraw/zinc/60/99/08/1064609908.db2.gz HKDLMSPQNFYGFE-UHFFFAOYSA-N 0 0 455.829 4.746 20 30 JJEDRN CC(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001359904138 1064618729 /nfs/dbraw/zinc/61/87/29/1064618729.db2.gz KGIYWMTXJPFEQL-HSZRJFAPSA-N 0 0 478.666 4.824 20 30 JJEDRN CC(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001359911601 1064628355 /nfs/dbraw/zinc/62/83/55/1064628355.db2.gz CAOCZWSWWOKQHH-UHFFFAOYSA-N 0 0 492.649 4.625 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001435257504 1064634365 /nfs/dbraw/zinc/63/43/65/1064634365.db2.gz CQLRBMZKPDVISK-UHFFFAOYSA-N 0 0 457.246 4.842 20 30 JJEDRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001435264115 1064640922 /nfs/dbraw/zinc/64/09/22/1064640922.db2.gz HAMVRPIQIDLKOE-KOSHJBKYSA-N 0 0 454.530 4.684 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359926805 1064660385 /nfs/dbraw/zinc/66/03/85/1064660385.db2.gz CHAMLBOMWQDMII-FQEVSTJZSA-N 0 0 469.634 4.686 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359926806 1064660550 /nfs/dbraw/zinc/66/05/50/1064660550.db2.gz CHAMLBOMWQDMII-HXUWFJFHSA-N 0 0 469.634 4.686 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001359926875 1064660872 /nfs/dbraw/zinc/66/08/72/1064660872.db2.gz FTUDSNHVPAINDF-JOCHJYFZSA-N 0 0 493.656 4.896 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cn(C)c3ccccc23)n1CC[S@@](=O)C(C)(C)C ZINC001359926908 1064660919 /nfs/dbraw/zinc/66/09/19/1064660919.db2.gz GQXWOFKNKOGXON-MGBGTMOVSA-N 0 0 468.671 4.750 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCn2ccnc2C1 ZINC001359926934 1064660950 /nfs/dbraw/zinc/66/09/50/1064660950.db2.gz HYQRXWSEEBNSSL-IBGZPJMESA-N 0 0 452.006 4.824 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359927051 1064661911 /nfs/dbraw/zinc/66/19/11/1064661911.db2.gz LWGOPIPIAPGTDF-UNMCSNQZSA-N 0 0 481.645 4.752 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359927048 1064661973 /nfs/dbraw/zinc/66/19/73/1064661973.db2.gz LWGOPIPIAPGTDF-IFMALSPDSA-N 0 0 481.645 4.752 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCO1 ZINC001359927142 1064662552 /nfs/dbraw/zinc/66/25/52/1064662552.db2.gz OTGBDZJXWMDDKS-HNNXBMFYSA-N 0 0 452.422 4.714 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359929270 1064665583 /nfs/dbraw/zinc/66/55/83/1064665583.db2.gz BESJBIJCZNWLHL-OAQYLSRUSA-N 0 0 482.629 4.943 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CCSC(F)(F)F ZINC001359929480 1064666397 /nfs/dbraw/zinc/66/63/97/1064666397.db2.gz HCOPDTZCIMEFKT-GOSISDBHSA-N 0 0 469.533 4.810 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCCC1 ZINC001359929411 1064666497 /nfs/dbraw/zinc/66/64/97/1064666497.db2.gz FKTIKVOMXHUJDB-OAQYLSRUSA-N 0 0 488.677 4.933 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1nc2cc(Cl)ccc2s1 ZINC001359929703 1064666934 /nfs/dbraw/zinc/66/69/34/1064666934.db2.gz MIMRCNNPOSTRTA-INIZCTEOSA-N 0 0 459.019 4.860 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001359929877 1064667021 /nfs/dbraw/zinc/66/70/21/1064667021.db2.gz QGOFVDLYDKWXCO-OAQYLSRUSA-N 0 0 472.033 4.832 20 30 JJEDRN C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Oc1ccc(Br)cc1 ZINC001435295540 1064671912 /nfs/dbraw/zinc/67/19/12/1064671912.db2.gz YIAZWRHWYHAWTA-OAHLLOKOSA-N 0 0 452.308 4.705 20 30 JJEDRN C#CC[C@@]1(C(=O)N[C@H](CC)Cc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC001435302120 1064676940 /nfs/dbraw/zinc/67/69/40/1064676940.db2.gz QFRBKPDOGHKBCO-JPYJTQIMSA-N 0 0 452.517 4.936 20 30 JJEDRN 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ZINC001359968725 1064745133 /nfs/dbraw/zinc/74/51/33/1064745133.db2.gz GGWCTWWSVRJHHS-UHFFFAOYSA-N 0 0 455.283 4.947 20 30 JJEDRN CC(C)CN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCNC(=O)C1N=CC=CC1=O)C(C)C ZINC001359986055 1064765833 /nfs/dbraw/zinc/76/58/33/1064765833.db2.gz WYIOLKOFCKLYHS-WJTDDFOZSA-N 0 0 496.681 4.673 20 30 JJEDRN CCOc1cc(Br)ccc1NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001435476448 1064780159 /nfs/dbraw/zinc/78/01/59/1064780159.db2.gz YJXCMAPNKHQQOX-INIZCTEOSA-N 0 0 454.365 4.764 20 30 JJEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC001435496289 1064789411 /nfs/dbraw/zinc/78/94/11/1064789411.db2.gz YKBZVVKQXZOHLT-UHFFFAOYSA-N 0 0 456.296 4.857 20 30 JJEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001435501626 1064791764 /nfs/dbraw/zinc/79/17/64/1064791764.db2.gz XCGDTKKNGQSGPC-HXUWFJFHSA-N 0 0 459.369 4.524 20 30 JJEDRN COc1cc2[nH]c(CCCNC(=O)c3ccc(COc4ccccc4C#N)o3)cc2c(OC)c1 ZINC001435533289 1064813789 /nfs/dbraw/zinc/81/37/89/1064813789.db2.gz CHXVBKMGHHFWHW-UHFFFAOYSA-N 0 0 459.502 4.591 20 30 JJEDRN COc1cc(/C=C/C(=O)Nc2ccc(F)cc2OCC#N)ccc1OCc1c(C)noc1C ZINC001435540873 1064818261 /nfs/dbraw/zinc/81/82/61/1064818261.db2.gz XDYJHUQXCNZWHJ-WEVVVXLNSA-N 0 0 451.454 4.572 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)NC2CCN(c3cccc(OC)c3)CC2)s1 ZINC001360045952 1064864778 /nfs/dbraw/zinc/86/47/78/1064864778.db2.gz VZBRROWYQNGBBB-UHFFFAOYSA-N 0 0 452.045 4.632 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1C#N ZINC001435626584 1064888003 /nfs/dbraw/zinc/88/80/03/1064888003.db2.gz WUNOEZIITDSBFR-UHFFFAOYSA-N 0 0 451.914 4.764 20 30 JJEDRN C[C@@H](c1ccccc1Br)N(C)C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001435630237 1064891802 /nfs/dbraw/zinc/89/18/02/1064891802.db2.gz SUYYDVZVWWKRGK-MAUKXSAKSA-N 0 0 452.393 4.946 20 30 JJEDRN C[C@@H](c1ccccc1Br)N(C)C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001435630239 1064891908 /nfs/dbraw/zinc/89/19/08/1064891908.db2.gz SUYYDVZVWWKRGK-YJBOKZPZSA-N 0 0 452.393 4.946 20 30 JJEDRN N#Cc1cccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)Cc4ccccc4)cc3)n2)c1 ZINC001435632186 1064893168 /nfs/dbraw/zinc/89/31/68/1064893168.db2.gz MWUOFRSTQXVAFQ-UHFFFAOYSA-N 0 0 459.552 4.908 20 30 JJEDRN C=CCC[C@H](NC(=O)c1cc2c(nc3ccccn3c2=O)n1C)c1ccc(C(F)(F)F)cc1 ZINC001435633519 1064894196 /nfs/dbraw/zinc/89/41/96/1064894196.db2.gz DECYHCFFTXRECJ-SFHVURJKSA-N 0 0 454.452 4.642 20 30 JJEDRN Cn1nc2c(c1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)CCC2 ZINC001435647071 1064904886 /nfs/dbraw/zinc/90/48/86/1064904886.db2.gz FJVYXJCXOPIXKN-CQSZACIVSA-N 0 0 459.312 4.980 20 30 JJEDRN Cn1nc2c(c1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)CCC2 ZINC001435647067 1064904983 /nfs/dbraw/zinc/90/49/83/1064904983.db2.gz FJVYXJCXOPIXKN-AWEZNQCLSA-N 0 0 459.312 4.980 20 30 JJEDRN N#Cc1ccc(-n2ccc(NC(=O)Cc3c(Cl)cccc3Br)n2)c(Cl)c1 ZINC001435651360 1064908938 /nfs/dbraw/zinc/90/89/38/1064908938.db2.gz HWGXJTQBJFFODA-UHFFFAOYSA-N 0 0 450.123 4.994 20 30 JJEDRN 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GGICLBKSXYKSNM-SXUJQFLNSA-N 0 0 459.977 4.922 20 30 JJEDRN N#C[C@@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc(Cl)c1Cl ZINC001435766002 1064982296 /nfs/dbraw/zinc/98/22/96/1064982296.db2.gz IUGASSWCPXJFNS-LJQANCHMSA-N 0 0 450.281 4.789 20 30 JJEDRN Cc1cc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)nn1CCCOc1ccc(F)cc1 ZINC001435770847 1064985362 /nfs/dbraw/zinc/98/53/62/1064985362.db2.gz YARMHEMSDQKFTQ-XMMPIXPASA-N 0 0 450.514 4.714 20 30 JJEDRN COc1cc([C@H](C#N)NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)cc(OC)c1OC ZINC001435801588 1064998295 /nfs/dbraw/zinc/99/82/95/1064998295.db2.gz ACOKPSBLTMTEME-IBGZPJMESA-N 0 0 454.429 4.778 20 30 JJEDRN N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC001435811079 1065003994 /nfs/dbraw/zinc/00/39/94/1065003994.db2.gz XDRMKIPYRCJZSF-OAQYLSRUSA-N 0 0 458.461 4.674 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)CC2)c(F)c1 ZINC001435812719 1065005246 /nfs/dbraw/zinc/00/52/46/1065005246.db2.gz XYBZNRATZBWBLJ-IBGZPJMESA-N 0 0 455.961 4.885 20 30 JJEDRN COc1cccc([C@H](C#N)NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)c1OC ZINC001435822496 1065009828 /nfs/dbraw/zinc/00/98/28/1065009828.db2.gz CNFCMPIISOWBMG-FQEVSTJZSA-N 0 0 450.926 4.723 20 30 JJEDRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001435833400 1065015005 /nfs/dbraw/zinc/01/50/05/1065015005.db2.gz WUOVOSYDGLKJAM-URXFXBBRSA-N 0 0 455.514 4.527 20 30 JJEDRN C=CCOc1ccc(COC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)cc1 ZINC001435844045 1065019834 /nfs/dbraw/zinc/01/98/34/1065019834.db2.gz VOHHCPARHYJTHK-UHFFFAOYSA-N 0 0 451.544 4.824 20 30 JJEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001435854261 1065025419 /nfs/dbraw/zinc/02/54/19/1065025419.db2.gz ZQNPWRUTTYLETP-UHFFFAOYSA-N 0 0 454.324 4.697 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3ccc(Br)cc3C#N)cc2C1 ZINC001360131100 1065026267 /nfs/dbraw/zinc/02/62/67/1065026267.db2.gz IUNYTZXMJWOIEX-UHFFFAOYSA-N 0 0 456.340 4.866 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001545893892 1065039470 /nfs/dbraw/zinc/03/94/70/1065039470.db2.gz KDTSQKKZOHBDJU-HSZRJFAPSA-N 0 0 494.974 4.630 20 30 JJEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C/C(C)=C/c2ccccc2)cc1[N+](=O)[O-] ZINC001435890475 1065047672 /nfs/dbraw/zinc/04/76/72/1065047672.db2.gz GWVSDUGNELFJOX-NBVRZTHBSA-N 0 0 459.506 4.556 20 30 JJEDRN C[C@@H](CN(C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)Oc1ccc(Cl)c(Cl)c1 ZINC001435891066 1065048237 /nfs/dbraw/zinc/04/82/37/1065048237.db2.gz WYXSRBDQGJIJGT-KBXCAEBGSA-N 0 0 458.386 4.806 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)ccc1OC ZINC001360148260 1065050574 /nfs/dbraw/zinc/05/05/74/1065050574.db2.gz SMHSPNOYEFMBJN-HXUWFJFHSA-N 0 0 452.514 4.916 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)ccc1OC ZINC001360148262 1065050789 /nfs/dbraw/zinc/05/07/89/1065050789.db2.gz SOADFOJFQWOQPJ-LJQANCHMSA-N 0 0 452.942 4.513 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cnn(-c3ccccc3C)c2C(F)F)ccc1OC ZINC001360148640 1065051287 /nfs/dbraw/zinc/05/12/87/1065051287.db2.gz YTAFRSJDJKBATI-KRWDZBQOSA-N 0 0 454.477 4.738 20 30 JJEDRN O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cn(-c2cccc(Cl)c2)nn1 ZINC001435898511 1065051792 /nfs/dbraw/zinc/05/17/92/1065051792.db2.gz XIWSDZHNMAXLMU-UHFFFAOYSA-N 0 0 453.701 4.853 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)N(Cc3c(F)cccc3F)C3CCCC3)CC2=O)cc1Cl ZINC001360155071 1065057373 /nfs/dbraw/zinc/05/73/73/1065057373.db2.gz OMQHJCIKVCSUMO-INIZCTEOSA-N 0 0 457.908 4.814 20 30 JJEDRN C#CC(C)(C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC001360170397 1065064651 /nfs/dbraw/zinc/06/46/51/1065064651.db2.gz IPJISGMTFHZSOK-UHFFFAOYSA-N 0 0 459.402 4.920 20 30 JJEDRN Cc1oc(C#N)cc1C(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435922403 1065064712 /nfs/dbraw/zinc/06/47/12/1065064712.db2.gz PYTXPKJUYFLBFJ-NZQKXSOJSA-N 0 0 451.567 4.838 20 30 JJEDRN Cc1ccc(F)cc1C(=O)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 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CTWCGEOJSVOWQM-UHFFFAOYSA-N 0 0 454.935 4.818 20 30 JJEDRN COc1cc(N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccc1F ZINC001436043162 1065137987 /nfs/dbraw/zinc/13/79/87/1065137987.db2.gz JCGYLWPUTIJAOE-UHFFFAOYSA-N 0 0 450.354 4.834 20 30 JJEDRN Cc1cc(C(F)(F)F)nc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)n1 ZINC001436050920 1065144612 /nfs/dbraw/zinc/14/46/12/1065144612.db2.gz PEGQPDZRILUGRK-UHFFFAOYSA-N 0 0 451.342 4.803 20 30 JJEDRN C#CCN(C(=O)c1ccc(Br)s1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001360310423 1065147289 /nfs/dbraw/zinc/14/72/89/1065147289.db2.gz GKELABYBHDAVLH-CYBMUJFWSA-N 0 0 455.171 4.872 20 30 JJEDRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001436057030 1065149859 /nfs/dbraw/zinc/14/98/59/1065149859.db2.gz RBKIYQUASNTSMA-XMMPIXPASA-N 0 0 459.477 4.660 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Br)c3Cl)CC2=O)cc1Cl ZINC001436062134 1065153591 /nfs/dbraw/zinc/15/35/91/1065153591.db2.gz IPGSZTHNRAVEKL-NSHDSACASA-N 0 0 453.123 4.619 20 30 JJEDRN Cc1cc(OCCCC(=O)Oc2ccc(C#N)cc2I)ccc1Cl ZINC001436073549 1065162354 /nfs/dbraw/zinc/16/23/54/1065162354.db2.gz MOLNHNWPYKBOCP-UHFFFAOYSA-N 0 0 455.679 4.889 20 30 JJEDRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360324131 1065162866 /nfs/dbraw/zinc/16/28/66/1065162866.db2.gz LZNNCPZMDZJHLL-HSZRJFAPSA-N 0 0 472.014 4.590 20 30 JJEDRN COCC[S@](=O)Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC001360332290 1065177654 /nfs/dbraw/zinc/17/76/54/1065177654.db2.gz RBKDARNVNLWLIY-HKBQPEDESA-N 0 0 450.585 4.857 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1OC ZINC001360334160 1065179384 /nfs/dbraw/zinc/17/93/84/1065179384.db2.gz SQWLCUZHEVREHM-AXDNMFEOSA-N 0 0 458.599 4.863 20 30 JJEDRN CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCOc2ccccc2C(C)C)CCOC1 ZINC001360338981 1065187527 /nfs/dbraw/zinc/18/75/27/1065187527.db2.gz OMUXQZDGRMIFAB-HHHXNRCGSA-N 0 0 481.641 4.651 20 30 JJEDRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 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CIRNETXZEJNTLI-IBGZPJMESA-N 0 0 453.514 4.963 20 30 JJEDRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC001360370060 1065228912 /nfs/dbraw/zinc/22/89/12/1065228912.db2.gz CTXFZJLZQHYDIX-NJYVYQBISA-N 0 0 477.531 4.741 20 30 JJEDRN C#CCOc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 ZINC001360374297 1065232859 /nfs/dbraw/zinc/23/28/59/1065232859.db2.gz VLYKMEYSETXCTB-IBGZPJMESA-N 0 0 459.340 4.666 20 30 JJEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)C(F)(F)c3cc(Cl)ccc3Cl)CC2)c1 ZINC001360377707 1065238701 /nfs/dbraw/zinc/23/87/01/1065238701.db2.gz SDRXQIYVSUOCOA-UHFFFAOYSA-N 0 0 452.288 4.834 20 30 JJEDRN CC(C)OCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001360379195 1065239881 /nfs/dbraw/zinc/23/98/81/1065239881.db2.gz OFKWSFMODKJSRC-UHFFFAOYSA-N 0 0 451.615 4.950 20 30 JJEDRN C=CCOc1ccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)cc1 ZINC001436194644 1065242846 /nfs/dbraw/zinc/24/28/46/1065242846.db2.gz PEJXLIUWDUUZOE-HXUWFJFHSA-N 0 0 459.974 4.881 20 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CC(C)n1nc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c2ccccc2c1=O ZINC001436222224 1065262818 /nfs/dbraw/zinc/26/28/18/1065262818.db2.gz MSFCTEVXUOHKES-UHFFFAOYSA-N 0 0 454.534 4.585 20 30 JJEDRN C[C@H](CCc1ccc(I)cc1)CC(=O)Nc1nc(Cl)c(C#N)s1 ZINC001436222329 1065262920 /nfs/dbraw/zinc/26/29/20/1065262920.db2.gz LBMIKPCXDDYNSQ-SNVBAGLBSA-N 0 0 459.740 4.870 20 30 JJEDRN C=CCC1(CNC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)CCCC1 ZINC001436235613 1065271063 /nfs/dbraw/zinc/27/10/63/1065271063.db2.gz UMKJWZVDSDOVJR-UHFFFAOYSA-N 0 0 457.294 4.915 20 30 JJEDRN COc1ccc(OC)c(C2=NO[C@H](C(=O)OCc3ccccc3Oc3ccccc3C#N)C2)c1 ZINC001436238735 1065272130 /nfs/dbraw/zinc/27/21/30/1065272130.db2.gz IDCWZRDGOFKJHA-VWLOTQADSA-N 0 0 458.470 4.604 20 30 JJEDRN CC(C)[C@@H](C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)N1C(=O)c2ccccc2C1=O ZINC001436255191 1065276109 /nfs/dbraw/zinc/27/61/09/1065276109.db2.gz FQZBICVUDSZFFM-QHCPKHFHSA-N 0 0 455.539 4.969 20 30 JJEDRN CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 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C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001436564726 1065366488 /nfs/dbraw/zinc/36/64/88/1065366488.db2.gz LODNGWIWUXRCEV-IYBDPMFKSA-N 0 0 454.452 4.971 20 30 JJEDRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 ZINC001436577135 1065376956 /nfs/dbraw/zinc/37/69/56/1065376956.db2.gz JCRFBSVKSMVARD-DHIUTWEWSA-N 0 0 451.567 4.682 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1cnn(C)c1 ZINC001360469698 1065385260 /nfs/dbraw/zinc/38/52/60/1065385260.db2.gz GKUSEWDYZKLTRL-KRWDZBQOSA-N 0 0 463.586 4.917 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC=CO1 ZINC001360469767 1065385503 /nfs/dbraw/zinc/38/55/03/1065385503.db2.gz GZLLSBLHFHCCHU-HIFRSBDPSA-N 0 0 450.768 4.792 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOC[C@@H]1CCCO1 ZINC001360469890 1065385960 /nfs/dbraw/zinc/38/59/60/1065385960.db2.gz JBWQUGKXCTXXBB-ICSRJNTNSA-N 0 0 457.644 4.600 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCNC(=O)C1CCC1 ZINC001360469851 1065386034 /nfs/dbraw/zinc/38/60/34/1065386034.db2.gz IHZGJMIONXPDKX-KRWDZBQOSA-N 0 0 480.613 4.857 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCCC1(C)C ZINC001360469874 1065386142 /nfs/dbraw/zinc/38/61/42/1065386142.db2.gz IRHNTSBTDINDNH-SIBVEZHUSA-N 0 0 463.582 4.797 20 30 JJEDRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(F)c2)c(Cl)cc1Cl ZINC001436589817 1065386750 /nfs/dbraw/zinc/38/67/50/1065386750.db2.gz SQBVYDIKRGTUGE-LLVKDONJSA-N 0 0 458.342 4.723 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001360470118 1065386684 /nfs/dbraw/zinc/38/66/84/1065386684.db2.gz LNFSMRKXZWXSPZ-ZDUSSCGKSA-N 0 0 497.319 4.915 20 30 JJEDRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(F)c2)c(Cl)cc1Cl ZINC001436589821 1065386893 /nfs/dbraw/zinc/38/68/93/1065386893.db2.gz SQBVYDIKRGTUGE-NSHDSACASA-N 0 0 458.342 4.723 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cccnc1OCC(F)(F)F ZINC001360471107 1065390920 /nfs/dbraw/zinc/39/09/20/1065390920.db2.gz BAXFUAPZDZSWOP-INIZCTEOSA-N 0 0 481.482 4.616 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360471057 1065390990 /nfs/dbraw/zinc/39/09/90/1065390990.db2.gz ZUMVUZPSFWMPRY-LLVKDONJSA-N 0 0 485.333 4.970 20 30 JJEDRN CN(CCn1cc(Br)cn1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC001436598594 1065391679 /nfs/dbraw/zinc/39/16/79/1065391679.db2.gz LYSKPHSUHIMMIH-UHFFFAOYSA-N 0 0 459.731 4.735 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001360472074 1065392115 /nfs/dbraw/zinc/39/21/15/1065392115.db2.gz VMHZHFMXESFUNX-QGZVFWFLSA-N 0 0 495.509 4.810 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360474159 1065393605 /nfs/dbraw/zinc/39/36/05/1065393605.db2.gz IKXQRCVOAOOIOG-GFCCVEGCSA-N 0 0 476.894 4.619 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1sccc1Br ZINC001360474421 1065393699 /nfs/dbraw/zinc/39/36/99/1065393699.db2.gz NUTZULGSRIXVOO-HNNXBMFYSA-N 0 0 482.411 4.741 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(C)c(OC)cc1Cl ZINC001436600485 1065393533 /nfs/dbraw/zinc/39/35/33/1065393533.db2.gz WQNKLAJQOSZDNT-UHFFFAOYSA-N 0 0 453.720 4.707 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(F)c(Cl)c1 ZINC001360475391 1065394672 /nfs/dbraw/zinc/39/46/72/1065394672.db2.gz AAHXLAXWOPFXNU-SJLPKXTDSA-N 0 0 491.011 4.972 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccccn1 ZINC001360477259 1065395143 /nfs/dbraw/zinc/39/51/43/1065395143.db2.gz XRHWWQIYLFRWTP-UXHICEINSA-N 0 0 481.645 4.504 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCOc2ccccc21 ZINC001360476847 1065395207 /nfs/dbraw/zinc/39/52/07/1065395207.db2.gz RVYRDRRDRAUWBT-NJDAHSKKSA-N 0 0 494.640 4.697 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001360478318 1065395829 /nfs/dbraw/zinc/39/58/29/1065395829.db2.gz IGRZKNSLGYPRNW-INIZCTEOSA-N 0 0 463.529 4.796 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001360478281 1065396005 /nfs/dbraw/zinc/39/60/05/1065396005.db2.gz HMDGJWMNDOZXIX-KSFYIVLOSA-N 0 0 485.489 4.876 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1coc(-c2cccs2)n1 ZINC001360478830 1065396673 /nfs/dbraw/zinc/39/66/73/1065396673.db2.gz NYNKNMBPXPAHPB-AWEZNQCLSA-N 0 0 454.506 4.650 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cnn2ccccc12 ZINC001360480645 1065398888 /nfs/dbraw/zinc/39/88/88/1065398888.db2.gz DPJATCZGFKUQHH-IBGZPJMESA-N 0 0 457.582 4.589 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCNc1ncc(Cl)cc1Cl ZINC001360480574 1065398906 /nfs/dbraw/zinc/39/89/06/1065398906.db2.gz CINVHUBFDYTZGI-CQSZACIVSA-N 0 0 478.359 4.548 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360480847 1065399805 /nfs/dbraw/zinc/39/98/05/1065399805.db2.gz HSRMMNGGQDZBSJ-MRXNPFEDSA-N 0 0 483.498 4.581 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1nc(C(F)(F)F)cs1 ZINC001360481141 1065400622 /nfs/dbraw/zinc/40/06/22/1065400622.db2.gz MKENLEXRYDCMQZ-AWEZNQCLSA-N 0 0 473.528 4.807 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[S@](=O)C(C)(C)C ZINC001360483142 1065403122 /nfs/dbraw/zinc/40/31/22/1065403122.db2.gz SGCOWRUCUOVZJM-HOLBHBGLSA-N 0 0 454.065 4.509 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC001436641131 1065412888 /nfs/dbraw/zinc/41/28/88/1065412888.db2.gz BQKCEROMYHHTSI-GOSISDBHSA-N 0 0 457.368 4.813 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001436641416 1065412927 /nfs/dbraw/zinc/41/29/27/1065412927.db2.gz NKFTXIQHSPFCOH-UHFFFAOYSA-N 0 0 456.090 4.937 20 30 JJEDRN Cc1c(Br)cc(I)cc1C(=O)Nc1cc(C#N)ccc1F ZINC001436645482 1065414572 /nfs/dbraw/zinc/41/45/72/1065414572.db2.gz YIJGWPVKFFMZRM-UHFFFAOYSA-N 0 0 459.056 4.625 20 30 JJEDRN Cc1nsc(N(C)C(=O)c2cc(I)c(Cl)cc2Cl)c1C#N ZINC001436646277 1065415832 /nfs/dbraw/zinc/41/58/32/1065415832.db2.gz UPZOPZOAOXLUNW-UHFFFAOYSA-N 0 0 452.104 4.511 20 30 JJEDRN C#C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(Br)cc1 ZINC001436651059 1065417245 /nfs/dbraw/zinc/41/72/45/1065417245.db2.gz JABYTIARQOVIRV-HNNXBMFYSA-N 0 0 457.549 4.735 20 30 JJEDRN C[C@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001360498680 1065418107 /nfs/dbraw/zinc/41/81/07/1065418107.db2.gz VTAJLVVZJKRBDX-GQIGUUNPSA-N 0 0 475.540 4.913 20 30 JJEDRN C#C[C@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 ZINC001436651934 1065418290 /nfs/dbraw/zinc/41/82/90/1065418290.db2.gz VFCKCPHIRQZKNX-MRXNPFEDSA-N 0 0 451.375 4.516 20 30 JJEDRN C[C@H](Cc1cccs1)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N ZINC001360504759 1065436778 /nfs/dbraw/zinc/43/67/78/1065436778.db2.gz ZQMCMSNCVCQDND-HCXYKTFWSA-N 0 0 472.659 4.727 20 30 JJEDRN COc1ccc(OC(F)(F)F)c(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c1 ZINC001436772004 1065438357 /nfs/dbraw/zinc/43/83/57/1065438357.db2.gz AYEQGSGZQRSEJT-AWEZNQCLSA-N 0 0 456.270 4.675 20 30 JJEDRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)OC1CCCC1 ZINC001360513815 1065462731 /nfs/dbraw/zinc/46/27/31/1065462731.db2.gz ISJVYPSGOMQPIB-GOSISDBHSA-N 0 0 468.602 4.630 20 30 JJEDRN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C#N)c3Br)s2)cc1 ZINC001436896564 1065466213 /nfs/dbraw/zinc/46/62/13/1065466213.db2.gz FGISHFNLMKSPEF-UHFFFAOYSA-N 0 0 456.321 4.895 20 30 JJEDRN N#Cc1cccc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1Br ZINC001436898561 1065466971 /nfs/dbraw/zinc/46/69/71/1065466971.db2.gz KOVGFFRHCVYUPG-UHFFFAOYSA-N 0 0 450.321 4.882 20 30 JJEDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001360516154 1065475734 /nfs/dbraw/zinc/47/57/34/1065475734.db2.gz OKERNAQKGPUSSI-SFHVURJKSA-N 0 0 452.603 4.557 20 30 JJEDRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1C ZINC001436939853 1065477471 /nfs/dbraw/zinc/47/74/71/1065477471.db2.gz XSPUWRDZDISYBX-SZNDQCEHSA-N 0 0 454.368 4.567 20 30 JJEDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CC2)C1 ZINC001360518992 1065484273 /nfs/dbraw/zinc/48/42/73/1065484273.db2.gz GJHYLBSVOSDUQU-FQEVSTJZSA-N 0 0 494.640 4.612 20 30 JJEDRN C[C@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br)c1nccs1 ZINC001360519511 1065486844 /nfs/dbraw/zinc/48/68/44/1065486844.db2.gz ONBGNFYPDYROAZ-GFCCVEGCSA-N 0 0 467.343 4.501 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccc(F)cc1Br ZINC001436991651 1065490281 /nfs/dbraw/zinc/49/02/81/1065490281.db2.gz JKLQKVQSAXFXQJ-GFCCVEGCSA-N 0 0 459.237 4.927 20 30 JJEDRN CC[C@@H]1[C@H](C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)CCN1C(=O)OC(C)(C)C ZINC001436998477 1065490862 /nfs/dbraw/zinc/49/08/62/1065490862.db2.gz POFPPVGHZGJHSG-KFKAGJAMSA-N 0 0 453.505 4.982 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn(C(C)(C)C)c1Br ZINC001436998405 1065491071 /nfs/dbraw/zinc/49/10/71/1065491071.db2.gz PCXWVYMIGCUDOX-LBPRGKRZSA-N 0 0 457.294 4.974 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Br)c(C#N)n2)c1 ZINC001437011107 1065494599 /nfs/dbraw/zinc/49/45/99/1065494599.db2.gz WLMLUQYWDTUMQW-UHFFFAOYSA-N 0 0 451.708 4.968 20 30 JJEDRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001437033149 1065498622 /nfs/dbraw/zinc/49/86/22/1065498622.db2.gz VAUPEMWSYHWWRZ-UHFFFAOYSA-N 0 0 457.273 4.741 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](F)C2)ccc1Cl ZINC001437074121 1065506427 /nfs/dbraw/zinc/50/64/27/1065506427.db2.gz OLGLJUXUDRKYOF-QZTJIDSGSA-N 0 0 450.963 4.732 20 30 JJEDRN Cc1cc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)c(I)cc1Cl ZINC001437138551 1065512654 /nfs/dbraw/zinc/51/26/54/1065512654.db2.gz PLTXJTLWXICWLM-UHFFFAOYSA-N 0 0 450.707 4.934 20 30 JJEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001360532258 1065513827 /nfs/dbraw/zinc/51/38/27/1065513827.db2.gz SKDGBLFYBYKGSM-UHFFFAOYSA-N 0 0 451.544 4.627 20 30 JJEDRN C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N)Oc1ccc(Cl)cc1 ZINC001360536257 1065519088 /nfs/dbraw/zinc/51/90/88/1065519088.db2.gz VLIBFCUJNLBQSD-GJZGRUSLSA-N 0 0 491.821 4.905 20 30 JJEDRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C#N)CC1)N(C)c1ccccc1 ZINC001360536407 1065519150 /nfs/dbraw/zinc/51/91/50/1065519150.db2.gz XPIVINRJMZVGML-QGZVFWFLSA-N 0 0 482.430 4.691 20 30 JJEDRN C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360541351 1065527917 /nfs/dbraw/zinc/52/79/17/1065527917.db2.gz JYIDYJFJROLPEX-FXAWDEMLSA-N 0 0 493.637 4.570 20 30 JJEDRN C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360541746 1065529205 /nfs/dbraw/zinc/52/92/05/1065529205.db2.gz SVYALCDTIMDYCR-UGKGYDQZSA-N 0 0 496.656 4.856 20 30 JJEDRN C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC001360553973 1065545216 /nfs/dbraw/zinc/54/52/16/1065545216.db2.gz SBAZPALNVOLMQJ-ZDUSSCGKSA-N 0 0 488.411 4.999 20 30 JJEDRN C#CCN(C(=O)c1cc(-c2cccc(F)c2)no1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001360556993 1065546268 /nfs/dbraw/zinc/54/62/68/1065546268.db2.gz KFHMDWZVACSWGU-LJQANCHMSA-N 0 0 455.283 4.842 20 30 JJEDRN C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001360556802 1065546405 /nfs/dbraw/zinc/54/64/05/1065546405.db2.gz DJAMFPLUAVTEQN-VWPQPMDRSA-N 0 0 453.380 4.604 20 30 JJEDRN C#CCN(C(=O)c1ccc(-n2cccn2)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001360557214 1065546478 /nfs/dbraw/zinc/54/64/78/1065546478.db2.gz QLXITLISHRKWMU-OAQYLSRUSA-N 0 0 450.336 4.542 20 30 JJEDRN C#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001360557391 1065546960 /nfs/dbraw/zinc/54/69/60/1065546960.db2.gz XBCXCXJKBDHDDC-GOSISDBHSA-N 0 0 452.270 4.996 20 30 JJEDRN C=CCOc1ccccc1CNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001360571768 1065565720 /nfs/dbraw/zinc/56/57/20/1065565720.db2.gz DPPIZZNXOGBRJH-UHFFFAOYSA-N 0 0 451.544 4.566 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCc2ccc(C#N)cc2)C1 ZINC001437547102 1065570297 /nfs/dbraw/zinc/57/02/97/1065570297.db2.gz FNQXVRPMCHVDNV-DHIUTWEWSA-N 0 0 451.542 4.539 20 30 JJEDRN N#Cc1sccc1N1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC001437640755 1065587230 /nfs/dbraw/zinc/58/72/30/1065587230.db2.gz POEWTDFFFKRNTH-UHFFFAOYSA-N 0 0 458.465 4.788 20 30 JJEDRN N#Cc1cccc(N(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C2CCC2)c1 ZINC001437677897 1065590756 /nfs/dbraw/zinc/59/07/56/1065590756.db2.gz WMBOTXGJSUQJLI-UHFFFAOYSA-N 0 0 456.731 4.754 20 30 JJEDRN CC(C)CCO[C@H]1CC[C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC001437792234 1065607807 /nfs/dbraw/zinc/60/78/07/1065607807.db2.gz GBJBUXSMSNUEEB-MXVIHJGJSA-N 0 0 454.571 4.513 20 30 JJEDRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC001360596382 1065609163 /nfs/dbraw/zinc/60/91/63/1065609163.db2.gz YTGGHBIIDCKISR-XMMPIXPASA-N 0 0 455.514 4.911 20 30 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CC(C)(C)OC(=O)N1CC=C(Cn2c(CC3CCCC3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001360790593 1065905620 /nfs/dbraw/zinc/90/56/20/1065905620.db2.gz CIQYEQATMJEINY-UHFFFAOYSA-N 0 0 468.646 4.708 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001360792023 1065906400 /nfs/dbraw/zinc/90/64/00/1065906400.db2.gz DDGHMOSVWLQAEO-JOCHJYFZSA-N 0 0 478.641 4.593 20 30 JJEDRN CC(F)(F)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C)(C#N)CC2)cc1 ZINC001360792006 1065906492 /nfs/dbraw/zinc/90/64/92/1065906492.db2.gz CPXRXHISHQWAPQ-UHFFFAOYSA-N 0 0 484.576 4.560 20 30 JJEDRN CC1(C#N)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC2(O)CCC2)CC1 ZINC001360792158 1065906582 /nfs/dbraw/zinc/90/65/82/1065906582.db2.gz ICNWGKFFINOFFY-UHFFFAOYSA-N 0 0 464.397 4.599 20 30 JJEDRN CC1(C#N)CCN(c2nnc(COc3ccc(F)cc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001360792609 1065907122 /nfs/dbraw/zinc/90/71/22/1065907122.db2.gz WLQQHPCFDXOUHK-UHFFFAOYSA-N 0 0 488.489 4.783 20 30 JJEDRN C[C@H]1CCc2nc(NC(=O)c3coc(-c4ccc(Br)cc4F)n3)c(C#N)cc2C1 ZINC001440105680 1065912094 /nfs/dbraw/zinc/91/20/94/1065912094.db2.gz VIGVKCXVRBNASJ-NSHDSACASA-N 0 0 455.287 4.887 20 30 JJEDRN CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC#N)CC1 ZINC001360803277 1065914878 /nfs/dbraw/zinc/91/48/78/1065914878.db2.gz YQGBEPSBEYQRKE-XMMPIXPASA-N 0 0 459.541 4.618 20 30 JJEDRN CC1(C)CCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 ZINC001360804905 1065915762 /nfs/dbraw/zinc/91/57/62/1065915762.db2.gz BIOKRWMCRFMQQQ-RDJZCZTQSA-N 0 0 464.397 4.719 20 30 JJEDRN CC1(C)CCO[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1 ZINC001360819431 1065932033 /nfs/dbraw/zinc/93/20/33/1065932033.db2.gz WKMXHZJDSDVFLO-FQEVSTJZSA-N 0 0 488.430 4.565 20 30 JJEDRN O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001360820551 1065933563 /nfs/dbraw/zinc/93/35/63/1065933563.db2.gz FKKRRFNOEMBDDN-SNVBAGLBSA-N 0 0 452.317 4.859 20 30 JJEDRN CC1(C)CN(c2nnc(-c3ccccc3Br)n2Cc2ccc(C#N)o2)CCS1 ZINC001360821772 1065936327 /nfs/dbraw/zinc/93/63/27/1065936327.db2.gz JGYWLSRKLGZYGJ-UHFFFAOYSA-N 0 0 458.385 4.552 20 30 JJEDRN CC1(C)SCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C#N)CC1 ZINC001360832936 1065944811 /nfs/dbraw/zinc/94/48/11/1065944811.db2.gz QEOOHLHLSXBVDJ-KRWDZBQOSA-N 0 0 460.445 4.979 20 30 JJEDRN Cc1sc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC001360848891 1065957791 /nfs/dbraw/zinc/95/77/91/1065957791.db2.gz IUHMUCPXZSIZQF-OKILXGFUSA-N 0 0 486.439 4.920 20 30 JJEDRN Cc1sc(C)c(Cn2c(-c3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)c1Br ZINC001360849002 1065958411 /nfs/dbraw/zinc/95/84/11/1065958411.db2.gz LFVYLKRGQGYFCE-OAQYLSRUSA-N 0 0 471.428 4.959 20 30 JJEDRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001440679244 1065964431 /nfs/dbraw/zinc/96/44/31/1065964431.db2.gz BEJSHSPIPIVXDX-VWLOTQADSA-N 0 0 458.537 4.596 20 30 JJEDRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001440683675 1065966328 /nfs/dbraw/zinc/96/63/28/1065966328.db2.gz LZRUGSAUWJHNAW-HXUWFJFHSA-N 0 0 455.345 4.980 20 30 JJEDRN C=CC[C@]1(C(=O)NCc2ccnc(OCc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C ZINC001360852900 1065967923 /nfs/dbraw/zinc/96/79/23/1065967923.db2.gz URXMDHIYWSQQJC-AREMUKBSSA-N 0 0 451.567 4.623 20 30 JJEDRN C[C@H](CCc1ccc(I)cc1)CC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC001440867160 1065985277 /nfs/dbraw/zinc/98/52/77/1065985277.db2.gz NUWYKSIAGURZIG-KUHUBIRLSA-N 0 0 450.295 4.770 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc(C)n(-c4nccs4)c3C)c2)c1 ZINC001440870847 1065986467 /nfs/dbraw/zinc/98/64/67/1065986467.db2.gz MNTJHNITVXRUOP-UHFFFAOYSA-N 0 0 455.539 4.989 20 30 JJEDRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360866356 1065988622 /nfs/dbraw/zinc/98/86/22/1065988622.db2.gz RPEVBQSADKYRKB-ICSRJNTNSA-N 0 0 482.629 4.640 20 30 JJEDRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360866632 1065989936 /nfs/dbraw/zinc/98/99/36/1065989936.db2.gz WPQVCVDWWHTTCB-QUCCMNQESA-N 0 0 470.618 4.688 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2Cc2ccc(C#N)o2)c1C ZINC001360870962 1066004250 /nfs/dbraw/zinc/00/42/50/1066004250.db2.gz RNAGXARZFJGPDB-JENIJYKNSA-N 0 0 451.596 4.878 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cc(C(C)(C)C)no2)c1C ZINC001360873937 1066011501 /nfs/dbraw/zinc/01/15/01/1066011501.db2.gz LNEPDLAJFHCSQL-IQGLISFBSA-N 0 0 466.561 4.811 20 30 JJEDRN CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 ZINC001441189198 1066013524 /nfs/dbraw/zinc/01/35/24/1066013524.db2.gz COJJGGOMTCPLQS-UHFFFAOYSA-N 0 0 458.518 4.601 20 30 JJEDRN Nc1c(Br)cc(F)cc1C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001441208152 1066015540 /nfs/dbraw/zinc/01/55/40/1066015540.db2.gz SYJXFBMLQFDDTA-QMSLJYSESA-N 0 0 451.180 4.810 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001441213482 1066015640 /nfs/dbraw/zinc/01/56/40/1066015640.db2.gz ZQEVDCDCYYJDHZ-VPOLOUISSA-N 0 0 456.374 4.561 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@@](C)(O)c2ccco2)c1C ZINC001360875449 1066017856 /nfs/dbraw/zinc/01/78/56/1066017856.db2.gz ZXERAYHAFJZGQV-FQRUVTKNSA-N 0 0 463.582 4.666 20 30 JJEDRN CC(C)N(C)C(=O)C1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC001441287426 1066022817 /nfs/dbraw/zinc/02/28/17/1066022817.db2.gz ACPXDZZZJNMVFY-UHFFFAOYSA-N 0 0 456.402 4.695 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC001441402341 1066037893 /nfs/dbraw/zinc/03/78/93/1066037893.db2.gz GBWCWCBXPIHFRL-FQEVSTJZSA-N 0 0 454.530 4.902 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC001441407365 1066038667 /nfs/dbraw/zinc/03/86/67/1066038667.db2.gz RJBHRCFUERLTIP-UWJYYQICSA-N 0 0 459.974 4.874 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC001441407356 1066038892 /nfs/dbraw/zinc/03/88/92/1066038892.db2.gz RJBHRCFUERLTIP-LAUBAEHRSA-N 0 0 459.974 4.874 20 30 JJEDRN CC1=C(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001360885139 1066040078 /nfs/dbraw/zinc/04/00/78/1066040078.db2.gz URALXGXMMSERCM-UHFFFAOYSA-N 0 0 450.587 4.667 20 30 JJEDRN Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)sc1C ZINC001360897693 1066050592 /nfs/dbraw/zinc/05/05/92/1066050592.db2.gz HCWNVHPMDVXBJT-SFHVURJKSA-N 0 0 460.529 4.912 20 30 JJEDRN Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC=C(C(F)(F)F)CC2)sc1C ZINC001360897529 1066050691 /nfs/dbraw/zinc/05/06/91/1066050691.db2.gz FUVPLQWEWIKZNP-UHFFFAOYSA-N 0 0 458.513 4.832 20 30 JJEDRN Cc1nc(CCn2c([C@@H]3COc4ccccc4O3)nnc2N(CCC#N)CCC(C)C)sc1C ZINC001360899162 1066052677 /nfs/dbraw/zinc/05/26/77/1066052677.db2.gz JRTOMBYDAIIOJF-QFIPXVFZSA-N 0 0 480.638 4.873 20 30 JJEDRN COc1ccccc1[C@H]1[C@@H](C(=O)NCc2ccc(C#N)cc2)CCC(=O)N1c1ccc(C)cc1 ZINC001360900570 1066053792 /nfs/dbraw/zinc/05/37/92/1066053792.db2.gz LKIXZCRWVZMROF-IGKIAQTJSA-N 0 0 453.542 4.676 20 30 JJEDRN Cc1nc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccc(C#N)cc2)sc1C ZINC001360901254 1066054697 /nfs/dbraw/zinc/05/46/97/1066054697.db2.gz KCPNSWSXBFIOAC-UHFFFAOYSA-N 0 0 482.411 4.665 20 30 JJEDRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC001360901926 1066055870 /nfs/dbraw/zinc/05/58/70/1066055870.db2.gz GDEZAMUKYADUSF-GOSISDBHSA-N 0 0 452.498 4.534 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@](C)(O)c1cccs1 ZINC001360907615 1066062008 /nfs/dbraw/zinc/06/20/08/1066062008.db2.gz LVJGEIKUFGAHQB-VOIUYBSRSA-N 0 0 478.647 4.942 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCOC[C@H]1C ZINC001360907947 1066062683 /nfs/dbraw/zinc/06/26/83/1066062683.db2.gz WLSCUHYDZVPJIX-MBOZVWFJSA-N 0 0 450.612 4.788 20 30 JJEDRN Cc1nn(C)c(C)c1Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@@H](C)CC#N ZINC001360907961 1066062713 /nfs/dbraw/zinc/06/27/13/1066062713.db2.gz WWSIUKLCDGXYRH-HNNXBMFYSA-N 0 0 460.611 4.514 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCOC[C@H]1C ZINC001360907946 1066062824 /nfs/dbraw/zinc/06/28/24/1066062824.db2.gz WLSCUHYDZVPJIX-HLIPFELVSA-N 0 0 450.612 4.788 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001360908825 1066064439 /nfs/dbraw/zinc/06/44/39/1066064439.db2.gz RKLPWVCNDYYDBX-DLBZAZTESA-N 0 0 495.653 4.886 20 30 JJEDRN CC[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1ccccc1OCC(=O)N1CCCC1 ZINC001441728330 1066064808 /nfs/dbraw/zinc/06/48/08/1066064808.db2.gz RJHIFRLSPOLJEO-XMMPIXPASA-N 0 0 459.590 4.639 20 30 JJEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc3cc(F)ccc3s2)c1 ZINC001441738117 1066066001 /nfs/dbraw/zinc/06/60/01/1066066001.db2.gz OGYUYGWANZZRAS-NJNXFGOHSA-N 0 0 459.568 4.886 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H](C)CC#N ZINC001360911903 1066069076 /nfs/dbraw/zinc/06/90/76/1066069076.db2.gz ZZFCWCQYWKESBX-CYBMUJFWSA-N 0 0 476.810 4.764 20 30 JJEDRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2N1 ZINC001441794304 1066069949 /nfs/dbraw/zinc/06/99/49/1066069949.db2.gz FLXBXQFCGBLJCE-QVKFZJNVSA-N 0 0 453.468 4.747 20 30 JJEDRN Cc1ncsc1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001360918114 1066073359 /nfs/dbraw/zinc/07/33/59/1066073359.db2.gz IXBWJHIKQAWXHK-UHFFFAOYSA-N 0 0 482.411 4.551 20 30 JJEDRN C#CCN(CC#CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC001360918859 1066074693 /nfs/dbraw/zinc/07/46/93/1066074693.db2.gz DIRNLWHUYIRPPA-UHFFFAOYSA-N 0 0 452.945 4.899 20 30 JJEDRN Cc1ncsc1CCn1c(-c2ccc(Br)s2)nnc1N1CCC(CC#N)CC1 ZINC001360920085 1066076009 /nfs/dbraw/zinc/07/60/09/1066076009.db2.gz NDVFPARIFZGALQ-UHFFFAOYSA-N 0 0 477.457 4.907 20 30 JJEDRN Cc1ccsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001360920576 1066077075 /nfs/dbraw/zinc/07/70/75/1066077075.db2.gz XVBBQRMYOZKPQH-HXUWFJFHSA-N 0 0 490.677 4.807 20 30 JJEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3NCc3cccnc3)s2)cc1 ZINC001442031270 1066087001 /nfs/dbraw/zinc/08/70/01/1066087001.db2.gz GCQOXACIZBIBRM-UHFFFAOYSA-N 0 0 458.572 4.961 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001360934564 1066092422 /nfs/dbraw/zinc/09/24/22/1066092422.db2.gz DOEBSMMLFXHROI-IFMALSPDSA-N 0 0 450.612 4.669 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001360934566 1066092541 /nfs/dbraw/zinc/09/25/41/1066092541.db2.gz DOEBSMMLFXHROI-RBBKRZOGSA-N 0 0 450.612 4.669 20 30 JJEDRN C#CC[C@@]1(C(=O)NCC2(c3ccc(OC)cc3)CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001442134560 1066097140 /nfs/dbraw/zinc/09/71/40/1066097140.db2.gz ZKTMEYFQVUESAO-MHZLTWQESA-N 0 0 454.611 4.806 20 30 JJEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCC23CC(C2)CN3C(=O)OC(C)(C)C)cc1 ZINC001442268318 1066111370 /nfs/dbraw/zinc/11/13/70/1066111370.db2.gz WFPPUZURHWVCAN-UHFFFAOYSA-N 0 0 453.583 4.619 20 30 JJEDRN Cc1ccsc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001360958499 1066115118 /nfs/dbraw/zinc/11/51/18/1066115118.db2.gz OJRHTDXURIPLPG-UHFFFAOYSA-N 0 0 467.396 4.962 20 30 JJEDRN Cc1ccsc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001360959061 1066116213 /nfs/dbraw/zinc/11/62/13/1066116213.db2.gz ZBGYFKIEZLHXGD-UHFFFAOYSA-N 0 0 467.396 4.962 20 30 JJEDRN Cc1ccsc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001360960398 1066119162 /nfs/dbraw/zinc/11/91/62/1066119162.db2.gz LHOWSIMEPHPJFH-UHFFFAOYSA-N 0 0 492.649 4.976 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)NCC3(c4ccccc4Br)CC3)CC2)c(F)c1 ZINC001360967895 1066125021 /nfs/dbraw/zinc/12/50/21/1066125021.db2.gz NSFYTIITVDEIJM-UHFFFAOYSA-N 0 0 456.359 4.524 20 30 JJEDRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)NC(=O)OC(C)(C)C ZINC001545949570 1066131454 /nfs/dbraw/zinc/13/14/54/1066131454.db2.gz AJADJRCEYADZAI-FQEVSTJZSA-N 0 0 482.629 4.624 20 30 JJEDRN CC[C@H](Cn1c(C(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)NC(=O)OC(C)(C)C ZINC001545949571 1066131517 /nfs/dbraw/zinc/13/15/17/1066131517.db2.gz AJADJRCEYADZAI-HXUWFJFHSA-N 0 0 482.629 4.624 20 30 JJEDRN COc1cccc(Oc2ncccc2CNC(=O)c2occc2COc2cccc(C#N)c2)c1 ZINC001360976464 1066132123 /nfs/dbraw/zinc/13/21/23/1066132123.db2.gz ZWZLBBUXBLYQOZ-UHFFFAOYSA-N 0 0 455.470 4.856 20 30 JJEDRN Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)cnn1CC(C)C ZINC001360976847 1066133075 /nfs/dbraw/zinc/13/30/75/1066133075.db2.gz VYOKFPIKEAICCW-GBXCKJPGSA-N 0 0 475.641 4.953 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001442552283 1066137363 /nfs/dbraw/zinc/13/73/63/1066137363.db2.gz XXIZDRXIKWWISF-SFTDATJTSA-N 0 0 450.539 4.607 20 30 JJEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)c1 ZINC001442558845 1066137803 /nfs/dbraw/zinc/13/78/03/1066137803.db2.gz LLCQCPFHLQYESP-HSZRJFAPSA-N 0 0 454.979 4.518 20 30 JJEDRN Cc1ccc(C[C@@H]2CCCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)cc1 ZINC001442667062 1066149445 /nfs/dbraw/zinc/14/94/45/1066149445.db2.gz MVUOPSNUHKMHKT-WDFFPLNTSA-N 0 0 451.611 4.563 20 30 JJEDRN Cc1ccc(C[C@H]2CCCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)cc1 ZINC001442667069 1066149498 /nfs/dbraw/zinc/14/94/98/1066149498.db2.gz MVUOPSNUHKMHKT-WHMMNCJISA-N 0 0 451.611 4.563 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CCCc1cnn(C)c1 ZINC001360986681 1066153736 /nfs/dbraw/zinc/15/37/36/1066153736.db2.gz JRUHLPFJVJRXPO-APWZRJJASA-N 0 0 470.021 4.651 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCc2nccn2C1 ZINC001360986702 1066154205 /nfs/dbraw/zinc/15/42/05/1066154205.db2.gz JZGLGEVSQKOEJM-NSISKUIASA-N 0 0 482.032 4.743 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCc2nccn2C1 ZINC001360986700 1066154226 /nfs/dbraw/zinc/15/42/26/1066154226.db2.gz JZGLGEVSQKOEJM-AHRSYUTCSA-N 0 0 482.032 4.743 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCn2ccnc2C1 ZINC001360987165 1066157415 /nfs/dbraw/zinc/15/74/15/1066157415.db2.gz UGRNLVUQIVVPOI-AQNXPRMDSA-N 0 0 482.032 4.886 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001360989203 1066159832 /nfs/dbraw/zinc/15/98/32/1066159832.db2.gz AQIKGMKXJXNSDQ-RTHCMUBDSA-N 0 0 490.073 4.730 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCOC1 ZINC001360989341 1066160510 /nfs/dbraw/zinc/16/05/10/1066160510.db2.gz CTHPXFVSUXXJJJ-AZUAARDMSA-N 0 0 458.006 4.855 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1nccs1 ZINC001360990183 1066166235 /nfs/dbraw/zinc/16/62/35/1066166235.db2.gz QRYKQLNHJSDFCE-INIZCTEOSA-N 0 0 457.003 4.933 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCOC[C@H]1C ZINC001360990531 1066167982 /nfs/dbraw/zinc/16/79/82/1066167982.db2.gz WWTGVFNXXHYSEH-PLOUGOBLSA-N 0 0 475.996 4.803 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001360992334 1066171534 /nfs/dbraw/zinc/17/15/34/1066171534.db2.gz MYVOLAWEWFKGSB-PSHVLCQKSA-N 0 0 488.032 4.621 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)c(C)o1 ZINC001360997189 1066175660 /nfs/dbraw/zinc/17/56/60/1066175660.db2.gz CFTUVODFTYHABK-JIPXPUAJSA-N 0 0 477.609 4.892 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H](C)CC#N)c(C)o1 ZINC001360997925 1066176779 /nfs/dbraw/zinc/17/67/79/1066176779.db2.gz QEERBHUAVBOZIV-XMHCIUCPSA-N 0 0 490.377 4.703 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H](C)CC#N)c(C)o1 ZINC001360997922 1066176847 /nfs/dbraw/zinc/17/68/47/1066176847.db2.gz QEERBHUAVBOZIV-DMZKTXOQSA-N 0 0 490.377 4.703 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)c(C)o1 ZINC001361000715 1066178804 /nfs/dbraw/zinc/17/88/04/1066178804.db2.gz YVFBPIRSHIAUNO-HSZRJFAPSA-N 0 0 473.499 4.713 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)c(C)o1 ZINC001361002814 1066179754 /nfs/dbraw/zinc/17/97/54/1066179754.db2.gz IWAOHQZZZYEXSO-YXLNAYJUSA-N 0 0 477.609 4.861 20 30 JJEDRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)c(C)c1 ZINC001361014364 1066200628 /nfs/dbraw/zinc/20/06/28/1066200628.db2.gz MVVHHJVPIYEXFI-UHFFFAOYSA-N 0 0 460.582 4.524 20 30 JJEDRN CCN(CC)c1ccc2cc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c(=O)oc2c1 ZINC001361017043 1066204979 /nfs/dbraw/zinc/20/49/79/1066204979.db2.gz YVDIOWDNZDUXAV-UHFFFAOYSA-N 0 0 455.518 4.566 20 30 JJEDRN Cc1cc(C)cc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@@H](C)C#N)c1 ZINC001361017195 1066205608 /nfs/dbraw/zinc/20/56/08/1066205608.db2.gz LTFCJQWCGRZCTQ-GMAHTHKFSA-N 0 0 480.657 4.848 20 30 JJEDRN N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3=O)c2)cc1 ZINC001361020147 1066209848 /nfs/dbraw/zinc/20/98/48/1066209848.db2.gz PGSJSRVKZANXAB-HSZRJFAPSA-N 0 0 459.933 4.716 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)cc1 ZINC001361021295 1066213957 /nfs/dbraw/zinc/21/39/57/1066213957.db2.gz IUUZXVRLOQIFRB-UHFFFAOYSA-N 0 0 456.571 4.663 20 30 JJEDRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)O1 ZINC001546056172 1066222775 /nfs/dbraw/zinc/22/27/75/1066222775.db2.gz BXCVJVAOVXQFGY-YKSBVNFPSA-N 0 0 451.596 4.774 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC001453946030 1066224093 /nfs/dbraw/zinc/22/40/93/1066224093.db2.gz NCLKIUIXWOMDFD-QDPGVEIFSA-N 0 0 459.590 4.877 20 30 JJEDRN CC(C)(C#N)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361026343 1066226350 /nfs/dbraw/zinc/22/63/50/1066226350.db2.gz FDKNCVQVAGLMOU-HSZRJFAPSA-N 0 0 450.535 4.550 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](c2cccnc2)C(C)C)c1 ZINC001361026992 1066228148 /nfs/dbraw/zinc/22/81/48/1066228148.db2.gz JHRFEUNNEIVOMP-JYFHCDHNSA-N 0 0 462.573 4.751 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](c2cccnc2)C(C)C)c1 ZINC001361026993 1066228196 /nfs/dbraw/zinc/22/81/96/1066228196.db2.gz JHRFEUNNEIVOMP-OZXSUGGESA-N 0 0 462.573 4.751 20 30 JJEDRN CCC(CC)(CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1ccc(F)cc1 ZINC001453981076 1066229118 /nfs/dbraw/zinc/22/91/18/1066229118.db2.gz BXTILHADSQONOT-FRQRHGNXSA-N 0 0 457.590 4.787 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCO[C@@H]2CCCC[C@@H]2C)c1 ZINC001361028271 1066232566 /nfs/dbraw/zinc/23/25/66/1066232566.db2.gz XRAIJCOOUQQUEW-HOKHCIIBSA-N 0 0 455.578 4.511 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C#N)CC2)s1 ZINC001361028875 1066235600 /nfs/dbraw/zinc/23/56/00/1066235600.db2.gz TVFQIRCIQHOTCD-GOSISDBHSA-N 0 0 450.612 4.783 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)CN(CC1CC1)C(=O)OC(C)(C)C ZINC001442972940 1066248492 /nfs/dbraw/zinc/24/84/92/1066248492.db2.gz JPFLEHIWLFWDIN-UHFFFAOYSA-N 0 0 455.368 4.750 20 30 JJEDRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC001443047433 1066258068 /nfs/dbraw/zinc/25/80/68/1066258068.db2.gz SSFFEKDCWPOSHF-HXUWFJFHSA-N 0 0 457.578 4.692 20 30 JJEDRN Cc1cc(C)cc(OCCn2c(-c3cc(Br)cn3C)nnc2N(CCC#N)CC2CC2)c1 ZINC001361042043 1066265434 /nfs/dbraw/zinc/26/54/34/1066265434.db2.gz QIUUPWJKAWAOLB-UHFFFAOYSA-N 0 0 497.441 4.872 20 30 JJEDRN Cc1ccc(C[C@@]2(C)CCCN2C(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc1 ZINC001454338414 1066272488 /nfs/dbraw/zinc/27/24/88/1066272488.db2.gz ZQFOMNKSWFTYHQ-XMMPIXPASA-N 0 0 452.396 4.689 20 30 JJEDRN Cc1cc(SCC(=O)N2CCCN(c3ccccc3C#N)CC2)c(C)cc1Br ZINC001443204550 1066278960 /nfs/dbraw/zinc/27/89/60/1066278960.db2.gz JYXBFYRLJKAMJQ-UHFFFAOYSA-N 0 0 458.425 4.769 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccccc2Br)C1 ZINC001454493746 1066292499 /nfs/dbraw/zinc/29/24/99/1066292499.db2.gz QDVIJRCZWVUVDH-LJQANCHMSA-N 0 0 451.405 4.700 20 30 JJEDRN N#Cc1ccccc1N1CCC(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC001454521950 1066295744 /nfs/dbraw/zinc/29/57/44/1066295744.db2.gz SBOVMPQDPCKGPT-UHFFFAOYSA-N 0 0 458.949 4.863 20 30 JJEDRN Cc1cccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)c1 ZINC001361061091 1066301038 /nfs/dbraw/zinc/30/10/38/1066301038.db2.gz DECCFCJIRQOLSC-UHFFFAOYSA-N 0 0 490.608 4.850 20 30 JJEDRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)cc2)c(C)c1C ZINC001454651253 1066314737 /nfs/dbraw/zinc/31/47/37/1066314737.db2.gz JGWLOTQNZXYRIZ-GGAORHGYSA-N 0 0 453.608 4.794 20 30 JJEDRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(CC#N)CC2)ccc1F ZINC001361083545 1066321975 /nfs/dbraw/zinc/32/19/75/1066321975.db2.gz BAPUUBRMZWGAPX-QFIPXVFZSA-N 0 0 482.604 4.976 20 30 JJEDRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)ccc1F ZINC001361084624 1066323058 /nfs/dbraw/zinc/32/30/58/1066323058.db2.gz SZQWZGVHCUQUHM-LVXARBLLSA-N 0 0 482.604 4.976 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)CC#N ZINC001443569878 1066329330 /nfs/dbraw/zinc/32/93/30/1066329330.db2.gz SLAHWMQHDSVFQB-HXOBKFHXSA-N 0 0 451.954 4.797 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H](C)CC#N)n1Cc1cnn2ccccc12 ZINC001361088513 1066331076 /nfs/dbraw/zinc/33/10/76/1066331076.db2.gz WXZVWNJPVVUCLG-LJQANCHMSA-N 0 0 478.000 4.686 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1OCCC1(C)C ZINC001361088877 1066333038 /nfs/dbraw/zinc/33/30/38/1066333038.db2.gz MRRPWJVVDVVEBW-RDPSFJRHSA-N 0 0 475.996 4.509 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1OCCC1(C)C ZINC001361088879 1066333393 /nfs/dbraw/zinc/33/33/93/1066333393.db2.gz MRRPWJVVDVVEBW-YKSBVNFPSA-N 0 0 475.996 4.509 20 30 JJEDRN CC(C)n1c2ccc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2nc1C(F)(F)F ZINC001454873403 1066336995 /nfs/dbraw/zinc/33/69/95/1066336995.db2.gz ATKFZCFJKCNNIK-UHFFFAOYSA-N 0 0 459.447 4.609 20 30 JJEDRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001546066597 1066342625 /nfs/dbraw/zinc/34/26/25/1066342625.db2.gz RFAZZHVRYKKUKY-VWLOTQADSA-N 0 0 452.603 4.746 20 30 JJEDRN C=CCOc1ccccc1CN(C(=O)C[C@@](C)(O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC001443638681 1066342644 /nfs/dbraw/zinc/34/26/44/1066342644.db2.gz YBWFNVYUYHVIGC-MUUNZHRXSA-N 0 0 459.542 4.854 20 30 JJEDRN CC[C@H](C)[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)c1ccccc1 ZINC001443671717 1066346975 /nfs/dbraw/zinc/34/69/75/1066346975.db2.gz UUTHAQOOBVDHQG-TZYHBYERSA-N 0 0 454.412 4.988 20 30 JJEDRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC001443698827 1066352567 /nfs/dbraw/zinc/35/25/67/1066352567.db2.gz HSPFBQDCNKAOIU-ZRBLBEILSA-N 0 0 452.396 4.720 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 ZINC001545961373 1066355983 /nfs/dbraw/zinc/35/59/83/1066355983.db2.gz ULYBWPOOARXLMG-DOTOQJQBSA-N 0 0 472.412 4.692 20 30 JJEDRN C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001443755413 1066362685 /nfs/dbraw/zinc/36/26/85/1066362685.db2.gz IHMFQDIIIYKLQV-GFCCVEGCSA-N 0 0 457.499 4.581 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)NCC(=O)c3sc4ccccc4c3Cl)CC2)c(F)c1 ZINC001455157178 1066366480 /nfs/dbraw/zinc/36/64/80/1066366480.db2.gz FOXGAHNGGRAMSK-UHFFFAOYSA-N 0 0 455.942 4.781 20 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ZINC001361126209 1066383028 /nfs/dbraw/zinc/38/30/28/1066383028.db2.gz NYEPZWSAMFUYHM-UHFFFAOYSA-N 0 0 458.610 4.975 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545963195 1066385242 /nfs/dbraw/zinc/38/52/42/1066385242.db2.gz RGSSXYPLZGZXFP-JOCHJYFZSA-N 0 0 466.630 4.992 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2nccnc2C)c1 ZINC001361127102 1066386689 /nfs/dbraw/zinc/38/66/89/1066386689.db2.gz FAYVRFLPXKFVOQ-HHHXNRCGSA-N 0 0 473.625 4.760 20 30 JJEDRN Cc1nnc(CCCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@@](F)(C#N)C2)s1 ZINC001361127933 1066390473 /nfs/dbraw/zinc/39/04/73/1066390473.db2.gz QJHBVAKMTYIAIH-XMMPIXPASA-N 0 0 483.617 4.524 20 30 JJEDRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)c3cccc(C#N)c3)c2)c1 ZINC001455782264 1066430997 /nfs/dbraw/zinc/43/09/97/1066430997.db2.gz SMJJGFKSHVNQOZ-INIZCTEOSA-N 0 0 453.951 4.812 20 30 JJEDRN C[C@@H](CN(C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC001546076261 1066432851 /nfs/dbraw/zinc/43/28/51/1066432851.db2.gz JNQSZDZCOYHKDZ-INIZCTEOSA-N 0 0 450.589 4.621 20 30 JJEDRN C#CCN(C(=O)c1cnc(-c2ccc(C)cc2C)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455808688 1066435256 /nfs/dbraw/zinc/43/52/56/1066435256.db2.gz APVNOQKBFOWOOH-UHFFFAOYSA-N 0 0 453.608 4.902 20 30 JJEDRN C#CCN(C(=O)c1ccc(OCCC(C)C)c(OC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455813677 1066436874 /nfs/dbraw/zinc/43/68/74/1066436874.db2.gz SMPPPYFYTKBGPG-UHFFFAOYSA-N 0 0 458.599 4.595 20 30 JJEDRN N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)c1 ZINC001444292590 1066444103 /nfs/dbraw/zinc/44/41/03/1066444103.db2.gz GYYQGYHIOGLJAP-UHFFFAOYSA-N 0 0 458.898 4.608 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCCOC2CCCC2)c1 ZINC001361153401 1066449935 /nfs/dbraw/zinc/44/99/35/1066449935.db2.gz ZKQQMEHULKSPCK-UHFFFAOYSA-N 0 0 451.615 4.953 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)Cc2cccs2)c1 ZINC001361155110 1066453034 /nfs/dbraw/zinc/45/30/34/1066453034.db2.gz LSZIGSXBXUHLAM-KOSHJBKYSA-N 0 0 453.587 4.856 20 30 JJEDRN Cn1c(C(F)(F)F)nc2cncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c21 ZINC001455935079 1066455231 /nfs/dbraw/zinc/45/52/31/1066455231.db2.gz UMLSZAGCFPCKKN-UHFFFAOYSA-N 0 0 451.408 4.690 20 30 JJEDRN C=CCN1C(=O)c2ccc(C(=O)O[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc2C1=O ZINC001361156983 1066459960 /nfs/dbraw/zinc/45/99/60/1066459960.db2.gz LGNGMJCZXSSEEE-INIZCTEOSA-N 0 0 457.326 4.948 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC001455960154 1066460648 /nfs/dbraw/zinc/46/06/48/1066460648.db2.gz JPCVTOQYBMQFEE-HXUWFJFHSA-N 0 0 457.571 4.664 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC001361161442 1066467143 /nfs/dbraw/zinc/46/71/43/1066467143.db2.gz NKOQJKPBPMFXHB-UHFFFAOYSA-N 0 0 453.258 4.914 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC001456024350 1066480640 /nfs/dbraw/zinc/48/06/40/1066480640.db2.gz IMAJSWDVKNXKHK-WOJBJXKFSA-N 0 0 451.542 4.628 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2noc3c2CCCC3)cc1Br ZINC001361169333 1066482921 /nfs/dbraw/zinc/48/29/21/1066482921.db2.gz BJPCMXTUUKUXCK-OAHLLOKOSA-N 0 0 469.387 4.670 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1Cl)c1ccccc1OC ZINC001444667177 1066490802 /nfs/dbraw/zinc/49/08/02/1066490802.db2.gz LRSXMJSHDFUYJU-IFMALSPDSA-N 0 0 456.970 4.861 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2cn3ccccc3n2)cc1Br ZINC001361175596 1066493388 /nfs/dbraw/zinc/49/33/88/1066493388.db2.gz RXBYQLOIJOKORP-MRXNPFEDSA-N 0 0 478.398 4.502 20 30 JJEDRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001546078956 1066498968 /nfs/dbraw/zinc/49/89/68/1066498968.db2.gz CKMRQESBNYYGTI-OSPHWJPCSA-N 0 0 466.611 4.567 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC001444770296 1066503321 /nfs/dbraw/zinc/50/33/21/1066503321.db2.gz QREKGTOLMIYVFV-HSZRJFAPSA-N 0 0 451.567 4.544 20 30 JJEDRN Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(I)cc2)o1 ZINC001361190939 1066516792 /nfs/dbraw/zinc/51/67/92/1066516792.db2.gz BWYPLQWSPVTEAG-UHFFFAOYSA-N 0 0 487.345 4.630 20 30 JJEDRN Cc1cc(C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC001444927682 1066518846 /nfs/dbraw/zinc/51/88/46/1066518846.db2.gz BFTDFTLTTRRQJO-HSZRJFAPSA-N 0 0 452.599 4.977 20 30 JJEDRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001546080035 1066521082 /nfs/dbraw/zinc/52/10/82/1066521082.db2.gz ZKPLWZITWTZSIT-SANMLTNESA-N 0 0 478.597 4.707 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC001456147955 1066521997 /nfs/dbraw/zinc/52/19/97/1066521997.db2.gz WDUOUBYVFLBBCH-UHFFFAOYSA-N 0 0 454.555 4.826 20 30 JJEDRN Cc1ccccc1Oc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001456159414 1066525607 /nfs/dbraw/zinc/52/56/07/1066525607.db2.gz VGYWNHLBEBKBDC-FQEVSTJZSA-N 0 0 459.933 4.982 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCC[C@H]2C)cc1Br ZINC001361199976 1066529415 /nfs/dbraw/zinc/52/94/15/1066529415.db2.gz KSMPPMSWWIDDQB-HXOBKFHXSA-N 0 0 472.431 4.697 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2Cc2cccc(OCC(F)(F)F)c2)o1 ZINC001361200000 1066529622 /nfs/dbraw/zinc/52/96/22/1066529622.db2.gz LATNEPWACRQTHP-UHFFFAOYSA-N 0 0 459.472 4.966 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCn2cc(Cl)cn2)cc1Br ZINC001361202362 1066532344 /nfs/dbraw/zinc/53/23/44/1066532344.db2.gz OCWBCOCUKDPMMZ-UHFFFAOYSA-N 0 0 488.821 4.696 20 30 JJEDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 ZINC001445096268 1066539245 /nfs/dbraw/zinc/53/92/45/1066539245.db2.gz XUYASCWUPIYQFG-JOCHJYFZSA-N 0 0 455.436 4.729 20 30 JJEDRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC001456272679 1066551870 /nfs/dbraw/zinc/55/18/70/1066551870.db2.gz FPSJSBOREBCKTA-FQEVSTJZSA-N 0 0 454.452 4.519 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)Cc2cc(Cl)ccc2Br)ccc1OC ZINC001456287756 1066555826 /nfs/dbraw/zinc/55/58/26/1066555826.db2.gz CMEDWBIWRVGTPY-INIZCTEOSA-N 0 0 451.748 4.651 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1OC ZINC001456302215 1066558578 /nfs/dbraw/zinc/55/85/78/1066558578.db2.gz IYLHKXHEZJJQPR-HSZRJFAPSA-N 0 0 455.514 4.757 20 30 JJEDRN N#Cc1ccc(Nc2cccc(C(=O)N3CCCN(C(=O)CCc4ccccc4)CC3)c2)cc1 ZINC001445341655 1066559516 /nfs/dbraw/zinc/55/95/16/1066559516.db2.gz HRJPPOYTHIMTOB-UHFFFAOYSA-N 0 0 452.558 4.609 20 30 JJEDRN C#CC(C)(C)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2 ZINC001456312853 1066560798 /nfs/dbraw/zinc/56/07/98/1066560798.db2.gz SMGKZPMATNGWES-NBVRZTHBSA-N 0 0 456.542 4.889 20 30 JJEDRN C#CCOc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)cc1 ZINC001456314484 1066561219 /nfs/dbraw/zinc/56/12/19/1066561219.db2.gz JUNFSVJUSYFKTH-UHFFFAOYSA-N 0 0 450.420 4.946 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C)C2)c1 ZINC001445375890 1066564843 /nfs/dbraw/zinc/56/48/43/1066564843.db2.gz WPZGYMHHVLJSAG-OAHLLOKOSA-N 0 0 453.391 4.857 20 30 JJEDRN C[C@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001445435408 1066570926 /nfs/dbraw/zinc/57/09/26/1066570926.db2.gz JHFLCXZZIDSWPZ-MJGOQNOKSA-N 0 0 452.517 4.846 20 30 JJEDRN COCCN(CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001456375435 1066573279 /nfs/dbraw/zinc/57/32/79/1066573279.db2.gz VSIPZIFXLAIZNV-UHFFFAOYSA-N 0 0 457.958 4.628 20 30 JJEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CC(Cc4cccc(OC(F)(F)F)c4)C3)o2)cc1 ZINC001445485749 1066576305 /nfs/dbraw/zinc/57/63/05/1066576305.db2.gz JMISPACZRKNADX-UHFFFAOYSA-N 0 0 456.420 4.944 20 30 JJEDRN Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361236740 1066577270 /nfs/dbraw/zinc/57/72/70/1066577270.db2.gz KLDTYGAQVXZIBS-HXUWFJFHSA-N 0 0 472.515 4.944 20 30 JJEDRN C#CCN(C(=O)CCCOc1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001456442228 1066587319 /nfs/dbraw/zinc/58/73/19/1066587319.db2.gz CGTZLQBGPYNAPR-NRFANRHFSA-N 0 0 458.352 4.602 20 30 JJEDRN CC1(C(=O)NCC(=O)c2cc3c(s2)CCCC3)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001456560382 1066624782 /nfs/dbraw/zinc/62/47/82/1066624782.db2.gz CZKKJRPIGLQXAP-UHFFFAOYSA-N 0 0 456.011 4.758 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001456574304 1066629553 /nfs/dbraw/zinc/62/95/53/1066629553.db2.gz NDTPSKNNHSHUHB-MSOLQXFVSA-N 0 0 452.979 4.530 20 30 JJEDRN O=C(c1ccc(N2CCCCC2)cc1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001456583669 1066633050 /nfs/dbraw/zinc/63/30/50/1066633050.db2.gz FBBPLOYRCLVRPC-HUUCEWRRSA-N 0 0 456.377 4.920 20 30 JJEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001361288747 1066647133 /nfs/dbraw/zinc/64/71/33/1066647133.db2.gz SFZKGUQTBRRXIM-UHFFFAOYSA-N 0 0 457.921 4.861 20 30 JJEDRN N#Cc1ccc(-c2cccc(CNC(=O)COc3cccc(Br)c3C#N)c2)s1 ZINC001456656150 1066660815 /nfs/dbraw/zinc/66/08/15/1066660815.db2.gz AZFVQAFRZAJFKN-UHFFFAOYSA-N 0 0 452.333 4.616 20 30 JJEDRN C=CCn1c(SCC(=O)N2CC3(C2)CC(F)(F)C3)nnc1-c1ccc(Cl)cc1Cl ZINC001545981237 1066662531 /nfs/dbraw/zinc/66/25/31/1066662531.db2.gz MSJUGYYCGUFGIS-UHFFFAOYSA-N 0 0 459.349 4.788 20 30 JJEDRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC001446185157 1066670270 /nfs/dbraw/zinc/67/02/70/1066670270.db2.gz IEZWGPIXYJEANG-HXUWFJFHSA-N 0 0 453.292 4.737 20 30 JJEDRN CN1CC[C@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@@H]1c1ccc(F)cc1 ZINC001446196850 1066674183 /nfs/dbraw/zinc/67/41/83/1066674183.db2.gz RAORRTSOVUTFSK-GMAHTHKFSA-N 0 0 454.977 4.519 20 30 JJEDRN COc1cccc(C(=O)c2ccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)cc2)c1 ZINC001456784931 1066689788 /nfs/dbraw/zinc/68/97/88/1066689788.db2.gz JNKFJRBTGGECHV-UHFFFAOYSA-N 0 0 450.498 4.853 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1C ZINC001456790215 1066690806 /nfs/dbraw/zinc/69/08/06/1066690806.db2.gz QESUZNQAOCPRGH-UHFFFAOYSA-N 0 0 455.543 4.605 20 30 JJEDRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1=O ZINC001456787754 1066690837 /nfs/dbraw/zinc/69/08/37/1066690837.db2.gz PBKDOIVZSQOANV-UTKZUKDTSA-N 0 0 455.562 4.866 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)c1C ZINC001456790650 1066690912 /nfs/dbraw/zinc/69/09/12/1066690912.db2.gz SMBVTXMCNMQOCO-AWEZNQCLSA-N 0 0 457.303 4.668 20 30 JJEDRN Cc1cnn(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(C)(C#N)CC2)c1 ZINC001492627958 1066698715 /nfs/dbraw/zinc/69/87/15/1066698715.db2.gz QRQRANUMKBBOGY-UHFFFAOYSA-N 0 0 456.019 4.559 20 30 JJEDRN Cc1cnn(CCn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCC(C)(C#N)CC2)c1 ZINC001492627743 1066698760 /nfs/dbraw/zinc/69/87/60/1066698760.db2.gz JNJLBAVTQONROQ-UHFFFAOYSA-N 0 0 482.032 4.587 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC001446380884 1066699101 /nfs/dbraw/zinc/69/91/01/1066699101.db2.gz VVYGSVZKJGWMSG-HSZRJFAPSA-N 0 0 456.533 4.542 20 30 JJEDRN Cc1cn2c(n1)[C@H](Cn1c(COc3ccc(C#N)cc3)nnc1N(CC(C)C)C(C)C)CCC2 ZINC001492628664 1066700287 /nfs/dbraw/zinc/70/02/87/1066700287.db2.gz JXKVMABOPZGZPY-QFIPXVFZSA-N 0 0 461.614 4.682 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(C)OC(C)(C)C2)s1 ZINC001492630202 1066703348 /nfs/dbraw/zinc/70/33/48/1066703348.db2.gz PSDTTXGDTGPFSY-MRXNPFEDSA-N 0 0 450.612 4.779 20 30 JJEDRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1 ZINC001456867074 1066710205 /nfs/dbraw/zinc/71/02/05/1066710205.db2.gz YOLLMXDQJDLJQX-MRXNPFEDSA-N 0 0 452.486 4.878 20 30 JJEDRN N#CCC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccc1 ZINC001446493339 1066710841 /nfs/dbraw/zinc/71/08/41/1066710841.db2.gz MKVLJYOLORYXTQ-JOCHJYFZSA-N 0 0 455.486 4.540 20 30 JJEDRN C=CCC[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)c1ccccc1 ZINC001446507447 1066712171 /nfs/dbraw/zinc/71/21/71/1066712171.db2.gz VCKYDZNIYLLKQT-LEWJYISDSA-N 0 0 453.587 4.678 20 30 JJEDRN N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1C#N ZINC001456905472 1066717906 /nfs/dbraw/zinc/71/79/06/1066717906.db2.gz BMHKDQKVKDDKIV-UHFFFAOYSA-N 0 0 454.490 4.548 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@H](C)C#N)n1 ZINC001492638041 1066725645 /nfs/dbraw/zinc/72/56/45/1066725645.db2.gz CIURKKVSZSQJJK-CABCVRRESA-N 0 0 489.443 4.784 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(C)OC(C)(C)C2)n1 ZINC001492638500 1066726699 /nfs/dbraw/zinc/72/66/99/1066726699.db2.gz GIVOHGOQLAIJMU-MRXNPFEDSA-N 0 0 450.612 4.779 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)n1 ZINC001492640556 1066731804 /nfs/dbraw/zinc/73/18/04/1066731804.db2.gz YKJCTHGSFGSGEQ-PXNSSMCTSA-N 0 0 499.685 4.701 20 30 JJEDRN Cc1csc([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(F)F)C2)n1 ZINC001492641021 1066733400 /nfs/dbraw/zinc/73/34/00/1066733400.db2.gz AWKDMMASSYUKQM-SFHVURJKSA-N 0 0 458.538 4.595 20 30 JJEDRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)C(F)(F)c1ccccc1C#N ZINC001457010531 1066741181 /nfs/dbraw/zinc/74/11/81/1066741181.db2.gz RSXSPBMHELETOS-UHFFFAOYSA-N 0 0 455.505 4.697 20 30 JJEDRN Cc1csc(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@@H]2C)n1 ZINC001492644337 1066741800 /nfs/dbraw/zinc/74/18/00/1066741800.db2.gz KPEPDIVBNBYLDQ-SFHVURJKSA-N 0 0 450.612 4.608 20 30 JJEDRN Cc1csc(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)n1 ZINC001492644600 1066742788 /nfs/dbraw/zinc/74/27/88/1066742788.db2.gz TXDQHNZNAMVIHL-ZWKOTPCHSA-N 0 0 452.653 4.935 20 30 JJEDRN C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001457015209 1066743493 /nfs/dbraw/zinc/74/34/93/1066743493.db2.gz RPGZTAXDAAAANG-HNNXBMFYSA-N 0 0 456.470 4.820 20 30 JJEDRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 ZINC001457019874 1066744954 /nfs/dbraw/zinc/74/49/54/1066744954.db2.gz XXPKSPGSLVQECL-JOCHJYFZSA-N 0 0 459.477 4.742 20 30 JJEDRN Cc1csc(Cn2c(-c3ccc(Br)s3)nnc2N(CCC#N)CC2CC2)n1 ZINC001492649160 1066756027 /nfs/dbraw/zinc/75/60/27/1066756027.db2.gz SQTBIGUFQHGKGY-UHFFFAOYSA-N 0 0 463.430 4.712 20 30 JJEDRN Cc1csc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)C(C)C)CC2)n1 ZINC001492652511 1066760250 /nfs/dbraw/zinc/76/02/50/1066760250.db2.gz GIQDAFCXVFRYCD-UHFFFAOYSA-N 0 0 479.654 4.503 20 30 JJEDRN Cc1csc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(CCC#N)CCC(C)C)n1 ZINC001492652721 1066760779 /nfs/dbraw/zinc/76/07/79/1066760779.db2.gz ZSSKKXLQICTULC-IBGZPJMESA-N 0 0 487.674 4.930 20 30 JJEDRN Cc1nc(C)c(CCn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)CC#N)s1 ZINC001492654745 1066764843 /nfs/dbraw/zinc/76/48/43/1066764843.db2.gz AUMYXPDHGKDOBW-NSHDSACASA-N 0 0 465.446 4.824 20 30 JJEDRN Cc1nc(C)c(CCn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)CC#N)s1 ZINC001492654744 1066764849 /nfs/dbraw/zinc/76/48/49/1066764849.db2.gz AUMYXPDHGKDOBW-LLVKDONJSA-N 0 0 465.446 4.824 20 30 JJEDRN Cc1cscc1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001492655577 1066766797 /nfs/dbraw/zinc/76/67/97/1066766797.db2.gz JXXZMPDTEZGRTO-AUUYWEPGSA-N 0 0 461.513 4.782 20 30 JJEDRN Cc1nc(C)c(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)s1 ZINC001492655709 1066767314 /nfs/dbraw/zinc/76/73/14/1066767314.db2.gz XGUYTBZOMGDFOZ-OAQYLSRUSA-N 0 0 464.639 4.917 20 30 JJEDRN Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)s1 ZINC001492657362 1066770887 /nfs/dbraw/zinc/77/08/87/1066770887.db2.gz RLMABEQAJUSPOY-OAQYLSRUSA-N 0 0 464.639 4.917 20 30 JJEDRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@](F)(C#N)C2)s1 ZINC001492659247 1066775190 /nfs/dbraw/zinc/77/51/90/1066775190.db2.gz VMPQPMCNRFWLBM-UZUQRXQVSA-N 0 0 454.575 4.599 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001447291247 1066788744 /nfs/dbraw/zinc/78/87/44/1066788744.db2.gz JHAWGTAKDNTQQU-FQEVSTJZSA-N 0 0 457.958 4.591 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCSc2nccs2)cs1 ZINC001492666256 1066791121 /nfs/dbraw/zinc/79/11/21/1066791121.db2.gz MUBIAAMLXPAFIA-UHFFFAOYSA-N 0 0 481.676 4.781 20 30 JJEDRN Cc1ccc(C#N)cc1NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC001457269094 1066800168 /nfs/dbraw/zinc/80/01/68/1066800168.db2.gz WCPCOPDAEOAKCA-UHFFFAOYSA-N 0 0 453.951 4.593 20 30 JJEDRN C=CC[C@@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)CCCN1C(=O)OC(C)(C)C ZINC001457361437 1066816690 /nfs/dbraw/zinc/81/66/90/1066816690.db2.gz UATFILOJRNHJMN-YKSBVNFPSA-N 0 0 458.990 4.588 20 30 JJEDRN C[C@@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001447596700 1066827252 /nfs/dbraw/zinc/82/72/52/1066827252.db2.gz UZZGXECPZFMDJZ-MRXNPFEDSA-N 0 0 451.448 4.851 20 30 JJEDRN Cc1nc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)cs1 ZINC001492687431 1066832664 /nfs/dbraw/zinc/83/26/64/1066832664.db2.gz XIADEWISQNQJQH-WAIKUNEKSA-N 0 0 454.575 4.695 20 30 JJEDRN Cc1nc(CCn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@](C)(C#N)C2)cs1 ZINC001492687640 1066833098 /nfs/dbraw/zinc/83/30/98/1066833098.db2.gz LPFUDDGZGJPRIJ-OAQYLSRUSA-N 0 0 471.428 4.845 20 30 JJEDRN CC[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)Oc1cccc(C(F)(F)F)c1 ZINC001457470519 1066837962 /nfs/dbraw/zinc/83/79/62/1066837962.db2.gz DKGZSWXXQTTZNB-QGZVFWFLSA-N 0 0 455.274 4.856 20 30 JJEDRN N#Cc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)cc1 ZINC001447660757 1066838571 /nfs/dbraw/zinc/83/85/71/1066838571.db2.gz LKNSCDKWRIQBTQ-UHFFFAOYSA-N 0 0 458.949 4.533 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@H]2C)s1 ZINC001492695509 1066842722 /nfs/dbraw/zinc/84/27/22/1066842722.db2.gz DNYRBTPCFLRGGB-VGOFRKELSA-N 0 0 450.612 4.813 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC001457493074 1066842919 /nfs/dbraw/zinc/84/29/19/1066842919.db2.gz BKSKZXUPZKTWHS-UHFFFAOYSA-N 0 0 452.898 4.945 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCn3c(Br)cnc3C2)cc1Cl ZINC001447697401 1066844067 /nfs/dbraw/zinc/84/40/67/1066844067.db2.gz JYUKYTJAWBVEGP-UHFFFAOYSA-N 0 0 457.715 4.619 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)s1 ZINC001492695985 1066844738 /nfs/dbraw/zinc/84/47/38/1066844738.db2.gz SNDOZPHBSODRNQ-UNMCSNQZSA-N 0 0 450.612 4.669 20 30 JJEDRN CCCCn1nc(C)c(-c2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)n[nH]2)c1C ZINC001457502457 1066844825 /nfs/dbraw/zinc/84/48/25/1066844825.db2.gz IRQNLQKUPUXFTE-UHFFFAOYSA-N 0 0 459.579 4.861 20 30 JJEDRN O=C(CNC(=O)c1ccc(F)cc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001447752261 1066852790 /nfs/dbraw/zinc/85/27/90/1066852790.db2.gz LPSSINGDXMVROB-HNNXBMFYSA-N 0 0 454.317 4.523 20 30 JJEDRN C=CCCN(OCc1ccccc1)C(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC001447761408 1066855001 /nfs/dbraw/zinc/85/50/01/1066855001.db2.gz WXCJUIHPDVQAHJ-UHFFFAOYSA-N 0 0 456.970 4.737 20 30 JJEDRN Cc1ncc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)s1 ZINC001492700155 1066856245 /nfs/dbraw/zinc/85/62/45/1066856245.db2.gz FVSRCDRMWIYCQA-SFHVURJKSA-N 0 0 481.782 4.616 20 30 JJEDRN CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1C(F)F ZINC001447914494 1066875988 /nfs/dbraw/zinc/87/59/88/1066875988.db2.gz OBFCLITZCOKZSL-UHFFFAOYSA-N 0 0 456.337 4.990 20 30 JJEDRN COc1c(Br)c(C)sc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001546092394 1066876876 /nfs/dbraw/zinc/87/68/76/1066876876.db2.gz XYNONTDCNIJUJK-UHFFFAOYSA-N 0 0 451.733 4.791 20 30 JJEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(-c2cccs2)nc2ccc(C)cc21 ZINC001457620769 1066882169 /nfs/dbraw/zinc/88/21/69/1066882169.db2.gz SEAJQDSYTOFSNO-UHFFFAOYSA-N 0 0 459.531 4.811 20 30 JJEDRN CCCc1c(NC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cnn1-c1cccc(C#N)c1 ZINC001447957738 1066882797 /nfs/dbraw/zinc/88/27/97/1066882797.db2.gz HNMMWVIQVQUYEA-BKMJKUGQSA-N 0 0 463.582 4.815 20 30 JJEDRN C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(N(C)C)cc1 ZINC001447965129 1066884518 /nfs/dbraw/zinc/88/45/18/1066884518.db2.gz DYIJJZBPUAEGRZ-SFHVURJKSA-N 0 0 458.587 4.846 20 30 JJEDRN COc1cc(C#N)cc(Br)c1OC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001457665088 1066893187 /nfs/dbraw/zinc/89/31/87/1066893187.db2.gz NYIVXHZJONYUDM-UHFFFAOYSA-N 0 0 457.305 4.862 20 30 JJEDRN COc1cc(C#N)cc(Br)c1OC(=O)Cc1ccc(Br)c(Cl)c1 ZINC001457666516 1066893785 /nfs/dbraw/zinc/89/37/85/1066893785.db2.gz VHKQIAYYICTFJF-UHFFFAOYSA-N 0 0 459.521 4.893 20 30 JJEDRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001492729690 1066899747 /nfs/dbraw/zinc/89/97/47/1066899747.db2.gz IANPCDWGCSSWPX-SQHAQQRYSA-N 0 0 475.641 4.659 20 30 JJEDRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001492730040 1066900445 /nfs/dbraw/zinc/90/04/45/1066900445.db2.gz OTLJCFJGAAJCEE-SQHAQQRYSA-N 0 0 475.641 4.659 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2cc(Br)cs2)n1 ZINC001492735597 1066909418 /nfs/dbraw/zinc/90/94/18/1066909418.db2.gz BYPFWQFYMMJSOQ-UHFFFAOYSA-N 0 0 496.438 4.520 20 30 JJEDRN C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CSC1(C)C ZINC001448200234 1066909385 /nfs/dbraw/zinc/90/93/85/1066909385.db2.gz NLTWPAVVNNMDRA-DHIUTWEWSA-N 0 0 450.604 4.870 20 30 JJEDRN N#Cc1ccc(NC2CC2)c(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 ZINC001448360611 1066919944 /nfs/dbraw/zinc/91/99/44/1066919944.db2.gz ZPJPFERNCSBQOR-QHCPKHFHSA-N 0 0 455.518 4.663 20 30 JJEDRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(C#N)c(Cl)c3)c2)c1 ZINC001448371713 1066920748 /nfs/dbraw/zinc/92/07/48/1066920748.db2.gz NJNYJOBAGDLBBT-UHFFFAOYSA-N 0 0 453.951 4.559 20 30 JJEDRN CCOc1ccccc1[C@@H](CC(=O)NCc1ccc(C#N)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001448374418 1066920880 /nfs/dbraw/zinc/92/08/80/1066920880.db2.gz QNIAYHPRSMODPN-HXUWFJFHSA-N 0 0 457.958 4.883 20 30 JJEDRN CC[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C)(C#N)CC1)NC(=O)OC(C)(C)C ZINC001546005828 1066925812 /nfs/dbraw/zinc/92/58/12/1066925812.db2.gz KEAOKTULBXFPKM-QFIPXVFZSA-N 0 0 480.657 4.887 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](c4ccccc4)[C@H](C#N)C3)n2CCCSCC(C)C)n1 ZINC001492756560 1066928094 /nfs/dbraw/zinc/92/80/94/1066928094.db2.gz FEYFXIHLZDHUMJ-RPWUZVMVSA-N 0 0 477.682 4.663 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC001448449280 1066928998 /nfs/dbraw/zinc/92/89/98/1066928998.db2.gz LQZIYFAJKKOPDZ-LEWJYISDSA-N 0 0 458.480 4.576 20 30 JJEDRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)n1 ZINC001492760244 1066932441 /nfs/dbraw/zinc/93/24/41/1066932441.db2.gz YVMFHCOFYZZBEL-FQEVSTJZSA-N 0 0 465.577 4.591 20 30 JJEDRN C=CCOC[C@H](NC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)C(=O)OC ZINC001448493426 1066932996 /nfs/dbraw/zinc/93/29/96/1066932996.db2.gz ICMDLGIKVWAMQS-PKOBYXMFSA-N 0 0 454.375 4.687 20 30 JJEDRN C#CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC001457874803 1066934435 /nfs/dbraw/zinc/93/44/35/1066934435.db2.gz DHSBZCPTKGHPEN-OAHLLOKOSA-N 0 0 451.375 4.670 20 30 JJEDRN C#CC1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(Cl)cc2Cl)CC1 ZINC001457876863 1066934624 /nfs/dbraw/zinc/93/46/24/1066934624.db2.gz IMLQKPHRAVRXCP-UHFFFAOYSA-N 0 0 451.375 4.588 20 30 JJEDRN Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC001492762433 1066935389 /nfs/dbraw/zinc/93/53/89/1066935389.db2.gz RJTNVOSGBDBHSV-AUSIDOKSSA-N 0 0 461.614 4.647 20 30 JJEDRN Cc1cc(C)n(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(C#N)CC2)n1 ZINC001492762496 1066935443 /nfs/dbraw/zinc/93/54/43/1066935443.db2.gz UDDLIMUHAMAEPD-UHFFFAOYSA-N 0 0 475.641 4.798 20 30 JJEDRN Cc1nnc(CCCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)s1 ZINC001492765282 1066936583 /nfs/dbraw/zinc/93/65/83/1066936583.db2.gz BJDVSHSWNLNMGM-INIZCTEOSA-N 0 0 486.045 4.994 20 30 JJEDRN Cc1nnc(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2cccs2)s1 ZINC001492767240 1066940085 /nfs/dbraw/zinc/94/00/85/1066940085.db2.gz KXKPLUJEFQQHAY-INIZCTEOSA-N 0 0 479.635 4.780 20 30 JJEDRN Cc1nnc(Cn2c(Cc3ccccc3F)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC001492772451 1066944876 /nfs/dbraw/zinc/94/48/76/1066944876.db2.gz BBOCMYVCYGQXKA-UHFFFAOYSA-N 0 0 494.440 4.537 20 30 JJEDRN C=CC[C@H]1N(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CCCC1(C)C ZINC001448674992 1066949071 /nfs/dbraw/zinc/94/90/71/1066949071.db2.gz QZCIHYNHLLVAHX-LEWJYISDSA-N 0 0 458.599 4.607 20 30 JJEDRN C=CC1(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001448769366 1066956216 /nfs/dbraw/zinc/95/62/16/1066956216.db2.gz GMKWSOMREVRGPE-MRXNPFEDSA-N 0 0 454.398 4.502 20 30 JJEDRN O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N(O)Cc1cccc2ccccc21 ZINC001458015522 1066957338 /nfs/dbraw/zinc/95/73/38/1066957338.db2.gz FHTGCZKHANFEJG-UHFFFAOYSA-N 0 0 450.491 4.811 20 30 JJEDRN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448828169 1066960312 /nfs/dbraw/zinc/96/03/12/1066960312.db2.gz KTEXEJZBKIWWHA-DNVCBOLYSA-N 0 0 457.024 4.839 20 30 JJEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC001448834872 1066961118 /nfs/dbraw/zinc/96/11/18/1066961118.db2.gz QZZHTBKPZJSJLM-GOSISDBHSA-N 0 0 453.167 4.779 20 30 JJEDRN CN(c1ccc(Oc2nc(C(F)(F)F)ccc2C#N)cc1)S(=O)(=O)c1ccccc1F ZINC001458057766 1066963581 /nfs/dbraw/zinc/96/35/81/1066963581.db2.gz GRWBDEWQBMGODU-UHFFFAOYSA-N 0 0 451.401 4.729 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)cs2)CC1 ZINC001448848451 1066963875 /nfs/dbraw/zinc/96/38/75/1066963875.db2.gz RWAVIMXOYJIKSU-IBGZPJMESA-N 0 0 452.580 4.547 20 30 JJEDRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C)(C#N)CC1 ZINC001545706644 1066968222 /nfs/dbraw/zinc/96/82/22/1066968222.db2.gz VWTGPLWAUGYPHB-NRFANRHFSA-N 0 0 480.657 4.724 20 30 JJEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1nc(OC)cc(C(F)(F)F)n1 ZINC001458078350 1066968776 /nfs/dbraw/zinc/96/87/76/1066968776.db2.gz HUMJKAGFXKAUGM-UHFFFAOYSA-N 0 0 457.865 4.665 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC001545709896 1066969702 /nfs/dbraw/zinc/96/97/02/1066969702.db2.gz NFPCPWZXEODXPQ-FPOVZHCZSA-N 0 0 450.585 4.736 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC001545709898 1066969869 /nfs/dbraw/zinc/96/98/69/1066969869.db2.gz NFPCPWZXEODXPQ-TZIWHRDSSA-N 0 0 450.585 4.736 20 30 JJEDRN N#Cc1cc(Cl)c(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c(Cl)c1 ZINC001448927735 1066970881 /nfs/dbraw/zinc/97/08/81/1066970881.db2.gz FIMNRYSCXUVDQH-UHFFFAOYSA-N 0 0 452.095 4.608 20 30 JJEDRN C#CC[C@H](NC(=O)c1cc(I)ccc1Br)c1ccccc1 ZINC001458089073 1066971362 /nfs/dbraw/zinc/97/13/62/1066971362.db2.gz NVVFJATZWRYZJL-INIZCTEOSA-N 0 0 454.105 4.548 20 30 JJEDRN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC001545718425 1066972628 /nfs/dbraw/zinc/97/26/28/1066972628.db2.gz GZEPZCFVDXYUAI-UHFFFAOYSA-N 0 0 454.555 4.795 20 30 JJEDRN N#Cc1cc(NC(=O)c2cccn2-c2c(Cl)cccc2Cl)ccc1N1CCC(O)CC1 ZINC001545718966 1066972710 /nfs/dbraw/zinc/97/27/10/1066972710.db2.gz XVEYVQREHFMZKV-UHFFFAOYSA-N 0 0 455.345 4.869 20 30 JJEDRN CCOc1ccc(C(C)(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1OCC ZINC001458093417 1066972898 /nfs/dbraw/zinc/97/28/98/1066972898.db2.gz MESJJLRWCDUBKM-UHFFFAOYSA-N 0 0 451.567 4.535 20 30 JJEDRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001458122388 1066982012 /nfs/dbraw/zinc/98/20/12/1066982012.db2.gz BMHNMAJMODXUKZ-UHFFFAOYSA-N 0 0 459.424 4.731 20 30 JJEDRN C=CCC[C@@H](NC(=O)CCCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC001458137126 1066985479 /nfs/dbraw/zinc/98/54/79/1066985479.db2.gz WFNQTLXCILOEHA-HXUWFJFHSA-N 0 0 450.398 4.827 20 30 JJEDRN C=CCC[C@@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC001458177552 1066997866 /nfs/dbraw/zinc/99/78/66/1066997866.db2.gz WCCHSNBCFYGUIH-MRXNPFEDSA-N 0 0 454.395 4.847 20 30 JJEDRN C#C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(Cl)cc1F ZINC001449315460 1066998685 /nfs/dbraw/zinc/99/86/85/1066998685.db2.gz JREZYAUCEGFOHW-PKTZIBPZSA-N 0 0 450.897 4.537 20 30 JJEDRN C#C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(Cl)cc1F ZINC001449315453 1066998775 /nfs/dbraw/zinc/99/87/75/1066998775.db2.gz JREZYAUCEGFOHW-DHIUTWEWSA-N 0 0 450.897 4.537 20 30 JJEDRN CC(C)[C@@H](C#N)N1CCN(c2cc(C(F)(F)F)nc3c(F)cc(Br)cc32)CC1 ZINC001458192163 1067001206 /nfs/dbraw/zinc/00/12/06/1067001206.db2.gz XXFCCWBYRLXQHU-MRXNPFEDSA-N 0 0 459.285 4.825 20 30 JJEDRN CC(C)n1nnnc1-c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1F ZINC001458243257 1067010389 /nfs/dbraw/zinc/01/03/89/1067010389.db2.gz LMHVWKUCWSPMEB-UHFFFAOYSA-N 0 0 456.481 4.763 20 30 JJEDRN C=CCC1(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC001449610275 1067017914 /nfs/dbraw/zinc/01/79/14/1067017914.db2.gz QVGYUIGCQAVORV-RTBURBONSA-N 0 0 454.640 4.731 20 30 JJEDRN N#Cc1cnc2c(Cl)cccc2c1NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC001458283912 1067020871 /nfs/dbraw/zinc/02/08/71/1067020871.db2.gz AMLOPYLCDHVVNP-UHFFFAOYSA-N 0 0 458.946 4.554 20 30 JJEDRN C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001449700253 1067021683 /nfs/dbraw/zinc/02/16/83/1067021683.db2.gz UQWPKGQVXQGZGG-RBUKOAKNSA-N 0 0 455.583 4.947 20 30 JJEDRN N#CCc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC001449723989 1067023181 /nfs/dbraw/zinc/02/31/81/1067023181.db2.gz DOLIXGQBAMZROY-UHFFFAOYSA-N 0 0 459.449 4.825 20 30 JJEDRN N#Cc1cccnc1OC1CCC(Nc2ncncc2-c2ccc(Br)cc2)CC1 ZINC001458329695 1067032117 /nfs/dbraw/zinc/03/21/17/1067032117.db2.gz LKUGRCRIMWOAJG-UHFFFAOYSA-N 0 0 450.340 4.975 20 30 JJEDRN CC[C@@H](c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545757222 1067035412 /nfs/dbraw/zinc/03/54/12/1067035412.db2.gz VUZASWOKQAYKMY-ZRBLBEILSA-N 0 0 466.699 4.774 20 30 JJEDRN COCC1(CNc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001458367148 1067042966 /nfs/dbraw/zinc/04/29/66/1067042966.db2.gz JICNFXNWZPYHKK-UHFFFAOYSA-N 0 0 456.356 4.535 20 30 JJEDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC001450132430 1067051908 /nfs/dbraw/zinc/05/19/08/1067051908.db2.gz CVQMJKQRYJHEPD-KKSFZXQISA-N 0 0 459.468 4.674 20 30 JJEDRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC001450132424 1067051954 /nfs/dbraw/zinc/05/19/54/1067051954.db2.gz CVQMJKQRYJHEPD-IERDGZPVSA-N 0 0 459.468 4.674 20 30 JJEDRN C[C@@H]1CN(C(=O)Cn2nc(C(F)F)cc2C(F)F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450158595 1067056088 /nfs/dbraw/zinc/05/60/88/1067056088.db2.gz XSDCDBGKDNFSLV-BMIGLBTASA-N 0 0 453.358 4.766 20 30 JJEDRN C=CCN(CCC#N)C(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001450196450 1067058990 /nfs/dbraw/zinc/05/89/90/1067058990.db2.gz PUDJXIQWPSTBAK-NRFANRHFSA-N 0 0 457.574 4.966 20 30 JJEDRN CN(C(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1)c1ccccc1 ZINC001458441150 1067061360 /nfs/dbraw/zinc/06/13/60/1067061360.db2.gz UQVSQRJIAQZATB-NRFANRHFSA-N 0 0 453.420 4.856 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1)OC ZINC001545774008 1067064444 /nfs/dbraw/zinc/06/44/44/1067064444.db2.gz AZJQRNYTNMUEEX-UHFFFAOYSA-N 0 0 492.668 4.641 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC ZINC001545774342 1067066601 /nfs/dbraw/zinc/06/66/01/1067066601.db2.gz MGYBGHHOQWSKSB-UHFFFAOYSA-N 0 0 498.006 4.536 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2ccnn2C)C1)SC ZINC001545775948 1067070045 /nfs/dbraw/zinc/07/00/45/1067070045.db2.gz QFVRNTNABFQISL-NRFANRHFSA-N 0 0 463.655 4.856 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)SC ZINC001545776057 1067070414 /nfs/dbraw/zinc/07/04/14/1067070414.db2.gz UOLHPFVLVMLQTN-FQEVSTJZSA-N 0 0 490.681 4.552 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC001458505492 1067077502 /nfs/dbraw/zinc/07/75/02/1067077502.db2.gz KFIKYYPFIVBKOH-CRAIPNDOSA-N 0 0 450.322 4.802 20 30 JJEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001458509312 1067078206 /nfs/dbraw/zinc/07/82/06/1067078206.db2.gz RINNYNNOVTZQRC-LJQANCHMSA-N 0 0 453.587 4.978 20 30 JJEDRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1)OC ZINC001545784271 1067080429 /nfs/dbraw/zinc/08/04/29/1067080429.db2.gz PCXSPOZIDFRZHI-OAQYLSRUSA-N 0 0 488.677 4.728 20 30 JJEDRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545788072 1067083831 /nfs/dbraw/zinc/08/38/31/1067083831.db2.gz HWOCVOATXLKONK-SFHVURJKSA-N 0 0 472.609 4.687 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC001450476745 1067084050 /nfs/dbraw/zinc/08/40/50/1067084050.db2.gz ALWOOGYYOTXOKP-UHFFFAOYSA-N 0 0 456.315 4.537 20 30 JJEDRN COc1cc(OC)c2ncc(C#N)c(NC[C@H]3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)c2c1 ZINC001458605249 1067093372 /nfs/dbraw/zinc/09/33/72/1067093372.db2.gz PJPXLVQLKDSALX-VBUUOAMHSA-N 0 0 452.555 4.714 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1)OC ZINC001545797844 1067097515 /nfs/dbraw/zinc/09/75/15/1067097515.db2.gz AWBUXITWHKWDQW-QHCPKHFHSA-N 0 0 493.681 4.750 20 30 JJEDRN Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)CCCC2)cc1 ZINC001458624091 1067097741 /nfs/dbraw/zinc/09/77/41/1067097741.db2.gz LZHMHRWZAAFOCG-IBGZPJMESA-N 0 0 451.375 4.769 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)OC ZINC001545797911 1067097915 /nfs/dbraw/zinc/09/79/15/1067097915.db2.gz BYSZIROGKAVVAV-DHIUTWEWSA-N 0 0 453.631 4.909 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC2(CC1)OCCO2)OC ZINC001545798135 1067098888 /nfs/dbraw/zinc/09/88/88/1067098888.db2.gz GKRQZMGEVCNSIU-DEOSSOPVSA-N 0 0 481.641 4.780 20 30 JJEDRN N#C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC001458629089 1067098905 /nfs/dbraw/zinc/09/89/05/1067098905.db2.gz UPBKYTBQGANMRH-KRWDZBQOSA-N 0 0 456.390 4.717 20 30 JJEDRN N#Cc1ccc(C2CCN(c3cnn(-c4ccc(C(F)(F)F)cn4)c(=O)c3Cl)CC2)cc1 ZINC001458658511 1067101960 /nfs/dbraw/zinc/10/19/60/1067101960.db2.gz JXAQHTHHPVSFQS-UHFFFAOYSA-N 0 0 459.859 4.555 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C#N)C1)OC ZINC001545798944 1067103040 /nfs/dbraw/zinc/10/30/40/1067103040.db2.gz UDBZTIOMDHYNID-SFTDATJTSA-N 0 0 471.671 4.846 20 30 JJEDRN C=CCC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O)c1ccc(C(F)(F)F)cc1 ZINC001546025391 1067109523 /nfs/dbraw/zinc/10/95/23/1067109523.db2.gz ITOAIJXLOPKFAN-HXUWFJFHSA-N 0 0 456.468 4.938 20 30 JJEDRN C=CCC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O)c1ccc(C(F)(F)F)cc1 ZINC001546025390 1067109561 /nfs/dbraw/zinc/10/95/61/1067109561.db2.gz ITOAIJXLOPKFAN-FQEVSTJZSA-N 0 0 456.468 4.938 20 30 JJEDRN CCC(CC)[C@H](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)OC ZINC001545803151 1067112075 /nfs/dbraw/zinc/11/20/75/1067112075.db2.gz IRQPLHMYSAOFCQ-RLSLOFABSA-N 0 0 492.640 4.633 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC001450732375 1067113127 /nfs/dbraw/zinc/11/31/27/1067113127.db2.gz ZBVAYAFXDWNGLH-KRWDZBQOSA-N 0 0 455.958 4.504 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c1 ZINC001450738686 1067113561 /nfs/dbraw/zinc/11/35/61/1067113561.db2.gz FIFPZOKFXZQZPA-QFIPXVFZSA-N 0 0 459.011 4.982 20 30 JJEDRN COc1cc(Cl)c(C)cc1-n1c(SCc2nc(C#N)cs2)nc2ccccc2c1=O ZINC001458728266 1067120132 /nfs/dbraw/zinc/12/01/32/1067120132.db2.gz KQBBEZOFPNDFMU-UHFFFAOYSA-N 0 0 454.964 4.977 20 30 JJEDRN Cc1ccc(Sc2ccc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2[N+](=O)[O-])cc1 ZINC001458737147 1067127072 /nfs/dbraw/zinc/12/70/72/1067127072.db2.gz RHUSSMVDPMEZKH-UHFFFAOYSA-N 0 0 456.487 4.759 20 30 JJEDRN C#C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)c1ccc(Cl)cc1 ZINC001450853535 1067132376 /nfs/dbraw/zinc/13/23/76/1067132376.db2.gz WHRGAEZEOILJRO-QFIPXVFZSA-N 0 0 452.963 4.862 20 30 JJEDRN C=CCOc1ccc(COC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC001458770238 1067137211 /nfs/dbraw/zinc/13/72/11/1067137211.db2.gz VBBOXUSVWARZPY-UHFFFAOYSA-N 0 0 451.544 4.742 20 30 JJEDRN C=CCCC[C@@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1)c1ccccc1 ZINC001458770799 1067137288 /nfs/dbraw/zinc/13/72/88/1067137288.db2.gz VGTYJXUODMQELP-BJKOFHAPSA-N 0 0 452.620 4.510 20 30 JJEDRN C=CCCC[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1)c1ccccc1 ZINC001458770826 1067137695 /nfs/dbraw/zinc/13/76/95/1067137695.db2.gz VGTYJXUODMQELP-RPWUZVMVSA-N 0 0 452.620 4.510 20 30 JJEDRN N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2(Cc3cccc(Cl)c3)CC2)C1 ZINC001451088935 1067145972 /nfs/dbraw/zinc/14/59/72/1067145972.db2.gz OWYWXSGIQKYAHX-UHFFFAOYSA-N 0 0 458.787 4.549 20 30 JJEDRN O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001458813036 1067152531 /nfs/dbraw/zinc/15/25/31/1067152531.db2.gz DBAQCGIKQWZCAX-DGCLKSJQSA-N 0 0 457.321 4.801 20 30 JJEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nc2scc(-c3ccccc3)c2c1=O ZINC001458818829 1067154763 /nfs/dbraw/zinc/15/47/63/1067154763.db2.gz OAJQWBRIAVOVKA-ZDUSSCGKSA-N 0 0 454.602 4.887 20 30 JJEDRN C=CCn1c(COc2ccccc2F)nnc1S[C@H]1CCCN(c2ccccc2F)C1=O ZINC001458828494 1067160365 /nfs/dbraw/zinc/16/03/65/1067160365.db2.gz SHMRMZHZUZQIFM-FQEVSTJZSA-N 0 0 456.518 4.609 20 30 JJEDRN C=CCn1c(SC[C@@H]2CCC3(CCOCC3)O2)nnc1-c1ccc(Br)cc1 ZINC001458829745 1067161378 /nfs/dbraw/zinc/16/13/78/1067161378.db2.gz RIVNBUKHYIRGHN-KRWDZBQOSA-N 0 0 450.402 4.714 20 30 JJEDRN C=CCn1c(COc2ccccc2F)nnc1SC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001458829445 1067161452 /nfs/dbraw/zinc/16/14/52/1067161452.db2.gz XNFRNVFRTIJXLG-SJORKVTESA-N 0 0 462.591 4.777 20 30 JJEDRN CCC(CC)c1cc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)on1 ZINC001545821541 1067161686 /nfs/dbraw/zinc/16/16/86/1067161686.db2.gz GAVZJMYDJPRAGZ-UHFFFAOYSA-N 0 0 496.015 4.541 20 30 JJEDRN N#Cc1c(SCC(=O)NCCOc2ccc(Cl)cc2)nc2c(c1-c1ccco1)CCC2 ZINC001458844692 1067169784 /nfs/dbraw/zinc/16/97/84/1067169784.db2.gz MKLMPYOKUDZLSH-UHFFFAOYSA-N 0 0 453.951 4.643 20 30 JJEDRN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1 ZINC001458881928 1067185597 /nfs/dbraw/zinc/18/55/97/1067185597.db2.gz XJXMZNKJSCURAY-SFHVURJKSA-N 0 0 451.592 4.690 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1 ZINC001451741251 1067190988 /nfs/dbraw/zinc/19/09/88/1067190988.db2.gz UGRILWHGIGICRY-HXUWFJFHSA-N 0 0 459.587 4.652 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)Nc1nc2c(s1)CCC2(C)C ZINC001451803628 1067192644 /nfs/dbraw/zinc/19/26/44/1067192644.db2.gz HHCMGXYGHSQZKC-GOSISDBHSA-N 0 0 452.580 4.712 20 30 JJEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cn3c(=O)onc3-c3ccccc3)sc2C1 ZINC001458919010 1067197168 /nfs/dbraw/zinc/19/71/68/1067197168.db2.gz FLSPSNLROPECTB-INIZCTEOSA-N 0 0 450.564 4.616 20 30 JJEDRN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)c2C1 ZINC001545846251 1067198741 /nfs/dbraw/zinc/19/87/41/1067198741.db2.gz HUOSVWJJTQWELZ-KRWDZBQOSA-N 0 0 458.610 4.658 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451969258 1067201167 /nfs/dbraw/zinc/20/11/67/1067201167.db2.gz GFYKEFQCGAEGJP-FHLIZLRMSA-N 0 0 453.505 4.885 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451969295 1067201299 /nfs/dbraw/zinc/20/12/99/1067201299.db2.gz GFYKEFQCGAEGJP-OLMNPRSZSA-N 0 0 453.505 4.885 20 30 JJEDRN N#Cc1ccc(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)c(Br)c1 ZINC001458932935 1067201262 /nfs/dbraw/zinc/20/12/62/1067201262.db2.gz GMYMIFWCMCJLMN-UHFFFAOYSA-N 0 0 454.275 4.829 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CC23CC3)ccc1Cl ZINC001451975727 1067201827 /nfs/dbraw/zinc/20/18/27/1067201827.db2.gz FVRPNYCWWUDMFZ-IBGZPJMESA-N 0 0 451.375 4.657 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001451972369 1067201836 /nfs/dbraw/zinc/20/18/36/1067201836.db2.gz KTBCMDJUMQQJRK-YBOAYWMSSA-N 0 0 451.489 4.593 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001451972352 1067201867 /nfs/dbraw/zinc/20/18/67/1067201867.db2.gz KTBCMDJUMQQJRK-LDJQZATESA-N 0 0 451.489 4.593 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001452189622 1067213125 /nfs/dbraw/zinc/21/31/25/1067213125.db2.gz KQQDGNZHYYLHBI-KUHUBIRLSA-N 0 0 452.382 4.831 20 30 JJEDRN Cc1ccc(N(CCC#N)C(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1C ZINC001458974747 1067214179 /nfs/dbraw/zinc/21/41/79/1067214179.db2.gz BKRVKARFAGGWIQ-UHFFFAOYSA-N 0 0 456.575 4.530 20 30 JJEDRN C=CC1(CC(=O)NCc2ccc(COc3ccc(F)cc3)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001452270862 1067217284 /nfs/dbraw/zinc/21/72/84/1067217284.db2.gz SNRHSIGRIIVSIZ-UHFFFAOYSA-N 0 0 454.542 4.834 20 30 JJEDRN O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cccnc1OCC(F)(F)F ZINC001458983579 1067218737 /nfs/dbraw/zinc/21/87/37/1067218737.db2.gz WUBGTGAJHQCLLA-UHFFFAOYSA-N 0 0 451.216 4.955 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cc(Cl)ccc2OC)[nH]n1 ZINC001452337087 1067220396 /nfs/dbraw/zinc/22/03/96/1067220396.db2.gz LQCUDGDJEDNYOJ-HNNXBMFYSA-N 0 0 455.342 4.713 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@@H](c3cccnc3)C2)c1 ZINC001452384320 1067220864 /nfs/dbraw/zinc/22/08/64/1067220864.db2.gz MCFRRCFNHHAZGP-OAQYLSRUSA-N 0 0 456.571 4.704 20 30 JJEDRN COc1cc(C#N)ccc1OCCSc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC001458987822 1067221230 /nfs/dbraw/zinc/22/12/30/1067221230.db2.gz ZOJBBPUXNNMGEX-UHFFFAOYSA-N 0 0 450.495 4.777 20 30 JJEDRN C=CCN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001458993562 1067222948 /nfs/dbraw/zinc/22/29/48/1067222948.db2.gz DQXZKQMUDZLZKW-NRFANRHFSA-N 0 0 456.514 4.891 20 30 JJEDRN C=CCn1c(S[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)nnc1-c1cccs1 ZINC001458995379 1067223929 /nfs/dbraw/zinc/22/39/29/1067223929.db2.gz MPLWEKGXNCUQES-IBGZPJMESA-N 0 0 455.609 4.906 20 30 JJEDRN C=CCN(C(=O)c1c(C)c(C)sc1Br)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001458997233 1067224437 /nfs/dbraw/zinc/22/44/37/1067224437.db2.gz KOFBGSUDMKVKQK-KRWDZBQOSA-N 0 0 450.398 4.930 20 30 JJEDRN CCOc1ccc([C@@]2(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)CC2(Cl)Cl)cc1 ZINC001452492179 1067227707 /nfs/dbraw/zinc/22/77/07/1067227707.db2.gz VDMKNQFDFXPHGU-NZQKXSOJSA-N 0 0 458.389 4.510 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC001452494816 1067228159 /nfs/dbraw/zinc/22/81/59/1067228159.db2.gz FIKIACYWYLBFHV-HXUWFJFHSA-N 0 0 452.986 4.937 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC001452503242 1067230087 /nfs/dbraw/zinc/23/00/87/1067230087.db2.gz ZIHMTZRIEZHKQH-FQEVSTJZSA-N 0 0 450.995 4.979 20 30 JJEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)ccc21 ZINC001459045604 1067238209 /nfs/dbraw/zinc/23/82/09/1067238209.db2.gz IWZXOPGANKKGRG-UHFFFAOYSA-N 0 0 452.514 4.774 20 30 JJEDRN C#CC[C@]1(C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C ZINC001459081693 1067247873 /nfs/dbraw/zinc/24/78/73/1067247873.db2.gz MHMGYSHGOOROEG-HSZRJFAPSA-N 0 0 452.517 4.892 20 30 JJEDRN Cc1cc(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)c(C)n1-c1ccc(C#N)cc1 ZINC001452813646 1067254591 /nfs/dbraw/zinc/25/45/91/1067254591.db2.gz BSBPGJKWZUHKBP-NDEPHWFRSA-N 0 0 457.574 4.995 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@](F)(C#N)C2)O1 ZINC001546045032 1067257651 /nfs/dbraw/zinc/25/76/51/1067257651.db2.gz JXLQGDSDNYHIJC-OUYJLQGDSA-N 0 0 455.578 4.825 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@](F)(C#N)C2)O1 ZINC001546045033 1067258123 /nfs/dbraw/zinc/25/81/23/1067258123.db2.gz JXLQGDSDNYHIJC-QDPPLXMDSA-N 0 0 455.578 4.825 20 30 JJEDRN O=C(COc1cc(C(F)(F)F)ccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001459138361 1067258431 /nfs/dbraw/zinc/25/84/31/1067258431.db2.gz SOKFOQIWYYXJRO-UHFFFAOYSA-N 0 0 450.354 4.591 20 30 JJEDRN N#Cc1ccc(-c2ccc(Cl)s2)n(Cc2ccc(I)cc2)c1=O ZINC001459142124 1067259497 /nfs/dbraw/zinc/25/94/97/1067259497.db2.gz JTAVEDXJVFXOJF-UHFFFAOYSA-N 0 0 452.704 4.755 20 30 JJEDRN CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001452947673 1067266595 /nfs/dbraw/zinc/26/65/95/1067266595.db2.gz LUYALQCESBWTNF-QFIPXVFZSA-N 0 0 453.325 4.902 20 30 JJEDRN C=CCOc1ccc(CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C(C)(C)C)cc1 ZINC001459186990 1067268556 /nfs/dbraw/zinc/26/85/56/1067268556.db2.gz GANDQSBANHNTBU-UHFFFAOYSA-N 0 0 451.542 4.696 20 30 JJEDRN N#Cc1cccnc1OC1CCC(NC(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC001459211023 1067271987 /nfs/dbraw/zinc/27/19/87/1067271987.db2.gz KLLLBPPNPPHQFD-UHFFFAOYSA-N 0 0 452.711 4.628 20 30 JJEDRN C#C[C@H](NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H]1CCCO1 ZINC001459231116 1067274300 /nfs/dbraw/zinc/27/43/00/1067274300.db2.gz WUPMJRICEKTLLZ-AEDQLDONSA-N 0 0 457.636 4.693 20 30 JJEDRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(CCC#N)CCC(C)C)O1 ZINC001546047600 1067276644 /nfs/dbraw/zinc/27/66/44/1067276644.db2.gz AWZDQZYOXNHYNE-LVXARBLLSA-N 0 0 467.614 4.830 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CCOC)[C@@H]2CC[C@@H](C)C2)O1 ZINC001546048058 1067284720 /nfs/dbraw/zinc/28/47/20/1067284720.db2.gz HOKKRKFXVCXKPJ-VJUOEERUSA-N 0 0 451.615 4.806 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)O1 ZINC001546048120 1067285854 /nfs/dbraw/zinc/28/58/54/1067285854.db2.gz IJFUPJRZTZYIII-ZRCGQRJVSA-N 0 0 477.531 4.712 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)O1 ZINC001546048118 1067285898 /nfs/dbraw/zinc/28/58/98/1067285898.db2.gz IJFUPJRZTZYIII-SXWKCWPCSA-N 0 0 477.531 4.712 20 30 JJEDRN CC1(C)CC(/C=C\c2ccccn2)=Cc2c(C#N)c(NC(=O)CN3CCSCC3)sc21 ZINC001459313421 1067290887 /nfs/dbraw/zinc/29/08/87/1067290887.db2.gz NCGZXCNYBSCFEP-SREVYHEPSA-N 0 0 450.633 4.780 20 30 JJEDRN C=CCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)Cc1ccc(OC)cc1 ZINC001459347206 1067299693 /nfs/dbraw/zinc/29/96/93/1067299693.db2.gz YLWSKLRSDTZKBZ-QGZVFWFLSA-N 0 0 456.608 4.685 20 30 JJEDRN O=C(CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1ccc(Br)cc1F ZINC001459350439 1067301225 /nfs/dbraw/zinc/30/12/25/1067301225.db2.gz XROHCOAHTBFPHG-IUCAKERBSA-N 0 0 451.180 4.589 20 30 JJEDRN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001459350910 1067301328 /nfs/dbraw/zinc/30/13/28/1067301328.db2.gz ZQKNJWVVXNNMRO-VQVTYTSYSA-N 0 0 458.271 4.772 20 30 JJEDRN C=CCCCCNC(=O)[C@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC001459358474 1067302109 /nfs/dbraw/zinc/30/21/09/1067302109.db2.gz NTNVLKRHXOVLKU-LBPRGKRZSA-N 0 0 458.727 4.733 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001459367357 1067304732 /nfs/dbraw/zinc/30/47/32/1067304732.db2.gz JSHOSQYVTQJMIH-IBGZPJMESA-N 0 0 455.249 4.979 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001459367358 1067304769 /nfs/dbraw/zinc/30/47/69/1067304769.db2.gz JSHOSQYVTQJMIH-LJQANCHMSA-N 0 0 455.249 4.979 20 30 JJEDRN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001453534887 1067311793 /nfs/dbraw/zinc/31/17/93/1067311793.db2.gz APJIVFJCRDUSKH-ZACQAIPSSA-N 0 0 451.530 4.509 20 30 JJEDRN Cc1nsc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)c1C#N ZINC001459422333 1067321120 /nfs/dbraw/zinc/32/11/20/1067321120.db2.gz CBRVYBVLTMIVJL-UHFFFAOYSA-N 0 0 457.298 4.683 20 30 JJEDRN CC(=O)N1CCCCC[C@H]1C1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC001459450946 1067326345 /nfs/dbraw/zinc/32/63/45/1067326345.db2.gz SZRIXDSIWKFHPV-XXBNENTESA-N 0 0 456.656 4.522 20 30 JJEDRN C=CCN(C(=O)CN1CCCC[C@@H]1[C@@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455074 1067327521 /nfs/dbraw/zinc/32/75/21/1067327521.db2.gz QXHFOWQVSCISDP-AUUYWEPGSA-N 0 0 454.423 4.871 20 30 JJEDRN O=C(c1ccn(CCC(F)(F)F)n1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001459553832 1067349813 /nfs/dbraw/zinc/34/98/13/1067349813.db2.gz GLDRBAHHWWJYCX-UHFFFAOYSA-N 0 0 453.358 4.835 20 30 JJEDRN CCOC(=O)c1cc2ccccc2cc1NC(=O)COc1cccc(Br)c1C#N ZINC001459612848 1067364058 /nfs/dbraw/zinc/36/40/58/1067364058.db2.gz HIAHISCRTYFGMX-UHFFFAOYSA-N 0 0 453.292 4.668 20 30 JJEDRN Cc1cc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)nn1-c1cccc(C#N)c1 ZINC001459620003 1067366078 /nfs/dbraw/zinc/36/60/78/1067366078.db2.gz NCMXQOFDLTYZQS-NRFANRHFSA-N 0 0 453.315 4.931 20 30 JJEDRN C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001459631234 1067368703 /nfs/dbraw/zinc/36/87/03/1067368703.db2.gz CCYRKTSMXCKRAJ-LJQANCHMSA-N 0 0 457.961 4.895 20 30 JJEDRN C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001459631232 1067368948 /nfs/dbraw/zinc/36/89/48/1067368948.db2.gz CCYRKTSMXCKRAJ-IBGZPJMESA-N 0 0 457.961 4.895 20 30 JJEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001459636720 1067369816 /nfs/dbraw/zinc/36/98/16/1067369816.db2.gz WLAXPDMGGDDIBL-ZUOKHONESA-N 0 0 453.892 4.744 20 30 JJEDRN CCc1nc2c(s1)[C@H](N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CCC2 ZINC001459693141 1067385891 /nfs/dbraw/zinc/38/58/91/1067385891.db2.gz FIXAHMVGXXMFPJ-HXUWFJFHSA-N 0 0 451.596 4.585 20 30 JJEDRN Cc1cc(F)ccc1N(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc(C#N)cc1 ZINC001459705501 1067388833 /nfs/dbraw/zinc/38/88/33/1067388833.db2.gz CTRUSLIMWSLAJD-UHFFFAOYSA-N 0 0 456.521 4.543 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N(CCC(F)(F)F)CC(F)(F)F)nnc1-c1ccco1 ZINC001459774658 1067416699 /nfs/dbraw/zinc/41/66/99/1067416699.db2.gz VVQBXDOEOAESHK-UHFFFAOYSA-N 0 0 456.412 4.550 20 30 JJEDRN N#Cc1ccc(OC2CCN(C(=O)[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)CC2)cc1 ZINC001459785202 1067421566 /nfs/dbraw/zinc/42/15/66/1067421566.db2.gz LESMOVZDZKKWFN-DEOSSOPVSA-N 0 0 458.480 4.596 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)c1 ZINC001459798187 1067428165 /nfs/dbraw/zinc/42/81/65/1067428165.db2.gz MNEQTHYQZBEYLU-UHFFFAOYSA-N 0 0 451.452 4.730 20 30 JJEDRN COC[C@@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1cccc(C(F)(F)F)c1 ZINC001459836662 1067446879 /nfs/dbraw/zinc/44/68/79/1067446879.db2.gz QCODPWSFRZGWLI-HXUWFJFHSA-N 0 0 453.892 4.891 20 30 JJEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC001459893745 1067476684 /nfs/dbraw/zinc/47/66/84/1067476684.db2.gz AGXVOSLXIWCRPF-OAQYLSRUSA-N 0 0 455.331 4.626 20 30 JJEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCOc2ccc(F)c(Cl)c2)CC1 ZINC001459896245 1067478316 /nfs/dbraw/zinc/47/83/16/1067478316.db2.gz MLWOFUHOBPEMSD-FQEVSTJZSA-N 0 0 452.755 4.503 20 30 JJEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@@H](COCC(C)C)c2ccco2)c1C#N ZINC001459924136 1067493883 /nfs/dbraw/zinc/49/38/83/1067493883.db2.gz JCMUQJPSEHTXOV-QFIPXVFZSA-N 0 0 452.530 4.640 20 30 JJEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccc(Br)c(F)c1 ZINC001459938632 1067499596 /nfs/dbraw/zinc/49/95/96/1067499596.db2.gz DCEQYXSVBPZQJM-CQSZACIVSA-N 0 0 450.377 4.910 20 30 JJEDRN N#Cc1ccc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)c(Br)c1 ZINC001459957936 1067507173 /nfs/dbraw/zinc/50/71/73/1067507173.db2.gz CVWWSDZWAHFMBD-SFHVURJKSA-N 0 0 454.137 4.796 20 30 JJEDRN N#Cc1cccc(S(=O)(=O)CCN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001459961030 1067508393 /nfs/dbraw/zinc/50/83/93/1067508393.db2.gz RIMNRNWMMJTZBX-QGZVFWFLSA-N 0 0 450.404 4.634 20 30 JJEDRN N#Cc1cc(Br)ccc1CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001459987638 1067516263 /nfs/dbraw/zinc/51/62/63/1067516263.db2.gz DCIXLZMMWXVCCT-UHFFFAOYSA-N 0 0 455.274 4.703 20 30 JJEDRN COCc1nc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)sc1C(=O)OC ZINC001459988912 1067516764 /nfs/dbraw/zinc/51/67/64/1067516764.db2.gz CQSLABQIGUNESF-UHFFFAOYSA-N 0 0 457.895 4.646 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001459999801 1067521422 /nfs/dbraw/zinc/52/14/22/1067521422.db2.gz VZZZLKSZPLXBOV-QZTJIDSGSA-N 0 0 455.477 4.740 20 30 JJEDRN CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)N2CC(C)(C#N)C2)sc2c1CC[C@H](C)C2 ZINC001460044981 1067537946 /nfs/dbraw/zinc/53/79/46/1067537946.db2.gz YXQLGUYROJDHCN-KKSFZXQISA-N 0 0 451.592 4.575 20 30 JJEDRN N#Cc1ccc(OC2CCN(CC(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)c(F)c1 ZINC001460075101 1067547323 /nfs/dbraw/zinc/54/73/23/1067547323.db2.gz UZCWGTYTFHUQJT-UHFFFAOYSA-N 0 0 450.558 4.560 20 30 JJEDRN C=CCNS(=O)(=O)c1cc(C(=O)N(CC(C)C)c2ccc(C(F)(F)F)cc2)ccc1F ZINC001460123613 1067559740 /nfs/dbraw/zinc/55/97/40/1067559740.db2.gz PNUXEOPKXFKCMH-UHFFFAOYSA-N 0 0 458.477 4.612 20 30 JJEDRN CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CCS1 ZINC001546114637 1067579251 /nfs/dbraw/zinc/57/92/51/1067579251.db2.gz ALBLUINVTPHISS-UHFFFAOYSA-N 0 0 480.682 4.721 20 30 JJEDRN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)c(C(=O)OCC)s1 ZINC001460208728 1067579800 /nfs/dbraw/zinc/57/98/00/1067579800.db2.gz DWAROFRZLAJEPH-HOCLYGCPSA-N 0 0 465.369 4.669 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H]1c1ccccc1F ZINC001460241475 1067589174 /nfs/dbraw/zinc/58/91/74/1067589174.db2.gz PUAKZYGPQPULPU-GHTZIAJQSA-N 0 0 474.374 4.953 20 30 JJEDRN COc1ccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1Cl ZINC001460259896 1067592926 /nfs/dbraw/zinc/59/29/26/1067592926.db2.gz ROKVZDMUEKNHMO-UHFFFAOYSA-N 0 0 450.970 4.757 20 30 JJEDRN C=CCc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c(OC)c1 ZINC001460309315 1067604566 /nfs/dbraw/zinc/60/45/66/1067604566.db2.gz XAXCZQJMWSSJFR-UHFFFAOYSA-N 0 0 456.542 4.573 20 30 JJEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1I ZINC001460308683 1067604703 /nfs/dbraw/zinc/60/47/03/1067604703.db2.gz SQNSGJOSOYUAQK-QGZVFWFLSA-N 0 0 454.695 4.858 20 30 JJEDRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001460332585 1067609850 /nfs/dbraw/zinc/60/98/50/1067609850.db2.gz AZDPIWCAWJRPSQ-QFIPXVFZSA-N 0 0 455.986 4.922 20 30 JJEDRN C[C@H]1Cc2c(C#N)c(NC(=O)c3cn(-c4ccccc4Br)nn3)sc2[C@H](C)C1 ZINC001460377343 1067621676 /nfs/dbraw/zinc/62/16/76/1067621676.db2.gz IVKHQEIMBJFBSI-VXGBXAGGSA-N 0 0 456.369 4.901 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2occc2C)c1 ZINC001460381451 1067622878 /nfs/dbraw/zinc/62/28/78/1067622878.db2.gz NYKLXLCXUWIINA-UHFFFAOYSA-N 0 0 458.967 4.895 20 30 JJEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2sc(Br)cc2C1 ZINC001460437946 1067634828 /nfs/dbraw/zinc/63/48/28/1067634828.db2.gz BUIHXHQIPQTCNV-CYBMUJFWSA-N 0 0 450.427 4.902 20 30 JJEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c1C#N ZINC001460448443 1067636585 /nfs/dbraw/zinc/63/65/85/1067636585.db2.gz AXNSGCKJFYPLDD-UTKZUKDTSA-N 0 0 471.646 4.655 20 30 JJEDRN CCc1ccc([C@H](C#N)NC(=O)c2c(C)nn(Cc3cccc(Br)c3)c2C)cc1 ZINC001460631313 1067679015 /nfs/dbraw/zinc/67/90/15/1067679015.db2.gz BJWRQJJHZHRHOE-NRFANRHFSA-N 0 0 451.368 4.868 20 30 JJEDRN CCc1ccc([C@H](C#N)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)cc1 ZINC001460652008 1067687944 /nfs/dbraw/zinc/68/79/44/1067687944.db2.gz VVXCWWPRDUXPKJ-UXHICEINSA-N 0 0 456.974 4.943 20 30 JJEDRN CC(C)(CCC#N)CNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC001460654047 1067688324 /nfs/dbraw/zinc/68/83/24/1067688324.db2.gz SRIIUCGPKBOJFL-UHFFFAOYSA-N 0 0 459.999 4.541 20 30 JJEDRN N#Cc1cccc([C@@H](NCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C(F)(F)F)c1 ZINC001460674055 1067696005 /nfs/dbraw/zinc/69/60/05/1067696005.db2.gz IJNIMYHJOYYIOT-GOSISDBHSA-N 0 0 452.408 4.792 20 30 JJEDRN Cc1c(I)cc(Br)cc1C(=O)Nc1ccc(C#N)c(F)c1 ZINC001460678292 1067698126 /nfs/dbraw/zinc/69/81/26/1067698126.db2.gz ZZLAWHRFLHOFNN-UHFFFAOYSA-N 0 0 459.056 4.625 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cc3ccccc3n2CC#N)C1 ZINC001460766560 1067719767 /nfs/dbraw/zinc/71/97/67/1067719767.db2.gz QKARDPMZEDOXND-IFMALSPDSA-N 0 0 450.583 4.807 20 30 JJEDRN C#C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)cc1F ZINC001460785274 1067723359 /nfs/dbraw/zinc/72/33/59/1067723359.db2.gz DXLDPLBIWFLGED-QQMNAOGKSA-N 0 0 456.945 4.752 20 30 JJEDRN C#C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001460794990 1067724988 /nfs/dbraw/zinc/72/49/88/1067724988.db2.gz VDJXLRUGSWUUKQ-UNMCSNQZSA-N 0 0 451.954 4.748 20 30 JJEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCC(C(=O)OC(C)C)CC3)sc2C1 ZINC001460802753 1067727066 /nfs/dbraw/zinc/72/70/66/1067727066.db2.gz GENHBCKQNNYOBX-GOSISDBHSA-N 0 0 459.656 4.763 20 30 JJEDRN CC(C)(C)OC(=O)c1c(NC(=O)CCCCOc2cccc(C#N)c2)sc2c1CCOC2 ZINC001460833465 1067731552 /nfs/dbraw/zinc/73/15/52/1067731552.db2.gz WHZNKRBTNJOXOZ-UHFFFAOYSA-N 0 0 456.564 4.836 20 30 JJEDRN O=C(CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)Nc1cccc2ccccc21 ZINC001460877961 1067740992 /nfs/dbraw/zinc/74/09/92/1067740992.db2.gz QOLQBXGQUGBXJW-ZIAGYGMSSA-N 0 0 452.345 4.881 20 30 JJEDRN FC1(F)[C@H]2CN(Cc3ccn(CCc4ccccc4)n3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC001460880456 1067741284 /nfs/dbraw/zinc/74/12/84/1067741284.db2.gz ZXUYXZKWQZQFHW-HOTGVXAUSA-N 0 0 453.377 4.729 20 30 JJEDRN O=C(CSc1ccc(C(F)(F)F)cn1)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460914293 1067747298 /nfs/dbraw/zinc/74/72/98/1067747298.db2.gz KQFXHFMOWSQZKZ-AWEZNQCLSA-N 0 0 457.327 4.660 20 30 JJEDRN N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2I)nc1 ZINC001460991983 1067758867 /nfs/dbraw/zinc/75/88/67/1067758867.db2.gz CXKSMDUAQKFGNZ-UHFFFAOYSA-N 0 0 457.246 4.544 20 30 JJEDRN COc1cc(C(=O)Nc2ccc(Br)c(C#N)c2C)ccc1OCc1cscn1 ZINC001461057199 1067771841 /nfs/dbraw/zinc/77/18/41/1067771841.db2.gz MMZOHSNMUSZNHK-UHFFFAOYSA-N 0 0 458.337 4.926 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1nn(C(C)(C)C)cc1Br ZINC001461064754 1067774367 /nfs/dbraw/zinc/77/43/67/1067774367.db2.gz IAIDMDKQTUZNDL-GFCCVEGCSA-N 0 0 457.294 4.974 20 30 JJEDRN CC(C)Cn1c(SCC(=O)N[C@@H]2CC[C@H](C#N)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001461069699 1067775768 /nfs/dbraw/zinc/77/57/68/1067775768.db2.gz FAMBEIHZQACGEJ-DZGCQCFKSA-N 0 0 452.411 4.808 20 30 JJEDRN CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H](OC)C(F)(F)F)CCS1 ZINC001546121396 1067776330 /nfs/dbraw/zinc/77/63/30/1067776330.db2.gz WGKXNSSSAJGGRR-IBGZPJMESA-N 0 0 497.587 4.808 20 30 JJEDRN C=CCOc1c(Br)cc(CNc2ccc(OCc3nccn3C)cc2)cc1OC ZINC001461074380 1067776444 /nfs/dbraw/zinc/77/64/44/1067776444.db2.gz ZFEFNPYQQFIYTC-UHFFFAOYSA-N 0 0 458.356 4.947 20 30 JJEDRN Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@H](c3c[nH]c4cccc(F)c43)C(F)(F)F)cnc21 ZINC001461111262 1067784163 /nfs/dbraw/zinc/78/41/63/1067784163.db2.gz FPRQQFFXOTWJCO-CQSZACIVSA-N 0 0 459.325 4.641 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC001461173062 1067792794 /nfs/dbraw/zinc/79/27/94/1067792794.db2.gz YKWFCPFJSWHFIG-UHFFFAOYSA-N 0 0 454.958 4.649 20 30 JJEDRN N#Cc1ccc(C2(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)CCC2)cc1 ZINC001461189038 1067796059 /nfs/dbraw/zinc/79/60/59/1067796059.db2.gz NAKZRQQQMDRILX-GOSISDBHSA-N 0 0 456.373 4.913 20 30 JJEDRN CC1(C)Cc2nc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)sc2C(=O)N1 ZINC001461246319 1067808722 /nfs/dbraw/zinc/80/87/22/1067808722.db2.gz JTSLAHUJCRPOSJ-UHFFFAOYSA-N 0 0 452.923 4.777 20 30 JJEDRN Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001461314694 1067826395 /nfs/dbraw/zinc/82/63/95/1067826395.db2.gz HZEYNZZSGAGBEG-UHFFFAOYSA-N 0 0 453.252 4.977 20 30 JJEDRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001461339892 1067833380 /nfs/dbraw/zinc/83/33/80/1067833380.db2.gz GQEWLHCFYBRTPN-WOJBJXKFSA-N 0 0 459.587 4.517 20 30 JJEDRN CC(C)Cn1c(SCC(=O)N([C@H](C)C#N)C2CC2)nnc1-c1ccc(Cl)cc1Cl ZINC001461407762 1067848233 /nfs/dbraw/zinc/84/82/33/1067848233.db2.gz GOHDJGVLNWMURL-CYBMUJFWSA-N 0 0 452.411 4.903 20 30 JJEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3nnc(-c4cc(Cl)cc(Cl)c4)s3)cc2C1=O ZINC001461491428 1067874441 /nfs/dbraw/zinc/87/44/41/1067874441.db2.gz GVINTJKFAWKKJC-UHFFFAOYSA-N 0 0 459.314 4.546 20 30 JJEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NCc2ccc(Br)c(Cl)c2)c1 ZINC001461553004 1067886649 /nfs/dbraw/zinc/88/66/49/1067886649.db2.gz MGHGBUVAHXZBCM-PYCFMQQDSA-N 0 0 456.793 4.527 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N[C@@H](C#N)c2ccccc2Br)C1 ZINC001461742306 1067929194 /nfs/dbraw/zinc/92/91/94/1067929194.db2.gz JLANILRXPCYIDX-QAPCUYQASA-N 0 0 450.377 4.557 20 30 JJEDRN N#Cc1cc(F)c(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)c(Br)c1 ZINC001461778142 1067935594 /nfs/dbraw/zinc/93/55/94/1067935594.db2.gz VBUNQKLBHZUAJT-HNNXBMFYSA-N 0 0 453.267 4.572 20 30 JJEDRN C=CC(C)(C)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001461783354 1067936509 /nfs/dbraw/zinc/93/65/09/1067936509.db2.gz DHQZGWLKMUHCLC-UKILVPOCSA-N 0 0 450.579 4.907 20 30 JJEDRN CN(C)C(=O)c1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1 ZINC001461887539 1067955061 /nfs/dbraw/zinc/95/50/61/1067955061.db2.gz CSOSRYAHERPPPI-UHFFFAOYSA-N 0 0 452.326 4.583 20 30 JJEDRN N#CCc1cccc2c1CCN(C(=O)CC1(CNC(=O)OCc3ccccc3)CCCCC1)C2 ZINC001461960270 1067969311 /nfs/dbraw/zinc/96/93/11/1067969311.db2.gz CAQVSKMSLRXVEV-UHFFFAOYSA-N 0 0 459.590 4.904 20 30 JJEDRN N#CCc1cccc2c1CCN(C(=O)c1ccc(COc3cccc(Br)c3)o1)C2 ZINC001461968368 1067970987 /nfs/dbraw/zinc/97/09/87/1067970987.db2.gz SJILENJLHUMFNT-UHFFFAOYSA-N 0 0 451.320 4.886 20 30 JJEDRN Cc1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001462012520 1067980272 /nfs/dbraw/zinc/98/02/72/1067980272.db2.gz PPOCUMQBYMELOB-UHFFFAOYSA-N 0 0 454.361 4.758 20 30 JJEDRN O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001462029645 1067984568 /nfs/dbraw/zinc/98/45/68/1067984568.db2.gz PLJGIPXGVIUJFJ-UHFFFAOYSA-N 0 0 458.337 4.643 20 30 JJEDRN F[C@@H]1CC2(CC[C@@H]1N1CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1)OCCO2 ZINC001462137730 1068013214 /nfs/dbraw/zinc/01/32/14/1068013214.db2.gz NNNHHBKPXFAWRL-IKGGRYGDSA-N 0 0 457.386 4.731 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(C#N)c2Br)cc1 ZINC001462144730 1068014630 /nfs/dbraw/zinc/01/46/30/1068014630.db2.gz HNTQQGXLWLBGQS-ZWKOTPCHSA-N 0 0 456.340 4.954 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21)C(=O)OCC ZINC001462159331 1068018841 /nfs/dbraw/zinc/01/88/41/1068018841.db2.gz XDDJGRVOAJWVFD-SFHVURJKSA-N 0 0 457.889 4.710 20 30 JJEDRN C=C(C)C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)C(=O)OC ZINC001462160344 1068019022 /nfs/dbraw/zinc/01/90/22/1068019022.db2.gz BTALCAJGDKGACQ-QGZVFWFLSA-N 0 0 450.366 4.686 20 30 JJEDRN CC(C)(C)OC(=O)NCc1ccc(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC001462180353 1068023534 /nfs/dbraw/zinc/02/35/34/1068023534.db2.gz WVBVRVNPFKCSOK-QHCPKHFHSA-N 0 0 455.002 4.747 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)ccc1Cl ZINC001462219955 1068031149 /nfs/dbraw/zinc/03/11/49/1068031149.db2.gz HRZJDLYUOXJBKK-BGYRXZFFSA-N 0 0 456.995 4.760 20 30 JJEDRN C#CCN(CC(=O)OC(C)(C)C)Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001462412144 1068069281 /nfs/dbraw/zinc/06/92/81/1068069281.db2.gz SBWTWNLQCSMDLM-UHFFFAOYSA-N 0 0 451.567 4.873 20 30 JJEDRN COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(CC#N)n3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001462420124 1068070997 /nfs/dbraw/zinc/07/09/97/1068070997.db2.gz CKFONCFIGGOICH-OZXSUGGESA-N 0 0 454.530 4.588 20 30 JJEDRN N#Cc1ccccc1Oc1ccccc1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001462491232 1068084313 /nfs/dbraw/zinc/08/43/13/1068084313.db2.gz AGERVRIKYSZEGO-UHFFFAOYSA-N 0 0 452.264 4.951 20 30 JJEDRN O=C(NC[C@@H]1CCC2(CCOCC2)CO1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001462529491 1068092160 /nfs/dbraw/zinc/09/21/60/1068092160.db2.gz FFROCKUGZXHQJU-HNNXBMFYSA-N 0 0 457.386 4.682 20 30 JJEDRN N#CCCn1cc(CN2CCc3cc(Cl)cc(Br)c3C2)c(-c2ccncc2)n1 ZINC001462604943 1068110204 /nfs/dbraw/zinc/11/02/04/1068110204.db2.gz STCVWUYHQVEAMV-UHFFFAOYSA-N 0 0 456.775 4.833 20 30 JJEDRN Cc1c(NC(=O)Cc2ccccc2CC#N)cc(I)cc1C(F)(F)F ZINC001462702384 1068135701 /nfs/dbraw/zinc/13/57/01/1068135701.db2.gz NRLGMOPGXOEEBM-UHFFFAOYSA-N 0 0 458.221 4.866 20 30 JJEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1C ZINC001462725064 1068144066 /nfs/dbraw/zinc/14/40/66/1068144066.db2.gz RTHNOUZKAXPRHO-UHFFFAOYSA-N 0 0 450.624 4.510 20 30 JJEDRN CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001546133959 1068150163 /nfs/dbraw/zinc/15/01/63/1068150163.db2.gz GPQKZMXBWXCVNZ-UHFFFAOYSA-N 0 0 450.587 4.500 20 30 JJEDRN C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC001462750276 1068155181 /nfs/dbraw/zinc/15/51/81/1068155181.db2.gz NQMXMFUUVANOJA-IFXJQAMLSA-N 0 0 458.356 4.764 20 30 JJEDRN C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC001462750279 1068155199 /nfs/dbraw/zinc/15/51/99/1068155199.db2.gz NQMXMFUUVANOJA-LIRRHRJNSA-N 0 0 458.356 4.764 20 30 JJEDRN C[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC001462752129 1068155758 /nfs/dbraw/zinc/15/57/58/1068155758.db2.gz IJGBYDKMMOUMAV-INIZCTEOSA-N 0 0 455.377 4.820 20 30 JJEDRN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC001462793290 1068168902 /nfs/dbraw/zinc/16/89/02/1068168902.db2.gz JXGGRMSYPKNMNO-SFHVURJKSA-N 0 0 451.342 4.589 20 30 JJEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC001462802173 1068171112 /nfs/dbraw/zinc/17/11/12/1068171112.db2.gz ALPYSINCJYZVBZ-UHFFFAOYSA-N 0 0 450.360 4.617 20 30 JJEDRN CN1C(=O)C[C@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC001462827003 1068179490 /nfs/dbraw/zinc/17/94/90/1068179490.db2.gz WGNVSBDFTWVSKE-XUZZJYLKSA-N 0 0 481.886 4.984 20 30 JJEDRN COc1cc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)ccc1OCc1ccccc1 ZINC001462871763 1068198392 /nfs/dbraw/zinc/19/83/92/1068198392.db2.gz OLCMCQLUIPEQCH-INIZCTEOSA-N 0 0 456.951 4.839 20 30 JJEDRN N#Cc1ccc(OS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)c([N+](=O)[O-])c1 ZINC001462895626 1068206642 /nfs/dbraw/zinc/20/66/42/1068206642.db2.gz DJIYJQQNELXJLI-UHFFFAOYSA-N 0 0 459.277 4.664 20 30 JJEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC001462912792 1068212710 /nfs/dbraw/zinc/21/27/10/1068212710.db2.gz OYEKSZLAGDOVKG-QFIPXVFZSA-N 0 0 453.361 4.657 20 30 JJEDRN N#Cc1c(Br)cccc1S(=O)(=O)N(CCc1ccccc1F)C1CCCC1 ZINC001462947720 1068225143 /nfs/dbraw/zinc/22/51/43/1068225143.db2.gz SSAQLJRQHKBLGZ-UHFFFAOYSA-N 0 0 451.361 4.636 20 30 JJEDRN C=CCn1cc2ccc(NC(=O)C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)cc2n1 ZINC001462995017 1068243279 /nfs/dbraw/zinc/24/32/79/1068243279.db2.gz MIWWHDWNFXLMJN-UHFFFAOYSA-N 0 0 452.477 4.740 20 30 JJEDRN Cc1cccc(-c2cccc(CNS(=O)(=O)c3cc(Br)c(C#N)cc3F)c2)c1 ZINC001463000449 1068245133 /nfs/dbraw/zinc/24/51/33/1068245133.db2.gz LSNDPZVTFCFBGQ-UHFFFAOYSA-N 0 0 459.340 4.914 20 30 JJEDRN CCC(CC)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC001463025021 1068255760 /nfs/dbraw/zinc/25/57/60/1068255760.db2.gz SSRJHIZPVNNQOC-UHFFFAOYSA-N 0 0 456.351 4.810 20 30 JJEDRN Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1S(=O)(=O)N(C)C ZINC001463034321 1068258310 /nfs/dbraw/zinc/25/83/10/1068258310.db2.gz CHKMOTBQSZSCJK-UHFFFAOYSA-N 0 0 451.573 4.521 20 30 JJEDRN CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1cccc(C#N)c1Cl ZINC001463053652 1068267325 /nfs/dbraw/zinc/26/73/25/1068267325.db2.gz KSYNBGVHTIHOFH-CQSZACIVSA-N 0 0 457.802 4.832 20 30 JJEDRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NS(=O)(=O)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001463076206 1068279047 /nfs/dbraw/zinc/27/90/47/1068279047.db2.gz RJQVUBFGWUKRAR-RPBOFIJWSA-N 0 0 456.608 4.774 20 30 JJEDRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463088103 1068282955 /nfs/dbraw/zinc/28/29/55/1068282955.db2.gz OZSQJQUCWVXGEI-UHFFFAOYSA-N 0 0 452.517 4.846 20 30 JJEDRN COC(=O)c1c(Cl)cccc1S(=O)(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001463109877 1068289966 /nfs/dbraw/zinc/28/99/66/1068289966.db2.gz KLWORANFORKVFG-AWEZNQCLSA-N 0 0 457.253 4.659 20 30 JJEDRN COc1ccc2c(CC(=O)N3C[C@H]4[C@@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)coc2c1 ZINC001463151608 1068304801 /nfs/dbraw/zinc/30/48/01/1068304801.db2.gz YBWHCNWQHJAJCH-BETUJISGSA-N 0 0 457.317 4.613 20 30 JJEDRN O=C(c1cscc1Br)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463154889 1068305835 /nfs/dbraw/zinc/30/58/35/1068305835.db2.gz MHSMNLDELAPPJC-BQBZGAKWSA-N 0 0 458.168 4.754 20 30 JJEDRN C#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)c(Cl)c1 ZINC001463160532 1068307130 /nfs/dbraw/zinc/30/71/30/1068307130.db2.gz LIEJPFVYDPJVFJ-MRXNPFEDSA-N 0 0 459.771 4.883 20 30 JJEDRN CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC001463207199 1068320064 /nfs/dbraw/zinc/32/00/64/1068320064.db2.gz DWTQNWXPYBZICD-UHFFFAOYSA-N 0 0 453.995 4.535 20 30 JJEDRN N#Cc1cc(F)ccc1S(=O)(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001463224338 1068326349 /nfs/dbraw/zinc/32/63/49/1068326349.db2.gz PHTMYIGKELGLFJ-UHFFFAOYSA-N 0 0 451.361 4.640 20 30 JJEDRN COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC001463288831 1068345842 /nfs/dbraw/zinc/34/58/42/1068345842.db2.gz VNEWUAGSBGKUMD-UHFFFAOYSA-N 0 0 458.289 4.996 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)N[C@@H](c2ccccc2F)C2CCCC2)cc1Br ZINC001463290317 1068346506 /nfs/dbraw/zinc/34/65/06/1068346506.db2.gz YYPGURUNBYTDKQ-LJQANCHMSA-N 0 0 455.324 4.809 20 30 JJEDRN Cc1sc(CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)nc1-c1ccccc1 ZINC001463298361 1068349040 /nfs/dbraw/zinc/34/90/40/1068349040.db2.gz GPTSPOURCKWMMA-UHFFFAOYSA-N 0 0 451.495 4.530 20 30 JJEDRN O=S(=O)(CCC(F)(F)F)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC001463412331 1068389236 /nfs/dbraw/zinc/38/92/36/1068389236.db2.gz NHEITJYQKDNZGT-MRXNPFEDSA-N 0 0 459.383 4.836 20 30 JJEDRN Cc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1I ZINC001463494417 1068418509 /nfs/dbraw/zinc/41/85/09/1068418509.db2.gz RIKYOTNHBXTWOD-UHFFFAOYSA-N 0 0 458.255 4.896 20 30 JJEDRN CCCCOc1ccc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)cc1Cl ZINC001463531480 1068429373 /nfs/dbraw/zinc/42/93/73/1068429373.db2.gz VUWBBBVWQSEYAX-UHFFFAOYSA-N 0 0 457.777 4.632 20 30 JJEDRN C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001463563436 1068444862 /nfs/dbraw/zinc/44/48/62/1068444862.db2.gz UNPBOTPQAGVHQK-UHFFFAOYSA-N 0 0 454.523 4.777 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC001463572010 1068451074 /nfs/dbraw/zinc/45/10/74/1068451074.db2.gz XOXUSSAYFMEXNI-OAQYLSRUSA-N 0 0 459.543 4.541 20 30 JJEDRN O=S(=O)(c1cccc(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001463579319 1068453724 /nfs/dbraw/zinc/45/37/24/1068453724.db2.gz RDNDGUCADRUJJI-INIZCTEOSA-N 0 0 457.367 4.626 20 30 JJEDRN Cc1ccc(Br)c(S(=O)(=O)O[C@@H](COCc2ccccc2)C(F)(F)F)c1 ZINC001463609342 1068464701 /nfs/dbraw/zinc/46/47/01/1068464701.db2.gz IANGDRFKFLTOBV-INIZCTEOSA-N 0 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Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001463798294 1068528627 /nfs/dbraw/zinc/52/86/27/1068528627.db2.gz UUJVGDLGSKYUGD-LJQANCHMSA-N 0 0 455.345 4.980 20 30 JJEDRN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463810408 1068532766 /nfs/dbraw/zinc/53/27/66/1068532766.db2.gz WNKWAQYPCBTUNN-UHFFFAOYSA-N 0 0 452.345 4.960 20 30 JJEDRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC001463871063 1068551900 /nfs/dbraw/zinc/55/19/00/1068551900.db2.gz GKRJCOZUHXRXFQ-UHFFFAOYSA-N 0 0 458.415 4.642 20 30 JJEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)CC1 ZINC001463875936 1068553502 /nfs/dbraw/zinc/55/35/02/1068553502.db2.gz ZVKAIPIDSQKYJN-UHFFFAOYSA-N 0 0 451.448 4.517 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)c2)c1 ZINC001463899111 1068559509 /nfs/dbraw/zinc/55/95/09/1068559509.db2.gz UYLRPGJAVHKYQR-UHFFFAOYSA-N 0 0 451.522 4.963 20 30 JJEDRN C[C@@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001463898339 1068559533 /nfs/dbraw/zinc/55/95/33/1068559533.db2.gz QPQUGYIHXHQYHL-KRWDZBQOSA-N 0 0 452.517 4.846 20 30 JJEDRN C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1O ZINC001463918567 1068565475 /nfs/dbraw/zinc/56/54/75/1068565475.db2.gz YVTAOVLFAHPQRS-UHFFFAOYSA-N 0 0 452.532 4.552 20 30 JJEDRN N#CC1(CS(=O)(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)CCCCC1 ZINC001463978203 1068580327 /nfs/dbraw/zinc/58/03/27/1068580327.db2.gz UEWSBAUCDQXGES-UHFFFAOYSA-N 0 0 450.819 4.573 20 30 JJEDRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC001464032475 1068594642 /nfs/dbraw/zinc/59/46/42/1068594642.db2.gz FVZNEURTTNFJFB-IBGZPJMESA-N 0 0 458.889 4.896 20 30 JJEDRN C=CC1(CC(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001464089988 1068611654 /nfs/dbraw/zinc/61/16/54/1068611654.db2.gz CQTDTTWYYDBZJS-WDNDVIMCSA-N 0 0 458.443 4.825 20 30 JJEDRN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001464111427 1068618710 /nfs/dbraw/zinc/61/87/10/1068618710.db2.gz NJMGCSPBUGLDMD-QFIPXVFZSA-N 0 0 455.580 4.629 20 30 JJEDRN Cc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1S(=O)(=O)Nc1ccccc1 ZINC001464188426 1068648386 /nfs/dbraw/zinc/64/83/86/1068648386.db2.gz JTHGNNDSYCJZKS-UHFFFAOYSA-N 0 0 458.499 4.575 20 30 JJEDRN C=CCCc1ccc(S(=O)(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001464210522 1068659273 /nfs/dbraw/zinc/65/92/73/1068659273.db2.gz GTWZGRDVHDXRCB-UHFFFAOYSA-N 0 0 456.608 4.577 20 30 JJEDRN N#CCc1ccc(OCc2cccc(NC(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)c2)cc1 ZINC001464271369 1068684112 /nfs/dbraw/zinc/68/41/12/1068684112.db2.gz LOOAYGWGRQMWSY-HSZRJFAPSA-N 0 0 454.448 4.893 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC001464276670 1068686214 /nfs/dbraw/zinc/68/62/14/1068686214.db2.gz NXPMVVPYXUYROL-JOCHJYFZSA-N 0 0 458.986 4.960 20 30 JJEDRN CCCN(CCC)C(=O)c1ccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001464280715 1068689429 /nfs/dbraw/zinc/68/94/29/1068689429.db2.gz LEOYPYAWVDMEMC-UHFFFAOYSA-N 0 0 455.599 4.538 20 30 JJEDRN CCc1ccccc1Oc1ccc(Cl)cc1CN(C)S(=O)(=O)N(CC)C[C@@H](C)C#N ZINC001464368210 1068720703 /nfs/dbraw/zinc/72/07/03/1068720703.db2.gz NQBDJXIFERYQRN-KRWDZBQOSA-N 0 0 450.004 4.853 20 30 JJEDRN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC001464375376 1068723479 /nfs/dbraw/zinc/72/34/79/1068723479.db2.gz MUFXVZTXXXBZCJ-CQSZACIVSA-N 0 0 459.893 4.637 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC001464573952 1068787887 /nfs/dbraw/zinc/78/78/87/1068787887.db2.gz GUXFGICNGPTTIH-OAHLLOKOSA-N 0 0 451.778 4.914 20 30 JJEDRN CC(C)(C)c1csc(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)n1 ZINC001464593543 1068793627 /nfs/dbraw/zinc/79/36/27/1068793627.db2.gz XGWUKWGTFJQXGC-UHFFFAOYSA-N 0 0 457.543 4.899 20 30 JJEDRN Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)c1 ZINC001464658285 1068813688 /nfs/dbraw/zinc/81/36/88/1068813688.db2.gz UUPFNULMHVABOJ-UHFFFAOYSA-N 0 0 454.530 4.843 20 30 JJEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)cc2)cc1 ZINC001464722970 1068839331 /nfs/dbraw/zinc/83/93/31/1068839331.db2.gz FNYJGFXVJSLBIJ-QFIPXVFZSA-N 0 0 458.493 4.720 20 30 JJEDRN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC2)c2ccccc21 ZINC001164630632 719139322 /nfs/dbraw/zinc/13/93/22/719139322.db2.gz KRFGJRQCHMATMA-NRFANRHFSA-N 0 0 488.966 4.629 20 30 JJEDRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC2)c2ccccc21 ZINC001164630041 719140187 /nfs/dbraw/zinc/14/01/87/719140187.db2.gz FQFONCMXVFZFSL-OAQYLSRUSA-N 0 0 488.966 4.629 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164646129 719289610 /nfs/dbraw/zinc/28/96/10/719289610.db2.gz NCKVASPNDLZGIU-RRQGHBQHSA-N 0 0 494.951 4.629 20 30 JJEDRN 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N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C3)C2)n1 ZINC001164663850 719358489 /nfs/dbraw/zinc/35/84/89/719358489.db2.gz HNTZYQFBUPSULH-XMMPIXPASA-N 0 0 483.950 4.823 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4cc5ccccc5nc4Cl)C3)C2)n1 ZINC001164664922 719358878 /nfs/dbraw/zinc/35/88/78/719358878.db2.gz SHOPRFODJXCMNN-XMMPIXPASA-N 0 0 483.950 4.823 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc5c(Cl)nccc5c4)C3)C2)n1 ZINC001164664602 719358988 /nfs/dbraw/zinc/35/89/88/719358988.db2.gz OXCNTTDMYOPXDR-DEOSSOPVSA-N 0 0 483.950 4.823 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)[C@H]2CC ZINC001164698532 719821711 /nfs/dbraw/zinc/82/17/11/719821711.db2.gz DQACKZFPZSCGNJ-HRAATJIYSA-N 0 0 452.908 4.893 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)[C@@H]2CC ZINC001164698534 719821860 /nfs/dbraw/zinc/82/18/60/719821860.db2.gz DQACKZFPZSCGNJ-IIBYNOLFSA-N 0 0 452.908 4.893 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)[C@H]2CC ZINC001164699672 719822054 /nfs/dbraw/zinc/82/20/54/719822054.db2.gz HUSLCELKUDKDAW-UWJYYQICSA-N 0 0 452.908 4.893 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)[C@H]2CC ZINC001164702979 719823305 /nfs/dbraw/zinc/82/33/05/719823305.db2.gz UAYZXFDHTZYGBF-PGRDOPGGSA-N 0 0 461.944 4.663 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)[C@@H]2CC ZINC001164702975 719823436 /nfs/dbraw/zinc/82/34/36/719823436.db2.gz UAYZXFDHTZYGBF-GCJKJVERSA-N 0 0 461.944 4.663 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC001164838636 720735317 /nfs/dbraw/zinc/73/53/17/720735317.db2.gz USYSNBZZCQBHBH-UHFFFAOYSA-N 0 0 484.913 4.639 20 30 JJEDRN COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164851680 720830105 /nfs/dbraw/zinc/83/01/05/720830105.db2.gz YGNDXZKIRGUKJN-XLIONFOSSA-N 0 0 456.320 4.980 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@@H]43)cnc2Cl)c1 ZINC001164762379 721011586 /nfs/dbraw/zinc/01/15/86/721011586.db2.gz VHTRTZVTPIFZLF-VJBWXMMDSA-N 0 0 482.918 4.634 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164758636 721025890 /nfs/dbraw/zinc/02/58/90/721025890.db2.gz ITYLCMCUVCMAAG-QRWLVFNGSA-N 0 0 469.319 4.545 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164758634 721025942 /nfs/dbraw/zinc/02/59/42/721025942.db2.gz ITYLCMCUVCMAAG-MGPUTAFESA-N 0 0 469.319 4.545 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@@H]32)N=C1C ZINC001164871778 721236092 /nfs/dbraw/zinc/23/60/92/721236092.db2.gz HUWHEKKTEDIORU-UTSGNWPNSA-N 0 0 483.950 4.684 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@H]32)N=C1C ZINC001164871754 721236172 /nfs/dbraw/zinc/23/61/72/721236172.db2.gz HUWHEKKTEDIORU-MEKIYTOJSA-N 0 0 483.950 4.684 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)c(Cl)nn2)c1 ZINC001164879874 721315511 /nfs/dbraw/zinc/31/55/11/721315511.db2.gz UAABPVWKUAKWHH-VOQZNFBZSA-N 0 0 497.933 4.671 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)cc1 ZINC001164881221 721359834 /nfs/dbraw/zinc/35/98/34/721359834.db2.gz AAUASAMJALCSML-RBUKOAKNSA-N 0 0 471.920 4.659 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)c1 ZINC001164883149 721360662 /nfs/dbraw/zinc/36/06/62/721360662.db2.gz NPPMMNUWOIZTQF-OALUTQOASA-N 0 0 471.920 4.659 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4[C@H](C3)OCC(=O)N4c3cccc(F)c3)cnc2Cl)cc1 ZINC001164881507 721367929 /nfs/dbraw/zinc/36/79/29/721367929.db2.gz DAHDBHIBEFGGDY-YADHBBJMSA-N 0 0 498.892 4.578 20 30 JJEDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc4ccc(C)cc4c(Cl)c3C#N)C2)C1 ZINC001164784603 721376884 /nfs/dbraw/zinc/37/68/84/721376884.db2.gz QTTDWSPXHFHSDP-SANMLTNESA-N 0 0 480.012 4.792 20 30 JJEDRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2ccc(C#N)c(Cl)n2)CCO3)cs1 ZINC001164782635 721442811 /nfs/dbraw/zinc/44/28/11/721442811.db2.gz KMZXOZFXLWONSH-UZLBHIALSA-N 0 0 468.957 4.509 20 30 JJEDRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)cc2C#N)CCO3)cs1 ZINC001164787540 721444639 /nfs/dbraw/zinc/44/46/39/721444639.db2.gz XPXORVVNJFFYLF-JXFKEZNVSA-N 0 0 468.957 4.509 20 30 JJEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)CC2 ZINC001164784413 721447741 /nfs/dbraw/zinc/44/77/41/721447741.db2.gz FDYIGNPWTGHQET-UHFFFAOYSA-N 0 0 469.923 4.817 20 30 JJEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)CC2 ZINC001164785982 721447838 /nfs/dbraw/zinc/44/78/38/721447838.db2.gz KXGQIRPTKGUOSJ-UHFFFAOYSA-N 0 0 469.923 4.817 20 30 JJEDRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)C2=O)cs1 ZINC001164892768 721460429 /nfs/dbraw/zinc/46/04/29/721460429.db2.gz XXAAORJHFGMOLH-LJQANCHMSA-N 0 0 486.375 4.589 20 30 JJEDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)CC[C@H]21 ZINC001164889797 721468005 /nfs/dbraw/zinc/46/80/05/721468005.db2.gz IWBCJBLCLUPCMB-GHTZIAJQSA-N 0 0 458.940 4.902 20 30 JJEDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)CC[C@@H]21 ZINC001164890613 721468164 /nfs/dbraw/zinc/46/81/64/721468164.db2.gz JXMHIJGSMOOCRV-RXVVDRJESA-N 0 0 458.940 4.902 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](Cn4cccn4)C3)cnc2Cl)c1 ZINC001164897310 721488163 /nfs/dbraw/zinc/48/81/63/721488163.db2.gz RVKMLZLXRQEMCL-SFHVURJKSA-N 0 0 479.922 4.548 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3Cc4nccn4C[C@H](Cn4cccn4)C3)cc2c1Cl ZINC001164899714 721488693 /nfs/dbraw/zinc/48/86/93/721488693.db2.gz ZYXYLEZAMORVJR-AWEZNQCLSA-N 0 0 488.329 4.688 20 30 JJEDRN N#Cc1c(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@H]3C2)nc1C(F)(F)F ZINC001164899457 721499893 /nfs/dbraw/zinc/49/98/93/721499893.db2.gz KNJUFSQWMOZMDX-FPMFFAJLSA-N 0 0 450.839 4.597 20 30 JJEDRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cnc(Cl)cc3C#N)CC2)Oc2ccccc21 ZINC001164796011 721593306 /nfs/dbraw/zinc/59/33/06/721593306.db2.gz ACUPIYHFJHSFSN-KRWDZBQOSA-N 0 0 488.966 4.972 20 30 JJEDRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cc(Cl)ncc3C#N)CC2)Oc2ccccc21 ZINC001164802748 721593374 /nfs/dbraw/zinc/59/33/74/721593374.db2.gz UVOBGZNPWJBMCK-KRWDZBQOSA-N 0 0 488.966 4.972 20 30 JJEDRN N#Cc1ccc(C(F)(F)N2C[C@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)nc1Cl ZINC001164911641 721739495 /nfs/dbraw/zinc/73/94/95/721739495.db2.gz JVFDJTWFDMQVJG-HYBUGGRVSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cc(C(F)(F)N2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)cnc1Cl ZINC001164913563 721740592 /nfs/dbraw/zinc/74/05/92/721740592.db2.gz WZHGWZFKJDNQRC-XUZZJYLKSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164909135 721741617 /nfs/dbraw/zinc/74/16/17/721741617.db2.gz CEOKRSSQLOBNIB-ZJSXRUAMSA-N 0 0 479.918 4.574 20 30 JJEDRN Cc1ccc([C@@H](C#N)c2ccc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910026 721745743 /nfs/dbraw/zinc/74/57/43/721745743.db2.gz YNTDYZZZKZPJQT-AREMUKBSSA-N 0 0 464.573 4.623 20 30 JJEDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)C2 ZINC001164909525 721765818 /nfs/dbraw/zinc/76/58/18/721765818.db2.gz BSTQEFQADXUERY-UHFFFAOYSA-N 0 0 486.963 4.977 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)cnc2Cl)c1 ZINC001164920373 721841370 /nfs/dbraw/zinc/84/13/70/721841370.db2.gz JBICEZQNNPDIOA-SQJMNOBHSA-N 0 0 496.945 4.883 20 30 JJEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC001164928465 721899693 /nfs/dbraw/zinc/89/96/93/721899693.db2.gz OVKNLHHZYFCZMV-UHFFFAOYSA-N 0 0 468.935 4.709 20 30 JJEDRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@@H]12 ZINC001164949335 721964858 /nfs/dbraw/zinc/96/48/58/721964858.db2.gz WXIUVYNQIUYSAS-WIYYLYMNSA-N 0 0 465.331 4.574 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@H]4C(=O)NCc4cccnc4)C3)cnc2Cl)cc1 ZINC001164955980 722035693 /nfs/dbraw/zinc/03/56/93/722035693.db2.gz AKISWEGKSNKBQR-WIOPSUGQSA-N 0 0 493.945 4.746 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CC(C(=O)NC5CCC5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164972746 722086377 /nfs/dbraw/zinc/08/63/77/722086377.db2.gz MODQLAOBACARLM-RTBURBONSA-N 0 0 470.951 4.950 20 30 JJEDRN COc1cc(C(F)(F)N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c(C#N)c(Cl)n1 ZINC001164993807 722203646 /nfs/dbraw/zinc/20/36/46/722203646.db2.gz BTVOXOSGLLHLMN-NRFANRHFSA-N 0 0 450.892 4.544 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001164998318 722221043 /nfs/dbraw/zinc/22/10/43/722221043.db2.gz IIQXKXTXWYIUCP-HXUWFJFHSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1ccc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)nc1Cl ZINC001164999476 722221183 /nfs/dbraw/zinc/22/11/83/722221183.db2.gz RRHCNOOFXNVKDO-HXUWFJFHSA-N 0 0 456.924 4.732 20 30 JJEDRN CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1ccsc1Br ZINC001359716760 1064265246 /nfs/dbraw/zinc/26/52/46/1064265246.db2.gz UAZAAHXYFUYCKK-UHFFFAOYSA-N 0 0 489.418 4.611 20 30 JJEDRN CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001359734135 1064292609 /nfs/dbraw/zinc/29/26/09/1064292609.db2.gz NATKDPUTCLYXOZ-QFIPXVFZSA-N 0 0 464.614 4.841 20 30 JJEDRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)[C@H](O)c1ccccc1C(F)(F)F ZINC001545884066 1064300616 /nfs/dbraw/zinc/30/06/16/1064300616.db2.gz IQTCMVOHIIRILB-CYBMUJFWSA-N 0 0 453.289 4.908 20 30 JJEDRN CN(C)C(=O)c1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1Cl ZINC001434866417 1064304519 /nfs/dbraw/zinc/30/45/19/1064304519.db2.gz DAOWOWRYEANPLO-UHFFFAOYSA-N 0 0 459.377 4.812 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCOC1 ZINC001434870685 1064307888 /nfs/dbraw/zinc/30/78/88/1064307888.db2.gz ACCGAOUIHPOUCV-RUZDIDTESA-N 0 0 451.523 4.611 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCNC(=O)OC(C)(C)C)C1 ZINC001359740347 1064309711 /nfs/dbraw/zinc/30/97/11/1064309711.db2.gz SKEZACDMIAGDKL-NRFANRHFSA-N 0 0 452.603 4.604 20 30 JJEDRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2Cl)n1 ZINC001434897400 1064325428 /nfs/dbraw/zinc/32/54/28/1064325428.db2.gz PLCHKGLFYMVRSR-ZDUSSCGKSA-N 0 0 457.321 4.525 20 30 JJEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1(c2cccc(Br)c2)CCOCC1 ZINC001434902559 1064330549 /nfs/dbraw/zinc/33/05/49/1064330549.db2.gz ZGCCSYHMOXTGQU-UHFFFAOYSA-N 0 0 452.270 4.642 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@@H]2C(C)C)CCS1 ZINC001359747980 1064331909 /nfs/dbraw/zinc/33/19/09/1064331909.db2.gz MGJGWRYCYVCVTO-XPWALMASSA-N 0 0 453.656 4.846 20 30 JJEDRN Cc1cc(C#N)cnc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 ZINC001434909245 1064335294 /nfs/dbraw/zinc/33/52/94/1064335294.db2.gz GBRZWKCTCGHHKQ-UHFFFAOYSA-N 0 0 452.389 4.840 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC001434912157 1064339179 /nfs/dbraw/zinc/33/91/79/1064339179.db2.gz ULYJCIXSVDEYBG-SFTDATJTSA-N 0 0 451.571 4.725 20 30 JJEDRN CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)CCS1 ZINC001359754303 1064345141 /nfs/dbraw/zinc/34/51/41/1064345141.db2.gz BTUDHYVGARVWPP-HSZRJFAPSA-N 0 0 469.655 4.513 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@@H]2C)CCS1 ZINC001359755352 1064347863 /nfs/dbraw/zinc/34/78/63/1064347863.db2.gz YJXPXWJVWDWNCD-OYDLWJJNSA-N 0 0 483.682 4.902 20 30 JJEDRN CCc1cccc(NC(=O)CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1 ZINC001434927294 1064355112 /nfs/dbraw/zinc/35/51/12/1064355112.db2.gz AMLIROIWCNYLKV-UHFFFAOYSA-N 0 0 450.354 4.907 20 30 JJEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)c1 ZINC001434927825 1064355145 /nfs/dbraw/zinc/35/51/45/1064355145.db2.gz FPTLNZXVPSYOGH-UHFFFAOYSA-N 0 0 458.461 4.688 20 30 JJEDRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1 ZINC001359756787 1064355434 /nfs/dbraw/zinc/35/54/34/1064355434.db2.gz XZUKSQOAKJDNKZ-PZJWPPBQSA-N 0 0 472.431 4.899 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC001434934544 1064360026 /nfs/dbraw/zinc/36/00/26/1064360026.db2.gz WBRQZQAJZRATOF-GOSISDBHSA-N 0 0 450.377 4.527 20 30 JJEDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1 ZINC001359763581 1064380362 /nfs/dbraw/zinc/38/03/62/1064380362.db2.gz MCDAIMSHZZHIBS-XUZZJYLKSA-N 0 0 451.615 4.806 20 30 JJEDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 ZINC001359764199 1064382455 /nfs/dbraw/zinc/38/24/55/1064382455.db2.gz WXLMRWCFGAISHA-SQJMNOBHSA-N 0 0 479.650 4.920 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)cc1 ZINC001434974670 1064389502 /nfs/dbraw/zinc/38/95/02/1064389502.db2.gz DMRAUDZGNYWHGR-SFHVURJKSA-N 0 0 459.477 4.798 20 30 JJEDRN C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(CCCc3ccccc3)cc2)ccc1F ZINC001434984130 1064400205 /nfs/dbraw/zinc/40/02/05/1064400205.db2.gz ALHHPGDWWYMKTD-UHFFFAOYSA-N 0 0 452.551 4.718 20 30 JJEDRN COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC001435009495 1064424550 /nfs/dbraw/zinc/42/45/50/1064424550.db2.gz UXGROQHEUIKOID-UHFFFAOYSA-N 0 0 456.477 4.938 20 30 JJEDRN C#CC[C@]1(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)CCCN1C(=O)OC(C)(C)C ZINC001435021392 1064439559 /nfs/dbraw/zinc/43/95/59/1064439559.db2.gz WAWWEJQSGSKSLR-HHHXNRCGSA-N 0 0 458.562 4.972 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)c1 ZINC001435029273 1064446492 /nfs/dbraw/zinc/44/64/92/1064446492.db2.gz ZEGXZNOSIAPKOF-SANMLTNESA-N 0 0 456.542 4.533 20 30 JJEDRN CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1Cc1ccc(C#N)o1 ZINC001359801123 1064468736 /nfs/dbraw/zinc/46/87/36/1064468736.db2.gz QFCTXYYGTFQKJU-QHCPKHFHSA-N 0 0 453.974 4.593 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cccc(CSCC(=O)OC)c2)s1 ZINC001435051078 1064469385 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JZSOEKVPAJYSNA-LBPRGKRZSA-N 0 0 451.283 4.534 20 30 JJEDRN COc1ccccc1[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1ccccc1 ZINC001435109676 1064519567 /nfs/dbraw/zinc/51/95/67/1064519567.db2.gz PORXHMZTFRPGJC-QHCPKHFHSA-N 0 0 451.320 4.614 20 30 JJEDRN N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001435110885 1064520551 /nfs/dbraw/zinc/52/05/51/1064520551.db2.gz ZYJROKAVZIOOGT-ZDUSSCGKSA-N 0 0 451.445 4.842 20 30 JJEDRN CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(C)CCCS1 ZINC001359849257 1064535231 /nfs/dbraw/zinc/53/52/31/1064535231.db2.gz IXKBFVMFONYHEY-HSZRJFAPSA-N 0 0 459.063 4.614 20 30 JJEDRN Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3cccc(OCC#N)c3)[C@H]2c2cccs2)cc1 ZINC001435132736 1064537319 /nfs/dbraw/zinc/53/73/19/1064537319.db2.gz WRITUVHSQFCSJS-DHLKQENFSA-N 0 0 459.571 4.760 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1OC ZINC001435134814 1064538379 /nfs/dbraw/zinc/53/83/79/1064538379.db2.gz BAMQDKYOFXDHID-NRFANRHFSA-N 0 0 457.530 4.867 20 30 JJEDRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 ZINC001359859100 1064546525 /nfs/dbraw/zinc/54/65/25/1064546525.db2.gz VLYDOILUQOHFDA-SQHAQQRYSA-N 0 0 452.558 4.507 20 30 JJEDRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 ZINC001359859099 1064546535 /nfs/dbraw/zinc/54/65/35/1064546535.db2.gz VLYDOILUQOHFDA-SHQCIBLASA-N 0 0 452.558 4.507 20 30 JJEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCC(=O)N2CCOc3ccccc32)c1 ZINC001435149925 1064549891 /nfs/dbraw/zinc/54/98/91/1064549891.db2.gz LHFZRTMYZMYULE-UHFFFAOYSA-N 0 0 459.933 4.951 20 30 JJEDRN N#Cc1cc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cnc1C(F)(F)F ZINC001435163893 1064560033 /nfs/dbraw/zinc/56/00/33/1064560033.db2.gz WSKUUUJANIHNAH-UHFFFAOYSA-N 0 0 454.231 4.505 20 30 JJEDRN CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359880449 1064573984 /nfs/dbraw/zinc/57/39/84/1064573984.db2.gz GLTMIXDQLRNJEY-HXUWFJFHSA-N 0 0 452.603 4.556 20 30 JJEDRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001359886525 1064582530 /nfs/dbraw/zinc/58/25/30/1064582530.db2.gz MOEAOTTUZKDXNC-IFMALSPDSA-N 0 0 496.656 4.762 20 30 JJEDRN O=C(CCOCC(F)(F)C(F)(F)F)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001435206633 1064591794 /nfs/dbraw/zinc/59/17/94/1064591794.db2.gz NNTSDBOFRFBABN-UHFFFAOYSA-N 0 0 458.143 4.949 20 30 JJEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)CC2)o1 ZINC001359898252 1064601529 /nfs/dbraw/zinc/60/15/29/1064601529.db2.gz WIYCHDMNUPBSCZ-UHFFFAOYSA-N 0 0 452.461 4.567 20 30 JJEDRN N#Cc1cccc(OCc2ccoc2C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 ZINC001435223037 1064603909 /nfs/dbraw/zinc/60/39/09/1064603909.db2.gz VSYKKPIKYGDXHL-UHFFFAOYSA-N 0 0 457.236 4.758 20 30 JJEDRN N#Cc1ccc(-c2cccc(CNC(=O)c3csc(I)c3)c2)s1 ZINC001435235968 1064616326 /nfs/dbraw/zinc/61/63/26/1064616326.db2.gz GWJHKHGRFWEYOX-UHFFFAOYSA-N 0 0 450.326 4.883 20 30 JJEDRN N#Cc1ccc(-c2cccc(CNC(=O)c3cnc(OC4CCOCC4)c(Cl)c3)c2)s1 ZINC001435237075 1064617349 /nfs/dbraw/zinc/61/73/49/1064617349.db2.gz OAHIZHKPKFGGJO-UHFFFAOYSA-N 0 0 453.951 4.823 20 30 JJEDRN Cn1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc2cc(Br)cnc21 ZINC001435237563 1064617483 /nfs/dbraw/zinc/61/74/83/1064617483.db2.gz RJGBFGNDIXQWCK-UHFFFAOYSA-N 0 0 451.349 4.866 20 30 JJEDRN CC(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001359903893 1064618007 /nfs/dbraw/zinc/61/80/07/1064618007.db2.gz FVEGRTDZEYOISK-UHFFFAOYSA-N 0 0 455.488 4.624 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCOc2ccccc2Br)c1C ZINC001435263168 1064639805 /nfs/dbraw/zinc/63/98/05/1064639805.db2.gz ICRKVPKRILPVPX-UHFFFAOYSA-N 0 0 453.340 4.921 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(F)c3I)c2)nc1 ZINC001435263942 1064640974 /nfs/dbraw/zinc/64/09/74/1064640974.db2.gz FXBCMXQURJOUCV-UHFFFAOYSA-N 0 0 459.218 4.742 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COc2ccccc21 ZINC001359926599 1064659309 /nfs/dbraw/zinc/65/93/09/1064659309.db2.gz VANQUCKVUMUWBJ-SFHVURJKSA-N 0 0 497.441 4.988 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nccn1C(F)F ZINC001359926788 1064660509 /nfs/dbraw/zinc/66/05/09/1064660509.db2.gz BVMBXNRMJVLSAH-UHFFFAOYSA-N 0 0 466.540 4.843 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cn(C)c3ccccc23)n1CC[S@](=O)C(C)(C)C ZINC001359926909 1064661028 /nfs/dbraw/zinc/66/10/28/1064661028.db2.gz GQXWOFKNKOGXON-XIFFEERXSA-N 0 0 468.671 4.750 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1ccsc1Br ZINC001359926873 1064661056 /nfs/dbraw/zinc/66/10/56/1064661056.db2.gz FPKLBEQQGUAOBJ-UHFFFAOYSA-N 0 0 459.417 4.979 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cc(C(C)(C)C)no1 ZINC001359927103 1064662564 /nfs/dbraw/zinc/66/25/64/1064662564.db2.gz NZBRTKRIFKTIMP-UHFFFAOYSA-N 0 0 478.597 4.816 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359927414 1064664053 /nfs/dbraw/zinc/66/40/53/1064664053.db2.gz XYBVKIFVGIGJAF-OAQYLSRUSA-N 0 0 483.661 4.697 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CCc1cccs1 ZINC001359929988 1064668028 /nfs/dbraw/zinc/66/80/28/1064668028.db2.gz TWTOXGQQQWYWEY-JOCHJYFZSA-N 0 0 451.596 4.861 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1noc2c1CCCC2 ZINC001359930423 1064668485 /nfs/dbraw/zinc/66/84/85/1064668485.db2.gz HSSGFTIYCVXRLH-NFBKMPQASA-N 0 0 468.646 4.878 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N(C)C1CCCCC1 ZINC001359931028 1064669028 /nfs/dbraw/zinc/66/90/28/1064669028.db2.gz WUUKKYXPBBNMDF-ISKFKSNPSA-N 0 0 486.705 4.754 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)c1ccsc1 ZINC001359931278 1064669340 /nfs/dbraw/zinc/66/93/40/1064669340.db2.gz ZTJUEHTYCDCTIK-OTPAQWSUSA-N 0 0 473.687 4.932 20 30 JJEDRN N#Cc1ccc(C2(C(=O)Nc3cc(F)c(F)cc3I)CCCC2)cc1 ZINC001435314502 1064686735 /nfs/dbraw/zinc/68/67/35/1064686735.db2.gz YZJSEKMCTBBTKJ-UHFFFAOYSA-N 0 0 452.242 4.892 20 30 JJEDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC001435326029 1064698927 /nfs/dbraw/zinc/69/89/27/1064698927.db2.gz STGDOEQJCVWTMC-UHFFFAOYSA-N 0 0 459.384 4.811 20 30 JJEDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)c(C(F)(F)F)cc1F ZINC001435331926 1064703782 /nfs/dbraw/zinc/70/37/82/1064703782.db2.gz HJVISSSEAHNBLE-NSHDSACASA-N 0 0 450.354 4.984 20 30 JJEDRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1 ZINC001359951314 1064709187 /nfs/dbraw/zinc/70/91/87/1064709187.db2.gz VJOVFJHWEHSXAE-JTHBVZDNSA-N 0 0 451.615 4.661 20 30 JJEDRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCOC2)cc1 ZINC001359951923 1064711850 /nfs/dbraw/zinc/71/18/50/1064711850.db2.gz JLVBOZYVFBAOOM-JOCHJYFZSA-N 0 0 451.615 4.927 20 30 JJEDRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)Cc1ccc(C#N)nc1 ZINC001435344186 1064713018 /nfs/dbraw/zinc/71/30/18/1064713018.db2.gz XDOSPXDNRFIUOF-UHFFFAOYSA-N 0 0 452.352 4.727 20 30 JJEDRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCc2cnn(C)c2)cc1 ZINC001359952184 1064713935 /nfs/dbraw/zinc/71/39/35/1064713935.db2.gz OSKHPJBADHZLHP-UHFFFAOYSA-N 0 0 475.641 4.866 20 30 JJEDRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCCC2)cc1 ZINC001359952280 1064714784 /nfs/dbraw/zinc/71/47/84/1064714784.db2.gz RIDUIBZAXPQJDZ-UHFFFAOYSA-N 0 0 451.615 4.805 20 30 JJEDRN Cc1cccc(Oc2cc(CNC(=O)Cc3ccc(Br)cc3C#N)ccn2)c1C ZINC001435349376 1064716030 /nfs/dbraw/zinc/71/60/30/1064716030.db2.gz LIHBTCGOIRAPHH-UHFFFAOYSA-N 0 0 450.336 4.984 20 30 JJEDRN CC(C)CCOc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(C)C)cc1 ZINC001359954470 1064720704 /nfs/dbraw/zinc/72/07/04/1064720704.db2.gz HHUXAGDEBCBOIK-UHFFFAOYSA-N 0 0 473.625 4.619 20 30 JJEDRN CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)Br)CC1 ZINC001359955107 1064723374 /nfs/dbraw/zinc/72/33/74/1064723374.db2.gz VZFYRODTNISXIT-UHFFFAOYSA-N 0 0 482.373 4.836 20 30 JJEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC001435368423 1064727307 /nfs/dbraw/zinc/72/73/07/1064727307.db2.gz 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COc1ccc(-n2cc(CNC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)nn2)cc1 ZINC001435483126 1064783277 /nfs/dbraw/zinc/78/32/77/1064783277.db2.gz LPZJZMWRDDAGIE-UHFFFAOYSA-N 0 0 459.893 4.523 20 30 JJEDRN CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001360004314 1064790783 /nfs/dbraw/zinc/79/07/83/1064790783.db2.gz HIPGZVKSXZEART-UHFFFAOYSA-N 0 0 451.615 4.949 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435515708 1064799229 /nfs/dbraw/zinc/79/92/29/1064799229.db2.gz YDEBINCKLJQYAC-CRAIPNDOSA-N 0 0 456.370 4.560 20 30 JJEDRN COc1ccccc1[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1ccccc1 ZINC001360033390 1064836229 /nfs/dbraw/zinc/83/62/29/1064836229.db2.gz XHCHODNPXHBKGL-QHCPKHFHSA-N 0 0 451.320 4.614 20 30 JJEDRN N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001360036853 1064845202 /nfs/dbraw/zinc/84/52/02/1064845202.db2.gz PUWRKEXVMRTNRB-OAHLLOKOSA-N 0 0 454.495 4.611 20 30 JJEDRN C=CCN1C(=O)c2ccc(C(=O)N(CC)[C@H](c3ccc(Cl)cc3)c3ccccn3)cc2C1=O ZINC001360037425 1064846512 /nfs/dbraw/zinc/84/65/12/1064846512.db2.gz KDHYXMOBJCGLEN-HSZRJFAPSA-N 0 0 459.933 4.769 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC001435606831 1064870140 /nfs/dbraw/zinc/87/01/40/1064870140.db2.gz UHWZDTWWRNMXML-UHFFFAOYSA-N 0 0 458.319 4.954 20 30 JJEDRN COC(=O)c1ccc([C@@H](OC(=O)CSc2nc(C)c(C)c(C)c2C#N)C(F)(F)F)cc1 ZINC001435608160 1064871644 /nfs/dbraw/zinc/87/16/44/1064871644.db2.gz KIOFXRSDQWKPJD-GOSISDBHSA-N 0 0 452.454 4.604 20 30 JJEDRN C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001435611006 1064874388 /nfs/dbraw/zinc/87/43/88/1064874388.db2.gz STBFGMJZOYDGKE-BCHFMIIMSA-N 0 0 457.530 4.801 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cc1C#N ZINC001435625074 1064886326 /nfs/dbraw/zinc/88/63/26/1064886326.db2.gz KPYRPRALDCBGJR-UHFFFAOYSA-N 0 0 458.503 4.688 20 30 JJEDRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001360056343 1064887117 /nfs/dbraw/zinc/88/71/17/1064887117.db2.gz BOZCBWZJDWNBMT-FQEVSTJZSA-N 0 0 470.499 4.530 20 30 JJEDRN CC(C)Oc1ccc(NC(=O)[C@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)cc1C#N ZINC001435631600 1064892757 /nfs/dbraw/zinc/89/27/57/1064892757.db2.gz UWBXORTYJTXMOE-JOCHJYFZSA-N 0 0 451.523 4.655 20 30 JJEDRN C=CCC[C@H](NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)c1ccc(C(F)(F)F)cc1 ZINC001435633532 1064894889 /nfs/dbraw/zinc/89/48/89/1064894889.db2.gz DEVZEBZWVPLMNV-IBGZPJMESA-N 0 0 459.428 4.940 20 30 JJEDRN N#Cc1ccccc1/C=C\C(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001435633976 1064895627 /nfs/dbraw/zinc/89/56/27/1064895627.db2.gz XNZKVVTWQCYTNR-NXVVXOECSA-N 0 0 451.570 4.522 20 30 JJEDRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC001360058845 1064895984 /nfs/dbraw/zinc/89/59/84/1064895984.db2.gz XFRJQASDGZYTCY-SMIHKQSGSA-N 0 0 465.642 4.909 20 30 JJEDRN COCCCOCCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001435647859 1064906032 /nfs/dbraw/zinc/90/60/32/1064906032.db2.gz MJDLSFYXJAPINF-CQSZACIVSA-N 0 0 455.317 4.887 20 30 JJEDRN CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(C#N)o2)C1 ZINC001360065871 1064908146 /nfs/dbraw/zinc/90/81/46/1064908146.db2.gz HWFWHECBKJSGIJ-HSZRJFAPSA-N 0 0 477.609 4.919 20 30 JJEDRN CC(C)COCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360066855 1064910942 /nfs/dbraw/zinc/91/09/42/1064910942.db2.gz PSBDXEDLPHYASD-HXUWFJFHSA-N 0 0 466.449 4.962 20 30 JJEDRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001435666982 1064920401 /nfs/dbraw/zinc/92/04/01/1064920401.db2.gz GSSWFPNMXAOAAA-IBGZPJMESA-N 0 0 457.962 4.762 20 30 JJEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(F)(F)c2cccc(Br)c2)n1 ZINC001435669963 1064922991 /nfs/dbraw/zinc/92/29/91/1064922991.db2.gz AXYUOJYZKSKAQY-UHFFFAOYSA-N 0 0 451.658 4.890 20 30 JJEDRN CC(C)CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001360076033 1064922982 /nfs/dbraw/zinc/92/29/82/1064922982.db2.gz CFZKULNBHXWFEJ-UHFFFAOYSA-N 0 0 463.655 4.714 20 30 JJEDRN CC(C)CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360076283 1064925048 /nfs/dbraw/zinc/92/50/48/1064925048.db2.gz KRXDDVGNZFDPDY-UGKGYDQZSA-N 0 0 498.697 4.945 20 30 JJEDRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(N2CCOC2=O)ccc1F ZINC001435689889 1064935092 /nfs/dbraw/zinc/93/50/92/1064935092.db2.gz TWHSACIOPITHIM-HNNXBMFYSA-N 0 0 450.310 4.835 20 30 JJEDRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(N2CCOC2=O)ccc1F ZINC001435689890 1064935289 /nfs/dbraw/zinc/93/52/89/1064935289.db2.gz TWHSACIOPITHIM-OAHLLOKOSA-N 0 0 450.310 4.835 20 30 JJEDRN CC(C)CSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360080141 1064936533 /nfs/dbraw/zinc/93/65/33/1064936533.db2.gz BHESPJLHKJCSIH-LJQANCHMSA-N 0 0 484.670 4.652 20 30 JJEDRN CC(C)CSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C#N)CC1 ZINC001360080343 1064937921 /nfs/dbraw/zinc/93/79/21/1064937921.db2.gz FYOXNBMARGYCFM-UHFFFAOYSA-N 0 0 466.424 4.976 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)cc1 ZINC001360081280 1064941044 /nfs/dbraw/zinc/94/10/44/1064941044.db2.gz HQFMOMRXHOYBOD-UHFFFAOYSA-N 0 0 454.486 4.789 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)COc2ccc(Br)cn2)cc1 ZINC001360081914 1064941530 /nfs/dbraw/zinc/94/15/30/1064941530.db2.gz URLOJBAIIZYWAV-UHFFFAOYSA-N 0 0 454.280 4.534 20 30 JJEDRN CC(C)CSCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001360082787 1064942894 /nfs/dbraw/zinc/94/28/94/1064942894.db2.gz MIUHMJNYDPYPOT-UHFFFAOYSA-N 0 0 482.057 4.581 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001435698305 1064944480 /nfs/dbraw/zinc/94/44/80/1064944480.db2.gz ALZWDAFDTQPBTR-OAHLLOKOSA-N 0 0 453.167 4.565 20 30 JJEDRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 ZINC001435702941 1064947504 /nfs/dbraw/zinc/94/75/04/1064947504.db2.gz KPBFASGRYRASJM-UZUQRXQVSA-N 0 0 455.986 4.719 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC001435720745 1064954627 /nfs/dbraw/zinc/95/46/27/1064954627.db2.gz NJSUWAAKHUSPCQ-AWEZNQCLSA-N 0 0 451.283 4.582 20 30 JJEDRN N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001435758524 1064979413 /nfs/dbraw/zinc/97/94/13/1064979413.db2.gz MRCSPVKEGKTYJV-QFIPXVFZSA-N 0 0 454.357 4.786 20 30 JJEDRN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001435760759 1064980543 /nfs/dbraw/zinc/98/05/43/1064980543.db2.gz WTXNRZXJVGKTET-CYBMUJFWSA-N 0 0 455.274 4.713 20 30 JJEDRN N#C[C@@H](NC(=O)c1cccc(C(=O)N2CCCCC2)c1)c1ccc(OCc2ccccc2)cc1 ZINC001435766550 1064982395 /nfs/dbraw/zinc/98/23/95/1064982395.db2.gz MJCMHSXAPGCUQK-AREMUKBSSA-N 0 0 453.542 4.886 20 30 JJEDRN N#Cc1ccc2c(c1)N(C(=O)c1cnn(-c3ncc(Cl)cc3Cl)c1C(F)(F)F)CC2 ZINC001435782521 1064989589 /nfs/dbraw/zinc/98/95/89/1064989589.db2.gz CVZRFECQVFZCTG-UHFFFAOYSA-N 0 0 452.223 4.667 20 30 JJEDRN N#C[C@@H](NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)c1c(Cl)cccc1Cl ZINC001435803295 1065000740 /nfs/dbraw/zinc/00/07/40/1065000740.db2.gz MSSBXBUABXZBQK-OAHLLOKOSA-N 0 0 455.132 4.935 20 30 JJEDRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC001435806430 1065002189 /nfs/dbraw/zinc/00/21/89/1065002189.db2.gz BMCGEHSUHXJRDQ-VXKWHMMOSA-N 0 0 451.567 4.940 20 30 JJEDRN CC(C)N(Cc1ccco1)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C#N)o1 ZINC001360118662 1065005068 /nfs/dbraw/zinc/00/50/68/1065005068.db2.gz NPCNYIKYJHVKMA-UHFFFAOYSA-N 0 0 469.343 4.567 20 30 JJEDRN CC(C)N(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCC(F)F ZINC001360119209 1065006412 /nfs/dbraw/zinc/00/64/12/1065006412.db2.gz ZCRITHXWDVFQLU-UHFFFAOYSA-N 0 0 478.503 4.912 20 30 JJEDRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 ZINC001360122705 1065012222 /nfs/dbraw/zinc/01/22/22/1065012222.db2.gz PIHRWFNWCOISFC-UHFFFAOYSA-N 0 0 451.987 4.843 20 30 JJEDRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 ZINC001360123238 1065013905 /nfs/dbraw/zinc/01/39/05/1065013905.db2.gz XTMLDPDVHAQKRG-UHFFFAOYSA-N 0 0 457.607 4.803 20 30 JJEDRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001435858812 1065028741 /nfs/dbraw/zinc/02/87/41/1065028741.db2.gz JSVYAXZKFKDHKP-FQEVSTJZSA-N 0 0 450.542 4.633 20 30 JJEDRN CC(C)c1c(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cnn1-c1ccccc1Cl ZINC001435859491 1065029319 /nfs/dbraw/zinc/02/93/19/1065029319.db2.gz PARKTQJXGBEUPC-UHFFFAOYSA-N 0 0 458.953 4.851 20 30 JJEDRN C[C@@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001435860523 1065029525 /nfs/dbraw/zinc/02/95/25/1065029525.db2.gz VCTHAZUQTIHLQD-HXUWFJFHSA-N 0 0 450.542 4.819 20 30 JJEDRN C[C@H](NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001435860500 1065029756 /nfs/dbraw/zinc/02/97/56/1065029756.db2.gz VAZUMDWUUOHYBQ-NRFANRHFSA-N 0 0 459.590 4.602 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001435887862 1065045418 /nfs/dbraw/zinc/04/54/18/1065045418.db2.gz DDQOOJBIFSQZMC-HNNXBMFYSA-N 0 0 451.350 4.959 20 30 JJEDRN CS(=O)(=O)c1ccc(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1Cl ZINC001435888506 1065045551 /nfs/dbraw/zinc/04/55/51/1065045551.db2.gz RPSSKWYEDKLPGK-UHFFFAOYSA-N 0 0 456.976 4.696 20 30 JJEDRN O=C(CSc1ccc2c(c1)OCCO2)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001435895149 1065050006 /nfs/dbraw/zinc/05/00/06/1065050006.db2.gz LNCRFRDUMTUFKQ-UHFFFAOYSA-N 0 0 456.335 4.869 20 30 JJEDRN O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cc(Br)cnc1F ZINC001435897408 1065050842 /nfs/dbraw/zinc/05/08/42/1065050842.db2.gz CJPJBEFHLVHGRE-UHFFFAOYSA-N 0 0 450.079 4.915 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)ccc1OC ZINC001360148261 1065050878 /nfs/dbraw/zinc/05/08/78/1065050878.db2.gz SOADFOJFQWOQPJ-IBGZPJMESA-N 0 0 452.942 4.513 20 30 JJEDRN C=CCn1c(SCC(=O)N(C)c2cc(OC)cc(OC)c2)nnc1-c1ccc(Cl)cc1 ZINC001435902054 1065053564 /nfs/dbraw/zinc/05/35/64/1065053564.db2.gz KEVSSFVYHLOWCM-UHFFFAOYSA-N 0 0 458.971 4.557 20 30 JJEDRN CC(C)n1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(C)(C)C)c2ccccc2c1=O ZINC001360156509 1065058621 /nfs/dbraw/zinc/05/86/21/1065058621.db2.gz CHNAJBGBHUMDGU-VWLOTQADSA-N 0 0 465.577 4.504 20 30 JJEDRN C#CCOc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 ZINC001360164413 1065062082 /nfs/dbraw/zinc/06/20/82/1065062082.db2.gz VDYNGGGMWOEJIR-LJQANCHMSA-N 0 0 459.340 4.666 20 30 JJEDRN Cc1ccc(I)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC001435934280 1065070733 /nfs/dbraw/zinc/07/07/33/1065070733.db2.gz XOWKHLUQSKFYCY-UHFFFAOYSA-N 0 0 456.287 4.629 20 30 JJEDRN CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@]3(C#N)CCc4ccccc4C3)c2)cc1 ZINC001435937789 1065072673 /nfs/dbraw/zinc/07/26/73/1065072673.db2.gz OXVMTIOFXPYNPM-GDLZYMKVSA-N 0 0 452.554 4.968 20 30 JJEDRN CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360193146 1065076249 /nfs/dbraw/zinc/07/62/49/1065076249.db2.gz QQKCBPXXKFUQPE-RTWAWAEBSA-N 0 0 486.542 4.875 20 30 JJEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 ZINC001360209606 1065081446 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C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)COc1ncccc1C(F)(F)F ZINC001545937089 1065998830 /nfs/dbraw/zinc/99/88/30/1065998830.db2.gz DDQWZSAVGKCSKK-INIZCTEOSA-N 0 0 459.509 4.624 20 30 JJEDRN Cc1ncsc1CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 ZINC001360870030 1066000652 /nfs/dbraw/zinc/00/06/52/1066000652.db2.gz MCTZUSOUZRSHFD-IBGZPJMESA-N 0 0 450.612 4.783 20 30 JJEDRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC001441045077 1066003446 /nfs/dbraw/zinc/00/34/46/1066003446.db2.gz DGZOZNFZTAEHOY-ZDUSSCGKSA-N 0 0 451.346 4.556 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCC[C@@H]2C)c1C ZINC001360870733 1066003440 /nfs/dbraw/zinc/00/34/40/1066003440.db2.gz QIRLUOXFNQLPSV-UTAZYMRLSA-N 0 0 451.615 4.716 20 30 JJEDRN COc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC001441061649 1066005198 /nfs/dbraw/zinc/00/51/98/1066005198.db2.gz YDLQIFJPXBORRC-GOSISDBHSA-N 0 0 456.365 4.813 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCOC[C@H]2CCCO2)c1C ZINC001360874384 1066013160 /nfs/dbraw/zinc/01/31/60/1066013160.db2.gz MEACHYQSGGDRHX-AZSVPQILSA-N 0 0 481.641 4.751 20 30 JJEDRN C[C@H](CCc1ccc(I)cc1)CC(=O)NCc1cc(C#N)ccc1F ZINC001360881309 1066034523 /nfs/dbraw/zinc/03/45/23/1066034523.db2.gz QBLPQZPVOLOJHE-CQSZACIVSA-N 0 0 450.295 4.577 20 30 JJEDRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3ccc(OC(F)F)cc3OC(F)F)c2N1 ZINC001441376516 1066036494 /nfs/dbraw/zinc/03/64/94/1066036494.db2.gz ZQOJTVRJGCTYQR-JMCQJSRRSA-N 0 0 456.318 4.646 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1C1CC(C(C)(C)C)C1 ZINC001545942628 1066047914 /nfs/dbraw/zinc/04/79/14/1066047914.db2.gz ANWRZSMKMAUOMV-FLLPFDRLSA-N 0 0 462.642 4.937 20 30 JJEDRN Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)sc1C ZINC001360898083 1066051110 /nfs/dbraw/zinc/05/11/10/1066051110.db2.gz NASBOLJHDIDXRC-NRFANRHFSA-N 0 0 464.639 4.917 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@](C)(O)c1cccs1 ZINC001360907612 1066061996 /nfs/dbraw/zinc/06/19/96/1066061996.db2.gz LVJGEIKUFGAHQB-FYSMJZIKSA-N 0 0 478.647 4.942 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCCC1(C)C ZINC001360907941 1066062884 /nfs/dbraw/zinc/06/28/84/1066062884.db2.gz WIEYYZWDOMOIAT-GKVSMKOHSA-N 0 0 464.639 4.914 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC001441711707 1066063351 /nfs/dbraw/zinc/06/33/51/1066063351.db2.gz FKSUWWGIAUWFIE-GOSISDBHSA-N 0 0 450.963 4.722 20 30 JJEDRN N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nc[nH]n4)cc3)s2)c(C(F)(F)F)c1 ZINC001441727272 1066064893 /nfs/dbraw/zinc/06/48/93/1066064893.db2.gz PUSFCPRYDDINMC-UHFFFAOYSA-N 0 0 454.437 4.662 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 ZINC001360916107 1066071876 /nfs/dbraw/zinc/07/18/76/1066071876.db2.gz BBOFJVGIJFFRAU-UHFFFAOYSA-N 0 0 456.019 4.628 20 30 JJEDRN C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(Oc2ccccc2)c(F)c1 ZINC001441820704 1066073290 /nfs/dbraw/zinc/07/32/90/1066073290.db2.gz XIQUDBCAJHVYCW-HNNXBMFYSA-N 0 0 456.470 4.545 20 30 JJEDRN Cc1ncsc1CCn1c(-c2cc(Br)cn2C)nnc1N(CCC#N)CCC(C)C ZINC001360917970 1066073497 /nfs/dbraw/zinc/07/34/97/1066073497.db2.gz FWASQJWEONHJGI-UHFFFAOYSA-N 0 0 490.475 4.820 20 30 JJEDRN Cc1ccsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1 ZINC001360919895 1066075568 /nfs/dbraw/zinc/07/55/68/1066075568.db2.gz FCKIJZZKFLNVCB-UHFFFAOYSA-N 0 0 454.397 4.918 20 30 JJEDRN Cc1ccsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360920361 1066076398 /nfs/dbraw/zinc/07/63/98/1066076398.db2.gz UDCAKCMKXXQZMB-OAQYLSRUSA-N 0 0 476.650 4.561 20 30 JJEDRN Cc1ncsc1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N ZINC001360925776 1066081830 /nfs/dbraw/zinc/08/18/30/1066081830.db2.gz BCFBYNZNRKXBDE-CYBMUJFWSA-N 0 0 465.410 4.767 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC1 ZINC001441933740 1066081910 /nfs/dbraw/zinc/08/19/10/1066081910.db2.gz OEVJGLBNJZQFBJ-UHFFFAOYSA-N 0 0 452.526 4.994 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001360925931 1066082310 /nfs/dbraw/zinc/08/23/10/1066082310.db2.gz TZZKPKHLQXRMAX-NRFANRHFSA-N 0 0 452.511 4.715 20 30 JJEDRN Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001360926540 1066083073 /nfs/dbraw/zinc/08/30/73/1066083073.db2.gz SJHHDUIEHITUAE-LJQANCHMSA-N 0 0 450.612 4.609 20 30 JJEDRN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(N)c1 ZINC001441994759 1066084749 /nfs/dbraw/zinc/08/47/49/1066084749.db2.gz RHOLHVQTZNWFPW-UHFFFAOYSA-N 0 0 455.923 4.632 20 30 JJEDRN Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001360935109 1066094439 /nfs/dbraw/zinc/09/44/39/1066094439.db2.gz AMQXIIGPLSMXJQ-QGZVFWFLSA-N 0 0 464.570 4.610 20 30 JJEDRN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC001442265106 1066110111 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ZJEJWUGHUAMHAO-GOSISDBHSA-N 0 0 487.048 4.591 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)c(C)o1 ZINC001360997419 1066176132 /nfs/dbraw/zinc/17/61/32/1066176132.db2.gz HHKSNVFEANJGJH-AFWDCEBSSA-N 0 0 481.572 4.805 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)c(C)o1 ZINC001361003676 1066181515 /nfs/dbraw/zinc/18/15/15/1066181515.db2.gz YYWLUDUGOAOLJH-XRHLQHRESA-N 0 0 477.609 4.719 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)c1C ZINC001361015823 1066203953 /nfs/dbraw/zinc/20/39/53/1066203953.db2.gz ANBXVPFEJRTAFW-UHFFFAOYSA-N 0 0 450.424 4.818 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361018999 1066208574 /nfs/dbraw/zinc/20/85/74/1066208574.db2.gz UXHGMBYQXULWKP-SFTDATJTSA-N 0 0 484.645 4.715 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2cccnc2OCC(F)(F)F)c1 ZINC001361018679 1066208588 /nfs/dbraw/zinc/20/85/88/1066208588.db2.gz ROJQSXDBIWNHMN-GOSISDBHSA-N 0 0 488.514 4.597 20 30 JJEDRN CC[C@@]1(C)CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC(C)(C#N)CC2)O1 ZINC001546056199 1066222573 /nfs/dbraw/zinc/22/25/73/1066222573.db2.gz CEXJAHOACAUTDK-GJZUVCINSA-N 0 0 451.615 4.550 20 30 JJEDRN CC(C)(C#N)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361026344 1066226327 /nfs/dbraw/zinc/22/63/27/1066226327.db2.gz FDKNCVQVAGLMOU-QHCPKHFHSA-N 0 0 450.535 4.550 20 30 JJEDRN N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC001453984043 1066229268 /nfs/dbraw/zinc/22/92/68/1066229268.db2.gz PHXZFCIPVJLANW-UHFFFAOYSA-N 0 0 457.599 4.742 20 30 JJEDRN Cc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(CC#N)CC2)s1 ZINC001361027574 1066230290 /nfs/dbraw/zinc/23/02/90/1066230290.db2.gz PVRZKCORPRFSNL-UHFFFAOYSA-N 0 0 450.612 4.726 20 30 JJEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001454018068 1066236179 /nfs/dbraw/zinc/23/61/79/1066236179.db2.gz LZKRVVRJASGHPU-XMMPIXPASA-N 0 0 450.583 4.874 20 30 JJEDRN CC[C@H](C(=O)N1CCC(NC(=O)c2cn(CCCC#N)c3ccccc23)CC1)c1ccccc1 ZINC001442927163 1066242480 /nfs/dbraw/zinc/24/24/80/1066242480.db2.gz XDAAPXIHKLSEDY-QHCPKHFHSA-N 0 0 456.590 4.860 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(Br)cc1O ZINC001442972938 1066248242 /nfs/dbraw/zinc/24/82/42/1066248242.db2.gz JNZILTRJUMONDA-UHFFFAOYSA-N 0 0 457.137 4.814 20 30 JJEDRN COc1cc(/C=C(/C(=O)N2CCC(Nc3ccccc3C#N)CC2)c2ccccc2)ccc1O ZINC001454241509 1066256930 /nfs/dbraw/zinc/25/69/30/1066256930.db2.gz LRRQPHQYMJUWIK-JJIBRWJFSA-N 0 0 453.542 4.916 20 30 JJEDRN COc1cccc([C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2nccn2C)c1 ZINC001454244044 1066257680 /nfs/dbraw/zinc/25/76/80/1066257680.db2.gz ITDVSCHHBYAOFZ-RUZDIDTESA-N 0 0 452.514 4.806 20 30 JJEDRN Cc1nc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)sc1SCC#N ZINC001443044380 1066258087 /nfs/dbraw/zinc/25/80/87/1066258087.db2.gz AYGLYSGOOILAEW-SFHVURJKSA-N 0 0 452.561 4.673 20 30 JJEDRN 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CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC001454343205 1066273086 /nfs/dbraw/zinc/27/30/86/1066273086.db2.gz CMSFBERZDSHOLC-FCHUYYIVSA-N 0 0 451.954 4.850 20 30 JJEDRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545954766 1066273833 /nfs/dbraw/zinc/27/38/33/1066273833.db2.gz KEKYJPJVILBMAY-TYPHKJRUSA-N 0 0 454.619 4.719 20 30 JJEDRN CCOc1ccc(N(CCC#N)C(=O)c2cc(F)c(F)cc2I)cc1 ZINC001443249944 1066284229 /nfs/dbraw/zinc/28/42/29/1066284229.db2.gz FDOQVJGCNRDLAC-UHFFFAOYSA-N 0 0 456.230 4.529 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC001443262482 1066286543 /nfs/dbraw/zinc/28/65/43/1066286543.db2.gz IIKIZUYFFPDOOB-LJQANCHMSA-N 0 0 458.628 4.631 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(CC)(CC)c1ccccc1 ZINC001361054618 1066290218 /nfs/dbraw/zinc/29/02/18/1066290218.db2.gz YPDXERDYZQREPS-UHFFFAOYSA-N 0 0 459.384 4.972 20 30 JJEDRN C=CC1(CC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1 ZINC001443361938 1066302073 /nfs/dbraw/zinc/30/20/73/1066302073.db2.gz ZPQMGSFIJXTKSG-UHFFFAOYSA-N 0 0 450.535 4.795 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1OC ZINC001454579127 1066304339 /nfs/dbraw/zinc/30/43/39/1066304339.db2.gz NGZPXJXOCSXRQS-QXHGNLAOSA-N 0 0 458.599 4.815 20 30 JJEDRN CCCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1ccc(OC)cc1 ZINC001443404254 1066306275 /nfs/dbraw/zinc/30/62/75/1066306275.db2.gz BXZJKYIRPYPTQU-KOJOFDBHSA-N 0 0 455.599 4.830 20 30 JJEDRN C=C(C)[C@@H](CC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21)OCC ZINC001454596862 1066307347 /nfs/dbraw/zinc/30/73/47/1066307347.db2.gz VCRSSGKMBDKJPV-VQIMIIECSA-N 0 0 452.389 4.982 20 30 JJEDRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)c1 ZINC001361066948 1066307544 /nfs/dbraw/zinc/30/75/44/1066307544.db2.gz YSXBXUNEBHDVJR-QFIPXVFZSA-N 0 0 476.581 4.808 20 30 JJEDRN C#Cc1cccc(N(C)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 ZINC001443411536 1066307939 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NXQNICPTIAGZBE-GKBBYZSKSA-N 0 0 486.060 4.933 20 30 JJEDRN C=CCOc1ccccc1CN(C(=O)c1cc(N)nc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC001443630376 1066340170 /nfs/dbraw/zinc/34/01/70/1066340170.db2.gz DNWVMPUOUWPQQN-UHFFFAOYSA-N 0 0 451.910 4.500 20 30 JJEDRN C=CCOc1ccccc1CN(C(=O)[C@H](O)CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC001443637370 1066342350 /nfs/dbraw/zinc/34/23/50/1066342350.db2.gz VHALWXVROYWRPJ-XMMPIXPASA-N 0 0 459.542 4.550 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(CC)OCC)ccc1Cl ZINC001454923952 1066342767 /nfs/dbraw/zinc/34/27/67/1066342767.db2.gz FRYDZHUYNWJHIP-UHFFFAOYSA-N 0 0 457.379 4.788 20 30 JJEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccsc2C(F)(F)F)CC1 ZINC001443660609 1066345643 /nfs/dbraw/zinc/34/56/43/1066345643.db2.gz CPXFEHKHJHUCQJ-OAHLLOKOSA-N 0 0 458.303 4.552 20 30 JJEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC001443722752 1066356849 /nfs/dbraw/zinc/35/68/49/1066356849.db2.gz AOYIDUFUSUNQEL-UHFFFAOYSA-N 0 0 452.942 4.585 20 30 JJEDRN COc1cccc([C@@H](C)N2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)c1 ZINC001443726193 1066358168 /nfs/dbraw/zinc/35/81/68/1066358168.db2.gz FGHTUNYDXLKKME-OAQYLSRUSA-N 0 0 455.558 4.665 20 30 JJEDRN Cc1ccc(C(=O)NCCn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@H](C)C#N)cc1 ZINC001361120277 1066370884 /nfs/dbraw/zinc/37/08/84/1066370884.db2.gz RVOVSTAWYAXONY-LJQANCHMSA-N 0 0 476.650 4.610 20 30 JJEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001455218367 1066372089 /nfs/dbraw/zinc/37/20/89/1066372089.db2.gz JNIZZVWNJPGJRL-SIKLNZKXSA-N 0 0 456.489 4.974 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545962731 1066375211 /nfs/dbraw/zinc/37/52/11/1066375211.db2.gz IVTCVLJWJFMFHF-RXVVDRJESA-N 0 0 452.603 4.746 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1OC ZINC001443889955 1066381504 /nfs/dbraw/zinc/38/15/04/1066381504.db2.gz NMYPLOLQHJYLLL-AKERNLMBSA-N 0 0 458.961 4.847 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001361126330 1066383572 /nfs/dbraw/zinc/38/35/72/1066383572.db2.gz QBLVNIRJNHOCKZ-UNMCSNQZSA-N 0 0 451.615 4.702 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCOC[C@H]2C)c1 ZINC001361126328 1066383654 /nfs/dbraw/zinc/38/36/54/1066383654.db2.gz QBLVNIRJNHOCKZ-IRLDBZIGSA-N 0 0 451.615 4.702 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCOC2)c1 ZINC001361126609 1066385183 /nfs/dbraw/zinc/38/51/83/1066385183.db2.gz WCIZLXPHEPMYRB-QFIPXVFZSA-N 0 0 451.615 4.846 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545963360 1066387538 /nfs/dbraw/zinc/38/75/38/1066387538.db2.gz VFECJHXUBDNMAY-SFTDATJTSA-N 0 0 484.670 4.698 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545963359 1066387730 /nfs/dbraw/zinc/38/77/30/1066387730.db2.gz VFECJHXUBDNMAY-RTWAWAEBSA-N 0 0 484.670 4.698 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(CC(C)C)CC2)c1 ZINC001361130299 1066395796 /nfs/dbraw/zinc/39/57/96/1066395796.db2.gz LRMGXPYHXDZMRP-OAQYLSRUSA-N 0 0 451.615 4.844 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC001455521538 1066403843 /nfs/dbraw/zinc/40/38/43/1066403843.db2.gz ZYBALPAYYMDEJW-QMTHXVAHSA-N 0 0 458.374 4.620 20 30 JJEDRN C#CCN(C(=O)Cc1c(C)cc(N(C)C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC001444120189 1066409466 /nfs/dbraw/zinc/40/94/66/1066409466.db2.gz KBPZKXOSZNJTJT-JOCHJYFZSA-N 0 0 455.396 4.660 20 30 JJEDRN C#CCN(C(=O)C[C@H](C)N1CCc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 ZINC001444126370 1066410253 /nfs/dbraw/zinc/41/02/53/1066410253.db2.gz WDRNKVVTMTXESF-HTAPYJJXSA-N 0 0 453.380 4.576 20 30 JJEDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC001361138939 1066413610 /nfs/dbraw/zinc/41/36/10/1066413610.db2.gz VBYXPTSWYCLJJW-UHFFFAOYSA-N 0 0 452.557 4.875 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361145436 1066428051 /nfs/dbraw/zinc/42/80/51/1066428051.db2.gz XTRFXDAWTWONEY-NNWRFLSQSA-N 0 0 496.656 4.858 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2c(Cl)c(C(F)(F)F)nn2C)c1 ZINC001361145479 1066428109 /nfs/dbraw/zinc/42/81/09/1066428109.db2.gz YWNOGEDRRJBCSX-HNNXBMFYSA-N 0 0 495.937 4.666 20 30 JJEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cc1C ZINC001455804803 1066433768 /nfs/dbraw/zinc/43/37/68/1066433768.db2.gz APEAUZGMWUADPD-IFMALSPDSA-N 0 0 479.625 4.704 20 30 JJEDRN C#CCN(C(=O)c1ccc(OCCC)c(OCCC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455813521 1066436910 /nfs/dbraw/zinc/43/69/10/1066436910.db2.gz RNBURZPGJAGKBN-UHFFFAOYSA-N 0 0 458.599 4.739 20 30 JJEDRN C=C(C)COc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 ZINC001455929764 1066453071 /nfs/dbraw/zinc/45/30/71/1066453071.db2.gz RXSMCYYFSKOJQH-UHFFFAOYSA-N 0 0 452.248 4.715 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361155434 1066454218 /nfs/dbraw/zinc/45/42/18/1066454218.db2.gz CLDHCEOKYPJYLQ-SXOMAYOGSA-N 0 0 465.642 4.935 20 30 JJEDRN Cc1ccc(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cc1OC(F)F ZINC001444438486 1066461915 /nfs/dbraw/zinc/46/19/15/1066461915.db2.gz YTWZEPMCAYSHPQ-FQEVSTJZSA-N 0 0 457.477 4.941 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC2(C)C)ccc1Cl ZINC001444456092 1066462684 /nfs/dbraw/zinc/46/26/84/1066462684.db2.gz GMJSUVXSESZWAX-UHFFFAOYSA-N 0 0 453.391 4.999 20 30 JJEDRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC001455984362 1066467027 /nfs/dbraw/zinc/46/70/27/1066467027.db2.gz OEPIVONAAYJQND-SFTDATJTSA-N 0 0 459.468 4.510 20 30 JJEDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001361161478 1066467874 /nfs/dbraw/zinc/46/78/74/1066467874.db2.gz ODBCGPDSXKPVNE-UHFFFAOYSA-N 0 0 454.574 4.911 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC001456024349 1066479808 /nfs/dbraw/zinc/47/98/08/1066479808.db2.gz IMAJSWDVKNXKHK-VQTJNVASSA-N 0 0 451.542 4.628 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)c3nc4ccc(Br)cn4c3F)c2)nc1 ZINC001444605591 1066480911 /nfs/dbraw/zinc/48/09/11/1066480911.db2.gz GXWLCQYXZCSIMV-UHFFFAOYSA-N 0 0 452.243 4.547 20 30 JJEDRN N#Cc1cccc(OCc2ccoc2C(=O)NCC2(c3ccccc3Cl)CCOCC2)c1 ZINC001456028496 1066481553 /nfs/dbraw/zinc/48/15/53/1066481553.db2.gz AMBLLCPPEHULHE-UHFFFAOYSA-N 0 0 450.922 4.862 20 30 JJEDRN C[C@H](OC(=O)c1ccc(I)c(Br)c1)c1ccc(C#N)cc1 ZINC001361168750 1066482116 /nfs/dbraw/zinc/48/21/16/1066482116.db2.gz LBPUHDPWLAKJAO-JTQLQIEISA-N 0 0 456.077 4.843 20 30 JJEDRN CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545968311 1066487267 /nfs/dbraw/zinc/48/72/67/1066487267.db2.gz CBHFSZLGACTOQS-SFTDATJTSA-N 0 0 452.603 4.602 20 30 JJEDRN CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545968308 1066487502 /nfs/dbraw/zinc/48/75/02/1066487502.db2.gz CBHFSZLGACTOQS-LEWJYISDSA-N 0 0 452.603 4.602 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1Cl)c1ccccc1OC ZINC001444667783 1066490811 /nfs/dbraw/zinc/49/08/11/1066490811.db2.gz LRSXMJSHDFUYJU-RBBKRZOGSA-N 0 0 456.970 4.861 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1Cl)c1ccccc1OC ZINC001444667776 1066490862 /nfs/dbraw/zinc/49/08/62/1066490862.db2.gz LRSXMJSHDFUYJU-IRLDBZIGSA-N 0 0 456.970 4.861 20 30 JJEDRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001456048151 1066492194 /nfs/dbraw/zinc/49/21/94/1066492194.db2.gz KQGSGSXXIRLFTP-HSZRJFAPSA-N 0 0 457.555 4.600 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccccc2NC(=O)OC(C)(C)C)o1 ZINC001361175496 1066492824 /nfs/dbraw/zinc/49/28/24/1066492824.db2.gz PGFUPBVPMYFCQC-MRXNPFEDSA-N 0 0 450.543 4.838 20 30 JJEDRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC001444699235 1066494595 /nfs/dbraw/zinc/49/45/95/1066494595.db2.gz ZMEOLVZNXJWSMB-JOCHJYFZSA-N 0 0 454.412 4.935 20 30 JJEDRN C#CCN(CC(=O)N[C@@H](c1ccc(OC)cc1C)c1ccccc1Cl)C(=O)OC(C)(C)C ZINC001444700036 1066495089 /nfs/dbraw/zinc/49/50/89/1066495089.db2.gz BNAQIXRCSIWMHO-QHCPKHFHSA-N 0 0 456.970 4.733 20 30 JJEDRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001546078954 1066498797 /nfs/dbraw/zinc/49/87/97/1066498797.db2.gz CKMRQESBNYYGTI-BXKMTCNYSA-N 0 0 466.611 4.567 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ccc(OC(C)(C)C)nc2)o1 ZINC001361178359 1066498934 /nfs/dbraw/zinc/49/89/34/1066498934.db2.gz MCMKXQVKCJUMPP-UHFFFAOYSA-N 0 0 456.550 4.975 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCc2ccc(OCC(F)(F)F)nc2)o1 ZINC001361178976 1066500055 /nfs/dbraw/zinc/50/00/55/1066500055.db2.gz WJWODHGMUKDAJA-UHFFFAOYSA-N 0 0 496.493 4.933 20 30 JJEDRN CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001545969335 1066504989 /nfs/dbraw/zinc/50/49/89/1066504989.db2.gz VZGFKAYTVQOBDF-QFIPXVFZSA-N 0 0 494.640 4.515 20 30 JJEDRN N#Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(C(F)(F)F)c(I)c1 ZINC001456109535 1066511075 /nfs/dbraw/zinc/51/10/75/1066511075.db2.gz ZEVGJUSUZWZESV-UHFFFAOYSA-N 0 0 455.177 4.915 20 30 JJEDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccc(C#N)cc1OC)CCO2 ZINC001444854367 1066513556 /nfs/dbraw/zinc/51/35/56/1066513556.db2.gz KNQRUZNMTSGFBD-QHCPKHFHSA-N 0 0 458.514 4.507 20 30 JJEDRN N#Cc1cc(NC(=O)CS(=O)(=O)C2CCCC2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001444932838 1066519455 /nfs/dbraw/zinc/51/94/55/1066519455.db2.gz INFCOPRRWRAORV-UHFFFAOYSA-N 0 0 452.454 4.665 20 30 JJEDRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2Cc2ccc(C#N)o2)cc1Br ZINC001361196842 1066525010 /nfs/dbraw/zinc/52/50/10/1066525010.db2.gz UZCCCZYZHGCFSF-GASCZTMLSA-N 0 0 472.412 4.859 20 30 JJEDRN Cc1ccccc1Oc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001456159416 1066525786 /nfs/dbraw/zinc/52/57/86/1066525786.db2.gz VGYWNHLBEBKBDC-HXUWFJFHSA-N 0 0 459.933 4.982 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2c(C)sc(C)c2Br)o1 ZINC001361205011 1066536020 /nfs/dbraw/zinc/53/60/20/1066536020.db2.gz AUNKNMDCWLDGML-IBGZPJMESA-N 0 0 464.364 4.778 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2C[C@H](F)C2)cc1Br ZINC001361205593 1066537461 /nfs/dbraw/zinc/53/74/61/1066537461.db2.gz MJCJTEKLGLNAIL-UVFQYZLESA-N 0 0 450.331 4.596 20 30 JJEDRN N#C[C@@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC001445095326 1066539198 /nfs/dbraw/zinc/53/91/98/1066539198.db2.gz XLVIIOURXPUHII-MRXNPFEDSA-N 0 0 456.193 4.963 20 30 JJEDRN COc1ccc2sc(C(=O)NCCCc3nn(-c4ccc(C)cc4)c(N)c3C#N)c(C)c2c1 ZINC001445155763 1066540735 /nfs/dbraw/zinc/54/07/35/1066540735.db2.gz LKYXPXZOHLTUGJ-UHFFFAOYSA-N 0 0 459.575 4.529 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCC[C@H]2C)cc1Br ZINC001361211793 1066545429 /nfs/dbraw/zinc/54/54/29/1066545429.db2.gz AKFLJCLEMCVWAO-ZQMYSKGWSA-N 0 0 472.431 4.697 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@H](Cc4ccc(C#N)cc4)C3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361211904 1066545953 /nfs/dbraw/zinc/54/59/53/1066545953.db2.gz COQMKFFRCHKKDP-JOCHJYFZSA-N 0 0 490.608 4.702 20 30 JJEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001456266112 1066549693 /nfs/dbraw/zinc/54/96/93/1066549693.db2.gz ORFHVOPSASYSHD-SFHVURJKSA-N 0 0 450.848 4.521 20 30 JJEDRN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 ZINC001361215157 1066552084 /nfs/dbraw/zinc/55/20/84/1066552084.db2.gz ILHAMLBWFZWSMD-UHFFFAOYSA-N 0 0 454.935 4.837 20 30 JJEDRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC001456272682 1066552245 /nfs/dbraw/zinc/55/22/45/1066552245.db2.gz FPSJSBOREBCKTA-HXUWFJFHSA-N 0 0 454.452 4.519 20 30 JJEDRN O=C(N1CC[C@@H](C(F)(F)F)C1)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001456274101 1066552992 /nfs/dbraw/zinc/55/29/92/1066552992.db2.gz ALPQLVQHXNGZGE-MRVPVSSYSA-N 0 0 456.127 4.850 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cc2ccc(Cl)cc2Br)ccc1OC ZINC001456300750 1066558555 /nfs/dbraw/zinc/55/85/55/1066558555.db2.gz GDJQJFVPHVEUAU-MRXNPFEDSA-N 0 0 451.748 4.651 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2Cc2c(F)cc(F)c(F)c2F)o1 ZINC001361220953 1066558983 /nfs/dbraw/zinc/55/89/83/1066558983.db2.gz JSLPZSNAYTXYFI-LBPRGKRZSA-N 0 0 491.411 4.524 20 30 JJEDRN N#CCOc1cccc(CNC(=O)c2cccnc2Sc2ccc(Br)cc2)c1 ZINC001456302461 1066559080 /nfs/dbraw/zinc/55/90/80/1066559080.db2.gz UEGPJLCMGGWMKB-UHFFFAOYSA-N 0 0 454.349 4.828 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)ccc1OC ZINC001456308061 1066560134 /nfs/dbraw/zinc/56/01/34/1066560134.db2.gz WIUALKOVUSVWGB-FQEVSTJZSA-N 0 0 452.942 4.762 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CCSCC(C)C)o1 ZINC001361222425 1066561094 /nfs/dbraw/zinc/56/10/94/1066561094.db2.gz CRHVIKAODXDTRD-UHFFFAOYSA-N 0 0 468.602 4.573 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC(C)C2)c1 ZINC001445367344 1066563130 /nfs/dbraw/zinc/56/31/30/1066563130.db2.gz OPIVXPOCIWXYAQ-UHFFFAOYSA-N 0 0 453.391 4.903 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@H](C)CC(C)(C)OC)nnc1-c1ccc(Cl)cc1Cl ZINC001361230511 1066569396 /nfs/dbraw/zinc/56/93/96/1066569396.db2.gz WMEUCZUEEDAKQD-CYBMUJFWSA-N 0 0 457.427 4.850 20 30 JJEDRN C[C@@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001445435411 1066570961 /nfs/dbraw/zinc/57/09/61/1066570961.db2.gz JHFLCXZZIDSWPZ-PKOBYXMFSA-N 0 0 452.517 4.846 20 30 JJEDRN C[C@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445433652 1066571110 /nfs/dbraw/zinc/57/11/10/1066571110.db2.gz CSVPPBYJTYDDGG-QGZVFWFLSA-N 0 0 452.517 4.846 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)NCCCNC(=O)c2cccc(F)c2)cc1Cl ZINC001456425403 1066582550 /nfs/dbraw/zinc/58/25/50/1066582550.db2.gz FIXOGNZYEHABAK-UHFFFAOYSA-N 0 0 451.885 4.693 20 30 JJEDRN COc1ccccc1Oc1ccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 ZINC001456432676 1066583928 /nfs/dbraw/zinc/58/39/28/1066583928.db2.gz RBLFTHCCPSEMTA-HXUWFJFHSA-N 0 0 453.539 4.691 20 30 JJEDRN C#CCN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001456445747 1066588578 /nfs/dbraw/zinc/58/85/78/1066588578.db2.gz IORWFIIBJZTZAB-KNQAVFIVSA-N 0 0 454.364 4.942 20 30 JJEDRN Cn1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc(Br)c1=O ZINC001445564000 1066588590 /nfs/dbraw/zinc/58/85/90/1066588590.db2.gz QTBMGFVXVYDORN-UHFFFAOYSA-N 0 0 458.699 4.717 20 30 JJEDRN C=CCOc1ccccc1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC001456447404 1066589102 /nfs/dbraw/zinc/58/91/02/1066589102.db2.gz LBVNJRUQURXENQ-UHFFFAOYSA-N 0 0 453.542 4.972 20 30 JJEDRN C#CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001456452435 1066590902 /nfs/dbraw/zinc/59/09/02/1066590902.db2.gz ZICRGUXFMHYWEA-FQEVSTJZSA-N 0 0 455.352 4.643 20 30 JJEDRN C#CCN(C(=O)c1cnn(CCC(C)C)c1CC)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456452030 1066591054 /nfs/dbraw/zinc/59/10/54/1066591054.db2.gz XKTPITVDMJAMQP-OAQYLSRUSA-N 0 0 458.400 4.853 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC001361249695 1066593619 /nfs/dbraw/zinc/59/36/19/1066593619.db2.gz BFWSEPONMIYEFM-MRXNPFEDSA-N 0 0 466.611 4.736 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)CCC[S@](=O)c3ccc(Br)cc3)CC2)cc1 ZINC001456492034 1066598392 /nfs/dbraw/zinc/59/83/92/1066598392.db2.gz YAYFTDJFZJYUJI-NDEPHWFRSA-N 0 0 459.409 4.615 20 30 JJEDRN Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001361272920 1066628176 /nfs/dbraw/zinc/62/81/76/1066628176.db2.gz LVNAHBLDBRSADE-UHFFFAOYSA-N 0 0 459.497 4.583 20 30 JJEDRN CCOC(=O)[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccc(O)c1 ZINC001445872820 1066629688 /nfs/dbraw/zinc/62/96/88/1066629688.db2.gz BJNWMBAQWQKVMF-JOCHJYFZSA-N 0 0 450.878 4.744 20 30 JJEDRN Cc1ccc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)cn1 ZINC001361273718 1066630217 /nfs/dbraw/zinc/63/02/17/1066630217.db2.gz YHXGQKSRNNRJKE-HXUWFJFHSA-N 0 0 475.753 4.555 20 30 JJEDRN Cc1ccc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)cn1 ZINC001361273717 1066630253 /nfs/dbraw/zinc/63/02/53/1066630253.db2.gz YHXGQKSRNNRJKE-FQEVSTJZSA-N 0 0 475.753 4.555 20 30 JJEDRN C=CCn1c(SCC(=O)N(CC#N)C2CCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC001456579556 1066630417 /nfs/dbraw/zinc/63/04/17/1066630417.db2.gz DVJZTVAVFSUXBT-UHFFFAOYSA-N 0 0 450.395 4.825 20 30 JJEDRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(CC#N)CC2)c(OCC(F)(F)F)c1 ZINC001361276357 1066634101 /nfs/dbraw/zinc/63/41/01/1066634101.db2.gz DKEUYABPABZRIV-UHFFFAOYSA-N 0 0 458.488 4.701 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001361287802 1066645875 /nfs/dbraw/zinc/64/58/75/1066645875.db2.gz CQEHOJVXKBHEJJ-MRXNPFEDSA-N 0 0 457.477 4.631 20 30 JJEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CSc1cc(C)c(Br)cc1C ZINC001361288340 1066646373 /nfs/dbraw/zinc/64/63/73/1066646373.db2.gz MEBBKLRBCMMTRJ-UHFFFAOYSA-N 0 0 456.369 4.558 20 30 JJEDRN CCc1ccccc1O[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1 ZINC001446019652 1066646391 /nfs/dbraw/zinc/64/63/91/1066646391.db2.gz AYJBIIQBCYCIDG-MHZLTWQESA-N 0 0 455.558 4.841 20 30 JJEDRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC001446020761 1066647281 /nfs/dbraw/zinc/64/72/81/1066647281.db2.gz FMTFGNHOBDQRFN-UHFFFAOYSA-N 0 0 452.967 4.857 20 30 JJEDRN C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001456630173 1066651451 /nfs/dbraw/zinc/65/14/51/1066651451.db2.gz WHHHWQQTHJTRMB-DYESRHJHSA-N 0 0 451.592 4.836 20 30 JJEDRN Cc1ccccc1OCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC#N ZINC001492600104 1066652553 /nfs/dbraw/zinc/65/25/53/1066652553.db2.gz GYRANBPBTMDDDL-INIZCTEOSA-N 0 0 457.376 4.552 20 30 JJEDRN COc1cc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)ccc1C#N ZINC001456644083 1066656034 /nfs/dbraw/zinc/65/60/34/1066656034.db2.gz VBYPQEDGEGGYLD-UHFFFAOYSA-N 0 0 455.829 4.990 20 30 JJEDRN CCNc1ccc(C#N)cc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 ZINC001446109861 1066661232 /nfs/dbraw/zinc/66/12/32/1066661232.db2.gz ZTCSSQBRXQLVOF-GOSISDBHSA-N 0 0 457.962 4.942 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccccc4C(F)(F)F)cs3)CC2=O)cc1 ZINC001456658453 1066661254 /nfs/dbraw/zinc/66/12/54/1066661254.db2.gz HHLIEYQUDGFKBV-CQSZACIVSA-N 0 0 456.449 4.692 20 30 JJEDRN Cc1cccnc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H](C)CC#N ZINC001492605303 1066662559 /nfs/dbraw/zinc/66/25/59/1066662559.db2.gz XWDGSCGETAMFND-AWEZNQCLSA-N 0 0 459.779 4.851 20 30 JJEDRN Cc1cccnc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC#N)CCC(C)C ZINC001492605368 1066663176 /nfs/dbraw/zinc/66/31/76/1066663176.db2.gz AFHRZBCNJBDFDY-JOCHJYFZSA-N 0 0 495.672 4.911 20 30 JJEDRN Cc1cccnc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC#N)CCC(C)C ZINC001492605369 1066663188 /nfs/dbraw/zinc/66/31/88/1066663188.db2.gz AFHRZBCNJBDFDY-QFIPXVFZSA-N 0 0 495.672 4.911 20 30 JJEDRN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F ZINC001446130858 1066663338 /nfs/dbraw/zinc/66/33/38/1066663338.db2.gz XJVZVMIZCRMRQJ-UHFFFAOYSA-N 0 0 458.355 4.664 20 30 JJEDRN CCOC(=O)CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(F)cn1 ZINC001456669632 1066663733 /nfs/dbraw/zinc/66/37/33/1066663733.db2.gz JQCPFMFFGDKYCQ-UHFFFAOYSA-N 0 0 453.857 4.748 20 30 JJEDRN C=CCC[C@H](NC(=O)c1cnc2ccc(I)cc2c1O)c1ccccc1 ZINC001545981540 1066665992 /nfs/dbraw/zinc/66/59/92/1066665992.db2.gz VSJODIKDGGBVCE-SFHVURJKSA-N 0 0 458.299 4.570 20 30 JJEDRN CN1CC[C@@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@@H]1c1ccc(F)cc1 ZINC001446196849 1066674127 /nfs/dbraw/zinc/67/41/27/1066674127.db2.gz RAORRTSOVUTFSK-GGAORHGYSA-N 0 0 454.977 4.519 20 30 JJEDRN N#C[C@@H](NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O)c1cccc(Br)c1 ZINC001446224299 1066675705 /nfs/dbraw/zinc/67/57/05/1066675705.db2.gz ATQZTJGSMPKUFI-OAHLLOKOSA-N 0 0 450.214 4.716 20 30 JJEDRN CC[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001456771153 1066685314 /nfs/dbraw/zinc/68/53/14/1066685314.db2.gz AMPUFNOFXXHUOD-HXUWFJFHSA-N 0 0 459.897 4.642 20 30 JJEDRN N#Cc1ccc(OCC(=O)OCc2ccc(Br)cc2Cl)cc1Br ZINC001456779561 1066688501 /nfs/dbraw/zinc/68/85/01/1066688501.db2.gz DFOBMJMOYMYMPN-UHFFFAOYSA-N 0 0 459.521 4.859 20 30 JJEDRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1=O ZINC001456787742 1066690882 /nfs/dbraw/zinc/69/08/82/1066690882.db2.gz PBKDOIVZSQOANV-DYESRHJHSA-N 0 0 455.562 4.866 20 30 JJEDRN Cc1cn2c(n1)[C@@H](Cn1c(-c3ccc(Cl)nc3)nnc1N(CCC#N)CCC(C)C)CCC2 ZINC001492629340 1066700922 /nfs/dbraw/zinc/70/09/22/1066700922.db2.gz ZTJSUECBFSCUOM-HXUWFJFHSA-N 0 0 467.021 4.842 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H](C)C#N)s1 ZINC001492629990 1066703057 /nfs/dbraw/zinc/70/30/57/1066703057.db2.gz LJVXCLMPYFDJCJ-KGLIPLIRSA-N 0 0 459.417 4.872 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H](C)C#N)s1 ZINC001492629992 1066703068 /nfs/dbraw/zinc/70/30/68/1066703068.db2.gz LJVXCLMPYFDJCJ-ZIAGYGMSSA-N 0 0 459.417 4.872 20 30 JJEDRN N#CCC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccc1 ZINC001446493343 1066710825 /nfs/dbraw/zinc/71/08/25/1066710825.db2.gz MKVLJYOLORYXTQ-QFIPXVFZSA-N 0 0 455.486 4.540 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)C)C2)s1 ZINC001492632640 1066711473 /nfs/dbraw/zinc/71/14/73/1066711473.db2.gz JNDYDHVDDFNLCM-YLJYHZDGSA-N 0 0 450.612 4.780 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)s1 ZINC001492633369 1066713943 /nfs/dbraw/zinc/71/39/43/1066713943.db2.gz YWGNYVCGVFSCHW-HNNXBMFYSA-N 0 0 472.565 4.779 20 30 JJEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001456905688 1066717926 /nfs/dbraw/zinc/71/79/26/1066717926.db2.gz CMVIFBVDKVRPJX-DYESRHJHSA-N 0 0 450.539 4.653 20 30 JJEDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC001456926634 1066723841 /nfs/dbraw/zinc/72/38/41/1066723841.db2.gz SHXDMPPWZJOFRQ-KRWDZBQOSA-N 0 0 450.516 4.550 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)n1 ZINC001492638903 1066727481 /nfs/dbraw/zinc/72/74/81/1066727481.db2.gz LDPRRGPEYRPDRV-HNNXBMFYSA-N 0 0 472.565 4.779 20 30 JJEDRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC001456947757 1066728048 /nfs/dbraw/zinc/72/80/48/1066728048.db2.gz OMJGJJWYAMZSIZ-UHFFFAOYSA-N 0 0 453.486 4.640 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)C)C2)n1 ZINC001492639065 1066728112 /nfs/dbraw/zinc/72/81/12/1066728112.db2.gz MWYNYCNKDBFOKN-XLIONFOSSA-N 0 0 450.612 4.780 20 30 JJEDRN C#CCOCCNC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C ZINC001446748647 1066735826 /nfs/dbraw/zinc/73/58/26/1066735826.db2.gz JDJCVAPITBSPQA-UHFFFAOYSA-N 0 0 454.526 4.736 20 30 JJEDRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2=O)cc1 ZINC001457007819 1066740013 /nfs/dbraw/zinc/74/00/13/1066740013.db2.gz JUOWOXHYUXOPDS-SFHVURJKSA-N 0 0 459.477 4.880 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC001457015516 1066743248 /nfs/dbraw/zinc/74/32/48/1066743248.db2.gz BWBPULRAAJMHGD-UHFFFAOYSA-N 0 0 459.340 4.966 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)Nc1nc2ccccc2n1-c1ccccc1F)c1ccccc1 ZINC001457014693 1066743362 /nfs/dbraw/zinc/74/33/62/1066743362.db2.gz BMOCTKCPHNSYOJ-UHFFFAOYSA-N 0 0 455.493 4.830 20 30 JJEDRN Cc1csc(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@](C)(C#N)C2)n1 ZINC001492644681 1066743340 /nfs/dbraw/zinc/74/33/40/1066743340.db2.gz WOIKXFWMOYZOFS-OAQYLSRUSA-N 0 0 488.459 4.954 20 30 JJEDRN CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001446984482 1066761978 /nfs/dbraw/zinc/76/19/78/1066761978.db2.gz FSICAWKMSSXSST-LEWJYISDSA-N 0 0 453.468 4.753 20 30 JJEDRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@@H](c3ccccc3OC(F)F)C(F)(F)F)c2N1 ZINC001447009395 1066765006 /nfs/dbraw/zinc/76/50/06/1066765006.db2.gz IAIJPFFCZOLECX-WQHBLYJGSA-N 0 0 472.336 4.825 20 30 JJEDRN Cc1nc(C)c(CCn2c([C@H]3COc4ccccc4O3)nnc2N(CCC#N)CCC(C)C)s1 ZINC001492656652 1066769360 /nfs/dbraw/zinc/76/93/60/1066769360.db2.gz LCWMULPOOKFAPD-JOCHJYFZSA-N 0 0 480.638 4.873 20 30 JJEDRN CCOc1cccc(N2CCC(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)n1 ZINC001457143840 1066772095 /nfs/dbraw/zinc/77/20/95/1066772095.db2.gz LTFFXROULMCTES-UHFFFAOYSA-N 0 0 456.546 4.737 20 30 JJEDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)n1 ZINC001457145916 1066772485 /nfs/dbraw/zinc/77/24/85/1066772485.db2.gz BYWMUFNDQWNKHA-QGZVFWFLSA-N 0 0 454.486 4.687 20 30 JJEDRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)s1 ZINC001492658914 1066774215 /nfs/dbraw/zinc/77/42/15/1066774215.db2.gz LCYBVQXCKGBHQO-MRXNPFEDSA-N 0 0 454.575 4.809 20 30 JJEDRN Cc1nc(C)c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@](F)(C#N)C2)s1 ZINC001492659246 1066775213 /nfs/dbraw/zinc/77/52/13/1066775213.db2.gz VMPQPMCNRFWLBM-SBUREZEXSA-N 0 0 454.575 4.599 20 30 JJEDRN Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(C#N)CC2)s1 ZINC001492659315 1066775266 /nfs/dbraw/zinc/77/52/66/1066775266.db2.gz XPIRNKOQJLUFBJ-UHFFFAOYSA-N 0 0 457.401 4.569 20 30 JJEDRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001457162205 1066776954 /nfs/dbraw/zinc/77/69/54/1066776954.db2.gz BJVOHHQUQPQVIC-UHFFFAOYSA-N 0 0 457.534 4.842 20 30 JJEDRN Cc1nc(C)c(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(CCC#N)CC2CC2)s1 ZINC001492660742 1066778488 /nfs/dbraw/zinc/77/84/88/1066778488.db2.gz TXTNBCYFJGCVML-IBGZPJMESA-N 0 0 485.658 4.602 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(COC(C)(C)C)c2)cs1 ZINC001492664010 1066784048 /nfs/dbraw/zinc/78/40/48/1066784048.db2.gz BIYGVWOHIUISGF-KRWDZBQOSA-N 0 0 452.628 4.593 20 30 JJEDRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccc(C#N)cc1 ZINC001457196522 1066785345 /nfs/dbraw/zinc/78/53/45/1066785345.db2.gz XNDRGUMLGHGUQT-GOSISDBHSA-N 0 0 454.592 4.561 20 30 JJEDRN CCCc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)nnn1Cc1cccc(Br)c1 ZINC001457196719 1066785481 /nfs/dbraw/zinc/78/54/81/1066785481.db2.gz YKQIMTVDBGSRPU-HNNXBMFYSA-N 0 0 453.340 4.831 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC001457202046 1066787685 /nfs/dbraw/zinc/78/76/85/1066787685.db2.gz QPJRAEAJUVDMEZ-OAQYLSRUSA-N 0 0 457.505 4.914 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2ccc(OC(C)(C)C)nc2)cs1 ZINC001492666255 1066790924 /nfs/dbraw/zinc/79/09/24/1066790924.db2.gz MTCYZZTUTWFMOL-UHFFFAOYSA-N 0 0 487.633 4.763 20 30 JJEDRN Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CC(C)(C)c2cccc(F)c2)cs1 ZINC001492669625 1066798731 /nfs/dbraw/zinc/79/87/31/1066798731.db2.gz FBZZIJGSBYAIES-UHFFFAOYSA-N 0 0 452.603 4.881 20 30 JJEDRN Cc1nc(Cc2nnc(N(CCC#N)CCC(C)C)n2Cc2nnc(C(C)(C)C)s2)cs1 ZINC001492670302 1066799619 /nfs/dbraw/zinc/79/96/19/1066799619.db2.gz RQRKUEUDVGYHOM-UHFFFAOYSA-N 0 0 472.688 4.597 20 30 JJEDRN CCOC(=O)c1sc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)nc1C ZINC001457287253 1066804586 /nfs/dbraw/zinc/80/45/86/1066804586.db2.gz FEBCQIKPQRKZRF-UHFFFAOYSA-N 0 0 455.923 4.876 20 30 JJEDRN O=C(N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cc(F)c(C(F)(F)F)cc1F ZINC001457326109 1066810907 /nfs/dbraw/zinc/81/09/07/1066810907.db2.gz OBMVGHKIKLOSBJ-SNVBAGLBSA-N 0 0 452.301 4.538 20 30 JJEDRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001447490048 1066814574 /nfs/dbraw/zinc/81/45/74/1066814574.db2.gz XHIKYDDEOKJJSV-AEFFLSMTSA-N 0 0 456.612 4.520 20 30 JJEDRN C=CC[C@H](NC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C)C(=O)OCC ZINC001447552286 1066821026 /nfs/dbraw/zinc/82/10/26/1066821026.db2.gz OZDZVULQIHVEIG-RDJZCZTQSA-N 0 0 459.370 4.525 20 30 JJEDRN N#CCC1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001447584331 1066825944 /nfs/dbraw/zinc/82/59/44/1066825944.db2.gz NEJMXDGZXSZBKJ-UHFFFAOYSA-N 0 0 452.363 4.560 20 30 JJEDRN Cc1nc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(C)(C#N)CC2)cs1 ZINC001492687817 1066833917 /nfs/dbraw/zinc/83/39/17/1066833917.db2.gz RIRPVGQMDJCLAZ-UHFFFAOYSA-N 0 0 458.538 4.684 20 30 JJEDRN Cc1nc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@](C)(C#N)C2)cs1 ZINC001492689051 1066835047 /nfs/dbraw/zinc/83/50/47/1066835047.db2.gz MXHFSSDMJVQJPZ-CLOONOSVSA-N 0 0 499.685 4.530 20 30 JJEDRN Cc1ccc(-n2ncc(NC(=O)COc3cccc(Br)c3C#N)c2C(C)C)cc1 ZINC001447653893 1066836748 /nfs/dbraw/zinc/83/67/48/1066836748.db2.gz ORYBHMWPWAABEF-UHFFFAOYSA-N 0 0 453.340 4.956 20 30 JJEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2c(Cl)ncnc2-n2cccn2)c1 ZINC001457529377 1066852926 /nfs/dbraw/zinc/85/29/26/1066852926.db2.gz HSVFUABFRJEYDY-UHFFFAOYSA-N 0 0 451.273 4.885 20 30 JJEDRN CC[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457538807 1066855014 /nfs/dbraw/zinc/85/50/14/1066855014.db2.gz IPDSIOYEWJDNAW-KAYWLYCHSA-N 0 0 455.558 4.760 20 30 JJEDRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 ZINC001492705499 1066865443 /nfs/dbraw/zinc/86/54/43/1066865443.db2.gz HWBMNLCOIPJGHD-IBGZPJMESA-N 0 0 465.577 4.673 20 30 JJEDRN N#Cc1cc(Cl)c(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c(Cl)c1 ZINC001447851866 1066870225 /nfs/dbraw/zinc/87/02/25/1066870225.db2.gz CKHCMDQKUCETLS-MRXNPFEDSA-N 0 0 458.114 4.980 20 30 JJEDRN C#CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC001447862887 1066871013 /nfs/dbraw/zinc/87/10/13/1066871013.db2.gz CDTACKSSGWQJDA-UHFFFAOYSA-N 0 0 458.518 4.816 20 30 JJEDRN Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1csc(Br)c1 ZINC001492707733 1066871471 /nfs/dbraw/zinc/87/14/71/1066871471.db2.gz GLBDUSRFZNUHLL-UHFFFAOYSA-N 0 0 496.438 4.872 20 30 JJEDRN C=C(C)[C@@H](NC(=O)CCN1C(=S)N=NC1c1ccc(OCC)cc1)c1ccc(F)c(F)c1 ZINC001447972700 1066886421 /nfs/dbraw/zinc/88/64/21/1066886421.db2.gz MVCLTAUWQUMGEG-OAQYLSRUSA-N 0 0 458.534 4.734 20 30 JJEDRN N#Cc1c(F)cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)cc1F ZINC001447979919 1066887280 /nfs/dbraw/zinc/88/72/80/1066887280.db2.gz FSBLYXPCRYGERU-JOCHJYFZSA-N 0 0 458.411 4.814 20 30 JJEDRN N#Cc1c(F)cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)cc1F ZINC001447979931 1066887389 /nfs/dbraw/zinc/88/73/89/1066887389.db2.gz FSBLYXPCRYGERU-QFIPXVFZSA-N 0 0 458.411 4.814 20 30 JJEDRN Cc1nn(C)c(C)c1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(CCC#N)CCC(C)C ZINC001492722856 1066893915 /nfs/dbraw/zinc/89/39/15/1066893915.db2.gz SAZROYSNLJNPHL-UHFFFAOYSA-N 0 0 458.614 4.515 20 30 JJEDRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001492730037 1066900468 /nfs/dbraw/zinc/90/04/68/1066900468.db2.gz OTLJCFJGAAJCEE-IGKIAQTJSA-N 0 0 475.641 4.659 20 30 JJEDRN CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1 ZINC001448128458 1066903235 /nfs/dbraw/zinc/90/32/35/1066903235.db2.gz YSQNRKGRXHDZTC-UHFFFAOYSA-N 0 0 457.571 4.855 20 30 JJEDRN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001457726124 1066905282 /nfs/dbraw/zinc/90/52/82/1066905282.db2.gz MAKLCUVJHIXLTN-NRFANRHFSA-N 0 0 458.305 4.732 20 30 JJEDRN Cc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1NC(=O)N(C)C ZINC001448186625 1066908056 /nfs/dbraw/zinc/90/80/56/1066908056.db2.gz FVWGCMFOUAKURL-UHFFFAOYSA-N 0 0 453.974 4.859 20 30 JJEDRN N[C@@](C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)(c1cccc(F)c1)C(F)(F)F ZINC001457740776 1066908151 /nfs/dbraw/zinc/90/81/51/1066908151.db2.gz BZEHKNSMDXMHHI-GOSISDBHSA-N 0 0 452.345 4.548 20 30 JJEDRN N#CCOc1ccc(CC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 ZINC001457745997 1066909890 /nfs/dbraw/zinc/90/98/90/1066909890.db2.gz FUZHIEHMHDKZOE-HSZRJFAPSA-N 0 0 453.311 4.939 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)C3)cc1C#N ZINC001546005318 1066920790 /nfs/dbraw/zinc/92/07/90/1066920790.db2.gz ZXBFZCYYOBAXNI-UHFFFAOYSA-N 0 0 450.495 4.630 20 30 JJEDRN C=C(C)COCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 ZINC001457813271 1066926297 /nfs/dbraw/zinc/92/62/97/1066926297.db2.gz RHMUZVZQWAAULR-UHFFFAOYSA-N 0 0 454.954 4.552 20 30 JJEDRN Cc1cc(C)n(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@](C)(C#N)C2)n1 ZINC001492760579 1066932694 /nfs/dbraw/zinc/93/26/94/1066932694.db2.gz KGABZENXYOFUBU-XMMPIXPASA-N 0 0 469.540 4.580 20 30 JJEDRN C=CC[C@@]1(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CCCN1C(=O)OC(C)(C)C ZINC001457879363 1066934855 /nfs/dbraw/zinc/93/48/55/1066934855.db2.gz UJHUMGNSQFXDJN-GYCJOSAFSA-N 0 0 458.534 4.707 20 30 JJEDRN Cc1cccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1NC(=O)c1ccccc1F ZINC001457911992 1066940533 /nfs/dbraw/zinc/94/05/33/1066940533.db2.gz PYUXFPXUUOSSCM-OAQYLSRUSA-N 0 0 456.521 4.609 20 30 JJEDRN O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC001457934622 1066943371 /nfs/dbraw/zinc/94/33/71/1066943371.db2.gz OSCZNDZPIPBODE-UHFFFAOYSA-N 0 0 452.355 4.559 20 30 JJEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001457952324 1066947187 /nfs/dbraw/zinc/94/71/87/1066947187.db2.gz PXPROGWYJAYKFN-HAODZGMZSA-N 0 0 470.404 4.591 20 30 JJEDRN C=CC[C@@H]1N(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CCCC1(C)C ZINC001448674994 1066949176 /nfs/dbraw/zinc/94/91/76/1066949176.db2.gz QZCIHYNHLLVAHX-SFTDATJTSA-N 0 0 458.599 4.607 20 30 JJEDRN CC(C)(C)c1ccc(C2(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCCC2)cc1 ZINC001546009218 1066954282 /nfs/dbraw/zinc/95/42/82/1066954282.db2.gz ISCJTGCZRJKQDR-UHFFFAOYSA-N 0 0 456.583 4.662 20 30 JJEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2-c2ccccc2Cl)c1 ZINC001448756420 1066955688 /nfs/dbraw/zinc/95/56/88/1066955688.db2.gz NYDRSYUROKKCHM-UHFFFAOYSA-N 0 0 459.354 4.824 20 30 JJEDRN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448828167 1066960272 /nfs/dbraw/zinc/96/02/72/1066960272.db2.gz KTEXEJZBKIWWHA-BEFAXECRSA-N 0 0 457.024 4.839 20 30 JJEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC001448832444 1066960853 /nfs/dbraw/zinc/96/08/53/1066960853.db2.gz QANPDHAMEFUMBI-GOSISDBHSA-N 0 0 453.167 4.779 20 30 JJEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)/C=C/c3cccc(-c4ccc(Cl)cc4)c3)C2=O)cc1 ZINC001448839054 1066961669 /nfs/dbraw/zinc/96/16/69/1066961669.db2.gz GTOWTMQLNJWGEJ-BPWUHNBSSA-N 0 0 455.945 4.809 20 30 JJEDRN CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C ZINC001546010304 1066967475 /nfs/dbraw/zinc/96/74/75/1066967475.db2.gz JQILBYVPHNAKMP-ZBLYBZFDSA-N 0 0 496.656 4.907 20 30 JJEDRN CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C ZINC001546010301 1066967487 /nfs/dbraw/zinc/96/74/87/1066967487.db2.gz JQILBYVPHNAKMP-IDISGSTGSA-N 0 0 496.656 4.907 20 30 JJEDRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C)(C#N)CC1 ZINC001545706645 1066968371 /nfs/dbraw/zinc/96/83/71/1066968371.db2.gz VWTGPLWAUGYPHB-OAQYLSRUSA-N 0 0 480.657 4.724 20 30 JJEDRN CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1csc(Br)c1)OC ZINC001546010641 1066972681 /nfs/dbraw/zinc/97/26/81/1066972681.db2.gz OZKNBHMZEMJBFN-KRWDZBQOSA-N 0 0 490.427 4.614 20 30 JJEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1nc2c(cccc2Br)s1 ZINC001458095144 1066973722 /nfs/dbraw/zinc/97/37/22/1066973722.db2.gz JXTDSWXECHZHNB-UHFFFAOYSA-N 0 0 453.369 4.743 20 30 JJEDRN Cn1ccnc1C(=O)c1ccc(Nc2cccc(OCc3cccc(C#N)c3)c2)c([N+](=O)[O-])c1 ZINC001458109634 1066978618 /nfs/dbraw/zinc/97/86/18/1066978618.db2.gz LDXOPNUPLOKHPU-UHFFFAOYSA-N 0 0 453.458 4.754 20 30 JJEDRN C=C[C@@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001545727153 1066984305 /nfs/dbraw/zinc/98/43/05/1066984305.db2.gz GNIMXTCOHVGYJZ-VOIUYBSRSA-N 0 0 458.480 4.881 20 30 JJEDRN C=CCC[C@H](NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C)c1ccccc1 ZINC001458137391 1066985662 /nfs/dbraw/zinc/98/56/62/1066985662.db2.gz XOTRONPEJHXTPU-NRFANRHFSA-N 0 0 453.587 4.596 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1C#N ZINC001458154278 1066990172 /nfs/dbraw/zinc/99/01/72/1066990172.db2.gz IPVKKKBRDOQBAP-UHFFFAOYSA-N 0 0 459.550 4.868 20 30 JJEDRN N#Cc1cnn(-c2ccccc2NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1N ZINC001449228729 1066991432 /nfs/dbraw/zinc/99/14/32/1066991432.db2.gz KYUGHSIDPKFEDW-UHFFFAOYSA-N 0 0 456.487 4.638 20 30 JJEDRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001458172412 1066995943 /nfs/dbraw/zinc/99/59/43/1066995943.db2.gz QEMIRFKXAZQNIA-UHFFFAOYSA-N 0 0 457.874 4.999 20 30 JJEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1SCc1occc1C(=O)OC ZINC001449307301 1066997433 /nfs/dbraw/zinc/99/74/33/1066997433.db2.gz BXLIRRNJIDOLKQ-UHFFFAOYSA-N 0 0 455.532 4.662 20 30 JJEDRN C#CCCOc1ccc(C(=O)N(CC(=O)OCC)[C@H](C)c2cccc(Br)c2)cc1 ZINC001458200656 1067002248 /nfs/dbraw/zinc/00/22/48/1067002248.db2.gz GZMFCHZSCSEEOZ-QGZVFWFLSA-N 0 0 458.352 4.618 20 30 JJEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001458222638 1067006785 /nfs/dbraw/zinc/00/67/85/1067006785.db2.gz KGBFZNDVYCQBLY-NSHDSACASA-N 0 0 450.852 4.515 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545741449 1067007788 /nfs/dbraw/zinc/00/77/88/1067007788.db2.gz QNZFKDPZOFIKAP-IIBYNOLFSA-N 0 0 478.519 4.980 20 30 JJEDRN CC[C@H](c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1csc(COC)n1)c1ccccc1 ZINC001545746585 1067014919 /nfs/dbraw/zinc/01/49/19/1067014919.db2.gz RFNDZGWEOAXPPJ-GBXCKJPGSA-N 0 0 450.612 4.601 20 30 JJEDRN CC[C@H](c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1csc(COC)n1)c1ccccc1 ZINC001545746587 1067015065 /nfs/dbraw/zinc/01/50/65/1067015065.db2.gz RFNDZGWEOAXPPJ-RDPSFJRHSA-N 0 0 450.612 4.601 20 30 JJEDRN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001449643124 1067018778 /nfs/dbraw/zinc/01/87/78/1067018778.db2.gz ZFHUTLABYGHDDU-ZDUSSCGKSA-N 0 0 456.167 4.517 20 30 JJEDRN N#CCc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC001449722527 1067023347 /nfs/dbraw/zinc/02/33/47/1067023347.db2.gz AUBXDKGMWVVCHB-UHFFFAOYSA-N 0 0 459.449 4.825 20 30 JJEDRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC001546017079 1067026041 /nfs/dbraw/zinc/02/60/41/1067026041.db2.gz OJYHDNCGVSSSSA-KKSJDHSTSA-N 0 0 482.604 4.685 20 30 JJEDRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001458313936 1067027386 /nfs/dbraw/zinc/02/73/86/1067027386.db2.gz FVKBTWHSDNBMNX-GDBMZVCRSA-N 0 0 452.301 4.896 20 30 JJEDRN C#C[C@](C)(CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC001449785667 1067028303 /nfs/dbraw/zinc/02/83/03/1067028303.db2.gz IQYFWINLOIESRO-LJQANCHMSA-N 0 0 459.782 4.979 20 30 JJEDRN C[C@@H](CCc1ccc(I)cc1)Nc1ncc(Br)cc1C#N ZINC001458359009 1067041622 /nfs/dbraw/zinc/04/16/22/1067041622.db2.gz XERSNYIXQFCLMM-NSHDSACASA-N 0 0 456.125 4.754 20 30 JJEDRN CCNc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC001545760201 1067043124 /nfs/dbraw/zinc/04/31/24/1067043124.db2.gz XNADBILBNGALTH-UHFFFAOYSA-N 0 0 453.296 4.850 20 30 JJEDRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC001450132427 1067051890 /nfs/dbraw/zinc/05/18/90/1067051890.db2.gz CVQMJKQRYJHEPD-IIBYNOLFSA-N 0 0 459.468 4.674 20 30 JJEDRN Cc1cc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)nn1-c1cccc(C#N)c1 ZINC001458402159 1067053314 /nfs/dbraw/zinc/05/33/14/1067053314.db2.gz BFWVQJGJKXPQEY-GOSISDBHSA-N 0 0 450.367 4.687 20 30 JJEDRN C[C@H]1CN(C(=O)Cn2nc(C(F)F)cc2C(F)F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450158605 1067056077 /nfs/dbraw/zinc/05/60/77/1067056077.db2.gz XSDCDBGKDNFSLV-BONVTDFDSA-N 0 0 453.358 4.766 20 30 JJEDRN Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)cc12 ZINC001458438375 1067060354 /nfs/dbraw/zinc/06/03/54/1067060354.db2.gz HATRORCTYVLZNY-FQEVSTJZSA-N 0 0 451.408 4.622 20 30 JJEDRN CN(C(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1)c1ccccc1 ZINC001458441159 1067061345 /nfs/dbraw/zinc/06/13/45/1067061345.db2.gz UQVSQRJIAQZATB-OAQYLSRUSA-N 0 0 453.420 4.856 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)OC ZINC001545772696 1067061420 /nfs/dbraw/zinc/06/14/20/1067061420.db2.gz JGQFKBGFOFRFKP-UHFFFAOYSA-N 0 0 492.668 4.687 20 30 JJEDRN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC001458447571 1067063694 /nfs/dbraw/zinc/06/36/94/1067063694.db2.gz MODOMUGLDGFFHZ-GOSISDBHSA-N 0 0 457.353 4.736 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545775484 1067068654 /nfs/dbraw/zinc/06/86/54/1067068654.db2.gz AAMZHABQZYXMEJ-RTBURBONSA-N 0 0 482.629 4.514 20 30 JJEDRN N#C[C@@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1cccc(Cl)c1Cl ZINC001458504402 1067077151 /nfs/dbraw/zinc/07/71/51/1067077151.db2.gz CVYNBRRBKOHWNV-MRXNPFEDSA-N 0 0 450.123 4.936 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC001458505497 1067077479 /nfs/dbraw/zinc/07/74/79/1067077479.db2.gz KFIKYYPFIVBKOH-YJBOKZPZSA-N 0 0 450.322 4.802 20 30 JJEDRN N#C[C@@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1cccc(Cl)c1Cl ZINC001458506102 1067077945 /nfs/dbraw/zinc/07/79/45/1067077945.db2.gz OIWAVBRWYKQTGJ-BFUOFWGJSA-N 0 0 452.750 4.957 20 30 JJEDRN COCc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1-c1ccccc1 ZINC001458517979 1067079485 /nfs/dbraw/zinc/07/94/85/1067079485.db2.gz NRKWYRANWZHWNL-RUZDIDTESA-N 0 0 452.514 4.592 20 30 JJEDRN Cc1ccc(Br)c(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC001458522208 1067079906 /nfs/dbraw/zinc/07/99/06/1067079906.db2.gz MULCWYPDRBYHJY-UHFFFAOYSA-N 0 0 455.312 4.732 20 30 JJEDRN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC001458550564 1067086539 /nfs/dbraw/zinc/08/65/39/1067086539.db2.gz ZYSCKXXBIKUCOK-UHFFFAOYSA-N 0 0 455.514 4.578 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001458592083 1067091749 /nfs/dbraw/zinc/09/17/49/1067091749.db2.gz WPBCEVBVQISKPH-KRWDZBQOSA-N 0 0 456.823 4.598 20 30 JJEDRN CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1)SC ZINC001545794469 1067092579 /nfs/dbraw/zinc/09/25/79/1067092579.db2.gz DQGLGZYDRZWOIU-NRFANRHFSA-N 0 0 457.644 4.512 20 30 JJEDRN N#Cc1cc(Br)ccc1C(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001458607381 1067093880 /nfs/dbraw/zinc/09/38/80/1067093880.db2.gz NIZXAJAQPUUCSD-UHFFFAOYSA-N 0 0 452.095 4.565 20 30 JJEDRN N#C[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1c(Cl)cccc1Cl ZINC001458613063 1067095760 /nfs/dbraw/zinc/09/57/60/1067095760.db2.gz HKWVGADMMXOODH-FQEVSTJZSA-N 0 0 459.354 4.962 20 30 JJEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(Br)cnc2Br)cc1 ZINC001458616180 1067096187 /nfs/dbraw/zinc/09/61/87/1067096187.db2.gz ABEIJIADCFJVKK-OAHLLOKOSA-N 0 0 451.162 4.899 20 30 JJEDRN N#C[C@@H](NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001458616350 1067096603 /nfs/dbraw/zinc/09/66/03/1067096603.db2.gz BYIMBAULYVVDCQ-OAQYLSRUSA-N 0 0 459.354 4.962 20 30 JJEDRN COc1cccc([C@@H](C#N)NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c1OC ZINC001458618678 1067096719 /nfs/dbraw/zinc/09/67/19/1067096719.db2.gz FJABEIMNUMWVHY-QGZVFWFLSA-N 0 0 457.502 4.764 20 30 JJEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 ZINC001458624572 1067097965 /nfs/dbraw/zinc/09/79/65/1067097965.db2.gz LVSJNUPLRIZYNH-OAQYLSRUSA-N 0 0 456.571 4.804 20 30 JJEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC001458628787 1067098649 /nfs/dbraw/zinc/09/86/49/1067098649.db2.gz SRNSOFWCWDNVJF-NRPPHEFGSA-N 0 0 452.518 4.610 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)OC ZINC001545798294 1067099093 /nfs/dbraw/zinc/09/90/93/1067099093.db2.gz IQLAIRPNUZCCPY-XMSQKQJNSA-N 0 0 492.590 4.731 20 30 JJEDRN CCc1cc(N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc(-c2ccncc2)n1 ZINC001458665620 1067103915 /nfs/dbraw/zinc/10/39/15/1067103915.db2.gz KTQZVIADNQZGEE-STQMWFEESA-N 0 0 452.349 4.708 20 30 JJEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C)(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC001450742633 1067114393 /nfs/dbraw/zinc/11/43/93/1067114393.db2.gz NNGFIRAGEHJINH-UHFFFAOYSA-N 0 0 453.543 4.669 20 30 JJEDRN C=CCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001458736512 1067125590 /nfs/dbraw/zinc/12/55/90/1067125590.db2.gz RVQIHAIBGZGGCH-ZDUSSCGKSA-N 0 0 457.577 4.978 20 30 JJEDRN C#C[C@@H](NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(Cl)cc1 ZINC001450846699 1067131071 /nfs/dbraw/zinc/13/10/71/1067131071.db2.gz JZWSFASIYPCACS-MRXNPFEDSA-N 0 0 458.008 4.653 20 30 JJEDRN C=CCn1c(SCC(=O)Cc2cccc(Br)c2)nnc1-c1ccccc1OC ZINC001458777422 1067142302 /nfs/dbraw/zinc/14/23/02/1067142302.db2.gz UDHCHMOJZQZVMK-UHFFFAOYSA-N 0 0 458.381 4.806 20 30 JJEDRN C=CCn1c(SCc2nc(-c3cc(F)c(F)c(F)c3)no2)nnc1-c1ccc(OC)cc1 ZINC001458778740 1067142433 /nfs/dbraw/zinc/14/24/33/1067142433.db2.gz XAOVKPBHGOPPEK-UHFFFAOYSA-N 0 0 459.453 4.899 20 30 JJEDRN C=CCn1c(S[C@@H](C(=O)OC)c2cccc(C(=O)OC)c2)nnc1-c1ccc(Cl)cc1 ZINC001458783313 1067145188 /nfs/dbraw/zinc/14/51/88/1067145188.db2.gz VSFUUEPGEYBWIY-GOSISDBHSA-N 0 0 457.939 4.578 20 30 JJEDRN C=CCn1c(S[C@H](C(=O)N2CCSc3ccccc32)C(C)C)nc2ccccc2c1=O ZINC001458796200 1067149939 /nfs/dbraw/zinc/14/99/39/1067149939.db2.gz MYWRZOBXSMYAAJ-NRFANRHFSA-N 0 0 451.617 4.838 20 30 JJEDRN COc1cccc([C@@H](OC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c2ccncc2)c1 ZINC001458807328 1067151359 /nfs/dbraw/zinc/15/13/59/1067151359.db2.gz HFFLRVWBAPMYBS-YADHBBJMSA-N 0 0 453.539 4.700 20 30 JJEDRN CCC(CC)c1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)on1 ZINC001545821536 1067161670 /nfs/dbraw/zinc/16/16/70/1067161670.db2.gz FYHFOWSUYJCPLC-IIBYNOLFSA-N 0 0 484.988 4.740 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001545822485 1067164289 /nfs/dbraw/zinc/16/42/89/1067164289.db2.gz FJMDFOAPWPEEJW-UHFFFAOYSA-N 0 0 452.514 4.619 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)C[C@H]1c1cccc(F)c1 ZINC001451394236 1067164382 /nfs/dbraw/zinc/16/43/82/1067164382.db2.gz VKZSLAMNXWFIFT-LEWJYISDSA-N 0 0 455.555 4.574 20 30 JJEDRN CCC(CC)c1cc(Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@H](C)CC#N)on1 ZINC001545823781 1067168209 /nfs/dbraw/zinc/16/82/09/1067168209.db2.gz YQVIMJCOVZONTL-GOSISDBHSA-N 0 0 458.570 4.809 20 30 JJEDRN CCC(CC)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)on1 ZINC001545825019 1067170558 /nfs/dbraw/zinc/17/05/58/1067170558.db2.gz PXVLUFUKFWEOPK-AREMUKBSSA-N 0 0 473.581 4.799 20 30 JJEDRN N#Cc1ccc(CC(=O)CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC001458861217 1067176812 /nfs/dbraw/zinc/17/68/12/1067176812.db2.gz WAQFYUVHVACJMA-UHFFFAOYSA-N 0 0 450.467 4.956 20 30 JJEDRN C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O ZINC001458871437 1067180865 /nfs/dbraw/zinc/18/08/65/1067180865.db2.gz HQUPMRMEMGSJHP-SFHVURJKSA-N 0 0 453.123 4.595 20 30 JJEDRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)ccc2C)c1 ZINC001451655730 1067183759 /nfs/dbraw/zinc/18/37/59/1067183759.db2.gz UMGDEMMDFQCXRJ-XMMPIXPASA-N 0 0 459.571 4.783 20 30 JJEDRN CC(C)c1ccc(-c2nc(CC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cs2)cc1 ZINC001458878508 1067184306 /nfs/dbraw/zinc/18/43/06/1067184306.db2.gz FMHLOOAGBRBETM-QHCPKHFHSA-N 0 0 458.587 4.659 20 30 JJEDRN FC(F)(F)c1ccc(C#CCSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)cc1 ZINC001458891471 1067187771 /nfs/dbraw/zinc/18/77/71/1067187771.db2.gz NVYCXZZLSUMGOV-LJQANCHMSA-N 0 0 450.530 4.610 20 30 JJEDRN CCCCCCCCNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F ZINC001545838152 1067191374 /nfs/dbraw/zinc/19/13/74/1067191374.db2.gz DHSOLRKNMCVPNN-UHFFFAOYSA-N 0 0 457.566 4.878 20 30 JJEDRN CC(C)[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)ONC(=O)OC(C)(C)C ZINC001451801063 1067192200 /nfs/dbraw/zinc/19/22/00/1067192200.db2.gz NLFYAZNSUPVOND-FQEVSTJZSA-N 0 0 455.580 4.920 20 30 JJEDRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001545842905 1067195081 /nfs/dbraw/zinc/19/50/81/1067195081.db2.gz LEWYPTSWRLYPGW-IRXDYDNUSA-N 0 0 452.517 4.964 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451969302 1067201122 /nfs/dbraw/zinc/20/11/22/1067201122.db2.gz GFYKEFQCGAEGJP-ZTFGCOKTSA-N 0 0 453.505 4.885 20 30 JJEDRN C=CCn1c(SCC(=O)N(c2ccccc2)[C@@H]2CCOC2)nnc1-c1ccc(Cl)cc1 ZINC001458971998 1067213587 /nfs/dbraw/zinc/21/35/87/1067213587.db2.gz FDXYTBUZOXFHCF-HXUWFJFHSA-N 0 0 454.983 4.699 20 30 JJEDRN Cc1nn(C2CCOCC2)c(C)c1C(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001458981999 1067217599 /nfs/dbraw/zinc/21/75/99/1067217599.db2.gz PREAWBQLLZWBMK-UHFFFAOYSA-N 0 0 454.342 4.784 20 30 JJEDRN N#Cc1ccsc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 ZINC001458985329 1067219708 /nfs/dbraw/zinc/21/97/08/1067219708.db2.gz OCNPRCVPBRIUSD-UHFFFAOYSA-N 0 0 452.952 4.647 20 30 JJEDRN N#Cc1ccc(C2(NC(=O)C[C@@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)CCC2)cc1 ZINC001452450543 1067224757 /nfs/dbraw/zinc/22/47/57/1067224757.db2.gz CAFAGDDYHAHKTL-XMMPIXPASA-N 0 0 454.530 4.646 20 30 JJEDRN C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 ZINC001459000807 1067226203 /nfs/dbraw/zinc/22/62/03/1067226203.db2.gz YQTXGXQXDBVLEX-ZDUSSCGKSA-N 0 0 458.931 4.597 20 30 JJEDRN C=CCN(C(=O)c1cccc(-n2nc(C)c(CC)c2C)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001459002502 1067226765 /nfs/dbraw/zinc/22/67/65/1067226765.db2.gz UFLZACZCNLWKOJ-AREMUKBSSA-N 0 0 459.590 4.854 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC001452485303 1067226717 /nfs/dbraw/zinc/22/67/17/1067226717.db2.gz HYOBZQXPNLREFE-SFHVURJKSA-N 0 0 452.274 4.690 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC001452494801 1067228188 /nfs/dbraw/zinc/22/81/88/1067228188.db2.gz FIKIACYWYLBFHV-FQEVSTJZSA-N 0 0 452.986 4.937 20 30 JJEDRN CC(C)[C@@H](NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC001459016955 1067229772 /nfs/dbraw/zinc/22/97/72/1067229772.db2.gz QOFPZJQKQCPTNH-OAQYLSRUSA-N 0 0 450.482 4.954 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC001452503268 1067230022 /nfs/dbraw/zinc/23/00/22/1067230022.db2.gz ZIHMTZRIEZHKQH-HXUWFJFHSA-N 0 0 450.995 4.979 20 30 JJEDRN C#CCSc1ccc(COC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1 ZINC001459025009 1067231172 /nfs/dbraw/zinc/23/11/72/1067231172.db2.gz QDINKJULGIVSEO-UHFFFAOYSA-N 0 0 458.461 4.642 20 30 JJEDRN CCC(O)(CC)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001546041881 1067241378 /nfs/dbraw/zinc/24/13/78/1067241378.db2.gz QUXJXTHVMLENPZ-UHFFFAOYSA-N 0 0 453.631 4.836 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC001452688079 1067243982 /nfs/dbraw/zinc/24/39/82/1067243982.db2.gz VHTKZBNGHKWMQS-FSSWDIPSSA-N 0 0 455.599 4.555 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1 ZINC001459116191 1067253480 /nfs/dbraw/zinc/25/34/80/1067253480.db2.gz BIQKYIFMYJIKFT-UHFFFAOYSA-N 0 0 458.543 4.900 20 30 JJEDRN C=CCn1c(SCC(=O)N2C[C@@H](C)Oc3c(F)cccc32)nnc1-c1ccc(Cl)cc1 ZINC001459118318 1067254638 /nfs/dbraw/zinc/25/46/38/1067254638.db2.gz GLQWRTYILWAEBG-CQSZACIVSA-N 0 0 458.946 4.830 20 30 JJEDRN N#Cc1ccc(CSCC(=O)NCc2cc(Br)ccc2Br)cc1 ZINC001459127488 1067256925 /nfs/dbraw/zinc/25/69/25/1067256925.db2.gz SKNBIVISNIXGHV-UHFFFAOYSA-N 0 0 454.187 4.633 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@](F)(C#N)C2)O1 ZINC001546045030 1067257668 /nfs/dbraw/zinc/25/76/68/1067257668.db2.gz JXLQGDSDNYHIJC-GQUJEBGOSA-N 0 0 455.578 4.825 20 30 JJEDRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC001459136950 1067258563 /nfs/dbraw/zinc/25/85/63/1067258563.db2.gz WCJCTUVYWIIUIB-XMMPIXPASA-N 0 0 453.373 4.906 20 30 JJEDRN CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001452947448 1067266718 /nfs/dbraw/zinc/26/67/18/1067266718.db2.gz LMQSTVYFQIBMNC-QFIPXVFZSA-N 0 0 451.320 4.919 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(CCC#N)CCC(C)C)O1 ZINC001546047599 1067276585 /nfs/dbraw/zinc/27/65/85/1067276585.db2.gz AWZDQZYOXNHYNE-HFZDXXHNSA-N 0 0 467.614 4.830 20 30 JJEDRN C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 ZINC001459260864 1067279243 /nfs/dbraw/zinc/27/92/43/1067279243.db2.gz DQADCYUEKTVOKL-UHFFFAOYSA-N 0 0 454.324 4.897 20 30 JJEDRN C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)cc1 ZINC001459262487 1067279404 /nfs/dbraw/zinc/27/94/04/1067279404.db2.gz IHNBFDSWUOHDFY-LEWJYISDSA-N 0 0 454.523 4.898 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)O1 ZINC001546048119 1067286000 /nfs/dbraw/zinc/28/60/00/1067286000.db2.gz IJFUPJRZTZYIII-TXTKFYIRSA-N 0 0 477.531 4.712 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)O1 ZINC001546048188 1067286486 /nfs/dbraw/zinc/28/64/86/1067286486.db2.gz JEQBOTHEHUDYRB-ZVUIFXONSA-N 0 0 494.640 4.515 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[C@@](F)(C#N)C2)O1 ZINC001546048367 1067287829 /nfs/dbraw/zinc/28/78/29/1067287829.db2.gz LFUUJKIIWWNUOT-NPFVIJTESA-N 0 0 492.393 4.506 20 30 JJEDRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)O1 ZINC001546048502 1067288869 /nfs/dbraw/zinc/28/88/69/1067288869.db2.gz NADYGBMHMLDNJQ-XXBNENTESA-N 0 0 487.530 4.553 20 30 JJEDRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](CC#N)C3)ccc2C)cc1 ZINC001453288881 1067294555 /nfs/dbraw/zinc/29/45/55/1067294555.db2.gz PVKYSKOSUWICLG-NRFANRHFSA-N 0 0 453.608 4.904 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(C#N)CC2)O1 ZINC001546049299 1067295247 /nfs/dbraw/zinc/29/52/47/1067295247.db2.gz XZXHNTWPNGHGAF-DENIHFKCSA-N 0 0 458.404 4.795 20 30 JJEDRN N#CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)C1 ZINC001453302481 1067295800 /nfs/dbraw/zinc/29/58/00/1067295800.db2.gz FPYXELVWNKNZOR-CQSZACIVSA-N 0 0 452.363 4.560 20 30 JJEDRN C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC001453321880 1067297155 /nfs/dbraw/zinc/29/71/55/1067297155.db2.gz GQGBXSCSPMWBDO-SFHVURJKSA-N 0 0 453.542 4.837 20 30 JJEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)Cc2csc(Br)c2)c1C#N ZINC001459348012 1067299464 /nfs/dbraw/zinc/29/94/64/1067299464.db2.gz HAGKNIQQJQQFRF-UHFFFAOYSA-N 0 0 457.397 4.860 20 30 JJEDRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccccc2CC#N)[C@H](c2ccccc2Cl)C1 ZINC001459460054 1067329225 /nfs/dbraw/zinc/32/92/25/1067329225.db2.gz AMFMDAQOUKJTPQ-QFIPXVFZSA-N 0 0 453.970 4.769 20 30 JJEDRN C#CCN(Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001459505166 1067340134 /nfs/dbraw/zinc/34/01/34/1067340134.db2.gz BOZYGJMQLBXZOD-KRWDZBQOSA-N 0 0 455.274 4.744 20 30 JJEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001459547031 1067348649 /nfs/dbraw/zinc/34/86/49/1067348649.db2.gz XUOHFQRPNMUWKB-WMZOPIPTSA-N 0 0 453.583 4.950 20 30 JJEDRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001459589620 1067358625 /nfs/dbraw/zinc/35/86/25/1067358625.db2.gz FMKVQCUPDMVNKH-LJQANCHMSA-N 0 0 455.514 4.927 20 30 JJEDRN N#Cc1cccc(OCCCCC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC001459613987 1067364506 /nfs/dbraw/zinc/36/45/06/1067364506.db2.gz DTZBYZLYHZJDIV-UHFFFAOYSA-N 0 0 458.562 4.543 20 30 JJEDRN Cc1ccc(OCCCC(=O)Oc2ccc(C#N)cc2I)c(Cl)c1 ZINC001459654328 1067372724 /nfs/dbraw/zinc/37/27/24/1067372724.db2.gz 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CC[C@@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1nc(C)cs1 ZINC001459727817 1067397530 /nfs/dbraw/zinc/39/75/30/1067397530.db2.gz NPMQEWINOJUDDA-XMMPIXPASA-N 0 0 451.596 4.593 20 30 JJEDRN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001459747759 1067404413 /nfs/dbraw/zinc/40/44/13/1067404413.db2.gz ILWRHCPPCOFXJD-GOSISDBHSA-N 0 0 450.292 4.583 20 30 JJEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c1C#N ZINC001459790955 1067423882 /nfs/dbraw/zinc/42/38/82/1067423882.db2.gz OABAMDZVKKBENW-HSZRJFAPSA-N 0 0 458.537 4.781 20 30 JJEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001459813696 1067435073 /nfs/dbraw/zinc/43/50/73/1067435073.db2.gz VBZSRMLRLVHWHM-LJQANCHMSA-N 0 0 457.353 4.881 20 30 JJEDRN CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)C1 ZINC001546112122 1067443311 /nfs/dbraw/zinc/44/33/11/1067443311.db2.gz DQWTZRYICYRBIG-UHFFFAOYSA-N 0 0 450.612 4.867 20 30 JJEDRN CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001459851485 1067456703 /nfs/dbraw/zinc/45/67/03/1067456703.db2.gz WSRXSJPWHIKXEA-JOCHJYFZSA-N 0 0 459.933 4.877 20 30 JJEDRN COC(=O)c1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1Br ZINC001459854329 1067458266 /nfs/dbraw/zinc/45/82/66/1067458266.db2.gz YSXWFSQQLNDTDD-UHFFFAOYSA-N 0 0 455.264 4.532 20 30 JJEDRN CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894771 1067477292 /nfs/dbraw/zinc/47/72/92/1067477292.db2.gz XTGDHWAOPZMGPG-MQSCRBSSSA-N 0 0 456.631 4.564 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)O[C@@H](C)c2ccc(C(F)(F)F)nc2)nnc1-c1ccco1 ZINC001459899721 1067479328 /nfs/dbraw/zinc/47/93/28/1067479328.db2.gz PCTJEVYRCBVEKT-ZDUSSCGKSA-N 0 0 452.458 4.925 20 30 JJEDRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC001459909004 1067484572 /nfs/dbraw/zinc/48/45/72/1067484572.db2.gz GJLUZQPGTMTDGH-JOCHJYFZSA-N 0 0 458.562 4.773 20 30 JJEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@H](COCC(C)C)c2ccco2)c1C#N ZINC001459924135 1067493783 /nfs/dbraw/zinc/49/37/83/1067493783.db2.gz JCMUQJPSEHTXOV-JOCHJYFZSA-N 0 0 452.530 4.640 20 30 JJEDRN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001459924826 1067493804 /nfs/dbraw/zinc/49/38/04/1067493804.db2.gz REHIYTVYAZURQS-GOSISDBHSA-N 0 0 456.384 4.628 20 30 JJEDRN N#Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC001459933481 1067497430 /nfs/dbraw/zinc/49/74/30/1067497430.db2.gz MVCDCDAAWCPPGP-LJQANCHMSA-N 0 0 451.477 4.515 20 30 JJEDRN N#Cc1ccc(CN2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC001459933473 1067497479 /nfs/dbraw/zinc/49/74/79/1067497479.db2.gz MVCDCDAAWCPPGP-IBGZPJMESA-N 0 0 451.477 4.515 20 30 JJEDRN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001459935309 1067498556 /nfs/dbraw/zinc/49/85/56/1067498556.db2.gz PIPKZDQWPFJCQS-FNZWTVRRSA-N 0 0 458.537 4.827 20 30 JJEDRN COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC001459977097 1067512862 /nfs/dbraw/zinc/51/28/62/1067512862.db2.gz XHHBPTORKQQKGE-UHFFFAOYSA-N 0 0 452.557 4.515 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001459999799 1067521501 /nfs/dbraw/zinc/52/15/01/1067521501.db2.gz VZZZLKSZPLXBOV-MSOLQXFVSA-N 0 0 455.477 4.740 20 30 JJEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCC(C)(C)c4ccc(Br)cc43)cc2C1=O ZINC001460005695 1067524009 /nfs/dbraw/zinc/52/40/09/1067524009.db2.gz AUOPDJGZDMNJSQ-UHFFFAOYSA-N 0 0 453.336 4.559 20 30 JJEDRN N#Cc1ccc(C2(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)CCCC2)cc1 ZINC001460006597 1067524373 /nfs/dbraw/zinc/52/43/73/1067524373.db2.gz SDSJYRZLXKRSLU-UHFFFAOYSA-N 0 0 454.324 4.626 20 30 JJEDRN Cc1ccc(NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c(S(C)(=O)=O)c1 ZINC001460032751 1067534962 /nfs/dbraw/zinc/53/49/62/1067534962.db2.gz TWTFPRZNNCSVHK-UHFFFAOYSA-N 0 0 457.367 4.940 20 30 JJEDRN CCOc1ccc(N2C[C@@H](C(=O)OCc3ccccc3Oc3ccccc3C#N)CC2=O)cc1 ZINC001460038583 1067536170 /nfs/dbraw/zinc/53/61/70/1067536170.db2.gz UWZRPBGDMFTJDW-NRFANRHFSA-N 0 0 456.498 4.846 20 30 JJEDRN C#Cc1ccc([C@H](OC(=O)c2nn(C)c(C(F)(F)F)c2Br)C(F)(F)F)cc1 ZINC001460037930 1067536218 /nfs/dbraw/zinc/53/62/18/1067536218.db2.gz BQAKKUIUAQQLOH-ZDUSSCGKSA-N 0 0 455.152 4.643 20 30 JJEDRN N#Cc1cc(C(=O)Nc2nc(C(F)(F)F)c(I)s2)ccc1Cl ZINC001460098846 1067554783 /nfs/dbraw/zinc/55/47/83/1067554783.db2.gz JSPJWATVYZGTJT-UHFFFAOYSA-N 0 0 457.602 4.544 20 30 JJEDRN CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001460128997 1067560939 /nfs/dbraw/zinc/56/09/39/1067560939.db2.gz HEXQOIXHEKBZBV-HTAPYJJXSA-N 0 0 455.917 4.880 20 30 JJEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCN(c2cccc(F)c2F)CC1 ZINC001460131812 1067561269 /nfs/dbraw/zinc/56/12/69/1067561269.db2.gz VVQAMQLSGRGJBL-MRXNPFEDSA-N 0 0 458.578 4.706 20 30 JJEDRN C#CCOc1ccc(CNC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 ZINC001460179658 1067572335 /nfs/dbraw/zinc/57/23/35/1067572335.db2.gz JVEFRKUHVIGNRG-UHFFFAOYSA-N 0 0 450.604 4.512 20 30 JJEDRN C#CCOc1ccc(CNC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)cc1 ZINC001460186675 1067574559 /nfs/dbraw/zinc/57/45/59/1067574559.db2.gz FQGDLSSJRLNMMA-QHCPKHFHSA-N 0 0 450.332 4.898 20 30 JJEDRN C#CCOc1ccc(CNC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)cc1 ZINC001460186669 1067574642 /nfs/dbraw/zinc/57/46/42/1067574642.db2.gz FQGDLSSJRLNMMA-HSZRJFAPSA-N 0 0 450.332 4.898 20 30 JJEDRN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCCc3c(F)c(F)cc(F)c32)c1C#N ZINC001460235807 1067587008 /nfs/dbraw/zinc/58/70/08/1067587008.db2.gz WYTUFYFDDQIVIB-UHFFFAOYSA-N 0 0 456.443 4.914 20 30 JJEDRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460335244 1067610420 /nfs/dbraw/zinc/61/04/20/1067610420.db2.gz NHVLLZRBHRQIEM-FQEVSTJZSA-N 0 0 453.608 4.854 20 30 JJEDRN CN(Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C[C@H](O)c1cccc(C#N)c1 ZINC001460359109 1067617718 /nfs/dbraw/zinc/61/77/18/1067617718.db2.gz ZMUCVIVJLOKRHL-IBGZPJMESA-N 0 0 450.951 4.754 20 30 JJEDRN COC(=O)[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(OC)cc1 ZINC001460368967 1067619960 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452.308 4.706 20 30 JJEDRN CC(C)OCc1nc([C@H](C)NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)no1 ZINC001460653503 1067688295 /nfs/dbraw/zinc/68/82/95/1067688295.db2.gz MIWRMWBCSJQBRE-JTQLQIEISA-N 0 0 457.346 4.775 20 30 JJEDRN N#Cc1cccc([C@@H](NCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C(F)(F)F)c1 ZINC001460677822 1067697645 /nfs/dbraw/zinc/69/76/45/1067697645.db2.gz PFEWKTKFURHQNV-XZOQPEGZSA-N 0 0 455.505 4.987 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCC2(F)F)c1 ZINC001460695568 1067703680 /nfs/dbraw/zinc/70/36/80/1067703680.db2.gz KPBSQPIENWEPNX-IBGZPJMESA-N 0 0 454.926 4.639 20 30 JJEDRN C#C[C@H](NC(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC)c1ccc(Cl)cc1F ZINC001460787393 1067723650 /nfs/dbraw/zinc/72/36/50/1067723650.db2.gz LAWWKZDRPIKOQK-KSSFIOAISA-N 0 0 453.988 4.634 20 30 JJEDRN N#Cc1ccc([C@@H]2CN(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCO2)cc1 ZINC001460858308 1067735960 /nfs/dbraw/zinc/73/59/60/1067735960.db2.gz KHMSKWIMQLGZFS-SFHVURJKSA-N 0 0 457.374 4.608 20 30 JJEDRN Cc1cc(Br)cc(C)c1NC(=O)CCCN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001460858284 1067736052 /nfs/dbraw/zinc/73/60/52/1067736052.db2.gz KFFCDLJYAULTBQ-NRFANRHFSA-N 0 0 456.384 4.730 20 30 JJEDRN C[C@]1(Cc2ccc(Cl)s2)CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001460870610 1067739095 /nfs/dbraw/zinc/73/90/95/1067739095.db2.gz JSZWDAWCHILYSZ-OAQYLSRUSA-N 0 0 454.945 4.985 20 30 JJEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC001460885859 1067742743 /nfs/dbraw/zinc/74/27/43/1067742743.db2.gz JTHSTQIFWJKKJI-KRWDZBQOSA-N 0 0 454.665 4.919 20 30 JJEDRN CC(C)(C)C(=O)Cn1cc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)nn1 ZINC001460968048 1067754315 /nfs/dbraw/zinc/75/43/15/1067754315.db2.gz ANMOKIAORQZSMO-UHFFFAOYSA-N 0 0 453.955 4.822 20 30 JJEDRN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001460985156 1067757641 /nfs/dbraw/zinc/75/76/41/1067757641.db2.gz TYLYVMCJOMGQSG-MRXNPFEDSA-N 0 0 457.353 4.559 20 30 JJEDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C#N)c3Br)cc2[N+](=O)[O-])C1 ZINC001461016642 1067762551 /nfs/dbraw/zinc/76/25/51/1067762551.db2.gz UJYAWJYNZVDHMH-ZIAGYGMSSA-N 0 0 457.328 4.964 20 30 JJEDRN COc1cc(CCC(=O)Nc2cccc(C#N)c2Br)ccc1OCC(F)(F)F ZINC001461022568 1067763685 /nfs/dbraw/zinc/76/36/85/1067763685.db2.gz DMVKAYDWDYFXKM-UHFFFAOYSA-N 0 0 457.246 4.842 20 30 JJEDRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc(Br)c(C#N)c1C ZINC001461056024 1067771325 /nfs/dbraw/zinc/77/13/25/1067771325.db2.gz HEHQKSIOHPCDJJ-UHFFFAOYSA-N 0 0 451.346 4.993 20 30 JJEDRN CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H](OC)C(F)(F)F)CCS1 ZINC001546121397 1067776339 /nfs/dbraw/zinc/77/63/39/1067776339.db2.gz WGKXNSSSAJGGRR-LJQANCHMSA-N 0 0 497.587 4.808 20 30 JJEDRN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC001461077604 1067777428 /nfs/dbraw/zinc/77/74/28/1067777428.db2.gz HZBANMDPQVMSNQ-GOSISDBHSA-N 0 0 454.559 4.513 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC001461099106 1067781731 /nfs/dbraw/zinc/78/17/31/1067781731.db2.gz IBKLBIFSKOYIAF-ZFWWWQNUSA-N 0 0 451.365 4.518 20 30 JJEDRN CC(=O)Nc1ccc(C)c(C(=O)Oc2c(Br)cc(C#N)cc2Br)c1 ZINC001461149008 1067789575 /nfs/dbraw/zinc/78/95/75/1067789575.db2.gz MOCSGYOTKPKSTD-UHFFFAOYSA-N 0 0 452.102 4.569 20 30 JJEDRN CP(C)(=O)c1ccc(C(=O)Oc2c(Br)cc(C#N)cc2Br)cc1 ZINC001461149740 1067789835 /nfs/dbraw/zinc/78/98/35/1067789835.db2.gz OCQKETAPUSWPEJ-UHFFFAOYSA-N 0 0 457.058 4.550 20 30 JJEDRN C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461188267 1067795590 /nfs/dbraw/zinc/79/55/90/1067795590.db2.gz ABEJWNAWXMWBCS-TYCQWZJGSA-N 0 0 452.551 4.853 20 30 JJEDRN C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461188259 1067795703 /nfs/dbraw/zinc/79/57/03/1067795703.db2.gz ABEJWNAWXMWBCS-ORYQWCPZSA-N 0 0 452.551 4.853 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Oc2cnn(C(C)C)c2)c1 ZINC001461215398 1067800618 /nfs/dbraw/zinc/80/06/18/1067800618.db2.gz SRMLFKXFAWRODP-UHFFFAOYSA-N 0 0 459.955 4.718 20 30 JJEDRN N#Cc1cccc2c1CN(C(=O)c1cnn(-c3cccc(C(F)(F)F)c3)c1C(F)(F)F)C2 ZINC001461271462 1067815708 /nfs/dbraw/zinc/81/57/08/1067815708.db2.gz XTHLVOFLHPWYDB-UHFFFAOYSA-N 0 0 450.342 4.938 20 30 JJEDRN N#Cc1cccc(C(=O)Nc2ccnc(-c3cccc(Br)c3)n2)c1Br ZINC001461296951 1067821156 /nfs/dbraw/zinc/82/11/56/1067821156.db2.gz OKHDMSYZSLQIIP-UHFFFAOYSA-N 0 0 458.113 4.793 20 30 JJEDRN COc1cc(C(=O)N(C)c2ccc(C#N)nc2)ccc1OCc1ccc(Br)cc1 ZINC001461305403 1067824198 /nfs/dbraw/zinc/82/41/98/1067824198.db2.gz QFRJCBNEGHGVRL-UHFFFAOYSA-N 0 0 452.308 4.580 20 30 JJEDRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001461339889 1067833221 /nfs/dbraw/zinc/83/32/21/1067833221.db2.gz GQEWLHCFYBRTPN-UXHICEINSA-N 0 0 459.587 4.517 20 30 JJEDRN CC(=O)N(c1nc(CNc2ccn(-c3cccc(F)c3C#N)n2)cs1)c1ccc(F)cc1 ZINC001461425293 1067853194 /nfs/dbraw/zinc/85/31/94/1067853194.db2.gz CGDROKMMNDTHHC-UHFFFAOYSA-N 0 0 450.474 4.775 20 30 JJEDRN CCOCCOc1ccc(Br)cc1CNc1ccn(-c2cccc(F)c2C#N)n1 ZINC001461426339 1067853565 /nfs/dbraw/zinc/85/35/65/1067853565.db2.gz OKONPNDSWFNEJE-UHFFFAOYSA-N 0 0 459.319 4.673 20 30 JJEDRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001461427847 1067853604 /nfs/dbraw/zinc/85/36/04/1067853604.db2.gz FNGOWRMHGSZITF-VBKZILBWSA-N 0 0 452.270 4.808 20 30 JJEDRN N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001461442571 1067857337 /nfs/dbraw/zinc/85/73/37/1067857337.db2.gz DUCMJVRQRNRWPQ-UHFFFAOYSA-N 0 0 455.330 4.881 20 30 JJEDRN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001461469576 1067865358 /nfs/dbraw/zinc/86/53/58/1067865358.db2.gz HMMGVJXUUZLLFS-DQMJNTIXSA-N 0 0 465.569 4.785 20 30 JJEDRN C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001461532997 1067882908 /nfs/dbraw/zinc/88/29/08/1067882908.db2.gz XSDUZIQZKBDTGC-HNAYVOBHSA-N 0 0 459.439 4.645 20 30 JJEDRN CN(C)S(=O)(=O)c1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)ccc1Cl ZINC001461557727 1067887581 /nfs/dbraw/zinc/88/75/81/1067887581.db2.gz CGUPBUIJOYNLLH-UHFFFAOYSA-N 0 0 455.967 4.653 20 30 JJEDRN C=CCOc1c(Br)cc(CN[C@H](C)c2ncc(C(=O)OC)s2)cc1OCC ZINC001461591694 1067895978 /nfs/dbraw/zinc/89/59/78/1067895978.db2.gz LOQUAXCWCNLAKE-GFCCVEGCSA-N 0 0 455.374 4.507 20 30 JJEDRN C=CCOCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 ZINC001461638301 1067907355 /nfs/dbraw/zinc/90/73/55/1067907355.db2.gz VSUMFFWRIDWFRO-UHFFFAOYSA-N 0 0 456.546 4.727 20 30 JJEDRN Cc1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001461651183 1067910148 /nfs/dbraw/zinc/91/01/48/1067910148.db2.gz KEPVVUWMDMAYOP-UHFFFAOYSA-N 0 0 455.345 4.795 20 30 JJEDRN O=C(Nc1ccc(F)nn1)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 ZINC001461693883 1067919638 /nfs/dbraw/zinc/91/96/38/1067919638.db2.gz MZSZSGBNDOTRJB-UHFFFAOYSA-N 0 0 459.325 4.580 20 30 JJEDRN CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NCc2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC001461737806 1067928133 /nfs/dbraw/zinc/92/81/33/1067928133.db2.gz QADGYXHERKKKCR-SOYKGTTHSA-N 0 0 455.624 4.995 20 30 JJEDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C#N)c2ccccc2Br)CCCC1 ZINC001461744930 1067929483 /nfs/dbraw/zinc/92/94/83/1067929483.db2.gz SNMMSUTWEVIJEL-HXUWFJFHSA-N 0 0 452.352 4.672 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC001461770929 1067933811 /nfs/dbraw/zinc/93/38/11/1067933811.db2.gz YVXOWRJPFNHZBX-QRVBRYPASA-N 0 0 459.011 4.887 20 30 JJEDRN C#Cc1cccc(NC(=O)CN(C)Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)c1 ZINC001461946860 1067966840 /nfs/dbraw/zinc/96/68/40/1067966840.db2.gz VCSCYXUNGRGXPZ-UHFFFAOYSA-N 0 0 452.967 4.533 20 30 JJEDRN N#Cc1ccc(N2CCN(Cc3cc(Br)ccc3Br)CC2)c(F)c1 ZINC001461957280 1067968809 /nfs/dbraw/zinc/96/88/09/1067968809.db2.gz SQGXSAVVVBWVJY-UHFFFAOYSA-N 0 0 453.153 4.545 20 30 JJEDRN O=C(N[C@@H]1CCCC[C@@H]1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC001462010398 1067980123 /nfs/dbraw/zinc/98/01/23/1067980123.db2.gz KIMQISUDLBDRAK-NWDGAFQWSA-N 0 0 458.765 4.969 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)OCC ZINC001462152741 1068017087 /nfs/dbraw/zinc/01/70/87/1068017087.db2.gz CXCABRZNJXIATH-NRFANRHFSA-N 0 0 458.345 4.997 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)OCC ZINC001462152744 1068017303 /nfs/dbraw/zinc/01/73/03/1068017303.db2.gz CXCABRZNJXIATH-OAQYLSRUSA-N 0 0 458.345 4.997 20 30 JJEDRN C#C[C@@H](NCc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1)c1ccc(Cl)cc1F ZINC001462225749 1068032852 /nfs/dbraw/zinc/03/28/52/1068032852.db2.gz NNFSINPIHZWZBU-HXUWFJFHSA-N 0 0 457.885 4.910 20 30 JJEDRN COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(CC#N)n3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001462420115 1068071009 /nfs/dbraw/zinc/07/10/09/1068071009.db2.gz CKFONCFIGGOICH-BVAGGSTKSA-N 0 0 454.530 4.588 20 30 JJEDRN COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001462470133 1068080776 /nfs/dbraw/zinc/08/07/76/1068080776.db2.gz JZWOUGGIYQOEGP-VWLOTQADSA-N 0 0 450.441 4.533 20 30 JJEDRN C=CCCC[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccccc1 ZINC001462508277 1068087792 /nfs/dbraw/zinc/08/77/92/1068087792.db2.gz ZUTYYRICYHLPHN-FQEVSTJZSA-N 0 0 454.368 4.763 20 30 JJEDRN CC(=O)N(c1nc(CN2CC(F)(F)OC(F)(F)C2)cs1)c1cccc(C(F)(F)F)c1 ZINC001462608258 1068110873 /nfs/dbraw/zinc/11/08/73/1068110873.db2.gz SVANVLKPQLZHMV-UHFFFAOYSA-N 0 0 457.371 4.864 20 30 JJEDRN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001462667371 1068127770 /nfs/dbraw/zinc/12/77/70/1068127770.db2.gz JYPJPSOQOBJGCG-JVXZTZIISA-N 0 0 452.164 4.837 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)NCc1cc(Br)c2ccccc2c1 ZINC001462709031 1068138910 /nfs/dbraw/zinc/13/89/10/1068138910.db2.gz ZINUKLKMZKMJMV-UHFFFAOYSA-N 0 0 453.336 4.958 20 30 JJEDRN C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(C(C)=O)c(F)c2)c1 ZINC001462720135 1068141763 /nfs/dbraw/zinc/14/17/63/1068141763.db2.gz AONLRRPFGCABEF-UHFFFAOYSA-N 0 0 454.475 4.592 20 30 JJEDRN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)S(=O)(=O)c2cc(F)cc(C#N)c2)c1 ZINC001462727495 1068145267 /nfs/dbraw/zinc/14/52/67/1068145267.db2.gz BDAXDJXAXYXIEF-KRWDZBQOSA-N 0 0 451.523 4.608 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)OCc1cc(Br)ccc1Cl ZINC001462729302 1068146000 /nfs/dbraw/zinc/14/60/00/1068146000.db2.gz DFBANOYWIRTRAM-UHFFFAOYSA-N 0 0 459.521 4.859 20 30 JJEDRN Cc1cccc(-c2nc(CC(=O)Nc3ccc(C#N)cc3I)cs2)c1 ZINC001462860574 1068194079 /nfs/dbraw/zinc/19/40/79/1068194079.db2.gz DOBXMFXXHPRDCR-UHFFFAOYSA-N 0 0 459.312 4.776 20 30 JJEDRN N#Cc1ccc(Br)cc1S(=O)(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC001462902224 1068209233 /nfs/dbraw/zinc/20/92/33/1068209233.db2.gz MAHZCJLHTTUWSS-UHFFFAOYSA-N 0 0 453.789 4.764 20 30 JJEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC001462912791 1068212680 /nfs/dbraw/zinc/21/26/80/1068212680.db2.gz OYEKSZLAGDOVKG-JOCHJYFZSA-N 0 0 453.361 4.657 20 30 JJEDRN CC1(C)CCc2sc(NC(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)c(C#N)c21 ZINC001462937163 1068221482 /nfs/dbraw/zinc/22/14/82/1068221482.db2.gz WQBCVQWGIDVEEQ-LBPRGKRZSA-N 0 0 458.381 4.598 20 30 JJEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001462947912 1068225692 /nfs/dbraw/zinc/22/56/92/1068225692.db2.gz JOYANWPAXLYPKE-UHFFFAOYSA-N 0 0 459.287 4.716 20 30 JJEDRN CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001463000166 1068244534 /nfs/dbraw/zinc/24/45/34/1068244534.db2.gz JGOIVFCCEASZJL-UHFFFAOYSA-N 0 0 453.358 4.885 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC001462999423 1068244588 /nfs/dbraw/zinc/24/45/88/1068244588.db2.gz HRIGAZAMPKNNKB-UHFFFAOYSA-N 0 0 457.752 4.685 20 30 JJEDRN COc1cccc(F)c1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001463089847 1068283535 /nfs/dbraw/zinc/28/35/35/1068283535.db2.gz UKYIQKHPTABEGA-UHFFFAOYSA-N 0 0 455.326 4.647 20 30 JJEDRN N#Cc1ccc([C@@H]2CN(C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CCO2)cc1 ZINC001463100248 1068286758 /nfs/dbraw/zinc/28/67/58/1068286758.db2.gz MXXZUCGLBYHMHB-FQEVSTJZSA-N 0 0 457.477 4.843 20 30 JJEDRN CCCOC(=O)c1ccc(S(=O)(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001463108564 1068290081 /nfs/dbraw/zinc/29/00/81/1068290081.db2.gz JVLLMOMAGITRQT-KRWDZBQOSA-N 0 0 450.862 4.786 20 30 JJEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCCc2cccc(NC(=O)CC3CCCCC3)c21 ZINC001463115230 1068292109 /nfs/dbraw/zinc/29/21/09/1068292109.db2.gz VNITYMWFAJXOOH-UHFFFAOYSA-N 0 0 451.592 4.917 20 30 JJEDRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)cc1 ZINC001463146326 1068302023 /nfs/dbraw/zinc/30/20/23/1068302023.db2.gz HUAKVAQHEGIWCK-FTJBHMTQSA-N 0 0 459.571 4.772 20 30 JJEDRN Cn1cc(CCC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001463149567 1068303465 /nfs/dbraw/zinc/30/34/65/1068303465.db2.gz OANYBBKMPQWQPU-ZIAGYGMSSA-N 0 0 454.361 4.740 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC001463189315 1068314536 /nfs/dbraw/zinc/31/45/36/1068314536.db2.gz VQBPZOBBNOQLRP-BBATYDOGSA-N 0 0 455.388 4.789 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC001463189326 1068314626 /nfs/dbraw/zinc/31/46/26/1068314626.db2.gz VQBPZOBBNOQLRP-ZMZPIMSZSA-N 0 0 455.388 4.789 20 30 JJEDRN CCc1ccc([C@@H]2C[C@H](C)CCN2S(=O)(=O)c2cc(Br)c(C#N)cc2F)o1 ZINC001463203942 1068319377 /nfs/dbraw/zinc/31/93/77/1068319377.db2.gz YKUNATGDCULDSP-PXAZEXFGSA-N 0 0 455.349 4.777 20 30 JJEDRN Cn1ccnc1[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(F)cc1F ZINC001463275272 1068341402 /nfs/dbraw/zinc/34/14/02/1068341402.db2.gz KIKVZBWAHWWMQQ-XMMPIXPASA-N 0 0 458.468 4.668 20 30 JJEDRN CCCCCOc1cc(C)ccc1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC001463334143 1068359925 /nfs/dbraw/zinc/35/99/25/1068359925.db2.gz PVEAIZWDKCSHPW-UHFFFAOYSA-N 0 0 451.386 4.677 20 30 JJEDRN C=CCn1c(SCC(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC001463416827 1068391022 /nfs/dbraw/zinc/39/10/22/1068391022.db2.gz DQGFEUUQABZKEH-UXHICEINSA-N 0 0 453.011 4.872 20 30 JJEDRN Cc1cc(Cl)c(C)c(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1Cl ZINC001463550581 1068438905 /nfs/dbraw/zinc/43/89/05/1068438905.db2.gz CKOPDWGPXGXIDB-UHFFFAOYSA-N 0 0 454.379 4.545 20 30 JJEDRN C#Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001463625413 1068472198 /nfs/dbraw/zinc/47/21/98/1068472198.db2.gz KJMDBNVEHSKNSG-UHFFFAOYSA-N 0 0 458.461 4.669 20 30 JJEDRN C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463655607 1068483808 /nfs/dbraw/zinc/48/38/08/1068483808.db2.gz DSAXLVHOSZNAAU-HXUWFJFHSA-N 0 0 457.379 4.962 20 30 JJEDRN CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)c1 ZINC001463752507 1068513181 /nfs/dbraw/zinc/51/31/81/1068513181.db2.gz YGPRVUMOLQHLAZ-UHFFFAOYSA-N 0 0 454.573 4.567 20 30 JJEDRN CCc1oc2ccccc2c1CN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N ZINC001463773622 1068520680 /nfs/dbraw/zinc/52/06/80/1068520680.db2.gz DNUATGCISPLIIU-WYVJCVMXSA-N 0 0 451.567 4.740 20 30 JJEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC001463796819 1068527336 /nfs/dbraw/zinc/52/73/36/1068527336.db2.gz QZQHGYLCUWIFDW-JOCHJYFZSA-N 0 0 458.543 4.769 20 30 JJEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC001463800029 1068529000 /nfs/dbraw/zinc/52/90/00/1068529000.db2.gz ISGPPWNTVRQBOL-JOCHJYFZSA-N 0 0 450.995 4.779 20 30 JJEDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001463838686 1068543019 /nfs/dbraw/zinc/54/30/19/1068543019.db2.gz RBYQZHUAVLRRCJ-UHFFFAOYSA-N 0 0 452.580 4.707 20 30 JJEDRN CC(C)(C)OC(=O)Nc1cccc(C2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)c1 ZINC001463844071 1068545477 /nfs/dbraw/zinc/54/54/77/1068545477.db2.gz PCINGOFTSGRKIT-UHFFFAOYSA-N 0 0 459.543 4.613 20 30 JJEDRN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001463860267 1068549872 /nfs/dbraw/zinc/54/98/72/1068549872.db2.gz PKKIBEFHKJTTNR-FGZHOGPDSA-N 0 0 452.599 4.675 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3csc(-c4ccc(O)cc4)n3)c2)c1 ZINC001463899037 1068559199 /nfs/dbraw/zinc/55/91/99/1068559199.db2.gz NCFFRLAWGCBATH-UHFFFAOYSA-N 0 0 454.507 4.954 20 30 JJEDRN COc1cccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C#Cc3ccccc3)c2)c1 ZINC001463908756 1068562092 /nfs/dbraw/zinc/56/20/92/1068562092.db2.gz LKUYOSUGEKGRAU-UHFFFAOYSA-N 0 0 454.555 4.715 20 30 JJEDRN C=CCNC(=O)Nc1ccc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001463921273 1068566135 /nfs/dbraw/zinc/56/61/35/1068566135.db2.gz BKOIUPUPLDKQAT-KRWDZBQOSA-N 0 0 450.539 4.862 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001463934408 1068570155 /nfs/dbraw/zinc/57/01/55/1068570155.db2.gz JBTCKXIJZIHJCZ-GFCCVEGCSA-N 0 0 452.376 4.707 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)N2CCC(CCc3ccc(F)cc3F)CC2)cc1C(F)(F)F ZINC001463976240 1068579743 /nfs/dbraw/zinc/57/97/43/1068579743.db2.gz FMJUNMLWZARWES-UHFFFAOYSA-N 0 0 458.452 4.889 20 30 JJEDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1ccc(Br)cc1)O[C@H](C)C2 ZINC001464015017 1068589461 /nfs/dbraw/zinc/58/94/61/1068589461.db2.gz GLOGDWXXOXFUEY-ISHJAKKSSA-N 0 0 455.352 4.656 20 30 JJEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCCN(C)C(=O)OC(C)(C)C)c1 ZINC001464048828 1068599661 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CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001464611155 1068798821 /nfs/dbraw/zinc/79/88/21/1068798821.db2.gz NAVCGPBHNCALFB-QGZVFWFLSA-N 0 0 453.789 4.931 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC001464632083 1068804363 /nfs/dbraw/zinc/80/43/63/1068804363.db2.gz FVFOZQINDQHZOK-SFHVURJKSA-N 0 0 454.575 4.685 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(Br)c(C=O)n2C)cc1 ZINC001464685722 1068825172 /nfs/dbraw/zinc/82/51/72/1068825172.db2.gz SPJURGGOISRKLB-UHFFFAOYSA-N 0 0 454.280 4.525 20 30 JJEDRN C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCSCC1 ZINC001464713030 1068835106 /nfs/dbraw/zinc/83/51/06/1068835106.db2.gz WMABYXXIDFDLNU-DEOSSOPVSA-N 0 0 450.604 4.872 20 30 JJEDRN C=CCn1c2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)n2c2ccccc2c1=O ZINC000003301683 519273535 /nfs/dbraw/zinc/27/35/35/519273535.db2.gz JRTQPBSSOYBUDA-LBPRGKRZSA-N 0 0 474.373 4.656 20 30 JJEDRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000013588577 562977661 /nfs/dbraw/zinc/97/76/61/562977661.db2.gz UDIUHELSYQQGES-UHFFFAOYSA-N 0 0 466.028 4.825 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5NC(=O)[C@@H]4C3)cnc2Cl)cc1 ZINC001164403926 718859696 /nfs/dbraw/zinc/85/96/96/718859696.db2.gz NVKMYOHILMWZRJ-VQTJNVASSA-N 0 0 450.876 4.991 20 30 JJEDRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164434718 718982767 /nfs/dbraw/zinc/98/27/67/718982767.db2.gz VEQYARQALCENHP-OXJNMPFZSA-N 0 0 470.303 4.507 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164646115 719289619 /nfs/dbraw/zinc/28/96/19/719289619.db2.gz NCKVASPNDLZGIU-IAOVAPTHSA-N 0 0 494.951 4.629 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)c(Cl)nn2)c1 ZINC001164654815 719295773 /nfs/dbraw/zinc/29/57/73/719295773.db2.gz RUMAJVHTPMGNFU-ZLNRFVROSA-N 0 0 497.933 4.562 20 30 JJEDRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC3)cs1 ZINC001164688425 719592213 /nfs/dbraw/zinc/59/22/13/719592213.db2.gz VVSHEKYAYNORDY-UHFFFAOYSA-N 0 0 486.375 4.732 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccnc3)cnc2Cl)cc1 ZINC001164691146 719777092 /nfs/dbraw/zinc/77/70/92/719777092.db2.gz MOKZTCPZTZJMMD-FGZHOGPDSA-N 0 0 479.918 4.593 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccnc3)cc2c1Cl ZINC001164692508 719778193 /nfs/dbraw/zinc/77/81/93/719778193.db2.gz UIHHSNKMTBPRGS-RTBURBONSA-N 0 0 488.325 4.733 20 30 JJEDRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)CC2 ZINC001164693621 719789601 /nfs/dbraw/zinc/78/96/01/719789601.db2.gz BPRVFULIVOICGL-UHFFFAOYSA-N 0 0 494.329 4.989 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)[C@@H]2CC ZINC001164699669 719822290 /nfs/dbraw/zinc/82/22/90/719822290.db2.gz HUSLCELKUDKDAW-DYESRHJHSA-N 0 0 452.908 4.893 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)[C@@H]2CC ZINC001164704547 719823377 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/nfs/dbraw/zinc/83/03/02/720830302.db2.gz YGNDXZKIRGUKJN-YLJYHZDGSA-N 0 0 456.320 4.980 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@@H]43)cc2c1Cl ZINC001164763047 721011980 /nfs/dbraw/zinc/01/19/80/721011980.db2.gz XDBZKDXSYMATRF-IHPCNDPISA-N 0 0 491.325 4.774 20 30 JJEDRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)n1 ZINC001164771267 721057608 /nfs/dbraw/zinc/05/76/08/721057608.db2.gz MGAPZYFOUHNYRA-DHIUTWEWSA-N 0 0 493.945 4.902 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@@H]32)N=C1C ZINC001164871772 721236081 /nfs/dbraw/zinc/23/60/81/721236081.db2.gz HUWHEKKTEDIORU-NSXLHWASSA-N 0 0 483.950 4.684 20 30 JJEDRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164871863 721243430 /nfs/dbraw/zinc/24/34/30/721243430.db2.gz APJAVIKRNUCQPI-HNNXBMFYSA-N 0 0 484.938 4.918 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)c(Cl)nn2)cc1 ZINC001164875379 721319814 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CC(C)Oc1ccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 ZINC001360354119 1065201713 /nfs/dbraw/zinc/20/17/13/1065201713.db2.gz FESQAQAFZWDLCM-DEOSSOPVSA-N 0 0 450.974 4.959 20 30 JJEDRN CC(C)Oc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)cn1 ZINC001360354474 1065203177 /nfs/dbraw/zinc/20/31/77/1065203177.db2.gz PWAHHFHTBOOLRC-UHFFFAOYSA-N 0 0 450.974 4.959 20 30 JJEDRN CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cc(Cl)ccn2)cn1 ZINC001360354662 1065203697 /nfs/dbraw/zinc/20/36/97/1065203697.db2.gz VZRPFHFBACNGCG-UHFFFAOYSA-N 0 0 473.968 4.732 20 30 JJEDRN CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)cn1 ZINC001360354789 1065203713 /nfs/dbraw/zinc/20/37/13/1065203713.db2.gz XBZHUPWSYAYZDL-FQEVSTJZSA-N 0 0 470.499 4.826 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3sc(N(CC)CC)nc3s2)ccc1OC ZINC001360354845 1065204439 /nfs/dbraw/zinc/20/44/39/1065204439.db2.gz DHOYZBIVTKILRR-HNNXBMFYSA-N 0 0 458.609 4.824 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1ncc(C(C)(C)C)s1 ZINC001436140590 1065210936 /nfs/dbraw/zinc/21/09/36/1065210936.db2.gz JXEDYGFBSOOAJD-UHFFFAOYSA-N 0 0 453.358 4.596 20 30 JJEDRN CN1c2ccc(Br)cc2N(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1(C)C ZINC001436151826 1065216738 /nfs/dbraw/zinc/21/67/38/1065216738.db2.gz VDTYBBFBADBBQG-HXUWFJFHSA-N 0 0 453.384 4.551 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 ZINC001360365943 1065224543 /nfs/dbraw/zinc/22/45/43/1065224543.db2.gz GEPRMDUOHRPIJN-IBGZPJMESA-N 0 0 457.368 4.640 20 30 JJEDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)c3ccccc3n2)cc1 ZINC001436179648 1065231955 /nfs/dbraw/zinc/23/19/55/1065231955.db2.gz NRQOHUPDWLHOPR-UHFFFAOYSA-N 0 0 456.527 4.574 20 30 JJEDRN C#CCOc1cccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC001360374188 1065232739 /nfs/dbraw/zinc/23/27/39/1065232739.db2.gz QMEKBGBRWUPYMQ-YADHBBJMSA-N 0 0 454.954 4.941 20 30 JJEDRN N#Cc1ccc(OC2CCN(C(=O)Cc3cc(Br)ccc3Cl)CC2)c(F)c1 ZINC001436181406 1065233789 /nfs/dbraw/zinc/23/37/89/1065233789.db2.gz GDWVTSDLJNRESJ-UHFFFAOYSA-N 0 0 451.723 4.726 20 30 JJEDRN CCCc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cnn1-c1ccc(F)cc1 ZINC001436182449 1065233959 /nfs/dbraw/zinc/23/39/59/1065233959.db2.gz OKHAKTCYICYNBO-UHFFFAOYSA-N 0 0 450.489 4.658 20 30 JJEDRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001436182675 1065234473 /nfs/dbraw/zinc/23/44/73/1065234473.db2.gz PJEHYYCKQORJMJ-FQEVSTJZSA-N 0 0 450.539 4.655 20 30 JJEDRN COc1ccc(-c2ccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(F)c2)cc1 ZINC001360377698 1065238609 /nfs/dbraw/zinc/23/86/09/1065238609.db2.gz RRVNTUPOMTTZLD-UHFFFAOYSA-N 0 0 457.505 4.864 20 30 JJEDRN Cc1csc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1C#N ZINC001436191977 1065241932 /nfs/dbraw/zinc/24/19/32/1065241932.db2.gz NAIRIURLPHODLY-UHFFFAOYSA-N 0 0 459.980 4.655 20 30 JJEDRN Cc1nc(C(=O)Nc2ccc(C#N)c(Br)c2)nn1-c1c(Cl)cccc1Cl ZINC001436211330 1065254462 /nfs/dbraw/zinc/25/44/62/1065254462.db2.gz HBDWURCQDDRNSQ-UHFFFAOYSA-N 0 0 451.111 4.769 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnc(Br)c(Br)c1 ZINC001436213937 1065255865 /nfs/dbraw/zinc/25/58/65/1065255865.db2.gz NUMBPLLVBHXKDJ-UHFFFAOYSA-N 0 0 456.182 4.603 20 30 JJEDRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)CC2=O)cc1C ZINC001436222174 1065262804 /nfs/dbraw/zinc/26/28/04/1065262804.db2.gz MIDGRSQISCJLQW-HXUWFJFHSA-N 0 0 455.562 4.650 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001360401446 1065265537 /nfs/dbraw/zinc/26/55/37/1065265537.db2.gz ZZYZESGUVDYMRQ-UYAOXDASSA-N 0 0 453.539 4.544 20 30 JJEDRN CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360417594 1065282106 /nfs/dbraw/zinc/28/21/06/1065282106.db2.gz YEBMYWVMZGCAJP-RXVVDRJESA-N 0 0 484.670 4.698 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2nc(C)cc(C(=O)OC)c2s1 ZINC001360417627 1065282207 /nfs/dbraw/zinc/28/22/07/1065282207.db2.gz NQPLLGWURMCFJH-UHFFFAOYSA-N 0 0 451.426 4.622 20 30 JJEDRN CN(C)c1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)ncc1Br ZINC001436272074 1065282928 /nfs/dbraw/zinc/28/29/28/1065282928.db2.gz NCTGSWOMUBJUSX-UHFFFAOYSA-N 0 0 451.324 4.613 20 30 JJEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccc4c(Cl)ccc(Br)c4n3)n2)c1 ZINC001436272952 1065283490 /nfs/dbraw/zinc/28/34/90/1065283490.db2.gz QGNXJOPMUNFKOD-UHFFFAOYSA-N 0 0 452.699 4.960 20 30 JJEDRN C=C(C)CCNC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC001436343112 1065299345 /nfs/dbraw/zinc/29/93/45/1065299345.db2.gz JZKAHVPXBGSYTR-UHFFFAOYSA-N 0 0 455.407 4.657 20 30 JJEDRN Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001436412152 1065312406 /nfs/dbraw/zinc/31/24/06/1065312406.db2.gz GMIWURQEEASURI-UHFFFAOYSA-N 0 0 457.921 4.861 20 30 JJEDRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(Br)cc1C#N ZINC001436449409 1065322212 /nfs/dbraw/zinc/32/22/12/1065322212.db2.gz OLIZKQXZFYMXFG-KPZWWZAWSA-N 0 0 453.258 4.942 20 30 JJEDRN N#Cc1ccc(N2CCC(C(=O)NC3(Cc4ccccc4Br)CC3)CC2)c(F)c1 ZINC001436528865 1065346046 /nfs/dbraw/zinc/34/60/46/1065346046.db2.gz YMDKZECTQFIHBJ-UHFFFAOYSA-N 0 0 456.359 4.568 20 30 JJEDRN C[C@H]1c2c(C#N)c(NC(=O)c3cnn(-c4ccc(Br)cc4)n3)sc2CC[C@@H]1C ZINC001436546231 1065353926 /nfs/dbraw/zinc/35/39/26/1065353926.db2.gz JLEOPEKFVXUCDP-NWDGAFQWSA-N 0 0 456.369 4.901 20 30 JJEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001436560683 1065363419 /nfs/dbraw/zinc/36/34/19/1065363419.db2.gz UNNXISHMENXBMV-UHFFFAOYSA-N 0 0 459.237 4.767 20 30 JJEDRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001436564724 1065366515 /nfs/dbraw/zinc/36/65/15/1065366515.db2.gz LODNGWIWUXRCEV-HZPDHXFCSA-N 0 0 454.452 4.971 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360469336 1065384772 /nfs/dbraw/zinc/38/47/72/1065384772.db2.gz AOJYSMCAXQDHBP-OAHLLOKOSA-N 0 0 466.471 4.536 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360469552 1065385401 /nfs/dbraw/zinc/38/54/01/1065385401.db2.gz DQWBUTCNMFPVQZ-OAHLLOKOSA-N 0 0 466.471 4.536 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCc2cccnc21 ZINC001360469875 1065386170 /nfs/dbraw/zinc/38/61/70/1065386170.db2.gz ISQGNJJPPRLIES-APWZRJJASA-N 0 0 452.509 4.800 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCCS1(=O)=O ZINC001360470127 1065386808 /nfs/dbraw/zinc/38/68/08/1065386808.db2.gz LQMFZSIDFVLBJA-QFBILLFUSA-N 0 0 487.626 4.518 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001360470678 1065388845 /nfs/dbraw/zinc/38/88/45/1065388845.db2.gz SVLXCTMMBBSBLC-XQFWAAQXSA-N 0 0 461.614 4.915 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccccc1OC(F)F ZINC001360470695 1065389015 /nfs/dbraw/zinc/38/90/15/1065389015.db2.gz TVKVQWXPIQWHFS-AWEZNQCLSA-N 0 0 493.356 4.629 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCc1c[nH]c2ccccc12 ZINC001360470693 1065389107 /nfs/dbraw/zinc/38/91/07/1065389107.db2.gz TUVQOLODMRVRCT-HNNXBMFYSA-N 0 0 466.387 4.508 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC(F)(F)Br ZINC001360471548 1065391633 /nfs/dbraw/zinc/39/16/33/1065391633.db2.gz JNICLKNQNOMQRG-VIFPVBQESA-N 0 0 481.114 4.573 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cccnc1OCC(F)(F)F ZINC001360474048 1065393576 /nfs/dbraw/zinc/39/35/76/1065393576.db2.gz GBNAQUNPUWBYCL-MRXNPFEDSA-N 0 0 483.498 4.560 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)CCCO2 ZINC001360476239 1065395189 /nfs/dbraw/zinc/39/51/89/1065395189.db2.gz JBHMIJGPSGPUPZ-KNQAVFIVSA-N 0 0 494.640 4.504 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)Cc2ccccc2C1 ZINC001360477177 1065395246 /nfs/dbraw/zinc/39/52/46/1065395246.db2.gz WTPHSKBCQLLHTM-REWPJTCUSA-N 0 0 492.668 4.936 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360478055 1065395750 /nfs/dbraw/zinc/39/57/50/1065395750.db2.gz FGFJPQLLVOQUDU-ZDUSSCGKSA-N 0 0 468.936 4.979 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(COC(C)(C)C)on1 ZINC001360478826 1065396711 /nfs/dbraw/zinc/39/67/11/1065396711.db2.gz NWJIJIPOYSJULG-INIZCTEOSA-N 0 0 456.978 4.612 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1coc(-c2cccs2)n1 ZINC001360478831 1065396745 /nfs/dbraw/zinc/39/67/45/1065396745.db2.gz NYNKNMBPXPAHPB-CQSZACIVSA-N 0 0 454.506 4.650 20 30 JJEDRN Cc1ccc(C[C@H](NC(=O)COc2cccc(Br)c2C#N)c2ccccn2)cc1 ZINC001360480290 1065399168 /nfs/dbraw/zinc/39/91/68/1065399168.db2.gz ULGLPMGJFGVWRP-NRFANRHFSA-N 0 0 450.336 4.503 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1nc2c(s1)CCCC2 ZINC001360483138 1065403025 /nfs/dbraw/zinc/40/30/25/1065403025.db2.gz SERRDORWJCBCQP-JBYIUTFZSA-N 0 0 470.687 4.903 20 30 JJEDRN C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001436645382 1065414672 /nfs/dbraw/zinc/41/46/72/1065414672.db2.gz SSQLVAWKNQWYBA-OALUTQOASA-N 0 0 450.432 4.901 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 ZINC001436649974 1065417319 /nfs/dbraw/zinc/41/73/19/1065417319.db2.gz SLXMNYAKIALXFH-LAUBAEHRSA-N 0 0 458.967 4.960 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 ZINC001436649977 1065417493 /nfs/dbraw/zinc/41/74/93/1065417493.db2.gz SLXMNYAKIALXFH-UTKZUKDTSA-N 0 0 458.967 4.960 20 30 JJEDRN C#C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1ccc(Br)cc1 ZINC001436651230 1065418231 /nfs/dbraw/zinc/41/82/31/1065418231.db2.gz MVIMDYNQLKGZHA-SFHVURJKSA-N 0 0 459.141 4.502 20 30 JJEDRN C#C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(Br)cc1 ZINC001436651530 1065418316 /nfs/dbraw/zinc/41/83/16/1065418316.db2.gz QMPGTFFQFFQDHK-OAHLLOKOSA-N 0 0 457.549 4.735 20 30 JJEDRN C[C@H](Cc1cccs1)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 ZINC001360502813 1065429103 /nfs/dbraw/zinc/42/91/03/1065429103.db2.gz CYWSHHATVSAVNT-RLLQIKCJSA-N 0 0 484.670 4.729 20 30 JJEDRN N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccn(-c3ccc(Br)cc3)n2)nc1 ZINC001436866326 1065456516 /nfs/dbraw/zinc/45/65/16/1065456516.db2.gz BQOKKBDWKRBOTF-UHFFFAOYSA-N 0 0 458.319 4.748 20 30 JJEDRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1C ZINC001436939846 1065477560 /nfs/dbraw/zinc/47/75/60/1065477560.db2.gz XSPUWRDZDISYBX-SPLOXXLWSA-N 0 0 454.368 4.567 20 30 JJEDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1C ZINC001436939825 1065477578 /nfs/dbraw/zinc/47/75/78/1065477578.db2.gz XSPUWRDZDISYBX-LHSJRXKWSA-N 0 0 454.368 4.567 20 30 JJEDRN C=CCn1c(SCC(=O)OCc2nc(C)ccc2OCC)nnc1-c1ccc(Cl)cc1 ZINC001437023935 1065497777 /nfs/dbraw/zinc/49/77/77/1065497777.db2.gz YHWZCTXWXJWSKG-UHFFFAOYSA-N 0 0 458.971 4.722 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](F)C2)ccc1Cl ZINC001437074125 1065506355 /nfs/dbraw/zinc/50/63/55/1065506355.db2.gz OLGLJUXUDRKYOF-ZWKOTPCHSA-N 0 0 450.963 4.732 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H](F)C2)c1 ZINC001437075727 1065506759 /nfs/dbraw/zinc/50/67/59/1065506759.db2.gz WGDUYWDUPCOELB-DLBZAZTESA-N 0 0 450.963 4.732 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H](F)C2)c1 ZINC001437075734 1065507325 /nfs/dbraw/zinc/50/73/25/1065507325.db2.gz WGDUYWDUPCOELB-SJORKVTESA-N 0 0 450.963 4.732 20 30 JJEDRN COc1ccc([C@@H]2C[C@H]2C(=O)Oc2c(Br)cc(C#N)cc2Br)cc1 ZINC001437084177 1065508514 /nfs/dbraw/zinc/50/85/14/1065508514.db2.gz YQGMOKZERTUQMQ-UONOGXRCSA-N 0 0 451.114 4.801 20 30 JJEDRN O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001437100737 1065509737 /nfs/dbraw/zinc/50/97/37/1065509737.db2.gz BZLJJPDRJWCKDQ-UHFFFAOYSA-N 0 0 455.721 4.695 20 30 JJEDRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)c(C#N)cn3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001437192058 1065518354 /nfs/dbraw/zinc/51/83/54/1065518354.db2.gz ZWAMURDMCBWDQD-ZEQKJWHPSA-N 0 0 454.530 4.702 20 30 JJEDRN C[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC#N)CC1)N(C)C(=O)OC(C)(C)C ZINC001360540665 1065526275 /nfs/dbraw/zinc/52/62/75/1065526275.db2.gz DJUTVFGAIOKAFR-IBGZPJMESA-N 0 0 489.624 4.879 20 30 JJEDRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 ZINC001437360267 1065541754 /nfs/dbraw/zinc/54/17/54/1065541754.db2.gz DIEUHFHENJNTKD-HHHXNRCGSA-N 0 0 457.530 4.775 20 30 JJEDRN C#CCN(C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001360557540 1065546875 /nfs/dbraw/zinc/54/68/75/1065546875.db2.gz ZENMKFIHAQOUMJ-XJABCFGWSA-N 0 0 454.364 4.937 20 30 JJEDRN C#CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001360557366 1065547073 /nfs/dbraw/zinc/54/70/73/1065547073.db2.gz WBALOVWBBGQOAZ-HXUWFJFHSA-N 0 0 455.377 4.540 20 30 JJEDRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1)N(C)C(=O)OC(C)(C)C ZINC001360562411 1065552458 /nfs/dbraw/zinc/55/24/58/1065552458.db2.gz BYVYLAADLLITOV-LGKPFJOYSA-N 0 0 494.640 4.519 20 30 JJEDRN C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)Oc1cccc(F)c1 ZINC001360566021 1065556676 /nfs/dbraw/zinc/55/66/76/1065556676.db2.gz ZCTHJBHMQNFTAZ-KBPBESRZSA-N 0 0 496.427 4.710 20 30 JJEDRN C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)Oc1cccc(F)c1 ZINC001360566024 1065556718 /nfs/dbraw/zinc/55/67/18/1065556718.db2.gz ZCTHJBHMQNFTAZ-ZIAGYGMSSA-N 0 0 496.427 4.710 20 30 JJEDRN Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 ZINC001360566216 1065556842 /nfs/dbraw/zinc/55/68/42/1065556842.db2.gz FLGZMOSOATUESU-UHFFFAOYSA-N 0 0 450.564 4.634 20 30 JJEDRN C=CCC1(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CCOCC1 ZINC001437485409 1065561397 /nfs/dbraw/zinc/56/13/97/1065561397.db2.gz XSDNUXZEZCAFNW-UHFFFAOYSA-N 0 0 459.329 4.649 20 30 JJEDRN C#CCCOc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)cc1 ZINC001437556727 1065574798 /nfs/dbraw/zinc/57/47/98/1065574798.db2.gz KGCPSVYIHAVSEP-DQEYMECFSA-N 0 0 478.589 4.620 20 30 JJEDRN Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc(C)c1C#N ZINC001437557985 1065575334 /nfs/dbraw/zinc/57/53/34/1065575334.db2.gz KWITVZWBFIZQJR-FYYLOGMGSA-N 0 0 451.542 4.837 20 30 JJEDRN C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccsc1)N(C)C(=O)OC(C)(C)C ZINC001360583347 1065580725 /nfs/dbraw/zinc/58/07/25/1065580725.db2.gz BOHZIZCQBDEKBJ-GOSISDBHSA-N 0 0 496.637 4.682 20 30 JJEDRN C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1nccs1 ZINC001360584552 1065584961 /nfs/dbraw/zinc/58/49/61/1065584961.db2.gz XVXPDEIUFYHKEK-WIYYLYMNSA-N 0 0 480.638 4.773 20 30 JJEDRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N(c3cccc(C#N)c3)C3CCC3)cc2)c1C ZINC001437671607 1065590901 /nfs/dbraw/zinc/59/09/01/1065590901.db2.gz IMTDEVOVCXHQAU-UHFFFAOYSA-N 0 0 456.546 4.666 20 30 JJEDRN N#Cc1ccc(OCc2cccc(C(=O)NCCc3nc(-c4cccc(Cl)c4)no3)c2)cc1 ZINC001360589787 1065593854 /nfs/dbraw/zinc/59/38/54/1065593854.db2.gz RWBUIOSFRSHGEZ-UHFFFAOYSA-N 0 0 458.905 4.813 20 30 JJEDRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)Sc1ccccc1 ZINC001360589991 1065594471 /nfs/dbraw/zinc/59/44/71/1065594471.db2.gz BIOUMITWIXPGRX-AGFSROSKSA-N 0 0 457.619 4.819 20 30 JJEDRN N#CCc1ccccc1CC(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 ZINC001437715174 1065595064 /nfs/dbraw/zinc/59/50/64/1065595064.db2.gz LLBVSFJSPDMVJT-UHFFFAOYSA-N 0 0 452.337 4.696 20 30 JJEDRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C(=O)OC(C)(C)C ZINC001360591207 1065597754 /nfs/dbraw/zinc/59/77/54/1065597754.db2.gz YPRCGQCIJWYLQH-BJZAYRLRSA-N 0 0 488.677 4.582 20 30 JJEDRN Cc1cc(C(=O)N(C)c2nc3cc(Br)ccc3s2)nn1-c1cccc(C#N)c1 ZINC001437754566 1065601328 /nfs/dbraw/zinc/60/13/28/1065601328.db2.gz QSLYPMIWONTIOE-UHFFFAOYSA-N 0 0 452.337 4.701 20 30 JJEDRN N#CC1(CNC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CCCCC1 ZINC001437780662 1065605322 /nfs/dbraw/zinc/60/53/22/1065605322.db2.gz HQWRXHSDPBFECN-UHFFFAOYSA-N 0 0 459.468 4.927 20 30 JJEDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC001360596381 1065609189 /nfs/dbraw/zinc/60/91/89/1065609189.db2.gz YTGGHBIIDCKISR-DEOSSOPVSA-N 0 0 455.514 4.911 20 30 JJEDRN Cc1noc(C)c1COc1ccc(CC(=O)Oc2c(F)cc(C#N)cc2Br)cc1 ZINC001437995774 1065642316 /nfs/dbraw/zinc/64/23/16/1065642316.db2.gz ALFKQZVCKSDWJB-UHFFFAOYSA-N 0 0 459.271 4.792 20 30 JJEDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)Oc1c(F)cc(C#N)cc1Br ZINC001437998269 1065643059 /nfs/dbraw/zinc/64/30/59/1065643059.db2.gz LVUCTLGZIUJQPK-UHFFFAOYSA-N 0 0 458.287 4.900 20 30 JJEDRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccsc1 ZINC001360612562 1065654279 /nfs/dbraw/zinc/65/42/79/1065654279.db2.gz VRONEAMSZZQWKQ-SFHVURJKSA-N 0 0 496.637 4.587 20 30 JJEDRN COc1cc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c(F)cc1C#N ZINC001438031837 1065655899 /nfs/dbraw/zinc/65/58/99/1065655899.db2.gz SEDSZYNHOWDGGS-UHFFFAOYSA-N 0 0 458.243 4.566 20 30 JJEDRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC001360616142 1065665929 /nfs/dbraw/zinc/66/59/29/1065665929.db2.gz ZNKDPYIJJCULSN-LJQANCHMSA-N 0 0 478.641 4.902 20 30 JJEDRN CC(F)(F)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360626985 1065673093 /nfs/dbraw/zinc/67/30/93/1065673093.db2.gz AWQBAKASEIKINE-UHFFFAOYSA-N 0 0 487.851 4.805 20 30 JJEDRN CC(F)(F)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001360626972 1065673174 /nfs/dbraw/zinc/67/31/74/1065673174.db2.gz ALSACGHHYOLTKE-UHFFFAOYSA-N 0 0 492.361 4.890 20 30 JJEDRN CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001360627577 1065674048 /nfs/dbraw/zinc/67/40/48/1065674048.db2.gz KSRSISLCYPRZFS-GOSISDBHSA-N 0 0 499.953 4.766 20 30 JJEDRN N#Cc1ccc(CNC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)cc1 ZINC001360629662 1065677287 /nfs/dbraw/zinc/67/72/87/1065677287.db2.gz HOCQHVWLIUPDSG-UHFFFAOYSA-N 0 0 459.571 4.608 20 30 JJEDRN Cc1c(I)cc(Br)cc1NC(=O)c1cc(C#N)ccc1F ZINC001438177322 1065687490 /nfs/dbraw/zinc/68/74/90/1065687490.db2.gz LGHYBUMBXLBLPX-UHFFFAOYSA-N 0 0 459.056 4.625 20 30 JJEDRN C[C@H](N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)CC1)C(F)(F)F ZINC001360636267 1065692469 /nfs/dbraw/zinc/69/24/69/1065692469.db2.gz CYHWXTBMDGSLPH-SFHVURJKSA-N 0 0 490.574 4.628 20 30 JJEDRN Cc1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1NC(=O)c1ccccc1F ZINC001438207210 1065695109 /nfs/dbraw/zinc/69/51/09/1065695109.db2.gz SCGJHHWGSYWYSG-UHFFFAOYSA-N 0 0 456.521 4.657 20 30 JJEDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccsc2)C1 ZINC001360640137 1065709443 /nfs/dbraw/zinc/70/94/43/1065709443.db2.gz ULJDIWWBZPRTPW-GCJKJVERSA-N 0 0 492.649 4.860 20 30 JJEDRN COc1ccc(-c2nc(C)c(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)s2)c(F)c1 ZINC001438370391 1065717377 /nfs/dbraw/zinc/71/73/77/1065717377.db2.gz XTESAZOQFASWSR-UHFFFAOYSA-N 0 0 451.523 4.574 20 30 JJEDRN COc1ccc(Br)cc1-c1nc(C(=O)N(C)CCc2cccc(C#N)c2)cs1 ZINC001438630615 1065738134 /nfs/dbraw/zinc/73/81/34/1065738134.db2.gz FQOSDOPFPNDVCJ-UHFFFAOYSA-N 0 0 456.365 4.768 20 30 JJEDRN N#Cc1ccc(Cn2cc(NC(=O)CCOc3ccc(Cl)cc3Br)cn2)cc1 ZINC001438683053 1065743025 /nfs/dbraw/zinc/74/30/25/1065743025.db2.gz JUQGOMBFRYQFFR-UHFFFAOYSA-N 0 0 459.731 4.627 20 30 JJEDRN CCN(CC)[C@@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)c1cccc(C(F)(F)F)c1 ZINC001438684798 1065743618 /nfs/dbraw/zinc/74/36/18/1065743618.db2.gz CEWFWWJGXJSFDG-JOCHJYFZSA-N 0 0 455.484 4.843 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)s1 ZINC001438713841 1065745737 /nfs/dbraw/zinc/74/57/37/1065745737.db2.gz XGNUUBBCSISDJH-UHFFFAOYSA-N 0 0 452.001 4.834 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC001438773559 1065750929 /nfs/dbraw/zinc/75/09/29/1065750929.db2.gz XTLXCHIVCKQTEA-FQEVSTJZSA-N 0 0 459.468 4.885 20 30 JJEDRN C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC001360726609 1065753629 /nfs/dbraw/zinc/75/36/29/1065753629.db2.gz GGRZKYUPMUDQDD-UTKZUKDTSA-N 0 0 461.513 4.565 20 30 JJEDRN C[C@](O)(Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1)c1cccs1 ZINC001360733148 1065761667 /nfs/dbraw/zinc/76/16/67/1065761667.db2.gz ZNQRYKSPBSSUEM-QFIPXVFZSA-N 0 0 492.432 4.873 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1nc2c(s1)CCCC2 ZINC001360736442 1065764759 /nfs/dbraw/zinc/76/47/59/1065764759.db2.gz AVAKOFPNFAOWFU-IRXDYDNUSA-N 0 0 468.602 4.874 20 30 JJEDRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCCc2ccccn2)n1Cc1ccc(C#N)o1 ZINC001360739959 1065772532 /nfs/dbraw/zinc/77/25/32/1065772532.db2.gz ZPNGQRIZSJLIDV-GOSISDBHSA-N 0 0 460.513 4.534 20 30 JJEDRN O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC001439177949 1065795080 /nfs/dbraw/zinc/79/50/80/1065795080.db2.gz BEWWQZOADQEPDO-IMTBSYHQSA-N 0 0 480.718 4.887 20 30 JJEDRN N#CCCn1cc(C(=O)NCCc2ccc(Cl)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001439200881 1065797437 /nfs/dbraw/zinc/79/74/37/1065797437.db2.gz ICUPWJFIJILHNG-UHFFFAOYSA-N 0 0 458.305 4.651 20 30 JJEDRN CSc1ccc(CNC(=O)[C@@]2(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C2)cc1C#N ZINC001439248170 1065804589 /nfs/dbraw/zinc/80/45/89/1065804589.db2.gz TXBJIEGRKLSQEZ-WBANQOEISA-N 0 0 451.592 4.521 20 30 JJEDRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1CC[S@](=O)C(C)(C)C ZINC001360755435 1065808733 /nfs/dbraw/zinc/80/87/33/1065808733.db2.gz CWEOTEBRIZUOKN-IQVDJAOASA-N 0 0 478.062 4.749 20 30 JJEDRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001360755437 1065808841 /nfs/dbraw/zinc/80/88/41/1065808841.db2.gz CWEOTEBRIZUOKN-UJQZNKFNSA-N 0 0 478.062 4.749 20 30 JJEDRN COC(=O)[C@H](NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1ccccc1OC(F)(F)F ZINC001439296520 1065812410 /nfs/dbraw/zinc/81/24/10/1065812410.db2.gz QBRPXIKBXVLRMZ-CQSZACIVSA-N 0 0 457.273 4.526 20 30 JJEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(C)Cc1cccc(Br)c1 ZINC001439360443 1065820899 /nfs/dbraw/zinc/82/08/99/1065820899.db2.gz QOHDTWFQVHFRTM-HSZRJFAPSA-N 0 0 456.384 4.595 20 30 JJEDRN Cn1cc(Br)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1=O ZINC001439669114 1065854478 /nfs/dbraw/zinc/85/44/78/1065854478.db2.gz WWHCQFPIJBCKQV-UHFFFAOYSA-N 0 0 458.699 4.717 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC001360768060 1065858159 /nfs/dbraw/zinc/85/81/59/1065858159.db2.gz FDRXZKBKAUHRBM-OAQYLSRUSA-N 0 0 453.311 4.939 20 30 JJEDRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CCCN(C)CC(F)(F)F ZINC001360769014 1065859920 /nfs/dbraw/zinc/85/99/20/1065859920.db2.gz CBNNEUCRCKBZLQ-KRWDZBQOSA-N 0 0 482.526 4.571 20 30 JJEDRN C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439785510 1065876383 /nfs/dbraw/zinc/87/63/83/1065876383.db2.gz CDHICFDHFDVVHQ-UWJYBYFXSA-N 0 0 451.741 4.737 20 30 JJEDRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCCC(F)(F)F ZINC001360775253 1065876619 /nfs/dbraw/zinc/87/66/19/1065876619.db2.gz ZDIUHDMMOAVMND-AWEZNQCLSA-N 0 0 483.432 4.584 20 30 JJEDRN COc1ccccc1C[C@H](C)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439788135 1065876955 /nfs/dbraw/zinc/87/69/55/1065876955.db2.gz LESNFWXSEYFQLB-UBHSHLNASA-N 0 0 459.377 4.893 20 30 JJEDRN O=C([C@@H]1CSC[C@H]1c1ccccc1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439789945 1065877346 /nfs/dbraw/zinc/87/73/46/1065877346.db2.gz TUFKNNCXJCGHTH-CRWXNKLISA-N 0 0 459.402 4.763 20 30 JJEDRN CC(C)(C)Cc1ncc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)s1 ZINC001439791823 1065877968 /nfs/dbraw/zinc/87/79/68/1065877968.db2.gz AQUPTMOADJMNRL-RKDXNWHRSA-N 0 0 450.395 4.975 20 30 JJEDRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC=C(Br)C2)n1Cc1ccc(C#N)o1 ZINC001360775482 1065878037 /nfs/dbraw/zinc/87/80/37/1065878037.db2.gz VKXPWCHLXDWVAX-AWEZNQCLSA-N 0 0 472.318 4.559 20 30 JJEDRN O=C(c1oc(C2CC2)nc1C(F)F)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439791870 1065878028 /nfs/dbraw/zinc/87/80/28/1065878028.db2.gz CNPDISSWMBALOR-KNVOCYPGSA-N 0 0 454.264 4.733 20 30 JJEDRN CC(C)(C)Cc1ncc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)s1 ZINC001439791822 1065878188 /nfs/dbraw/zinc/87/81/88/1065878188.db2.gz AQUPTMOADJMNRL-IUCAKERBSA-N 0 0 450.395 4.975 20 30 JJEDRN O=C(c1oc(C2CC2)nc1C(F)F)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439791871 1065878201 /nfs/dbraw/zinc/87/82/01/1065878201.db2.gz CNPDISSWMBALOR-RNFRBKRXSA-N 0 0 454.264 4.733 20 30 JJEDRN O=C(CCc1cnc2ccccc2c1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439792480 1065878828 /nfs/dbraw/zinc/87/88/28/1065878828.db2.gz HLKYZLMALHQUMO-ZIAGYGMSSA-N 0 0 452.345 4.797 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N[C@H](c2ccc(OC)cc2)C2CCC2)nnc1-c1ccco1 ZINC001439830939 1065884431 /nfs/dbraw/zinc/88/44/31/1065884431.db2.gz FLHTXPAMCKKXGC-QFIPXVFZSA-N 0 0 452.580 4.873 20 30 JJEDRN CN1C(=O)CN(C(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc21 ZINC001439897747 1065889926 /nfs/dbraw/zinc/88/99/26/1065889926.db2.gz QNLPRYCJIDMDSC-UHFFFAOYSA-N 0 0 452.301 4.983 20 30 JJEDRN CC(C)(C)OC(=O)N(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 ZINC001360783053 1065894518 /nfs/dbraw/zinc/89/45/18/1065894518.db2.gz BVSKCXSHOFMFND-XMMPIXPASA-N 0 0 486.020 4.523 20 30 JJEDRN C=CC[S@](=O)(=NC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC001439950366 1065895193 /nfs/dbraw/zinc/89/51/93/1065895193.db2.gz IGWGPKVZDHTQTG-RREMMYEYSA-N 0 0 456.995 4.974 20 30 JJEDRN CC(C)(C)c1nccc(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@](C)(C#N)C2)n1 ZINC001360783256 1065895409 /nfs/dbraw/zinc/89/54/09/1065895409.db2.gz GMDQEAKEDUHIBN-RUZDIDTESA-N 0 0 479.032 4.844 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001360783586 1065895690 /nfs/dbraw/zinc/89/56/90/1065895690.db2.gz NGMVWAWGYGGYSU-DEOSSOPVSA-N 0 0 499.457 4.630 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2Cl)C1 ZINC001360783631 1065896684 /nfs/dbraw/zinc/89/66/84/1065896684.db2.gz OGSJLNBGXRKYOZ-OAQYLSRUSA-N 0 0 489.805 4.898 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2CCOCC2)C1 ZINC001360783629 1065896706 /nfs/dbraw/zinc/89/67/06/1065896706.db2.gz OFTJCNJIGXUXGP-QFIPXVFZSA-N 0 0 476.394 4.793 20 30 JJEDRN CC(C)(C)OC(=O)NCCCCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360783778 1065897202 /nfs/dbraw/zinc/89/72/02/1065897202.db2.gz RNYUOVLSIDLSCJ-HHHXNRCGSA-N 0 0 489.624 4.928 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2CCNc2ncc(Cl)cc2Cl)C1 ZINC001360783801 1065897353 /nfs/dbraw/zinc/89/73/53/1065897353.db2.gz RUAFUYJKMGMGIQ-QFIPXVFZSA-N 0 0 456.381 4.889 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001360784661 1065898605 /nfs/dbraw/zinc/89/86/05/1065898605.db2.gz IYSISVRAEVSROS-XMSQKQJNSA-N 0 0 480.966 4.537 20 30 JJEDRN CC(C)(C)[C@H]1OCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001360784978 1065898640 /nfs/dbraw/zinc/89/86/40/1065898640.db2.gz NGIIKBOCMBCVSF-AMZDPNTKSA-N 0 0 453.606 4.979 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2Cc2cc(Br)cs2)C1 ZINC001360784784 1065898651 /nfs/dbraw/zinc/89/86/51/1065898651.db2.gz KKIOQEBHDMMOTG-IBGZPJMESA-N 0 0 462.442 4.933 20 30 JJEDRN C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(CC=C)c3ccc(Cl)cc3)c2)cc1 ZINC001439971054 1065899305 /nfs/dbraw/zinc/89/93/05/1065899305.db2.gz JBOKEYOWJNHAPR-UHFFFAOYSA-N 0 0 450.947 4.955 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2F)CC1 ZINC001360785517 1065899849 /nfs/dbraw/zinc/89/98/49/1065899849.db2.gz XFSGIZASYUVMKP-SANMLTNESA-N 0 0 482.604 4.710 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccccc2F)CC1 ZINC001360785516 1065900036 /nfs/dbraw/zinc/90/00/36/1065900036.db2.gz XFSGIZASYUVMKP-AREMUKBSSA-N 0 0 482.604 4.710 20 30 JJEDRN C[C@](O)(Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)c1ccco1 ZINC001360787813 1065901073 /nfs/dbraw/zinc/90/10/73/1065901073.db2.gz DAALYJZIRSEGSW-GOTSBHOMSA-N 0 0 490.391 4.795 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@H](CCn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001360787864 1065901565 /nfs/dbraw/zinc/90/15/65/1065901565.db2.gz FNTVUTKUUKZGID-HFZDXXHNSA-N 0 0 470.662 4.788 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cc(F)ccc1F ZINC001360787887 1065901574 /nfs/dbraw/zinc/90/15/74/1065901574.db2.gz GCPRMFQVHFZJQI-NBGIEHNGSA-N 0 0 486.567 4.807 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[C@@H]1CCCCO1 ZINC001360788631 1065902510 /nfs/dbraw/zinc/90/25/10/1065902510.db2.gz YJGIYAPTOOHJPI-ISJBWFOZSA-N 0 0 486.661 4.829 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@H]1CCCCO1 ZINC001360788632 1065902526 /nfs/dbraw/zinc/90/25/26/1065902526.db2.gz YJGIYAPTOOHJPI-SWYRRKHMSA-N 0 0 486.661 4.829 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOc1ccccc1 ZINC001360788178 1065902651 /nfs/dbraw/zinc/90/26/51/1065902651.db2.gz MULVBIYRZTZUMU-LVXARBLLSA-N 0 0 480.613 4.559 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3cccnc3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001360788793 1065903052 /nfs/dbraw/zinc/90/30/52/1065903052.db2.gz FJUKFOPSUVIDFM-UHFFFAOYSA-N 0 0 458.900 4.773 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCSC(F)(F)F)CC1 ZINC001360788941 1065903685 /nfs/dbraw/zinc/90/36/85/1065903685.db2.gz KVGGJPWLFMZXON-UHFFFAOYSA-N 0 0 461.517 4.514 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccccn3)n2CCc2cc(Br)ccc2F)CC1 ZINC001360789028 1065903712 /nfs/dbraw/zinc/90/37/12/1065903712.db2.gz OFAYVLKKCGFUKP-UHFFFAOYSA-N 0 0 469.362 4.614 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOCC2CCOCC2)CC1 ZINC001360789256 1065903938 /nfs/dbraw/zinc/90/39/38/1065903938.db2.gz YDZBVKVUAGCGMJ-UHFFFAOYSA-N 0 0 489.567 4.510 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC=CO2)CC1 ZINC001360789129 1065903954 /nfs/dbraw/zinc/90/39/54/1065903954.db2.gz SNXMVKDUNPQZJI-MRXNPFEDSA-N 0 0 460.351 4.669 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCNC(=O)C2CCC2)CC1 ZINC001360789084 1065904152 /nfs/dbraw/zinc/90/41/52/1065904152.db2.gz QZBYJXOTIYQRIE-UHFFFAOYSA-N 0 0 475.424 4.688 20 30 JJEDRN CC1(C#N)CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cc(Br)ccc2F)CC1 ZINC001360791197 1065905583 /nfs/dbraw/zinc/90/55/83/1065905583.db2.gz RKARSYRBHASYGT-IBGZPJMESA-N 0 0 476.394 4.794 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(C)(C)C2)C1 ZINC001360801599 1065912609 /nfs/dbraw/zinc/91/26/09/1065912609.db2.gz IPWISVPDNDMNMR-NRFANRHFSA-N 0 0 464.614 4.746 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC(C)(C#N)CC3)n2CC2CC(C)(C)C2)C1 ZINC001360801577 1065912836 /nfs/dbraw/zinc/91/28/36/1065912836.db2.gz ICIPAZFCYSQSMX-FQEVSTJZSA-N 0 0 470.662 4.959 20 30 JJEDRN CC1(C)CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360804897 1065915801 /nfs/dbraw/zinc/91/58/01/1065915801.db2.gz BDWXLSNXHOSSLS-LJQANCHMSA-N 0 0 459.516 4.991 20 30 JJEDRN CC1(C)CCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 ZINC001360804906 1065915850 /nfs/dbraw/zinc/91/58/50/1065915850.db2.gz BIOKRWMCRFMQQQ-WBVHZDCISA-N 0 0 464.397 4.719 20 30 JJEDRN CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001360812191 1065925195 /nfs/dbraw/zinc/92/51/95/1065925195.db2.gz FFYWYHJWCUNRAR-UHFFFAOYSA-N 0 0 490.574 4.772 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)s1 ZINC001440271436 1065926928 /nfs/dbraw/zinc/92/69/28/1065926928.db2.gz CHNBVFSDBMBRMK-IERDGZPVSA-N 0 0 472.076 4.887 20 30 JJEDRN CC1(C)CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccc(C#N)o2)CC1 ZINC001360817689 1065930554 /nfs/dbraw/zinc/93/05/54/1065930554.db2.gz UPKKZFOSLMMQMR-UHFFFAOYSA-N 0 0 470.371 4.759 20 30 JJEDRN CSc1nc2ccc(NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)cc2s1 ZINC001440429032 1065940144 /nfs/dbraw/zinc/94/01/44/1065940144.db2.gz ARSFXJMRIKNBBE-BJCXIENYSA-N 0 0 458.609 4.744 20 30 JJEDRN CC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@](F)(C#N)C2)CCCC1 ZINC001360835686 1065947188 /nfs/dbraw/zinc/94/71/88/1065947188.db2.gz VKGXNXLUUWRNPF-FQEVSTJZSA-N 0 0 450.331 4.869 20 30 JJEDRN CC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 ZINC001360835687 1065947327 /nfs/dbraw/zinc/94/73/27/1065947327.db2.gz VKGXNXLUUWRNPF-HXUWFJFHSA-N 0 0 450.331 4.869 20 30 JJEDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)c(C(F)(F)F)cc1F ZINC001440634489 1065956188 /nfs/dbraw/zinc/95/61/88/1065956188.db2.gz GZPXEHJEXZWDLH-UHFFFAOYSA-N 0 0 457.277 4.753 20 30 JJEDRN Cc1sc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)c1Br ZINC001360848890 1065957953 /nfs/dbraw/zinc/95/79/53/1065957953.db2.gz IUHMUCPXZSIZQF-KBPBESRZSA-N 0 0 486.439 4.920 20 30 JJEDRN Cc1sc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCO[C@H](C)C2)c1Br ZINC001360849006 1065958351 /nfs/dbraw/zinc/95/83/51/1065958351.db2.gz LKZCTLHREOBBSP-CQSZACIVSA-N 0 0 486.439 4.921 20 30 JJEDRN Cc1sc(C)c(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)c1Br ZINC001360849134 1065958676 /nfs/dbraw/zinc/95/86/76/1065958676.db2.gz OMFKWIFYEMUUGT-INIZCTEOSA-N 0 0 478.460 4.791 20 30 JJEDRN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)c(F)c1 ZINC001440661350 1065960091 /nfs/dbraw/zinc/96/00/91/1065960091.db2.gz FEGFVOACDMRYCO-UHFFFAOYSA-N 0 0 457.505 4.849 20 30 JJEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3scc(Br)c3c2)CC1 ZINC001440679747 1065964479 /nfs/dbraw/zinc/96/44/79/1065964479.db2.gz CMQUQBJIFRKVFQ-IBGZPJMESA-N 0 0 458.356 4.826 20 30 JJEDRN CC[C@H](Cc1ccccc1Br)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001440683527 1065965923 /nfs/dbraw/zinc/96/59/23/1065965923.db2.gz KLDVJLGYSGETJF-VGOFRKELSA-N 0 0 458.375 4.566 20 30 JJEDRN Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC001440683493 1065966043 /nfs/dbraw/zinc/96/60/43/1065966043.db2.gz KEVFQWAZAFOWII-XMMPIXPASA-N 0 0 450.945 4.909 20 30 JJEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 ZINC001440686157 1065966908 /nfs/dbraw/zinc/96/69/08/1065966908.db2.gz QRWXHUMFAFYRDH-HSZRJFAPSA-N 0 0 450.901 4.689 20 30 JJEDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001440737982 1065973456 /nfs/dbraw/zinc/97/34/56/1065973456.db2.gz IFBHPGMGJAYGPD-UHFFFAOYSA-N 0 0 452.530 4.617 20 30 JJEDRN CC1=C(Br)CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360857490 1065975381 /nfs/dbraw/zinc/97/53/81/1065975381.db2.gz AUPNWWWWFYDZQA-IYARVYRRSA-N 0 0 474.378 4.746 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCC[C@H]2C)c1C ZINC001360870732 1066003271 /nfs/dbraw/zinc/00/32/71/1066003271.db2.gz QIRLUOXFNQLPSV-NYUJMHJJSA-N 0 0 451.615 4.716 20 30 JJEDRN CC(C)Oc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)ccc1Br ZINC001441059704 1066004830 /nfs/dbraw/zinc/00/48/30/1066004830.db2.gz SJOCUHWIVIGHMD-INIZCTEOSA-N 0 0 452.146 4.993 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ncccc2N(C)C)c1C ZINC001360872867 1066007069 /nfs/dbraw/zinc/00/70/69/1066007069.db2.gz AGMLJMIBGNCEGX-JIPXPUAJSA-N 0 0 473.625 4.674 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2CCO[C@@H](C)C2)c1C ZINC001360873175 1066008444 /nfs/dbraw/zinc/00/84/44/1066008444.db2.gz FXEJKCAOHYBGOP-HOSCZWGSSA-N 0 0 455.578 4.682 20 30 JJEDRN Cc1nc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)sc1SCC(N)=O ZINC001441124552 1066009550 /nfs/dbraw/zinc/00/95/50/1066009550.db2.gz PRMLBTJRMVQHAE-UHFFFAOYSA-N 0 0 458.952 4.599 20 30 JJEDRN CC[C@@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1cccc(C(F)(F)F)c1 ZINC001441136485 1066010256 /nfs/dbraw/zinc/01/02/56/1066010256.db2.gz LITSDSSFBQFOSG-LJQANCHMSA-N 0 0 455.484 4.588 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CCCOCC2CCOCC2)c1C ZINC001360874288 1066013130 /nfs/dbraw/zinc/01/31/30/1066013130.db2.gz NTDXXKJLNUQVLY-HSZRJFAPSA-N 0 0 495.668 4.998 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC001441213480 1066015472 /nfs/dbraw/zinc/01/54/72/1066015472.db2.gz ZQEVDCDCYYJDHZ-FXPVBKGRSA-N 0 0 456.374 4.561 20 30 JJEDRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccncc2Cl)c1C ZINC001360875214 1066017197 /nfs/dbraw/zinc/01/71/97/1066017197.db2.gz XSNRZCLTOOZAQA-GAJHUEQPSA-N 0 0 454.937 4.574 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2C1 ZINC001441322072 1066028043 /nfs/dbraw/zinc/02/80/43/1066028043.db2.gz AIFRXCYFVFFEGZ-FQEVSTJZSA-N 0 0 457.534 4.611 20 30 JJEDRN C[C@@H](CCc1ccc(I)cc1)CC(=O)NCc1cc(C#N)ccc1F ZINC001360881308 1066034707 /nfs/dbraw/zinc/03/47/07/1066034707.db2.gz QBLPQZPVOLOJHE-AWEZNQCLSA-N 0 0 450.295 4.577 20 30 JJEDRN CCOC(=O)CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(F)cn1 ZINC001360891409 1066043052 /nfs/dbraw/zinc/04/30/52/1066043052.db2.gz HQVAWULVPXOHCL-UHFFFAOYSA-N 0 0 453.857 4.748 20 30 JJEDRN Cc1nc(CCn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)CC#N)sc1C ZINC001360895720 1066048554 /nfs/dbraw/zinc/04/85/54/1066048554.db2.gz KFHIJOCDPQXISM-NSHDSACASA-N 0 0 465.446 4.824 20 30 JJEDRN Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)sc1C ZINC001360899855 1066053050 /nfs/dbraw/zinc/05/30/50/1066053050.db2.gz SURGMAQVHVBOAX-SJORKVTESA-N 0 0 450.612 4.670 20 30 JJEDRN Cc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)sc1C ZINC001360905639 1066059817 /nfs/dbraw/zinc/05/98/17/1066059817.db2.gz XCQOBWCJJUBIJZ-INIZCTEOSA-N 0 0 450.612 4.723 20 30 JJEDRN Cc1nc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H](C)C#N)sc1C ZINC001360905563 1066059938 /nfs/dbraw/zinc/05/99/38/1066059938.db2.gz UFMMTGRFRMQODT-MRXNPFEDSA-N 0 0 452.628 4.872 20 30 JJEDRN Cc1nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(F)(F)F)CC2)sc1C ZINC001360907540 1066062149 /nfs/dbraw/zinc/06/21/49/1066062149.db2.gz JLHRBTLAMGEHNI-UHFFFAOYSA-N 0 0 475.544 4.559 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)NCc2nc(-c3ccccc3)cs2)nnc1-c1ccco1 ZINC001441712245 1066063773 /nfs/dbraw/zinc/06/37/73/1066063773.db2.gz NWXIHAJUFQBJBE-UHFFFAOYSA-N 0 0 451.577 4.646 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001360908826 1066064473 /nfs/dbraw/zinc/06/44/73/1066064473.db2.gz RKLPWVCNDYYDBX-IAGOWNOFSA-N 0 0 495.653 4.886 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C#N)CC1 ZINC001360913013 1066069747 /nfs/dbraw/zinc/06/97/47/1066069747.db2.gz JSAHFTGRYDMFCV-UHFFFAOYSA-N 0 0 488.821 4.765 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C)(C#N)CC1 ZINC001360916565 1066072171 /nfs/dbraw/zinc/07/21/71/1066072171.db2.gz RIZVADKMAZRRAT-UHFFFAOYSA-N 0 0 488.423 4.958 20 30 JJEDRN Cc1ccsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001360919935 1066075618 /nfs/dbraw/zinc/07/56/18/1066075618.db2.gz GKNGFAIRGNUHQF-KRWDZBQOSA-N 0 0 474.556 4.502 20 30 JJEDRN Cc1ncsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001360920410 1066076720 /nfs/dbraw/zinc/07/67/20/1066076720.db2.gz VMRWOPRXFYCTTJ-UHFFFAOYSA-N 0 0 450.612 4.608 20 30 JJEDRN Cc1ncsc1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1 ZINC001360922917 1066078446 /nfs/dbraw/zinc/07/84/46/1066078446.db2.gz GOVJMKCZPIURFH-FQEVSTJZSA-N 0 0 499.685 4.530 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001360925932 1066082264 /nfs/dbraw/zinc/08/22/64/1066082264.db2.gz TZZKPKHLQXRMAX-OAQYLSRUSA-N 0 0 452.511 4.715 20 30 JJEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c1 ZINC001441962850 1066083111 /nfs/dbraw/zinc/08/31/11/1066083111.db2.gz ZRQNWJCBMITRNC-UHFFFAOYSA-N 0 0 459.590 4.782 20 30 JJEDRN N#Cc1ccc(Oc2ccc(NC(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)cc2Cl)cc1 ZINC001441994726 1066084415 /nfs/dbraw/zinc/08/44/15/1066084415.db2.gz QVMRQNWPMXIWGE-IAGOWNOFSA-N 0 0 454.832 4.926 20 30 JJEDRN N#Cc1ccc(Oc2ccc(NC(=O)[C@H](C[C@H]3COCCO3)C(F)(F)F)cc2Cl)cc1 ZINC001441994728 1066084480 /nfs/dbraw/zinc/08/44/80/1066084480.db2.gz QVMRQNWPMXIWGE-IRXDYDNUSA-N 0 0 454.832 4.926 20 30 JJEDRN Cc1c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cscc2C(F)(F)F)cnn1C ZINC001360934501 1066091927 /nfs/dbraw/zinc/09/19/27/1066091927.db2.gz ARCHYVAHBFBDKL-UHFFFAOYSA-N 0 0 471.512 4.624 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001360934565 1066092528 /nfs/dbraw/zinc/09/25/28/1066092528.db2.gz DOEBSMMLFXHROI-IRLDBZIGSA-N 0 0 450.612 4.669 20 30 JJEDRN Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360934788 1066093655 /nfs/dbraw/zinc/09/36/55/1066093655.db2.gz LSTQXQUAYQTIFP-UHFFFAOYSA-N 0 0 464.570 4.658 20 30 JJEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001360935278 1066094709 /nfs/dbraw/zinc/09/47/09/1066094709.db2.gz ZVVRCWPEOCTVJM-UWJYYQICSA-N 0 0 450.612 4.813 20 30 JJEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)Cc1ccc(Br)cc1C#N ZINC001442254239 1066108957 /nfs/dbraw/zinc/10/89/57/1066108957.db2.gz DDJGMKQDBIHVEL-UHFFFAOYSA-N 0 0 451.368 4.633 20 30 JJEDRN Cc1c(Cn2c(C(C)C)nnc2N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)cnn1CC(C)C ZINC001360952270 1066109654 /nfs/dbraw/zinc/10/96/54/1066109654.db2.gz BEVMEQNGDOMHQY-DEOSSOPVSA-N 0 0 459.642 4.942 20 30 JJEDRN Cc1c(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H](C)C#N)oc2ccc(F)cc12 ZINC001360957807 1066114621 /nfs/dbraw/zinc/11/46/21/1066114621.db2.gz BQBHVVFTUYELGO-GFCCVEGCSA-N 0 0 471.334 4.874 20 30 JJEDRN Cc1ccsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC001360960408 1066119076 /nfs/dbraw/zinc/11/90/76/1066119076.db2.gz LSGLDFXMFSNXQX-GOSISDBHSA-N 0 0 491.621 4.988 20 30 JJEDRN Cc1nnsc1Cn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CCC(C)C ZINC001360960673 1066120112 /nfs/dbraw/zinc/12/01/12/1066120112.db2.gz VOHDZLKDNGYZHD-UHFFFAOYSA-N 0 0 492.422 4.821 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001360964745 1066124015 /nfs/dbraw/zinc/12/40/15/1066124015.db2.gz YTDCQGHTKXEMIY-IDISGSTGSA-N 0 0 455.558 4.678 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1F ZINC001360969465 1066126572 /nfs/dbraw/zinc/12/65/72/1066126572.db2.gz SNQYJCWLBIICPN-UHFFFAOYSA-N 0 0 453.420 4.917 20 30 JJEDRN Cc1nccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC#N ZINC001360987065 1066156682 /nfs/dbraw/zinc/15/66/82/1066156682.db2.gz ROAWXAOLYWRAHM-ROUUACIJSA-N 0 0 455.994 4.632 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001360989202 1066159802 /nfs/dbraw/zinc/15/98/02/1066159802.db2.gz AQIKGMKXJXNSDQ-PIJWYQRNSA-N 0 0 490.073 4.730 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)C(C)C ZINC001360989768 1066163488 /nfs/dbraw/zinc/16/34/88/1066163488.db2.gz KLMIWRQLYBRKIA-LJQANCHMSA-N 0 0 487.048 4.591 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1nccs1 ZINC001360990184 1066166298 /nfs/dbraw/zinc/16/62/98/1066166298.db2.gz QRYKQLNHJSDFCE-MRXNPFEDSA-N 0 0 457.003 4.933 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cn[nH]c1 ZINC001360990497 1066167935 /nfs/dbraw/zinc/16/79/35/1066167935.db2.gz WKFQBBHKCKODDI-MHECFPHRSA-N 0 0 468.005 4.784 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCOC[C@@H]1C ZINC001360990530 1066167946 /nfs/dbraw/zinc/16/79/46/1066167946.db2.gz WWTGVFNXXHYSEH-LUCIHVKJSA-N 0 0 475.996 4.803 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)c(C)o1 ZINC001360998243 1066177488 /nfs/dbraw/zinc/17/74/88/1066177488.db2.gz XSJURFBZLLQFDU-RRWZXMNXSA-N 0 0 481.572 4.805 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)c2)nc1 ZINC001361005298 1066183539 /nfs/dbraw/zinc/18/35/39/1066183539.db2.gz HZKOQTBBDHRPME-HNNXBMFYSA-N 0 0 450.857 4.530 20 30 JJEDRN Cc1cccc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)c1 ZINC001361004996 1066183578 /nfs/dbraw/zinc/18/35/78/1066183578.db2.gz WUVIAPAICKLGTA-SJORKVTESA-N 0 0 455.404 4.754 20 30 JJEDRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)no2)c1 ZINC001361005563 1066184159 /nfs/dbraw/zinc/18/41/59/1066184159.db2.gz UFLPDWRRMUONSE-UHFFFAOYSA-N 0 0 454.442 4.767 20 30 JJEDRN Cc1cccc([C@@H](C)Cn2c(N3CCC(CC#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361007288 1066186435 /nfs/dbraw/zinc/18/64/35/1066186435.db2.gz IDFXENUWUCRWDZ-HFZDXXHNSA-N 0 0 451.615 4.561 20 30 JJEDRN Cc1cc(C)cc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 ZINC001361017144 1066205681 /nfs/dbraw/zinc/20/56/81/1066205681.db2.gz KNAIALBFOHFWHY-LVXARBLLSA-N 0 0 482.604 4.652 20 30 JJEDRN N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3=O)c2)c1 ZINC001361020427 1066210580 /nfs/dbraw/zinc/21/05/80/1066210580.db2.gz VYHPOFAWKVKHLS-HSZRJFAPSA-N 0 0 459.933 4.716 20 30 JJEDRN N#Cc1cc(Cl)c(C(=O)Nc2nc3cc(I)ccc3[nH]2)c(Cl)c1 ZINC001453964298 1066226426 /nfs/dbraw/zinc/22/64/26/1066226426.db2.gz WIBBLXPFVHOPAC-UHFFFAOYSA-N 0 0 457.058 4.598 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361028083 1066231941 /nfs/dbraw/zinc/23/19/41/1066231941.db2.gz GFNLFHDCYXQBLX-QFIPXVFZSA-N 0 0 494.640 4.613 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccncc2Cl)c1 ZINC001361028486 1066233102 /nfs/dbraw/zinc/23/31/02/1066233102.db2.gz JWDAVRVFSJUAEX-UHFFFAOYSA-N 0 0 450.974 4.701 20 30 JJEDRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)O1 ZINC001546057882 1066244702 /nfs/dbraw/zinc/24/47/02/1066244702.db2.gz YEBSYGFQCZZQEZ-REWPJTCUSA-N 0 0 459.541 4.558 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(OCc4cccc(F)c4)cc3)[nH]n2)c1C ZINC001443039423 1066257477 /nfs/dbraw/zinc/25/74/77/1066257477.db2.gz DODDDWINSSZDES-UHFFFAOYSA-N 0 0 459.525 4.724 20 30 JJEDRN Cc1cc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@]2(C)COCCO2)c(C)n1-c1ccccc1 ZINC001361048409 1066277881 /nfs/dbraw/zinc/27/78/81/1066277881.db2.gz BMKSBWIONNQHTL-MUUNZHRXSA-N 0 0 490.652 4.924 20 30 JJEDRN CCOc1ccc(N(CCC#N)C(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001443250181 1066284242 /nfs/dbraw/zinc/28/42/42/1066284242.db2.gz GDQDQLJXJHAPTN-OAQYLSRUSA-N 0 0 451.567 4.858 20 30 JJEDRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N1CCc2c(CC#N)cccc2C1 ZINC001454471260 1066287718 /nfs/dbraw/zinc/28/77/18/1066287718.db2.gz WJIPOPKQHPASOK-UHFFFAOYSA-N 0 0 451.452 4.812 20 30 JJEDRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N)Oc1cccc(F)c1 ZINC001545957041 1066295662 /nfs/dbraw/zinc/29/56/62/1066295662.db2.gz NTHOAWLTHAXJAJ-MAUKXSAKSA-N 0 0 489.393 4.639 20 30 JJEDRN COc1ccccc1[C@@H]1CCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N ZINC001443356182 1066300008 /nfs/dbraw/zinc/30/00/08/1066300008.db2.gz FPALDERNCNVTFJ-ZZWQLHQSSA-N 0 0 453.583 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Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1CCCCO1 ZINC001361088264 1066330186 /nfs/dbraw/zinc/33/01/86/1066330186.db2.gz GWJOTAIQEPPXBM-QFIPXVFZSA-N 0 0 472.033 4.951 20 30 JJEDRN Cc1ccc(CCCCC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC001443668926 1066346613 /nfs/dbraw/zinc/34/66/13/1066346613.db2.gz OUOUGPYNGLIPSC-HSZRJFAPSA-N 0 0 454.412 4.879 20 30 JJEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCc3c2cccc3Cl)CC1 ZINC001443669472 1066346742 /nfs/dbraw/zinc/34/67/42/1066346742.db2.gz QBLQKSSRVBQKMF-TZIWHRDSSA-N 0 0 458.787 4.541 20 30 JJEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCc3c2cccc3Cl)CC1 ZINC001443669464 1066346765 /nfs/dbraw/zinc/34/67/65/1066346765.db2.gz QBLQKSSRVBQKMF-PZJWPPBQSA-N 0 0 458.787 4.541 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC001545961263 1066354244 /nfs/dbraw/zinc/35/42/44/1066354244.db2.gz ROBOGHIJIOCYMT-KBPBESRZSA-N 0 0 497.463 4.811 20 30 JJEDRN COc1cccc([C@H](C)N2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)c1 ZINC001443726189 1066358072 /nfs/dbraw/zinc/35/80/72/1066358072.db2.gz FGHTUNYDXLKKME-NRFANRHFSA-N 0 0 455.558 4.665 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC001455102145 1066361134 /nfs/dbraw/zinc/36/11/34/1066361134.db2.gz MJQFPVYKZNPUGD-SANMLTNESA-N 0 0 457.615 4.897 20 30 JJEDRN Cc1cc2cc(Cn3c(-c4cc(Br)c[nH]4)nnc3N(C)[C@@H](C)CC#N)ccc2[nH]1 ZINC001361113870 1066364779 /nfs/dbraw/zinc/36/47/79/1066364779.db2.gz VVESWDOLLXAOQO-AWEZNQCLSA-N 0 0 452.360 4.612 20 30 JJEDRN C#CCCOc1ccc(C(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)cc1 ZINC001455153763 1066365638 /nfs/dbraw/zinc/36/56/38/1066365638.db2.gz LRUDDMMDTVFIAJ-HSZRJFAPSA-N 0 0 452.595 4.731 20 30 JJEDRN O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2n[nH]cc2C1 ZINC001546069885 1066369322 /nfs/dbraw/zinc/36/93/22/1066369322.db2.gz YEPJJRZVOSCEBN-RMLUDKJBSA-N 0 0 459.312 4.972 20 30 JJEDRN CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001443828200 1066372844 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QGGNAIGCSUAEDI-PLNGDYQASA-N 0 0 451.301 4.761 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(CCC#N)CC1CC1)NC(=O)OC(C)(C)C ZINC001545966421 1066435279 /nfs/dbraw/zinc/43/52/79/1066435279.db2.gz DHXAVDULHFUSKN-OAQYLSRUSA-N 0 0 489.624 4.927 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361149403 1066439322 /nfs/dbraw/zinc/43/93/22/1066439322.db2.gz UJCHLHDUVJSBDG-IUTQVRIDSA-N 0 0 451.615 4.808 20 30 JJEDRN Cc1cccc(O[C@H](C)CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 ZINC001444268565 1066439651 /nfs/dbraw/zinc/43/96/51/1066439651.db2.gz VXMBJFYAYJSNCQ-LJQANCHMSA-N 0 0 459.571 4.795 20 30 JJEDRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC001444386110 1066456752 /nfs/dbraw/zinc/45/67/52/1066456752.db2.gz HMDQZWTZCYCMTI-XIKOKIGWSA-N 0 0 456.365 4.664 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 ZINC001455951654 1066458898 /nfs/dbraw/zinc/45/88/98/1066458898.db2.gz ZIUOXALIZQIJIG-JOCHJYFZSA-N 0 0 453.929 4.779 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(c4cccs4)CCCCC3)C2)C1 ZINC001444467942 1066463228 /nfs/dbraw/zinc/46/32/28/1066463228.db2.gz COCMFXDDPZOYMT-CSKUQDPHSA-N 0 0 457.640 4.853 20 30 JJEDRN COc1ccc([C@@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2ccccc2Cl)cc1 ZINC001444475136 1066464469 /nfs/dbraw/zinc/46/44/69/1066464469.db2.gz CTIYLJXYHJJVTH-RUZDIDTESA-N 0 0 450.970 4.914 20 30 JJEDRN COc1cc(CCc2cc(NC(=O)c3cn(CCCC#N)c4ccccc34)n[nH]2)cc(OC)c1 ZINC001444601449 1066480155 /nfs/dbraw/zinc/48/01/55/1066480155.db2.gz KZQDWWLWWSKOQD-UHFFFAOYSA-N 0 0 457.534 4.723 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCN(C)CC(F)(F)F)cc1Br ZINC001361170646 1066485813 /nfs/dbraw/zinc/48/58/13/1066485813.db2.gz PJVNCJURSPOWNV-OAHLLOKOSA-N 0 0 487.368 4.639 20 30 JJEDRN CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545968309 1066487488 /nfs/dbraw/zinc/48/74/88/1066487488.db2.gz CBHFSZLGACTOQS-NHCUHLMSSA-N 0 0 452.603 4.602 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@](C)(O)CCC(C)C)cc1Br ZINC001361175222 1066492763 /nfs/dbraw/zinc/49/27/63/1066492763.db2.gz GWQRZFXEMMXTFR-ZHRRBRCNSA-N 0 0 462.436 4.799 20 30 JJEDRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC001456050953 1066493429 /nfs/dbraw/zinc/49/34/29/1066493429.db2.gz NFWGFPYNSCUAGF-XMMPIXPASA-N 0 0 457.555 4.600 20 30 JJEDRN C=CCSc1ccccc1C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001444687647 1066493590 /nfs/dbraw/zinc/49/35/90/1066493590.db2.gz UJXVSSNBTAYYIX-GOSISDBHSA-N 0 0 459.011 4.678 20 30 JJEDRN Cc1cc(CC(C)(C)C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)ccc1Br ZINC001456067555 1066500757 /nfs/dbraw/zinc/50/07/57/1066500757.db2.gz XLYZOZRZROTLOM-LJQANCHMSA-N 0 0 455.400 4.696 20 30 JJEDRN CC1(C(=O)N2CC[C@@H](COCc3ccccc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001444808745 1066507489 /nfs/dbraw/zinc/50/74/89/1066507489.db2.gz WZYILUTUJDJDBQ-OAQYLSRUSA-N 0 0 451.998 4.883 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1F ZINC001444882125 1066515818 /nfs/dbraw/zinc/51/58/18/1066515818.db2.gz OPNBTENKSIQOAB-UHFFFAOYSA-N 0 0 453.451 4.735 20 30 JJEDRN Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2CCc2cn[nH]c2)cc1Br ZINC001361191337 1066517843 /nfs/dbraw/zinc/51/78/43/1066517843.db2.gz PJHVSYOOKFLHGA-UHFFFAOYSA-N 0 0 470.419 4.748 20 30 JJEDRN N#Cc1cc(NC(=O)c2sccc2-n2cnnn2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001444932349 1066518807 /nfs/dbraw/zinc/51/88/07/1066518807.db2.gz HDWBAASZPXHIJK-UHFFFAOYSA-N 0 0 456.409 4.659 20 30 JJEDRN COc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)s2)c(F)c1 ZINC001456156748 1066524999 /nfs/dbraw/zinc/52/49/99/1066524999.db2.gz SWZOHDCSUVYRNZ-UHFFFAOYSA-N 0 0 451.523 4.822 20 30 JJEDRN Cc1nccn1CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C#N)CC1 ZINC001361198111 1066526277 /nfs/dbraw/zinc/52/62/77/1066526277.db2.gz JEMXZXGYOYOLBF-UHFFFAOYSA-N 0 0 482.430 4.741 20 30 JJEDRN COC(=O)CCSCc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 ZINC001456177484 1066529888 /nfs/dbraw/zinc/52/98/88/1066529888.db2.gz ZAAVHDKBTIBVBG-UHFFFAOYSA-N 0 0 450.516 4.779 20 30 JJEDRN C=CC[C@]1(C(=O)NCCc2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C ZINC001456193974 1066534371 /nfs/dbraw/zinc/53/43/71/1066534371.db2.gz NCVNYLVXUIKBMW-OAQYLSRUSA-N 0 0 455.368 4.593 20 30 JJEDRN CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456199195 1066535685 /nfs/dbraw/zinc/53/56/85/1066535685.db2.gz CHOKHEJCCRXLEM-PIIWDFAUSA-N 0 0 459.634 4.730 20 30 JJEDRN Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2C[C@H](F)C2)cc1Br ZINC001361205592 1066537317 /nfs/dbraw/zinc/53/73/17/1066537317.db2.gz MJCJTEKLGLNAIL-AKCHCHLHSA-N 0 0 450.331 4.596 20 30 JJEDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)s1 ZINC001445094949 1066539300 /nfs/dbraw/zinc/53/93/00/1066539300.db2.gz VIOQPIKDKGAIOS-KRWDZBQOSA-N 0 0 452.454 4.648 20 30 JJEDRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)cs1 ZINC001445209232 1066544755 /nfs/dbraw/zinc/54/47/55/1066544755.db2.gz CDHKRUSDQKEBOG-NRFANRHFSA-N 0 0 459.615 4.598 20 30 JJEDRN CO[C@H](C)c1nc(CN2CCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)cs1 ZINC001445209243 1066544775 /nfs/dbraw/zinc/54/47/75/1066544775.db2.gz CDHKRUSDQKEBOG-OAQYLSRUSA-N 0 0 459.615 4.598 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(F)cn2)cc1Br ZINC001361211987 1066546527 /nfs/dbraw/zinc/54/65/27/1066546527.db2.gz FHLUOBVRPZPFRT-QFIPXVFZSA-N 0 0 469.362 4.729 20 30 JJEDRN N#CCCN(C(=O)CCC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccccc1 ZINC001456259758 1066548368 /nfs/dbraw/zinc/54/83/68/1066548368.db2.gz ZFFGGQQUBXNUKE-UHFFFAOYSA-N 0 0 451.592 4.764 20 30 JJEDRN N#Cc1cccnc1NCc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC001445250484 1066549117 /nfs/dbraw/zinc/54/91/17/1066549117.db2.gz YVBWTMQDGREKBP-XMMPIXPASA-N 0 0 452.514 4.534 20 30 JJEDRN N#C[C@H]1CN(C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CCN1Cc1ccccc1 ZINC001456275362 1066552709 /nfs/dbraw/zinc/55/27/09/1066552709.db2.gz NHFZZRLLRWUIDI-VWLOTQADSA-N 0 0 459.977 4.698 20 30 JJEDRN O=C(c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001456275216 1066552907 /nfs/dbraw/zinc/55/29/07/1066552907.db2.gz DKKMCQKBOMZBGL-UHFFFAOYSA-N 0 0 459.312 4.907 20 30 JJEDRN C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)C(=O)CNC(=O)c2ccc(C#N)cc2)[C@H]1C ZINC001445294156 1066555042 /nfs/dbraw/zinc/55/50/42/1066555042.db2.gz QULDCGPXVONFLD-DGGJZMOXSA-N 0 0 455.961 4.934 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)ccc1OC ZINC001456287562 1066555748 /nfs/dbraw/zinc/55/57/48/1066555748.db2.gz CARSIGQDMTZJLX-GOSISDBHSA-N 0 0 451.910 4.727 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cn2c3ccccc3nc2-c2ccccc2)ccc1OC ZINC001456294552 1066556708 /nfs/dbraw/zinc/55/67/08/1066556708.db2.gz ROURLJVCXFNCRV-OAQYLSRUSA-N 0 0 454.530 4.709 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2Cc2c(F)cc(F)c(F)c2F)o1 ZINC001361220952 1066558854 /nfs/dbraw/zinc/55/88/54/1066558854.db2.gz JSLPZSNAYTXYFI-GFCCVEGCSA-N 0 0 491.411 4.524 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)ccc1OC ZINC001456307900 1066560052 /nfs/dbraw/zinc/56/00/52/1066560052.db2.gz VWJAHKSXVLPCOM-JOCHJYFZSA-N 0 0 457.530 4.867 20 30 JJEDRN C#CCOc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1 ZINC001456313398 1066560771 /nfs/dbraw/zinc/56/07/71/1066560771.db2.gz DBTOZMPFEXQZCT-UHFFFAOYSA-N 0 0 458.518 4.816 20 30 JJEDRN C#CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 ZINC001456315048 1066561166 /nfs/dbraw/zinc/56/11/66/1066561166.db2.gz PHJYNJKUCPCGQR-UHFFFAOYSA-N 0 0 458.518 4.816 20 30 JJEDRN C[C@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001445435406 1066570972 /nfs/dbraw/zinc/57/09/72/1066570972.db2.gz JHFLCXZZIDSWPZ-IEBWSBKVSA-N 0 0 452.517 4.846 20 30 JJEDRN C[C@@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001445435404 1066571078 /nfs/dbraw/zinc/57/10/78/1066571078.db2.gz JHFLCXZZIDSWPZ-HKUYNNGSSA-N 0 0 452.517 4.846 20 30 JJEDRN N#CCC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 ZINC001545976130 1066580797 /nfs/dbraw/zinc/58/07/97/1066580797.db2.gz HCMVDTPMWLNFMU-QFIPXVFZSA-N 0 0 453.951 4.916 20 30 JJEDRN N#CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 ZINC001545976129 1066580855 /nfs/dbraw/zinc/58/08/55/1066580855.db2.gz HCMVDTPMWLNFMU-JOCHJYFZSA-N 0 0 453.951 4.916 20 30 JJEDRN Cc1ccc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H](C)C#N)c(C)c1 ZINC001361245127 1066587113 /nfs/dbraw/zinc/58/71/13/1066587113.db2.gz FPALWIYRTLTSHV-UGKGYDQZSA-N 0 0 466.630 4.806 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1 ZINC001456449788 1066590024 /nfs/dbraw/zinc/59/00/24/1066590024.db2.gz ANXJHYANJANCSR-LJQANCHMSA-N 0 0 451.502 4.895 20 30 JJEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1C ZINC001445578723 1066590012 /nfs/dbraw/zinc/59/00/12/1066590012.db2.gz BGVZQVUZZVHYAX-UHFFFAOYSA-N 0 0 451.530 4.543 20 30 JJEDRN C#CCN(C(=O)COc1ccc2c(c1)CCCC2)[C@H]1CCOc2ccc(Br)cc21 ZINC001456451657 1066590614 /nfs/dbraw/zinc/59/06/14/1066590614.db2.gz UNBKJUXZOGUHIT-QFIPXVFZSA-N 0 0 454.364 4.692 20 30 JJEDRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(CC#N)ccn1 ZINC001445588039 1066592050 /nfs/dbraw/zinc/59/20/50/1066592050.db2.gz ZEAQWKZZGARZQE-MHZLTWQESA-N 0 0 454.530 4.794 20 30 JJEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC001445635056 1066596930 /nfs/dbraw/zinc/59/69/30/1066596930.db2.gz YIWGWYRXJUEMGV-TZIWHRDSSA-N 0 0 452.894 4.562 20 30 JJEDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1 ZINC001445702891 1066606471 /nfs/dbraw/zinc/60/64/71/1066606471.db2.gz OGURFPPNWQGCFO-HNNXBMFYSA-N 0 0 451.596 4.917 20 30 JJEDRN CN(Cc1cccc(Cl)c1Cl)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N ZINC001445720668 1066611167 /nfs/dbraw/zinc/61/11/67/1066611167.db2.gz PZBYBMURBOPFRT-BXFSZVDSSA-N 0 0 452.382 4.739 20 30 JJEDRN COc1ccccc1[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1noc(C)n1 ZINC001456521720 1066611597 /nfs/dbraw/zinc/61/15/97/1066611597.db2.gz ZQKXWAZKILJBLD-XMMPIXPASA-N 0 0 454.486 4.878 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCC[C@H]3c3ccc(F)cc3F)C2)C1 ZINC001445774843 1066615147 /nfs/dbraw/zinc/61/51/47/1066615147.db2.gz BRLJESBXYQLDTN-RHZOLEHHSA-N 0 0 459.537 4.805 20 30 JJEDRN CCCN(CC)c1ccc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC001456583498 1066632146 /nfs/dbraw/zinc/63/21/46/1066632146.db2.gz DUFWJPGQGBNGOP-CHWSQXEVSA-N 0 0 459.381 4.561 20 30 JJEDRN Cc1ccc(C(=O)CCC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1C ZINC001456586845 1066633691 /nfs/dbraw/zinc/63/36/91/1066633691.db2.gz JWUXNJJSZFAUTN-KBPBESRZSA-N 0 0 457.361 4.896 20 30 JJEDRN N#Cc1cc(NC(=O)c2ccc3scc(Br)c3c2)ccc1N1CCC(O)CC1 ZINC001446022072 1066647143 /nfs/dbraw/zinc/64/71/43/1066647143.db2.gz JDDJKDJSBAQVOD-UHFFFAOYSA-N 0 0 456.365 4.749 20 30 JJEDRN Cc1cccnc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H](C)CC#N ZINC001492605304 1066662567 /nfs/dbraw/zinc/66/25/67/1066662567.db2.gz XWDGSCGETAMFND-CQSZACIVSA-N 0 0 459.779 4.851 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)N[C@@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc1OC ZINC001456813087 1066699177 /nfs/dbraw/zinc/69/91/77/1066699177.db2.gz MLHBLCQCUJGDLL-BQEXRTDESA-N 0 0 451.563 4.991 20 30 JJEDRN Cc1cn2c(n1)[C@H](Cn1c([C@@H](C)Oc3cccc(C)c3C)nnc1N(C)[C@@H](C)CC#N)CCC2 ZINC001492628471 1066700191 /nfs/dbraw/zinc/70/01/91/1066700191.db2.gz GIKTYDRGJDYPQK-NNWRFLSQSA-N 0 0 461.614 4.856 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)s1 ZINC001492629657 1066701986 /nfs/dbraw/zinc/70/19/86/1066701986.db2.gz FWKQRHFCZFZUKO-DOTOQJQBSA-N 0 0 454.575 4.866 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC001492631264 1066707877 /nfs/dbraw/zinc/70/78/77/1066707877.db2.gz IGKDHQLVZCCYLY-SFHVURJKSA-N 0 0 464.639 4.965 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H](C)CC#N)s1 ZINC001492631860 1066709092 /nfs/dbraw/zinc/70/90/92/1066709092.db2.gz SHJSSNJUOOATDX-SJORKVTESA-N 0 0 487.674 4.700 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)s1 ZINC001492633127 1066713050 /nfs/dbraw/zinc/71/30/50/1066713050.db2.gz VDEXEQCDGVIVLU-WAIKUNEKSA-N 0 0 454.575 4.695 20 30 JJEDRN C=CC[S@@](=O)(=NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)c1ccccc1 ZINC001456900637 1066717287 /nfs/dbraw/zinc/71/72/87/1066717287.db2.gz ZVLAHMUPAZDRRB-YTTGMZPUSA-N 0 0 453.608 4.881 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)n1 ZINC001492636798 1066722132 /nfs/dbraw/zinc/72/21/32/1066722132.db2.gz GFLZGPLQBWFFTK-CQSZACIVSA-N 0 0 488.539 4.733 20 30 JJEDRN C[C@@]1(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC(c2cccc(Cl)c2F)=NO1 ZINC001446669050 1066730868 /nfs/dbraw/zinc/73/08/68/1066730868.db2.gz CUCRAIDTVXQIGL-NRFANRHFSA-N 0 0 458.280 4.712 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)n1 ZINC001492640426 1066731298 /nfs/dbraw/zinc/73/12/98/1066731298.db2.gz ZEPLLIGCZVRYQM-MAUKXSAKSA-N 0 0 472.565 4.779 20 30 JJEDRN O=C(N[C@H](CO)CC(F)(F)F)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 ZINC001446745506 1066735395 /nfs/dbraw/zinc/73/53/95/1066735395.db2.gz HWYSBAPHQMKZLH-GULXMPTCSA-N 0 0 455.361 4.538 20 30 JJEDRN Cc1csc(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC001492643655 1066737299 /nfs/dbraw/zinc/73/72/99/1066737299.db2.gz PVTNVTDGCXCYIH-KDURUIRLSA-N 0 0 482.679 4.847 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccccc1 ZINC001446790243 1066739630 /nfs/dbraw/zinc/73/96/30/1066739630.db2.gz OLRBUGWGDKUEPR-FQEVSTJZSA-N 0 0 451.914 4.602 20 30 JJEDRN Cc1csc(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@H]2C)n1 ZINC001492644336 1066741633 /nfs/dbraw/zinc/74/16/33/1066741633.db2.gz KPEPDIVBNBYLDQ-GOSISDBHSA-N 0 0 450.612 4.608 20 30 JJEDRN Cc1csc(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001492644301 1066741693 /nfs/dbraw/zinc/74/16/93/1066741693.db2.gz ZRDIIOWRPWYTHM-JOCHJYFZSA-N 0 0 494.665 4.768 20 30 JJEDRN C#Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)cc1 ZINC001457014404 1066742846 /nfs/dbraw/zinc/74/28/46/1066742846.db2.gz GJYVTYOSFOJDDC-UHFFFAOYSA-N 0 0 454.555 4.867 20 30 JJEDRN C[C@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001457015232 1066743396 /nfs/dbraw/zinc/74/33/96/1066743396.db2.gz RPGZTAXDAAAANG-OAHLLOKOSA-N 0 0 456.470 4.820 20 30 JJEDRN Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(OC(F)F)c2)c1 ZINC001492646013 1066748589 /nfs/dbraw/zinc/74/85/89/1066748589.db2.gz RNGOVWXXZZOIBD-UHFFFAOYSA-N 0 0 466.517 4.868 20 30 JJEDRN Cc1nc(C)c(CCn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@@](F)(C#N)C2)s1 ZINC001492655393 1066766266 /nfs/dbraw/zinc/76/62/66/1066766266.db2.gz PRRAAGXIVPYIRY-HXUWFJFHSA-N 0 0 493.381 4.605 20 30 JJEDRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)n1 ZINC001457145878 1066772597 /nfs/dbraw/zinc/77/25/97/1066772597.db2.gz BYWMUFNDQWNKHA-KRWDZBQOSA-N 0 0 454.486 4.687 20 30 JJEDRN CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 ZINC001545993386 1066781399 /nfs/dbraw/zinc/78/13/99/1066781399.db2.gz WHHPRKDYBSAKFH-TUNNFDKTSA-N 0 0 482.629 4.519 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(Oc3cccnc3)c(F)c2)cs1 ZINC001492665107 1066785690 /nfs/dbraw/zinc/78/56/90/1066785690.db2.gz XINGSRQFOZAALU-INIZCTEOSA-N 0 0 477.569 4.604 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ccc(Cl)s2)cs1 ZINC001492665926 1066788335 /nfs/dbraw/zinc/78/83/35/1066788335.db2.gz XGOBMZYAFMHGGH-UHFFFAOYSA-N 0 0 455.012 4.905 20 30 JJEDRN CC[C@H](Cn1c(CC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545994756 1066795993 /nfs/dbraw/zinc/79/59/93/1066795993.db2.gz FMSZNJROXYRARQ-HSZRJFAPSA-N 0 0 478.641 4.945 20 30 JJEDRN Cc1ccc(C#N)cc1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC001457266915 1066799574 /nfs/dbraw/zinc/79/95/74/1066799574.db2.gz OYHADWBRPINTBN-UHFFFAOYSA-N 0 0 455.543 4.757 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)cc21 ZINC001457269159 1066800866 /nfs/dbraw/zinc/80/08/66/1066800866.db2.gz VILWHQHGEIZYPS-SFHVURJKSA-N 0 0 451.571 4.707 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](C)Sc2ccccc2)cs1 ZINC001492673455 1066806702 /nfs/dbraw/zinc/80/67/02/1066806702.db2.gz UJJYGHDKJKJBDQ-QGZVFWFLSA-N 0 0 452.653 4.945 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(OCC(F)(F)F)c2)cs1 ZINC001492674293 1066808633 /nfs/dbraw/zinc/80/86/33/1066808633.db2.gz PEWWABRKUBLFAB-UHFFFAOYSA-N 0 0 490.555 4.753 20 30 JJEDRN CC[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)Oc1ccccc1C(F)(F)F ZINC001457341319 1066813021 /nfs/dbraw/zinc/81/30/21/1066813021.db2.gz OLCLGGXKIMOLBC-MRXNPFEDSA-N 0 0 455.274 4.856 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492676407 1066813183 /nfs/dbraw/zinc/81/31/83/1066813183.db2.gz DXRINFDMQUCFEB-JOCHJYFZSA-N 0 0 476.528 4.553 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCCC(C)(C)C)cs1 ZINC001492680135 1066822512 /nfs/dbraw/zinc/82/25/12/1066822512.db2.gz BHHDLPCQUUMJCM-UHFFFAOYSA-N 0 0 481.645 4.798 20 30 JJEDRN N#Cc1cc(F)ccc1NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001457402771 1066823058 /nfs/dbraw/zinc/82/30/58/1066823058.db2.gz XAMOXSUEKMTSKC-UHFFFAOYSA-N 0 0 457.383 4.986 20 30 JJEDRN COc1cc(C#N)ccc1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447578319 1066824748 /nfs/dbraw/zinc/82/47/48/1066824748.db2.gz NMYAMPVPEMCOIM-QFIPXVFZSA-N 0 0 454.448 4.962 20 30 JJEDRN CCOc1cc(Br)c(CC(=O)N(C)c2cc(Cl)ccc2C#N)cc1OCC ZINC001457411748 1066824815 /nfs/dbraw/zinc/82/48/15/1066824815.db2.gz XWIJZHJKZSMBAQ-UHFFFAOYSA-N 0 0 451.748 4.977 20 30 JJEDRN O=C(Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001457448200 1066833048 /nfs/dbraw/zinc/83/30/48/1066833048.db2.gz UTPNWRCYWVDRKQ-UHFFFAOYSA-N 0 0 454.273 4.943 20 30 JJEDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001457469715 1066837893 /nfs/dbraw/zinc/83/78/93/1066837893.db2.gz UMGWBZXGNNHSNP-UHFFFAOYSA-N 0 0 451.567 4.760 20 30 JJEDRN C=CCCN(OCc1ccccc1)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001447754294 1066853736 /nfs/dbraw/zinc/85/37/36/1066853736.db2.gz KDJIUPXPVCGBSG-UHFFFAOYSA-N 0 0 455.555 4.939 20 30 JJEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001457536092 1066854417 /nfs/dbraw/zinc/85/44/17/1066854417.db2.gz RWAKRXMVLZIIAZ-HXUWFJFHSA-N 0 0 455.583 4.992 20 30 JJEDRN Cc1ncc(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(CCC#N)CCC(C)C)s1 ZINC001492700020 1066855529 /nfs/dbraw/zinc/85/55/29/1066855529.db2.gz AUBSMQDFSOKXMC-UHFFFAOYSA-N 0 0 460.611 4.915 20 30 JJEDRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@](C)(C#N)C2)s1 ZINC001492700503 1066856629 /nfs/dbraw/zinc/85/66/29/1066856629.db2.gz OLWKIEWTZHFSKY-SFHVURJKSA-N 0 0 463.430 4.712 20 30 JJEDRN N#Cc1cc(Cl)c(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c(Cl)c1 ZINC001447851800 1066870328 /nfs/dbraw/zinc/87/03/28/1066870328.db2.gz CKHCMDQKUCETLS-INIZCTEOSA-N 0 0 458.114 4.980 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(I)ccc1C ZINC001447861525 1066870938 /nfs/dbraw/zinc/87/09/38/1066870938.db2.gz BTCOGRKNJSYDJX-UHFFFAOYSA-N 0 0 459.287 4.602 20 30 JJEDRN C=CC[C@]1(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCCN1C(=O)OC(C)(C)C ZINC001447903602 1066874750 /nfs/dbraw/zinc/87/47/50/1066874750.db2.gz MLUKVWMYHBSNIT-AUSIDOKSSA-N 0 0 452.954 4.725 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(NCCc4ccccc4)cc3)CC2=O)cc1Cl ZINC001457600852 1066875392 /nfs/dbraw/zinc/87/53/92/1066875392.db2.gz KIAAOTZKRZHWSU-HXUWFJFHSA-N 0 0 458.949 4.858 20 30 JJEDRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001492730038 1066900402 /nfs/dbraw/zinc/90/04/02/1066900402.db2.gz OTLJCFJGAAJCEE-RPLLCQBOSA-N 0 0 475.641 4.659 20 30 JJEDRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC001546003076 1066904450 /nfs/dbraw/zinc/90/44/50/1066904450.db2.gz CNAYBDNIEFBAGZ-NRFANRHFSA-N 0 0 480.638 4.742 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)n1 ZINC001492736167 1066910853 /nfs/dbraw/zinc/91/08/53/1066910853.db2.gz WWPYZSYFPDVPIH-GOSISDBHSA-N 0 0 459.623 4.588 20 30 JJEDRN CCCc1c(C(=O)O[C@H](C)c2cccc(C#N)c2)nnn1Cc1cccc(Br)c1 ZINC001457764260 1066913893 /nfs/dbraw/zinc/91/38/93/1066913893.db2.gz UPMLKSCKEQCBHE-OAHLLOKOSA-N 0 0 453.340 4.831 20 30 JJEDRN N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)o1 ZINC001457787872 1066920152 /nfs/dbraw/zinc/92/01/52/1066920152.db2.gz DYDLLUJPQXYIKH-QHCPKHFHSA-N 0 0 458.514 4.557 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CC2CCC(C(F)(F)F)CC2)n1 ZINC001492745190 1066920969 /nfs/dbraw/zinc/92/09/69/1066920969.db2.gz IUUDTNHPUBZBHO-UHFFFAOYSA-N 0 0 463.552 4.639 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](Cc4ccc(C#N)cc4)C3)n2CCC(C)(F)F)n1 ZINC001492748550 1066923031 /nfs/dbraw/zinc/92/30/31/1066923031.db2.gz HZDWLGYNRCQJIJ-QFIPXVFZSA-N 0 0 467.568 4.516 20 30 JJEDRN C[C@](O)(CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1Br ZINC001448450927 1066929011 /nfs/dbraw/zinc/92/90/11/1066929011.db2.gz BDJZDJWFWNNXKS-QHCPKHFHSA-N 0 0 451.320 4.751 20 30 JJEDRN C=CCN(CCC#N)C(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC001457839372 1066931077 /nfs/dbraw/zinc/93/10/77/1066931077.db2.gz XJXVPBNOBJNKEN-UHFFFAOYSA-N 0 0 452.605 4.744 20 30 JJEDRN Cc1cc(C)n(CCCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)[C@@H](C)CC#N)n1 ZINC001492760453 1066932743 /nfs/dbraw/zinc/93/27/43/1066932743.db2.gz GBWNMKUZGUPMOV-KRWDZBQOSA-N 0 0 470.419 4.658 20 30 JJEDRN Cc1cc(C)n(CCCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)[C@H](C)CC#N)n1 ZINC001492760454 1066932786 /nfs/dbraw/zinc/93/27/86/1066932786.db2.gz GBWNMKUZGUPMOV-QGZVFWFLSA-N 0 0 470.419 4.658 20 30 JJEDRN Cc1nnc(CCn2c(-c3cccc4cccnc43)nnc2N(CCC#N)CCC(C)C)s1 ZINC001492770109 1066943533 /nfs/dbraw/zinc/94/35/33/1066943533.db2.gz MINQRZBACPHTEK-UHFFFAOYSA-N 0 0 460.611 4.662 20 30 JJEDRN Cc1nnc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 ZINC001492773995 1066945620 /nfs/dbraw/zinc/94/56/20/1066945620.db2.gz YIPXENISONDLBC-FQEVSTJZSA-N 0 0 460.032 4.562 20 30 JJEDRN Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001492780658 1066947516 /nfs/dbraw/zinc/94/75/16/1066947516.db2.gz WXQGNOXENDSKJG-UHFFFAOYSA-N 0 0 491.411 4.960 20 30 JJEDRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(O)Cc1ccccc1Cl ZINC001457992851 1066953699 /nfs/dbraw/zinc/95/36/99/1066953699.db2.gz LVCXNGDPXIXPBN-MRXNPFEDSA-N 0 0 450.922 4.985 20 30 JJEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)C1=O ZINC001448748850 1066955766 /nfs/dbraw/zinc/95/57/66/1066955766.db2.gz JXWPTWYAYUWMJV-HSZRJFAPSA-N 0 0 458.946 4.843 20 30 JJEDRN O=C(c1ccc(Oc2ccccc2Cl)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O ZINC001458004613 1066955941 /nfs/dbraw/zinc/95/59/41/1066955941.db2.gz WLHSDFUFDSGIBJ-UHFFFAOYSA-N 0 0 450.878 4.650 20 30 JJEDRN Cc1cc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)nn1-c1ccc(Cl)cc1 ZINC001448821709 1066959970 /nfs/dbraw/zinc/95/99/70/1066959970.db2.gz CESOBEODFRAKKH-QFIPXVFZSA-N 0 0 454.361 4.510 20 30 JJEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](OCC2CCCC2)c2ccccc2)CC1 ZINC001448829827 1066960752 /nfs/dbraw/zinc/96/07/52/1066960752.db2.gz MWWRMFLNWOAYJJ-JWQCQUIFSA-N 0 0 451.998 4.997 20 30 JJEDRN C#CCn1ccc(CN(CC)C(=O)c2cccc(OCc3ccccc3Br)c2)n1 ZINC001448863917 1066965209 /nfs/dbraw/zinc/96/52/09/1066965209.db2.gz YELSMSZHRIQVEJ-UHFFFAOYSA-N 0 0 452.352 4.520 20 30 JJEDRN COC(=O)c1ccc(N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)c(C#N)n1 ZINC001458075746 1066968146 /nfs/dbraw/zinc/96/81/46/1066968146.db2.gz YUTUZDZMRXBXRV-UHFFFAOYSA-N 0 0 451.530 4.846 20 30 JJEDRN Cc1ccc(Oc2ccc(OCC(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cc2)cc1 ZINC001458091125 1066971766 /nfs/dbraw/zinc/97/17/66/1066971766.db2.gz HPFCBVHPIIESBB-UHFFFAOYSA-N 0 0 457.530 4.939 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC001545718618 1066972845 /nfs/dbraw/zinc/97/28/45/1066972845.db2.gz MHTIHEDZBXJCST-UHFFFAOYSA-N 0 0 452.514 4.744 20 30 JJEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(F)c1Br ZINC001458097489 1066974424 /nfs/dbraw/zinc/97/44/24/1066974424.db2.gz CWIZKGULAREIAD-UHFFFAOYSA-N 0 0 457.130 4.729 20 30 JJEDRN C=CCOc1ccc(/C=C\C(=O)NC(C)(C)COc2ncccc2C(F)(F)F)cc1OC ZINC001458125587 1066983124 /nfs/dbraw/zinc/98/31/24/1066983124.db2.gz PXFNNJCGLQLRQO-LUAWRHEFSA-N 0 0 450.457 4.661 20 30 JJEDRN CCc1ccc(C#CC(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001546011648 1066984595 /nfs/dbraw/zinc/98/45/95/1066984595.db2.gz NTSCUDHCEHYSLY-UHFFFAOYSA-N 0 0 452.598 4.551 20 30 JJEDRN C=CCC[C@@H](NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C)c1ccccc1 ZINC001458137402 1066985641 /nfs/dbraw/zinc/98/56/41/1066985641.db2.gz XOTRONPEJHXTPU-OAQYLSRUSA-N 0 0 453.587 4.596 20 30 JJEDRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001458147532 1066987944 /nfs/dbraw/zinc/98/79/44/1066987944.db2.gz HVZCMDRYCIGERU-UHFFFAOYSA-N 0 0 456.424 4.747 20 30 JJEDRN CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC001449193242 1066988449 /nfs/dbraw/zinc/98/84/49/1066988449.db2.gz NGRPHTZVUXHGQV-NRFANRHFSA-N 0 0 450.583 4.808 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1C#N ZINC001458154473 1066990043 /nfs/dbraw/zinc/99/00/43/1066990043.db2.gz LDAUXMJTLRDQMT-UHFFFAOYSA-N 0 0 457.412 4.892 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1C#N ZINC001458156062 1066991368 /nfs/dbraw/zinc/99/13/68/1066991368.db2.gz UDCOIUFPLMPSRS-UHFFFAOYSA-N 0 0 457.412 4.892 20 30 JJEDRN C#C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(Cl)cc1F ZINC001449315464 1066998704 /nfs/dbraw/zinc/99/87/04/1066998704.db2.gz JREZYAUCEGFOHW-XZOQPEGZSA-N 0 0 450.897 4.537 20 30 JJEDRN CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001546013137 1067000374 /nfs/dbraw/zinc/00/03/74/1067000374.db2.gz VMRNWFCDZHJLFY-PZJWPPBQSA-N 0 0 482.629 4.658 20 30 JJEDRN COC(=O)c1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c(C#N)n1 ZINC001458195657 1067001493 /nfs/dbraw/zinc/00/14/93/1067001493.db2.gz RXUWEVRSOSHRAZ-UHFFFAOYSA-N 0 0 456.817 4.845 20 30 JJEDRN CN(C(=O)c1ccncc1)c1ccc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)cc1 ZINC001458202970 1067002455 /nfs/dbraw/zinc/00/24/55/1067002455.db2.gz KEAGSPJQONXUOJ-UHFFFAOYSA-N 0 0 450.546 4.768 20 30 JJEDRN CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC001449358208 1067003488 /nfs/dbraw/zinc/00/34/88/1067003488.db2.gz UZGOTLJUXLMSJW-KURKYZTESA-N 0 0 452.558 4.650 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545740977 1067006806 /nfs/dbraw/zinc/00/68/06/1067006806.db2.gz HKHGMQMOPASMJW-AJFLCOCNSA-N 0 0 496.631 4.909 20 30 JJEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)c(Cl)c1 ZINC001458225190 1067007095 /nfs/dbraw/zinc/00/70/95/1067007095.db2.gz YACRNYAUVOKRMR-UHFFFAOYSA-N 0 0 450.886 4.548 20 30 JJEDRN N#Cc1cc(Br)ccc1Oc1ncnc2cc(I)sc21 ZINC001458250845 1067012297 /nfs/dbraw/zinc/01/22/97/1067012297.db2.gz HPWWFCSXPUATLY-UHFFFAOYSA-N 0 0 458.078 4.722 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@H](C)c1nc(C2CC2)cs1 ZINC001458252728 1067012848 /nfs/dbraw/zinc/01/28/48/1067012848.db2.gz MCZQVQNWPXGHDZ-LLVKDONJSA-N 0 0 451.342 4.737 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@@H](C)c1nc(C2CC2)cs1 ZINC001458252763 1067013012 /nfs/dbraw/zinc/01/30/12/1067013012.db2.gz MCZQVQNWPXGHDZ-NSHDSACASA-N 0 0 451.342 4.737 20 30 JJEDRN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC001449570132 1067015115 /nfs/dbraw/zinc/01/51/15/1067015115.db2.gz OCIDHNZWONMNHF-UHFFFAOYSA-N 0 0 450.451 4.967 20 30 JJEDRN CC[C@@H](c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545746963 1067016171 /nfs/dbraw/zinc/01/61/71/1067016171.db2.gz XPXUGIALVCBSSG-QFQXNSOFSA-N 0 0 466.630 4.865 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001449713818 1067022917 /nfs/dbraw/zinc/02/29/17/1067022917.db2.gz VCHJZYRRMXPDIT-OALUTQOASA-N 0 0 450.501 4.553 20 30 JJEDRN N#Cc1c(C#N)c2c(nc1NC[C@@H](CO)Cc1cccc(Br)c1)CCCCCC2 ZINC001458319959 1067029562 /nfs/dbraw/zinc/02/95/62/1067029562.db2.gz YSQPUERVMOUBSE-KRWDZBQOSA-N 0 0 453.384 4.510 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001458354814 1067041009 /nfs/dbraw/zinc/04/10/09/1067041009.db2.gz NGKSIIOTAVBFEP-KRWDZBQOSA-N 0 0 456.823 4.598 20 30 JJEDRN N#Cc1cc(F)c(NCc2nc(-c3cccc(Br)c3)no2)cc1Br ZINC001458357933 1067041729 /nfs/dbraw/zinc/04/17/29/1067041729.db2.gz XZJKVNZCOURYCK-UHFFFAOYSA-N 0 0 452.081 4.884 20 30 JJEDRN CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC001545759667 1067043029 /nfs/dbraw/zinc/04/30/29/1067043029.db2.gz CKIDVNNWARSVEI-LJQANCHMSA-N 0 0 456.546 4.643 20 30 JJEDRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C(C)(C)C)n2)CCO1 ZINC001546099805 1067043173 /nfs/dbraw/zinc/04/31/73/1067043173.db2.gz NARZATFXQUBNLN-SANMLTNESA-N 0 0 494.665 4.731 20 30 JJEDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)nn1-c1cccc(C#N)c1 ZINC001450143536 1067053980 /nfs/dbraw/zinc/05/39/80/1067053980.db2.gz KQUIMMJLDISWKS-ZHRRBRCNSA-N 0 0 454.452 4.673 20 30 JJEDRN O=C(Nc1cc(C(F)(F)F)[nH]n1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001546019939 1067055257 /nfs/dbraw/zinc/05/52/57/1067055257.db2.gz KNQYNUCKRLRZAE-UHFFFAOYSA-N 0 0 457.256 4.904 20 30 JJEDRN C=CCn1c(SCC(=O)NC(C)(C)C(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC001450167870 1067057015 /nfs/dbraw/zinc/05/70/15/1067057015.db2.gz JLZVDZGFDQHFEF-UHFFFAOYSA-N 0 0 454.983 4.654 20 30 JJEDRN CCC(CC)(Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)SC ZINC001545771032 1067057151 /nfs/dbraw/zinc/05/71/51/1067057151.db2.gz CZHYHXXUAIQSDD-QUCCMNQESA-N 0 0 486.661 4.656 20 30 JJEDRN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001458438981 1067060559 /nfs/dbraw/zinc/06/05/59/1067060559.db2.gz WMLIKLOPDXYKPP-OCCSQVGLSA-N 0 0 450.753 4.619 20 30 JJEDRN N#C[C@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001458440419 1067061042 /nfs/dbraw/zinc/06/10/42/1067061042.db2.gz QXKLDRULVLQCOB-INIZCTEOSA-N 0 0 457.221 4.899 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)s1 ZINC001458445095 1067062422 /nfs/dbraw/zinc/06/24/22/1067062422.db2.gz BJSVUKPGMKHOKW-AWEZNQCLSA-N 0 0 456.818 4.982 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)SC ZINC001545774159 1067065011 /nfs/dbraw/zinc/06/50/11/1067065011.db2.gz FXVVDSBWLQUJSI-OAQYLSRUSA-N 0 0 482.698 4.727 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nccs2)CC1)SC ZINC001545774149 1067065109 /nfs/dbraw/zinc/06/51/09/1067065109.db2.gz FPLLGLUYGQQDCI-UHFFFAOYSA-N 0 0 481.695 4.912 20 30 JJEDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC001458452182 1067066760 /nfs/dbraw/zinc/06/67/60/1067066760.db2.gz ZPJOSCGSMPXSGB-GTNSWQLSSA-N 0 0 454.137 4.910 20 30 JJEDRN CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)c(C#N)s1 ZINC001458454666 1067066963 /nfs/dbraw/zinc/06/69/63/1067066963.db2.gz NVGGNHIOHDBGHA-MRXNPFEDSA-N 0 0 456.637 4.808 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2csc(C)n2)CC1)SC ZINC001545775650 1067069152 /nfs/dbraw/zinc/06/91/52/1067069152.db2.gz GEROXWFDRSIKPW-UHFFFAOYSA-N 0 0 495.722 4.826 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)SC ZINC001545776058 1067070395 /nfs/dbraw/zinc/07/03/95/1067070395.db2.gz UOLHPFVLVMLQTN-HXUWFJFHSA-N 0 0 490.681 4.552 20 30 JJEDRN N#Cc1ccc(NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)c(F)c1Br ZINC001458499611 1067075923 /nfs/dbraw/zinc/07/59/23/1067075923.db2.gz PNMIUYISROHOPP-UHFFFAOYSA-N 0 0 454.299 4.603 20 30 JJEDRN CC(C)c1ccc(CN2CCN(C(=O)c3cccc(CNc4ncccc4C#N)c3)CC2)cc1 ZINC001450519316 1067085674 /nfs/dbraw/zinc/08/56/74/1067085674.db2.gz CSFNSYKCOATESZ-UHFFFAOYSA-N 0 0 453.590 4.647 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(c1nccc(Oc3cccc(C#N)c3)n1)C2 ZINC001458549872 1067086489 /nfs/dbraw/zinc/08/64/89/1067086489.db2.gz ODSUWVICSSAWCL-UHFFFAOYSA-N 0 0 459.506 4.887 20 30 JJEDRN O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001450543337 1067089075 /nfs/dbraw/zinc/08/90/75/1067089075.db2.gz HHVBLBDOGVVNFR-UHFFFAOYSA-N 0 0 457.309 4.949 20 30 JJEDRN CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1)SC ZINC001545794790 1067093739 /nfs/dbraw/zinc/09/37/39/1067093739.db2.gz OLMGSGIBMZZQLP-UHFFFAOYSA-N 0 0 469.655 4.800 20 30 JJEDRN N#C[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1c(Cl)cccc1Cl ZINC001458612865 1067095600 /nfs/dbraw/zinc/09/56/00/1067095600.db2.gz DVQGAKPHYOIYTN-MRXNPFEDSA-N 0 0 450.123 4.936 20 30 JJEDRN COc1cc([C@@H](C#N)NC(=O)c2cc3cc(C)cc(Br)c3o2)cc(OC)c1OC ZINC001458613353 1067095661 /nfs/dbraw/zinc/09/56/61/1067095661.db2.gz ITCVNIXREYRYAJ-OAHLLOKOSA-N 0 0 459.296 4.524 20 30 JJEDRN Cc1sc(=O)n(CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1-c1ccc(F)cc1 ZINC001458630642 1067099089 /nfs/dbraw/zinc/09/90/89/1067099089.db2.gz ZHSIJYKFGZNHDU-KRWDZBQOSA-N 0 0 450.322 4.712 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)NCC3(c4ccc(Cl)cc4Cl)CCCC3)CC2=O)cc1 ZINC001458629979 1067099104 /nfs/dbraw/zinc/09/91/04/1067099104.db2.gz ZAZRVRODDFSEDX-QGZVFWFLSA-N 0 0 456.373 4.846 20 30 JJEDRN N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2)ccn1 ZINC001450669613 1067100676 /nfs/dbraw/zinc/10/06/76/1067100676.db2.gz DPUPGBYIKSWTKF-QGZVFWFLSA-N 0 0 459.481 4.767 20 30 JJEDRN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N ZINC001450683906 1067102683 /nfs/dbraw/zinc/10/26/83/1067102683.db2.gz PBNXYTMHMVQENT-GJGORFQUSA-N 0 0 455.452 4.878 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)OC ZINC001545798887 1067102985 /nfs/dbraw/zinc/10/29/85/1067102985.db2.gz SVLIBQCTSSAYEV-RPWUZVMVSA-N 0 0 494.684 4.789 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)OC ZINC001545798905 1067103028 /nfs/dbraw/zinc/10/30/28/1067103028.db2.gz SZGHABJMFYFYEL-DQEYMECFSA-N 0 0 490.656 4.708 20 30 JJEDRN C=CCc1cc(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc(OC)c1OC ZINC001450692751 1067104087 /nfs/dbraw/zinc/10/40/87/1067104087.db2.gz NLMYZBFOZKHNTN-FQEVSTJZSA-N 0 0 458.599 4.542 20 30 JJEDRN C[C@@H](c1nccs1)N1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC001458707328 1067112086 /nfs/dbraw/zinc/11/20/86/1067112086.db2.gz MHHMGWTUYKEHMB-INIZCTEOSA-N 0 0 452.967 4.979 20 30 JJEDRN C=CCn1c(=O)c2c3c(sc2nc1SCc1nc(CC(F)(F)F)no1)CCCCC3 ZINC001458724513 1067118332 /nfs/dbraw/zinc/11/83/32/1067118332.db2.gz HFJZJTALARJXFO-UHFFFAOYSA-N 0 0 456.515 4.693 20 30 JJEDRN C=CC[C@@H](Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)C(=O)OC ZINC001458738682 1067127577 /nfs/dbraw/zinc/12/75/77/1067127577.db2.gz YLBCGVPCHIZDLO-LJQANCHMSA-N 0 0 453.955 4.529 20 30 JJEDRN N#Cc1cc(Br)ccc1CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC001458780404 1067143386 /nfs/dbraw/zinc/14/33/86/1067143386.db2.gz IWXOVXYPOCISBN-QGZVFWFLSA-N 0 0 456.365 4.502 20 30 JJEDRN O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001458813043 1067152476 /nfs/dbraw/zinc/15/24/76/1067152476.db2.gz DBAQCGIKQWZCAX-WCQYABFASA-N 0 0 457.321 4.801 20 30 JJEDRN C=CCn1c(COc2ccccc2F)nnc1S[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC001458829654 1067161397 /nfs/dbraw/zinc/16/13/97/1067161397.db2.gz YREISWCNZMHGDH-FQEVSTJZSA-N 0 0 456.518 4.609 20 30 JJEDRN C=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)C(=O)OCC ZINC001458831801 1067161887 /nfs/dbraw/zinc/16/18/87/1067161887.db2.gz ARPUMQSJLOOQBK-UHFFFAOYSA-N 0 0 454.617 4.791 20 30 JJEDRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@](F)(C#N)C2)on1 ZINC001545823307 1067166438 /nfs/dbraw/zinc/16/64/38/1067166438.db2.gz IHVQEVYHNMUPJD-QHCPKHFHSA-N 0 0 472.952 4.989 20 30 JJEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)n1 ZINC001458839503 1067166869 /nfs/dbraw/zinc/16/68/69/1067166869.db2.gz YYJMASAPHQWHFF-UHFFFAOYSA-N 0 0 453.193 4.917 20 30 JJEDRN CCOc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2=O)cc1 ZINC001458845932 1067169842 /nfs/dbraw/zinc/16/98/42/1067169842.db2.gz BNFZLGGEDYXFCD-DVECYGJZSA-N 0 0 453.542 4.854 20 30 JJEDRN COC(=O)COc1ccc(N(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 ZINC001458849889 1067171765 /nfs/dbraw/zinc/17/17/65/1067171765.db2.gz OGHORZWCHWHGQZ-UHFFFAOYSA-N 0 0 450.878 4.832 20 30 JJEDRN C[C@@H](NC(=O)c1cccc(CN2C(=O)CSC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001458850832 1067171910 /nfs/dbraw/zinc/17/19/10/1067171910.db2.gz LQUOMXJVUHGNOI-QGZVFWFLSA-N 0 0 455.539 4.912 20 30 JJEDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001458851732 1067172588 /nfs/dbraw/zinc/17/25/88/1067172588.db2.gz NFPUKPHGQKOUFX-MYUZEXMDSA-N 0 0 450.542 4.631 20 30 JJEDRN CC(C)c1c(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 ZINC001458854936 1067174367 /nfs/dbraw/zinc/17/43/67/1067174367.db2.gz YBQPBGPRNBHJGT-UHFFFAOYSA-N 0 0 458.953 4.851 20 30 JJEDRN C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(Nc3cccc(Cl)c3C)s2)c1 ZINC001458875021 1067182440 /nfs/dbraw/zinc/18/24/40/1067182440.db2.gz DMHQCAZGBANGDX-UHFFFAOYSA-N 0 0 457.968 4.665 20 30 JJEDRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCC3(C#N)CCC3)c2)cc1Cl ZINC001451666106 1067184502 /nfs/dbraw/zinc/18/45/02/1067184502.db2.gz PVUFVHJSPNOWQR-UHFFFAOYSA-N 0 0 452.363 4.526 20 30 JJEDRN C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1CC=C ZINC001458888444 1067187329 /nfs/dbraw/zinc/18/73/29/1067187329.db2.gz OWURZTUHTMXABV-QGZVFWFLSA-N 0 0 451.617 4.992 20 30 JJEDRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001458905158 1067191924 /nfs/dbraw/zinc/19/19/24/1067191924.db2.gz DEGUCMIZYLYILZ-HHHXNRCGSA-N 0 0 455.514 4.526 20 30 JJEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3cccc(C(F)(F)F)c3=O)sc2C1 ZINC001458909959 1067193640 /nfs/dbraw/zinc/19/36/40/1067193640.db2.gz WKUOARXMFKKRLP-CYBMUJFWSA-N 0 0 451.514 4.980 20 30 JJEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2nnc(Cc3cccc(F)c3)o2)c1C#N ZINC001458937791 1067202842 /nfs/dbraw/zinc/20/28/42/1067202842.db2.gz ALVRPIKSZGPZMU-UHFFFAOYSA-N 0 0 453.543 4.935 20 30 JJEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nc(-c3cccc(Cl)c3Cl)cs2)C1=O ZINC001458937775 1067203463 /nfs/dbraw/zinc/20/34/63/1067203463.db2.gz ZVMAMWOLAYGTRE-OAQYLSRUSA-N 0 0 457.342 4.956 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001452189616 1067213168 /nfs/dbraw/zinc/21/31/68/1067213168.db2.gz KQQDGNZHYYLHBI-IFXJQAMLSA-N 0 0 452.382 4.831 20 30 JJEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)n1C ZINC001458977600 1067215662 /nfs/dbraw/zinc/21/56/62/1067215662.db2.gz JYTCHHYVHBYTMC-OAHLLOKOSA-N 0 0 455.971 4.572 20 30 JJEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)n1C ZINC001458977599 1067215864 /nfs/dbraw/zinc/21/58/64/1067215864.db2.gz JYTCHHYVHBYTMC-HNNXBMFYSA-N 0 0 455.971 4.572 20 30 JJEDRN C=CCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1cccc(OC)c1 ZINC001458980416 1067216803 /nfs/dbraw/zinc/21/68/03/1067216803.db2.gz HVFKNHWMFKAGCN-JZGPVCMCSA-N 0 0 453.612 4.551 20 30 JJEDRN C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCCC4)cc3C)o2)cc1 ZINC001458987910 1067221083 /nfs/dbraw/zinc/22/10/83/1067221083.db2.gz LHNBUTLCOQTXFU-UHFFFAOYSA-N 0 0 450.564 4.941 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccn1 ZINC001458987379 1067221103 /nfs/dbraw/zinc/22/11/03/1067221103.db2.gz WYUISTNNPBKLSO-CQSZACIVSA-N 0 0 458.385 4.716 20 30 JJEDRN C=C(C)Cn1c(S[C@H](C(=O)OC)c2ccccc2Br)nnc1-c1ccncc1 ZINC001458991822 1067222104 /nfs/dbraw/zinc/22/21/04/1067222104.db2.gz FHINTGGXRWNAIH-KRWDZBQOSA-N 0 0 459.369 4.685 20 30 JJEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC001459002981 1067226661 /nfs/dbraw/zinc/22/66/61/1067226661.db2.gz VBIMSSJWTKRAQU-SFHVURJKSA-N 0 0 450.564 4.673 20 30 JJEDRN Cc1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1NC(=O)Nc1ccccc1 ZINC001452491771 1067227747 /nfs/dbraw/zinc/22/77/47/1067227747.db2.gz UPJGBWVAOZPGMH-DEOSSOPVSA-N 0 0 453.546 4.862 20 30 JJEDRN Cc1c(Br)cc(C#N)c(=O)n1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001459025205 1067231299 /nfs/dbraw/zinc/23/12/99/1067231299.db2.gz JAPFDHRCXXSCPR-UHFFFAOYSA-N 0 0 450.296 4.845 20 30 JJEDRN COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC001459026739 1067231763 /nfs/dbraw/zinc/23/17/63/1067231763.db2.gz AJFAHPNBHAVPHI-WQRHYEAKSA-N 0 0 450.482 4.860 20 30 JJEDRN N#Cc1ccc(OCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1Cl ZINC001459041003 1067236917 /nfs/dbraw/zinc/23/69/17/1067236917.db2.gz YBFUBYQAIVCQRB-UHFFFAOYSA-N 0 0 456.933 4.819 20 30 JJEDRN Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])nn1-c1cccc(C#N)c1 ZINC001459065607 1067242786 /nfs/dbraw/zinc/24/27/86/1067242786.db2.gz CGAYTDBGQRSYRZ-UHFFFAOYSA-N 0 0 453.458 4.792 20 30 JJEDRN O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ncc2c(F)cccn21 ZINC001459065981 1067242797 /nfs/dbraw/zinc/24/27/97/1067242797.db2.gz AYYANGHJFRHZQF-UHFFFAOYSA-N 0 0 451.298 4.608 20 30 JJEDRN O=C(NCCc1ccc(F)c(F)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001459089437 1067248723 /nfs/dbraw/zinc/24/87/23/1067248723.db2.gz YNJYOSMBWVNKHC-UHFFFAOYSA-N 0 0 457.317 4.820 20 30 JJEDRN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001452825061 1067255582 /nfs/dbraw/zinc/25/55/82/1067255582.db2.gz JAPPBFOPWJBLFV-UHFFFAOYSA-N 0 0 458.366 4.872 20 30 JJEDRN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C ZINC001452823988 1067255666 /nfs/dbraw/zinc/25/56/66/1067255666.db2.gz GSEDMLNJTCETFG-UHFFFAOYSA-N 0 0 453.428 4.718 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001452852191 1067256986 /nfs/dbraw/zinc/25/69/86/1067256986.db2.gz FAUXPAPDFFAZJR-UHFFFAOYSA-N 0 0 457.361 4.706 20 30 JJEDRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC001459136943 1067258595 /nfs/dbraw/zinc/25/85/95/1067258595.db2.gz WCJCTUVYWIIUIB-DEOSSOPVSA-N 0 0 453.373 4.906 20 30 JJEDRN CCOc1ccc(NC(=O)Cn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)cc1OCC ZINC001459140794 1067259149 /nfs/dbraw/zinc/25/91/49/1067259149.db2.gz DNZDSKJJLSARBT-UHFFFAOYSA-N 0 0 457.939 4.538 20 30 JJEDRN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2ccc(-c3ccco3)nn2)cc1 ZINC001459155346 1067263066 /nfs/dbraw/zinc/26/30/66/1067263066.db2.gz YNQRABWOZZVMLD-UHFFFAOYSA-N 0 0 459.531 4.755 20 30 JJEDRN C=C(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)c(F)c1 ZINC001459181575 1067267455 /nfs/dbraw/zinc/26/74/55/1067267455.db2.gz HRANDJFEMLYMBA-MRXNPFEDSA-N 0 0 458.202 4.525 20 30 JJEDRN C=C(C)[C@H](NC(=O)c1cnn(C(C)(C)C)c1I)c1ccc(F)c(F)c1 ZINC001459186748 1067268154 /nfs/dbraw/zinc/26/81/54/1067268154.db2.gz UVDZLLYTGCKANQ-HNNXBMFYSA-N 0 0 459.278 4.568 20 30 JJEDRN C=C(C)[C@@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc(F)c(F)c1 ZINC001459186551 1067268241 /nfs/dbraw/zinc/26/82/41/1067268241.db2.gz SOTXIDKEXQQOQD-JOCHJYFZSA-N 0 0 451.498 4.837 20 30 JJEDRN CC(C)(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1csc(-c2cccs2)n1 ZINC001459211830 1067271939 /nfs/dbraw/zinc/27/19/39/1067271939.db2.gz QNUKMBPNSVOSRL-UHFFFAOYSA-N 0 0 452.605 4.922 20 30 JJEDRN N#Cc1cc(OCC(=O)NCc2ccccc2COc2ccccc2)ccc1Br ZINC001459291699 1067283580 /nfs/dbraw/zinc/28/35/80/1067283580.db2.gz QOLVFJFYGVWILN-UHFFFAOYSA-N 0 0 451.320 4.595 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)CC#N)O1 ZINC001546048727 1067290847 /nfs/dbraw/zinc/29/08/47/1067290847.db2.gz PGTRGBYNCIOLOF-IQUTYRLHSA-N 0 0 452.422 4.855 20 30 JJEDRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](CC#N)C3)ccc2C)cc1 ZINC001453288896 1067294336 /nfs/dbraw/zinc/29/43/36/1067294336.db2.gz PVKYSKOSUWICLG-OAQYLSRUSA-N 0 0 453.608 4.904 20 30 JJEDRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1 ZINC001459324692 1067294938 /nfs/dbraw/zinc/29/49/38/1067294938.db2.gz HNWMYEDDNPVQSR-UHFFFAOYSA-N 0 0 459.656 4.868 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2C)nnc1-c1ccc(Cl)cc1 ZINC001459405397 1067314867 /nfs/dbraw/zinc/31/48/67/1067314867.db2.gz DWWQVHREYXCYTR-UHFFFAOYSA-N 0 0 458.971 4.841 20 30 JJEDRN O=[N+]([O-])c1ccc(N2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)c(C(F)(F)F)c1 ZINC001459424263 1067322278 /nfs/dbraw/zinc/32/22/78/1067322278.db2.gz PSSAOWIJDLNNDY-UHFFFAOYSA-N 0 0 457.374 4.806 20 30 JJEDRN O=C(CN1CCO[C@H](c2ccccc2F)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459429621 1067323921 /nfs/dbraw/zinc/32/39/21/1067323921.db2.gz UUTXTYKHHBVUIA-KRWDZBQOSA-N 0 0 450.354 4.875 20 30 JJEDRN CC(=O)N1CCCCC[C@@H]1C1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC001459450914 1067326485 /nfs/dbraw/zinc/32/64/85/1067326485.db2.gz SZRIXDSIWKFHPV-AUSIDOKSSA-N 0 0 456.656 4.522 20 30 JJEDRN N#Cc1ccc(C2CCN(C(=O)c3cc(Br)sc3Br)CC2)nc1 ZINC001453774417 1067328967 /nfs/dbraw/zinc/32/89/67/1067328967.db2.gz MIMWTJARRDVQFQ-UHFFFAOYSA-N 0 0 455.175 4.560 20 30 JJEDRN C#CCNC(=O)C1CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1 ZINC001459469564 1067332858 /nfs/dbraw/zinc/33/28/58/1067332858.db2.gz VAGUMDQDCPOIDU-UHFFFAOYSA-N 0 0 458.583 4.596 20 30 JJEDRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NCc3ccc(C#N)c(Cl)c3)cc2)c1 ZINC001459471410 1067333525 /nfs/dbraw/zinc/33/35/25/1067333525.db2.gz BLCFERTVIKEPKQ-UHFFFAOYSA-N 0 0 454.935 4.526 20 30 JJEDRN C[C@]1(C(F)(F)F)c2ccccc2CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC001459511301 1067341406 /nfs/dbraw/zinc/34/14/06/1067341406.db2.gz KKGIGHJVHVOBTL-LJQANCHMSA-N 0 0 453.258 4.562 20 30 JJEDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001459513978 1067342506 /nfs/dbraw/zinc/34/25/06/1067342506.db2.gz JRNIFFOBYFRKQQ-DHIUTWEWSA-N 0 0 459.550 4.620 20 30 JJEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(c4cccc(Br)c4)CC3)C2)c(F)c1 ZINC001459515537 1067342801 /nfs/dbraw/zinc/34/28/01/1067342801.db2.gz PFIZTFBMIVKAJD-IBGZPJMESA-N 0 0 456.359 4.692 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC001459521717 1067343904 /nfs/dbraw/zinc/34/39/04/1067343904.db2.gz CVUJYCNZLSCUBA-UHFFFAOYSA-N 0 0 457.368 4.895 20 30 JJEDRN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001459523249 1067344099 /nfs/dbraw/zinc/34/40/99/1067344099.db2.gz FAJXHQHTOVQDQB-AHWVRZQESA-N 0 0 452.558 4.958 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC001459554344 1067349673 /nfs/dbraw/zinc/34/96/73/1067349673.db2.gz AXYACQPWDRZOBV-YADHBBJMSA-N 0 0 453.030 4.971 20 30 JJEDRN C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Br)cc2)CCC3)nc1 ZINC001459607322 1067362146 /nfs/dbraw/zinc/36/21/46/1067362146.db2.gz HFTMRRBWJDJFBK-UHFFFAOYSA-N 0 0 451.345 4.859 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC001459612161 1067363874 /nfs/dbraw/zinc/36/38/74/1067363874.db2.gz COZSJTUPUCQOOK-OAQYLSRUSA-N 0 0 451.571 4.802 20 30 JJEDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Oc1ccc(C#N)cc1I ZINC001459647972 1067371467 /nfs/dbraw/zinc/37/14/67/1067371467.db2.gz CXZJZVLZWNCHAC-NSHDSACASA-N 0 0 459.205 4.966 20 30 JJEDRN Cc1ccc(CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc3c(c2)OCCO3)s1 ZINC001459691342 1067385465 /nfs/dbraw/zinc/38/54/65/1067385465.db2.gz VRBYEPIXUWSBRU-UHFFFAOYSA-N 0 0 453.951 4.998 20 30 JJEDRN CCc1nc2c(s1)[C@@H](N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CCC2 ZINC001459693135 1067385796 /nfs/dbraw/zinc/38/57/96/1067385796.db2.gz FIXAHMVGXXMFPJ-FQEVSTJZSA-N 0 0 451.596 4.585 20 30 JJEDRN Cc1nc2c(s1)[C@H](N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CCC2 ZINC001459707257 1067390054 /nfs/dbraw/zinc/39/00/54/1067390054.db2.gz IFSJLNXYPCHFPA-OAQYLSRUSA-N 0 0 451.571 4.818 20 30 JJEDRN Cc1cc(N(CCC#N)C(=O)CN2CCC(N3c4ccccc4C[C@@H]3C)CC2)ccc1Cl ZINC001459708969 1067390787 /nfs/dbraw/zinc/39/07/87/1067390787.db2.gz VTDYWAANSJFIDG-FQEVSTJZSA-N 0 0 451.014 4.811 20 30 JJEDRN Cc1cc(F)ccc1N(CC(=O)NCCc1cccc2cccnc21)Cc1ccc(C#N)cc1 ZINC001459709179 1067390810 /nfs/dbraw/zinc/39/08/10/1067390810.db2.gz ZOHJNDZYMWZDDI-UHFFFAOYSA-N 0 0 452.533 4.920 20 30 JJEDRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC001459716126 1067393685 /nfs/dbraw/zinc/39/36/85/1067393685.db2.gz KBDQUPLXWDSSAH-GCJKJVERSA-N 0 0 451.567 4.544 20 30 JJEDRN C[C@@]1(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001459739043 1067400463 /nfs/dbraw/zinc/40/04/63/1067400463.db2.gz UFTLAGUGHAIHLI-HHHXNRCGSA-N 0 0 455.514 4.882 20 30 JJEDRN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001459746577 1067403996 /nfs/dbraw/zinc/40/39/96/1067403996.db2.gz FPGCJJJIVSRCTJ-NRFANRHFSA-N 0 0 457.578 4.644 20 30 JJEDRN C#CCn1ccc(CN(CCOC)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)n1 ZINC001459759243 1067410363 /nfs/dbraw/zinc/41/03/63/1067410363.db2.gz OJEZLPSGUJIIPO-UHFFFAOYSA-N 0 0 459.590 4.682 20 30 JJEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCc3c(F)cc(F)cc3[C@H]2C)c1C#N ZINC001459761452 1067411852 /nfs/dbraw/zinc/41/18/52/1067411852.db2.gz CVTYIFATZXIJDS-MRXNPFEDSA-N 0 0 452.480 4.941 20 30 JJEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)c1C#N ZINC001459790960 1067424021 /nfs/dbraw/zinc/42/40/21/1067424021.db2.gz OABAMDZVKKBENW-QHCPKHFHSA-N 0 0 458.537 4.781 20 30 JJEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC001459830176 1067443364 /nfs/dbraw/zinc/44/33/64/1067443364.db2.gz ZQECIJZDCSSVEE-FDDCHVKYSA-N 0 0 453.608 4.625 20 30 JJEDRN N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)o1 ZINC001459831209 1067443668 /nfs/dbraw/zinc/44/36/68/1067443668.db2.gz DIQSIJIDVJSMRE-QFBILLFUSA-N 0 0 455.283 4.918 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)Nc1sccc1C#N)c1ccc2ccccc2c1 ZINC001459849072 1067454646 /nfs/dbraw/zinc/45/46/46/1067454646.db2.gz HZPIVSXKHBSPES-HXUWFJFHSA-N 0 0 450.564 4.567 20 30 JJEDRN COCC[C@@](C)(C#N)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC001459880746 1067471340 /nfs/dbraw/zinc/47/13/40/1067471340.db2.gz MIXWVLVIOBJCOC-FQEVSTJZSA-N 0 0 451.379 4.810 20 30 JJEDRN CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459894774 1067477227 /nfs/dbraw/zinc/47/72/27/1067477227.db2.gz XTGDHWAOPZMGPG-XJUOHMSHSA-N 0 0 456.631 4.564 20 30 JJEDRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001459899734 1067479216 /nfs/dbraw/zinc/47/92/16/1067479216.db2.gz UPQZMMZJGKRFLI-KPZWWZAWSA-N 0 0 455.381 4.630 20 30 JJEDRN CCN(CC)c1nc2sc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2s1 ZINC001459900090 1067479776 /nfs/dbraw/zinc/47/97/76/1067479776.db2.gz GIAHSCOTOQLUQD-UHFFFAOYSA-N 0 0 458.584 4.898 20 30 JJEDRN COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)c2)c1 ZINC001459945093 1067501770 /nfs/dbraw/zinc/50/17/70/1067501770.db2.gz FPEBLBLMPUBXOI-AREMUKBSSA-N 0 0 457.530 4.653 20 30 JJEDRN CC(C)(C)c1cc(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)n(-c2ccc(C#N)cc2)n1 ZINC001459991953 1067518455 /nfs/dbraw/zinc/51/84/55/1067518455.db2.gz FQWIGWMZVJCUSB-UHFFFAOYSA-N 0 0 455.562 4.920 20 30 JJEDRN C=CC[C@@]1(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C ZINC001459993870 1067518744 /nfs/dbraw/zinc/51/87/44/1067518744.db2.gz NOUXVIUZWGJDJA-QFIPXVFZSA-N 0 0 456.505 4.932 20 30 JJEDRN O[C@H](Cc1ccc(F)cc1)CN1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001460006715 1067524384 /nfs/dbraw/zinc/52/43/84/1067524384.db2.gz YOYFDJINRLLRGB-RTBURBONSA-N 0 0 451.382 4.840 20 30 JJEDRN C=CCC1(CNC(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)CCCC1 ZINC001460026088 1067532644 /nfs/dbraw/zinc/53/26/44/1067532644.db2.gz FTNIUWPLFXUWIZ-UHFFFAOYSA-N 0 0 457.294 4.915 20 30 JJEDRN COc1cc(C#N)ccc1OCCN(Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC001460034072 1067535364 /nfs/dbraw/zinc/53/53/64/1067535364.db2.gz LHYHTPHVAQHJGE-HXUWFJFHSA-N 0 0 459.384 4.698 20 30 JJEDRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001460048297 1067538883 /nfs/dbraw/zinc/53/88/83/1067538883.db2.gz TYGRLZCXUPCHDE-UXHICEINSA-N 0 0 452.769 4.743 20 30 JJEDRN C=C[C@@H]1OCC[C@H]1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC001460071263 1067545927 /nfs/dbraw/zinc/54/59/27/1067545927.db2.gz GHVBRBMYUOWZBH-YADHBBJMSA-N 0 0 462.619 4.784 20 30 JJEDRN COc1cc(/C=C/C(=O)Nc2c(C#N)c(C)c3ccccn32)ccc1OCc1c(C)noc1C ZINC001460093892 1067552938 /nfs/dbraw/zinc/55/29/38/1067552938.db2.gz VMRMIMDPDFDNJY-PKNBQFBNSA-N 0 0 456.502 4.964 20 30 JJEDRN C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CCCCC1 ZINC001460095629 1067553597 /nfs/dbraw/zinc/55/35/97/1067553597.db2.gz YYVSPQBNWOIPKX-UHFFFAOYSA-N 0 0 459.439 4.789 20 30 JJEDRN Cc1c(C#N)c(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)n2ccccc12 ZINC001460103757 1067555939 /nfs/dbraw/zinc/55/59/39/1067555939.db2.gz PFEODTGRNONVTA-UHFFFAOYSA-N 0 0 456.325 4.565 20 30 JJEDRN Cc1ccc(C)c(Sc2ccc(NC(=O)CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2)c1 ZINC001460173566 1067570164 /nfs/dbraw/zinc/57/01/64/1067570164.db2.gz SJPFDRIMLFGKHO-JOCHJYFZSA-N 0 0 458.587 4.813 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)N(c3ccc(Br)cc3)C3CC3)CC2=O)cc1Cl ZINC001460183953 1067573717 /nfs/dbraw/zinc/57/37/17/1067573717.db2.gz WDXABOXHQKEQPY-AWEZNQCLSA-N 0 0 458.743 4.523 20 30 JJEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCC[C@H](CC(F)(F)F)C2)c1C#N ZINC001460265717 1067593918 /nfs/dbraw/zinc/59/39/18/1067593918.db2.gz INGBKBLREUFRSM-GOSISDBHSA-N 0 0 450.480 4.767 20 30 JJEDRN COc1ccccc1-c1nnc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)s1 ZINC001460269902 1067594207 /nfs/dbraw/zinc/59/42/07/1067594207.db2.gz PVPAFFANCMGXQP-UHFFFAOYSA-N 0 0 458.547 4.860 20 30 JJEDRN COc1cc(NC(=O)CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c(OC)cc1Cl ZINC001460276892 1067596065 /nfs/dbraw/zinc/59/60/65/1067596065.db2.gz FULQOHHCAZHMRF-CYBMUJFWSA-N 0 0 455.864 4.729 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001460288133 1067599561 /nfs/dbraw/zinc/59/95/61/1067599561.db2.gz VNPZWQUKTTTZLI-LJQANCHMSA-N 0 0 457.368 4.580 20 30 JJEDRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001460332581 1067609940 /nfs/dbraw/zinc/60/99/40/1067609940.db2.gz AZDPIWCAWJRPSQ-JOCHJYFZSA-N 0 0 455.986 4.922 20 30 JJEDRN Cc1cc(C#N)cc(C)c1CC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001460341475 1067611905 /nfs/dbraw/zinc/61/19/05/1067611905.db2.gz LZMWXCSISGBIPV-UHFFFAOYSA-N 0 0 459.359 4.527 20 30 JJEDRN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001460366466 1067619503 /nfs/dbraw/zinc/61/95/03/1067619503.db2.gz WHSXPCJKQLYPIN-PMFMOCITSA-N 0 0 457.416 4.608 20 30 JJEDRN C[C@H]1Cc2c(C#N)c(NC(=O)c3cn(-c4ccccc4Br)nn3)sc2[C@@H](C)C1 ZINC001460377313 1067621680 /nfs/dbraw/zinc/62/16/80/1067621680.db2.gz IVKHQEIMBJFBSI-NEPJUHHUSA-N 0 0 456.369 4.901 20 30 JJEDRN C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)c3cn(-c4ccccc4Br)nn3)sc21 ZINC001460377338 1067621741 /nfs/dbraw/zinc/62/17/41/1067621741.db2.gz IVKHQEIMBJFBSI-NWDGAFQWSA-N 0 0 456.369 4.901 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC001460389258 1067624615 /nfs/dbraw/zinc/62/46/15/1067624615.db2.gz JTXCLDDENGSAHU-FGZHOGPDSA-N 0 0 477.540 4.630 20 30 JJEDRN Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001460445367 1067636279 /nfs/dbraw/zinc/63/62/79/1067636279.db2.gz JLSPCQVAFAFPBO-UHFFFAOYSA-N 0 0 457.534 4.598 20 30 JJEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001460572739 1067658671 /nfs/dbraw/zinc/65/86/71/1067658671.db2.gz GLDUPFFDEMXLTR-KSSFIOAISA-N 0 0 452.407 4.897 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(CC)cc2)nnc1-c1ccc(Cl)cc1 ZINC001460631323 1067679021 /nfs/dbraw/zinc/67/90/21/1067679021.db2.gz BMOLDHKFDITHJC-FQEVSTJZSA-N 0 0 451.983 4.820 20 30 JJEDRN N#Cc1cc(Oc2ccc(NC(=O)c3cc(Br)cc4c3OCCO4)cc2)ccn1 ZINC001460648820 1067686240 /nfs/dbraw/zinc/68/62/40/1067686240.db2.gz ZVBZEEWUZGPUHJ-UHFFFAOYSA-N 0 0 452.264 4.532 20 30 JJEDRN N#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1F ZINC001460676950 1067697687 /nfs/dbraw/zinc/69/76/87/1067697687.db2.gz VJNJSQHOKXPIIU-UHFFFAOYSA-N 0 0 453.886 4.922 20 30 JJEDRN N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1 ZINC001460680875 1067699715 /nfs/dbraw/zinc/69/97/15/1067699715.db2.gz ILNDROFPMONLDZ-UHFFFAOYSA-N 0 0 457.309 4.681 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC[C@H]1c1ccc(F)cc1 ZINC001460744700 1067714153 /nfs/dbraw/zinc/71/41/53/1067714153.db2.gz LGURWUWBUHKVIX-XZOQPEGZSA-N 0 0 465.569 4.884 20 30 JJEDRN N#Cc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3ccc(Br)cc3)CC2)cn1 ZINC001460747981 1067715102 /nfs/dbraw/zinc/71/51/02/1067715102.db2.gz XOVXTKWZGIEOHP-HSZRJFAPSA-N 0 0 451.343 4.766 20 30 JJEDRN C#C[C@H](NC(=O)[C@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC)c1ccc(Br)cc1 ZINC001460783343 1067722892 /nfs/dbraw/zinc/72/28/92/1067722892.db2.gz BTMMEVZZYDXGHY-IPMKNSEASA-N 0 0 459.340 4.503 20 30 JJEDRN C#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)c1ccc(Br)cc1 ZINC001460786288 1067723363 /nfs/dbraw/zinc/72/33/63/1067723363.db2.gz OZGOBCCLSMDJPQ-FQEVSTJZSA-N 0 0 456.340 4.698 20 30 JJEDRN C#C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001460784807 1067723369 /nfs/dbraw/zinc/72/33/69/1067723369.db2.gz BLFTXXYOQCHVQL-DEOSSOPVSA-N 0 0 454.461 4.620 20 30 JJEDRN Cc1nsc(N(C)C(=O)CCCCCc2ccc(I)cc2)c1C#N ZINC001460787695 1067723692 /nfs/dbraw/zinc/72/36/92/1067723692.db2.gz IZMWIRZRCMWDKG-UHFFFAOYSA-N 0 0 453.349 4.694 20 30 JJEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCC[C@@H](c4ncccn4)C3)sc2C1 ZINC001460793073 1067724614 /nfs/dbraw/zinc/72/46/14/1067724614.db2.gz JUCQDCGXYZORDY-QZTJIDSGSA-N 0 0 451.640 4.769 20 30 JJEDRN C#C[C@@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1 ZINC001460792359 1067724621 /nfs/dbraw/zinc/72/46/21/1067724621.db2.gz YZCVYIPNPXAPFU-KRWDZBQOSA-N 0 0 451.375 4.516 20 30 JJEDRN CC(C)(C)OC(=O)NCC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)c2ccccc21 ZINC001460824571 1067729817 /nfs/dbraw/zinc/72/98/17/1067729817.db2.gz IAKVBWWEVVYVQH-QGZVFWFLSA-N 0 0 454.958 4.669 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2OCC)ccc1Cl ZINC001460888638 1067743448 /nfs/dbraw/zinc/74/34/48/1067743448.db2.gz UTDUULWPHMNWLW-FGZHOGPDSA-N 0 0 477.026 4.799 20 30 JJEDRN O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001460994391 1067759196 /nfs/dbraw/zinc/75/91/96/1067759196.db2.gz ZPFFOERGGOEGBX-CQSZACIVSA-N 0 0 451.338 4.936 20 30 JJEDRN N#Cc1ccc(N(Cc2ccccc2)C(=O)COCCc2ccc(Br)cc2)nc1 ZINC001460992892 1067759331 /nfs/dbraw/zinc/75/93/31/1067759331.db2.gz IQUHTWDGSCHIIG-UHFFFAOYSA-N 0 0 450.336 4.508 20 30 JJEDRN C=CCc1ccc(OCC(=O)Nc2ccc(Cl)c(I)c2)c(OC)c1 ZINC001461064610 1067773952 /nfs/dbraw/zinc/77/39/52/1067773952.db2.gz DLWUCIHHGQELLY-UHFFFAOYSA-N 0 0 457.695 4.699 20 30 JJEDRN CC(C)(C)OC(=O)C1(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCOCC1 ZINC001461136250 1067787870 /nfs/dbraw/zinc/78/78/70/1067787870.db2.gz JCJXHWGVLGYCPH-UHFFFAOYSA-N 0 0 452.576 4.578 20 30 JJEDRN Cc1c(C(=O)Oc2c(Br)cc(C#N)cc2Br)oc2c1C(=O)CCC2 ZINC001461147566 1067789041 /nfs/dbraw/zinc/78/90/41/1067789041.db2.gz FVWKXONYCZMJIM-UHFFFAOYSA-N 0 0 453.086 4.723 20 30 JJEDRN C=CCOc1ccc(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1OC ZINC001461256611 1067811284 /nfs/dbraw/zinc/81/12/84/1067811284.db2.gz MQCIMFYYPYDDJY-RUZDIDTESA-N 0 0 455.551 4.682 20 30 JJEDRN Cc1cc([C@H](CC(=O)N2CCCc3c(C#N)cccc32)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001461365194 1067839480 /nfs/dbraw/zinc/83/94/80/1067839480.db2.gz VELAPSBTOHFZGY-IBGZPJMESA-N 0 0 454.958 4.850 20 30 JJEDRN COc1cc(Br)c(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1OC ZINC001461435250 1067855861 /nfs/dbraw/zinc/85/58/61/1067855861.db2.gz PJJRPASCRBMDTN-UHFFFAOYSA-N 0 0 458.356 4.661 20 30 JJEDRN C=CCn1c(SCC(=O)NC(C)(C)c2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 ZINC001461513200 1067879696 /nfs/dbraw/zinc/87/96/96/1067879696.db2.gz GVRRZEFZZFLTDQ-UHFFFAOYSA-N 0 0 451.983 4.800 20 30 JJEDRN CC(C)(NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1cccc(C#N)c1 ZINC001461515019 1067880026 /nfs/dbraw/zinc/88/00/26/1067880026.db2.gz NJRSJYOMDGOHOW-AQTBWJFISA-N 0 0 455.630 4.653 20 30 JJEDRN Cc1oc(-c2cccs2)nc1CNc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC001461554149 1067887038 /nfs/dbraw/zinc/88/70/38/1067887038.db2.gz OGGGCIDZDIGRKV-NJNXFGOHSA-N 0 0 458.609 4.917 20 30 JJEDRN COc1cc(C#N)ccc1C(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 ZINC001461590373 1067895540 /nfs/dbraw/zinc/89/55/40/1067895540.db2.gz XTZDMEKRWNEIBN-UHFFFAOYSA-N 0 0 454.309 4.581 20 30 JJEDRN COc1cccc(Nc2ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)nc2)c1 ZINC001461599448 1067898782 /nfs/dbraw/zinc/89/87/82/1067898782.db2.gz BNDHAKOPZZYURK-FQEVSTJZSA-N 0 0 453.543 4.750 20 30 JJEDRN COc1cccc(Nc2ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)nc2)c1 ZINC001461599451 1067898799 /nfs/dbraw/zinc/89/87/99/1067898799.db2.gz BNDHAKOPZZYURK-HXUWFJFHSA-N 0 0 453.543 4.750 20 30 JJEDRN Cc1cccc(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)nc2)c1 ZINC001461689547 1067918569 /nfs/dbraw/zinc/91/85/69/1067918569.db2.gz UVOGZDXJQVEJIQ-UHFFFAOYSA-N 0 0 452.474 4.995 20 30 JJEDRN CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@@H](C#N)C2)CCC1 ZINC001546126380 1067920918 /nfs/dbraw/zinc/92/09/18/1067920918.db2.gz VVNXSSLNOQMLRQ-QUCCMNQESA-N 0 0 458.006 4.997 20 30 JJEDRN C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccc(Br)cc3)C(C)(C)C)cc2C1=O ZINC001461746052 1067929468 /nfs/dbraw/zinc/92/94/68/1067929468.db2.gz ZTLHQPBLCZHYHG-UHFFFAOYSA-N 0 0 455.352 4.672 20 30 JJEDRN N#Cc1cc(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cnc1C(F)(F)F ZINC001461768463 1067933377 /nfs/dbraw/zinc/93/33/77/1067933377.db2.gz NBKKRXPSTSMIML-HNNXBMFYSA-N 0 0 456.287 4.741 20 30 JJEDRN N#Cc1cc(F)c(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)c(Br)c1 ZINC001461778153 1067935724 /nfs/dbraw/zinc/93/57/24/1067935724.db2.gz VBUNQKLBHZUAJT-OAHLLOKOSA-N 0 0 453.267 4.572 20 30 JJEDRN COc1cc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc(OC)c1OCC(F)F ZINC001461883977 1067954106 /nfs/dbraw/zinc/95/41/06/1067954106.db2.gz KHXWVNPXCVQNHM-RYUDHWBXSA-N 0 0 451.354 4.910 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001462230063 1068033661 /nfs/dbraw/zinc/03/36/61/1068033661.db2.gz ROGAIPJOKLKYMH-CVDCTZTESA-N 0 0 451.970 4.990 20 30 JJEDRN COc1cccc(NC(=O)CSc2ccccc2C(=O)N(C)CCc2cccc(C#N)c2)c1 ZINC001462299834 1068046792 /nfs/dbraw/zinc/04/67/92/1068046792.db2.gz HUEZAYCLLRWXLB-UHFFFAOYSA-N 0 0 459.571 4.612 20 30 JJEDRN CN(CCc1cccc(C#N)c1)C(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001462302337 1068047258 /nfs/dbraw/zinc/04/72/58/1068047258.db2.gz SZMCPHZCZLNECR-UHFFFAOYSA-N 0 0 454.570 4.887 20 30 JJEDRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(CC#N)n3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001462420128 1068070702 /nfs/dbraw/zinc/07/07/02/1068070702.db2.gz CKFONCFIGGOICH-ZEQKJWHPSA-N 0 0 454.530 4.588 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@H](C#N)C2CCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC001462456249 1068078412 /nfs/dbraw/zinc/07/84/12/1068078412.db2.gz TYYUXYKZQYWFBX-QGZVFWFLSA-N 0 0 450.395 4.729 20 30 JJEDRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 ZINC001546132369 1068096386 /nfs/dbraw/zinc/09/63/86/1068096386.db2.gz GGFQRKTXOGSHMW-QHCPKHFHSA-N 0 0 458.006 4.944 20 30 JJEDRN C=CCn1ncc2ccc(NCc3cc(C)cc(Br)c3OCC(=O)OCC)cc21 ZINC001462626422 1068116244 /nfs/dbraw/zinc/11/62/44/1068116244.db2.gz WDYVHEDFUDVWIH-UHFFFAOYSA-N 0 0 458.356 4.847 20 30 JJEDRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001462667385 1068127807 /nfs/dbraw/zinc/12/78/07/1068127807.db2.gz JYPJPSOQOBJGCG-MADCSZMMSA-N 0 0 452.164 4.837 20 30 JJEDRN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)S(=O)(=O)CC(C)(C)CC#N ZINC001462692865 1068133445 /nfs/dbraw/zinc/13/34/45/1068133445.db2.gz AXXOTIXCPYSNPS-UHFFFAOYSA-N 0 0 456.999 4.894 20 30 JJEDRN O=C1CCc2cc(S(=O)(=O)Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)cc2N1 ZINC001462697293 1068134698 /nfs/dbraw/zinc/13/46/98/1068134698.db2.gz QZRIBSUWYKYQBR-UHFFFAOYSA-N 0 0 457.323 4.516 20 30 JJEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC001462697292 1068134749 /nfs/dbraw/zinc/13/47/49/1068134749.db2.gz UUKALUSQQWKXHH-SANMLTNESA-N 0 0 458.936 4.681 20 30 JJEDRN CC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)ccc1Br ZINC001462712937 1068140136 /nfs/dbraw/zinc/14/01/36/1068140136.db2.gz ASJFMOISRXSINM-UHFFFAOYSA-N 0 0 456.317 4.958 20 30 JJEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1C ZINC001462720273 1068141804 /nfs/dbraw/zinc/14/18/04/1068141804.db2.gz LGEQHUFNOROPJJ-UHFFFAOYSA-N 0 0 450.624 4.510 20 30 JJEDRN Cc1c(Br)ccc(C(=O)Nc2ccc(C#N)cc2I)c1F ZINC001462864308 1068195620 /nfs/dbraw/zinc/19/56/20/1068195620.db2.gz OOQWJJVQERMQBS-UHFFFAOYSA-N 0 0 459.056 4.625 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001462887157 1068203389 /nfs/dbraw/zinc/20/33/89/1068203389.db2.gz KRBQHARBXWIBBP-RYUDHWBXSA-N 0 0 456.433 4.833 20 30 JJEDRN CC1(C)Cc2cc(S(=O)(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc2O1 ZINC001462888529 1068203980 /nfs/dbraw/zinc/20/39/80/1068203980.db2.gz SEWJFBBFOMRUNO-UHFFFAOYSA-N 0 0 450.535 4.802 20 30 JJEDRN C=CCCc1ccc(S(=O)(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC001462911998 1068212283 /nfs/dbraw/zinc/21/22/83/1068212283.db2.gz UTKCFYLUASYMCQ-UHFFFAOYSA-N 0 0 453.526 4.851 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N(CCc2ccccc2F)C2CCCC2)ccc1Br ZINC001462947672 1068225124 /nfs/dbraw/zinc/22/51/24/1068225124.db2.gz RTJFHXATZNTOCG-UHFFFAOYSA-N 0 0 451.361 4.636 20 30 JJEDRN C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC001462951262 1068226118 /nfs/dbraw/zinc/22/61/18/1068226118.db2.gz CLFWIPOUNWPSHU-UHFFFAOYSA-N 0 0 450.940 4.836 20 30 JJEDRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC001462974026 1068234423 /nfs/dbraw/zinc/23/44/23/1068234423.db2.gz JELWDIKLDZIZLS-LJQANCHMSA-N 0 0 458.562 4.899 20 30 JJEDRN C#CCN(C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C1CC[NH+](C)CC1 ZINC001463000383 1068244456 /nfs/dbraw/zinc/24/44/56/1068244456.db2.gz WGUZBWXEBFCJLQ-HEHNFIMWSA-N 0 0 459.615 4.792 20 30 JJEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001463005574 1068246906 /nfs/dbraw/zinc/24/69/06/1068246906.db2.gz YLJAPOLBMYSGKU-FQEVSTJZSA-N 0 0 454.514 4.687 20 30 JJEDRN O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)C(F)(F)c1c(F)cccc1F ZINC001463026770 1068256361 /nfs/dbraw/zinc/25/63/61/1068256361.db2.gz WEWDTJIZMHKSJU-UHFFFAOYSA-N 0 0 450.354 4.546 20 30 JJEDRN N#Cc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1Sc1ccccc1 ZINC001463058193 1068269183 /nfs/dbraw/zinc/26/91/83/1068269183.db2.gz FEYOGQCSXDNCOW-UHFFFAOYSA-N 0 0 459.390 4.950 20 30 JJEDRN COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)Cc3c(C)cc(C#N)cc3C)s2)cc1 ZINC001463107199 1068289408 /nfs/dbraw/zinc/28/94/08/1068289408.db2.gz IIUGYNSMRKPOSP-QGZVFWFLSA-N 0 0 455.605 4.796 20 30 JJEDRN COC(=O)c1c(Cl)cccc1S(=O)(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001463109878 1068290017 /nfs/dbraw/zinc/29/00/17/1068290017.db2.gz KLWORANFORKVFG-CQSZACIVSA-N 0 0 457.253 4.659 20 30 JJEDRN C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cccc(Cl)c1C ZINC001463116035 1068292590 /nfs/dbraw/zinc/29/25/90/1068292590.db2.gz YMONKWBBSFVXGN-KRWDZBQOSA-N 0 0 454.773 4.559 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)ccc1Cl ZINC001463116757 1068292605 /nfs/dbraw/zinc/29/26/05/1068292605.db2.gz XHFHEPRIRKODOP-UHFFFAOYSA-N 0 0 459.782 4.998 20 30 JJEDRN N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3ccc(Br)c(F)c3)c2)s1 ZINC001463138423 1068299661 /nfs/dbraw/zinc/29/96/61/1068299661.db2.gz QXZAZPSEKLFHKJ-UHFFFAOYSA-N 0 0 451.342 4.667 20 30 JJEDRN C=CCOc1cc(OC)ccc1C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463149110 1068303881 /nfs/dbraw/zinc/30/38/81/1068303881.db2.gz LJXZXIHDGWEFCV-STQMWFEESA-N 0 0 459.333 4.503 20 30 JJEDRN O=C(c1ccc(Cn2cccc2)cc1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463150393 1068304087 /nfs/dbraw/zinc/30/40/87/1068304087.db2.gz RFAMEZKHPMJSSX-GJZGRUSLSA-N 0 0 452.345 4.779 20 30 JJEDRN Cn1ccc(C(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1-c1ccccc1 ZINC001463153229 1068305175 /nfs/dbraw/zinc/30/51/75/1068305175.db2.gz DKZRGAQPOKUOBH-OKILXGFUSA-N 0 0 452.345 4.935 20 30 JJEDRN C#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)c(Cl)c1 ZINC001463160527 1068306995 /nfs/dbraw/zinc/30/69/95/1068306995.db2.gz LIEJPFVYDPJVFJ-INIZCTEOSA-N 0 0 459.771 4.883 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cc1F ZINC001463178679 1068310840 /nfs/dbraw/zinc/31/08/40/1068310840.db2.gz SWARUEJVGWHYMH-UHFFFAOYSA-N 0 0 451.361 4.640 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC001463189320 1068314550 /nfs/dbraw/zinc/31/45/50/1068314550.db2.gz VQBPZOBBNOQLRP-VOJFVSQTSA-N 0 0 455.388 4.789 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@@H]2CCS[C@@H](C)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001463189874 1068314569 /nfs/dbraw/zinc/31/45/69/1068314569.db2.gz GSZVRWGZNBNLTM-GXTWGEPZSA-N 0 0 457.452 4.930 20 30 JJEDRN O=S(=O)(NCC#Cc1ccc(C(F)(F)F)cc1)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC001463233344 1068329762 /nfs/dbraw/zinc/32/97/62/1068329762.db2.gz CMRNQDHLGUCEEU-UHFFFAOYSA-N 0 0 457.420 4.565 20 30 JJEDRN C=CC[S@](=O)(=NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccccc1 ZINC001463271731 1068340531 /nfs/dbraw/zinc/34/05/31/1068340531.db2.gz PTXVSMXZFVMODT-AFJIDDCJSA-N 0 0 453.391 4.606 20 30 JJEDRN N#Cc1sc2ccccc2c1S(=O)(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001463307441 1068350872 /nfs/dbraw/zinc/35/08/72/1068350872.db2.gz JCKTUWXRUBMOTL-CYBMUJFWSA-N 0 0 453.372 4.922 20 30 JJEDRN N#CCCc1ccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1 ZINC001463330907 1068358721 /nfs/dbraw/zinc/35/87/21/1068358721.db2.gz KNDYHBLGJKZLEZ-UHFFFAOYSA-N 0 0 459.493 4.948 20 30 JJEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001463382271 1068378473 /nfs/dbraw/zinc/37/84/73/1068378473.db2.gz VAGWQAGSMBCDRV-KRWDZBQOSA-N 0 0 457.905 4.937 20 30 JJEDRN C[C@]1(C#N)CCCN(S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)C1 ZINC001463401676 1068385356 /nfs/dbraw/zinc/38/53/56/1068385356.db2.gz SPVKLODKTUSGES-LJQANCHMSA-N 0 0 453.333 4.695 20 30 JJEDRN Cc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC001463563246 1068444934 /nfs/dbraw/zinc/44/49/34/1068444934.db2.gz KDIRDLIIHGERIC-UHFFFAOYSA-N 0 0 452.363 4.600 20 30 JJEDRN O=S(=O)(c1cccc(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001463579329 1068453752 /nfs/dbraw/zinc/45/37/52/1068453752.db2.gz RDNDGUCADRUJJI-MRXNPFEDSA-N 0 0 457.367 4.626 20 30 JJEDRN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC001463585929 1068457544 /nfs/dbraw/zinc/45/75/44/1068457544.db2.gz HKFGNUDCESVKDR-VWLOTQADSA-N 0 0 456.933 4.756 20 30 JJEDRN CC(C)(NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1 ZINC001463637971 1068477567 /nfs/dbraw/zinc/47/75/67/1068477567.db2.gz AXEBNLAJBYMGTI-UHFFFAOYSA-N 0 0 452.376 4.689 20 30 JJEDRN N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001463642027 1068478933 /nfs/dbraw/zinc/47/89/33/1068478933.db2.gz RLQBXYYNZZUFLL-GOSISDBHSA-N 0 0 453.442 4.791 20 30 JJEDRN N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001463642038 1068478948 /nfs/dbraw/zinc/47/89/48/1068478948.db2.gz RLQBXYYNZZUFLL-SFHVURJKSA-N 0 0 453.442 4.791 20 30 JJEDRN N#Cc1cc(S(=O)(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)ccc1C(F)(F)F ZINC001463686447 1068493607 /nfs/dbraw/zinc/49/36/07/1068493607.db2.gz CFKIQVJGDRZUFZ-IBGZPJMESA-N 0 0 458.889 4.677 20 30 JJEDRN C#C[C@@H](NS(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001463775362 1068521610 /nfs/dbraw/zinc/52/16/10/1068521610.db2.gz MMDQWQMLGDFWGT-OAHLLOKOSA-N 0 0 450.301 4.714 20 30 JJEDRN C#C[C@H](NS(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001463775361 1068521724 /nfs/dbraw/zinc/52/17/24/1068521724.db2.gz MMDQWQMLGDFWGT-HNNXBMFYSA-N 0 0 450.301 4.714 20 30 JJEDRN CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001463792932 1068525698 /nfs/dbraw/zinc/52/56/98/1068525698.db2.gz PEASQFPRMZZVJO-QGZVFWFLSA-N 0 0 458.889 4.771 20 30 JJEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccc(Br)cc3c2)CC1 ZINC001463793905 1068526277 /nfs/dbraw/zinc/52/62/77/1068526277.db2.gz IAYLLIIFDFNWJA-JOCHJYFZSA-N 0 0 452.327 4.764 20 30 JJEDRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001463798290 1068528725 /nfs/dbraw/zinc/52/87/25/1068528725.db2.gz UUJVGDLGSKYUGD-IBGZPJMESA-N 0 0 455.345 4.980 20 30 JJEDRN N#CCc1ccc(S(=O)(=O)Oc2cc(Br)cc(C(F)(F)F)c2)c(Cl)c1 ZINC001463819799 1068535650 /nfs/dbraw/zinc/53/56/50/1068535650.db2.gz QUXAYNBXFUBCCQ-UHFFFAOYSA-N 0 0 454.651 4.955 20 30 JJEDRN CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001463848401 1068546895 /nfs/dbraw/zinc/54/68/95/1068546895.db2.gz RGNHODDVXNEQKA-HXUWFJFHSA-N 0 0 453.536 4.989 20 30 JJEDRN Cc1cc(C2(NS(=O)(=O)Cc3csc(C#N)c3)CCCCC2)ccc1Br ZINC001463893380 1068557745 /nfs/dbraw/zinc/55/77/45/1068557745.db2.gz JTPVHRQAVVQQRG-UHFFFAOYSA-N 0 0 453.427 4.970 20 30 JJEDRN COc1cccc(N(CC(=O)Nc2cccc(C#Cc3ccccn3)c2)C(=O)OC(C)(C)C)c1 ZINC001463900435 1068559976 /nfs/dbraw/zinc/55/99/76/1068559976.db2.gz XWAVKEJOQCYCAC-UHFFFAOYSA-N 0 0 457.530 4.870 20 30 JJEDRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 ZINC001546142636 1068562140 /nfs/dbraw/zinc/56/21/40/1068562140.db2.gz OETAYWTZHWZCLT-VWLOTQADSA-N 0 0 474.625 4.805 20 30 JJEDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Br)cc1)O[C@@H](C)C2 ZINC001464015022 1068589200 /nfs/dbraw/zinc/58/92/00/1068589200.db2.gz GLOGDWXXOXFUEY-SIXJUCDHSA-N 0 0 455.352 4.656 20 30 JJEDRN N#C[C@H](NC(=O)c1cc2c(ccc(Br)c2F)[nH]1)c1ccc(Br)cc1 ZINC001464014892 1068589342 /nfs/dbraw/zinc/58/93/42/1068589342.db2.gz QUESUNNNFVAWMO-HNNXBMFYSA-N 0 0 451.093 4.827 20 30 JJEDRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1=O ZINC001464019771 1068591122 /nfs/dbraw/zinc/59/11/22/1068591122.db2.gz RXHIZYAUHJHEPF-RIFZZMRRSA-N 0 0 454.368 4.697 20 30 JJEDRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1ccc(CCC#N)cc1 ZINC001464034891 1068595206 /nfs/dbraw/zinc/59/52/06/1068595206.db2.gz OCXAKAYGZSKSJI-NRFANRHFSA-N 0 0 452.498 4.827 20 30 JJEDRN COc1c(Br)cc(Cl)cc1S(=O)(=O)Oc1c(Cl)cc(F)cc1C#N ZINC001464039822 1068597016 /nfs/dbraw/zinc/59/70/16/1068597016.db2.gz WZCLIWFAOQDNNK-UHFFFAOYSA-N 0 0 455.088 4.543 20 30 JJEDRN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001464059133 1068602381 /nfs/dbraw/zinc/60/23/81/1068602381.db2.gz PTDTWLFOXSNKHU-DOMZBBRYSA-N 0 0 451.224 4.933 20 30 JJEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001464064527 1068603663 /nfs/dbraw/zinc/60/36/63/1068603663.db2.gz GYYQJUURYYBGLQ-UHFFFAOYSA-N 0 0 457.484 4.634 20 30 JJEDRN N#Cc1cccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1Br ZINC001464134138 1068628422 /nfs/dbraw/zinc/62/84/22/1068628422.db2.gz ZUKOMBHGVRSJIO-KRWDZBQOSA-N 0 0 450.739 4.680 20 30 JJEDRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001464163260 1068638992 /nfs/dbraw/zinc/63/89/92/1068638992.db2.gz AIQGIGJCUHHOSB-UHFFFAOYSA-N 0 0 455.330 4.535 20 30 JJEDRN CC(C)(C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(C#N)cc1 ZINC001464165384 1068640285 /nfs/dbraw/zinc/64/02/85/1068640285.db2.gz QREZFWQBAWTURV-UHFFFAOYSA-N 0 0 455.486 4.554 20 30 JJEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC001464187491 1068648333 /nfs/dbraw/zinc/64/83/33/1068648333.db2.gz HTCCNZRNRMZXGT-UHFFFAOYSA-N 0 0 452.532 4.622 20 30 JJEDRN C#Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)cn1 ZINC001464209499 1068659316 /nfs/dbraw/zinc/65/93/16/1068659316.db2.gz YPVRWKDEIWSICR-OAQYLSRUSA-N 0 0 456.398 4.961 20 30 JJEDRN C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1c(C)c(C)nn1C ZINC001464212067 1068659886 /nfs/dbraw/zinc/65/98/86/1068659886.db2.gz BFNNTYPYYLJYOH-DEOSSOPVSA-N 0 0 458.562 4.849 20 30 JJEDRN C#CCN(CC(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OC(C)(C)C ZINC001464231543 1068666970 /nfs/dbraw/zinc/66/69/70/1068666970.db2.gz GQXBFJCVHIOLQF-UHFFFAOYSA-N 0 0 450.322 4.990 20 30 JJEDRN CC(C)(CO)c1nc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)ccc2[nH]1 ZINC001464276560 1068686882 /nfs/dbraw/zinc/68/68/82/1068686882.db2.gz WVYMFLUEERHWPG-UHFFFAOYSA-N 0 0 454.530 4.730 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)[nH]n1 ZINC001464291070 1068693446 /nfs/dbraw/zinc/69/34/46/1068693446.db2.gz CDGRPUNVAGOCOX-OAQYLSRUSA-N 0 0 450.926 4.707 20 30 JJEDRN CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)c1 ZINC001464305057 1068699006 /nfs/dbraw/zinc/69/90/06/1068699006.db2.gz JUCSPBQGVCKGOM-UHFFFAOYSA-N 0 0 458.992 4.745 20 30 JJEDRN O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001464306085 1068699632 /nfs/dbraw/zinc/69/96/32/1068699632.db2.gz PWAPEZVINOOEBC-YHYXMXQVSA-N 0 0 450.413 4.993 20 30 JJEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCC(=O)Nc2c(F)cccc2F)cc1 ZINC001464316879 1068702591 /nfs/dbraw/zinc/70/25/91/1068702591.db2.gz KDCNDNRMBHXPDU-UHFFFAOYSA-N 0 0 451.448 4.923 20 30 JJEDRN C=CCCC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)c1ccccc1 ZINC001464379664 1068724640 /nfs/dbraw/zinc/72/46/40/1068724640.db2.gz KJZLYJMDGOATOF-KRWDZBQOSA-N 0 0 452.370 4.612 20 30 JJEDRN N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CC[C@@H](Nc4ccccn4)CC3)s2)cc1 ZINC001464401817 1068733728 /nfs/dbraw/zinc/73/37/28/1068733728.db2.gz RJKUCIBNQIJKAQ-HDICACEKSA-N 0 0 450.593 4.706 20 30 JJEDRN CN([C@@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC001464431585 1068742823 /nfs/dbraw/zinc/74/28/23/1068742823.db2.gz JQDNKIAZJZWOSV-NRFANRHFSA-N 0 0 459.340 4.870 20 30 JJEDRN CCOc1ccc(C#N)cc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC ZINC001464443148 1068747745 /nfs/dbraw/zinc/74/77/45/1068747745.db2.gz JYFWINOMURSDIG-IBGZPJMESA-N 0 0 453.539 4.950 20 30 JJEDRN Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1NC(=O)CN1CCCCC1 ZINC001464542698 1068777201 /nfs/dbraw/zinc/77/72/01/1068777201.db2.gz AIISYWYXHIIMNT-UHFFFAOYSA-N 0 0 457.578 4.930 20 30 JJEDRN N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(I)c3N)cc2)cc1 ZINC001464554116 1068779604 /nfs/dbraw/zinc/77/96/04/1068779604.db2.gz NVXLODRZRVQDEH-UHFFFAOYSA-N 0 0 455.255 4.790 20 30 JJEDRN CCCCOc1ccc(S(=O)(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1C(C)C ZINC001464596461 1068794313 /nfs/dbraw/zinc/79/43/13/1068794313.db2.gz QOXRXCHJZABYBN-FQEVSTJZSA-N 0 0 456.612 4.521 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC001464632080 1068804204 /nfs/dbraw/zinc/80/42/04/1068804204.db2.gz FVFOZQINDQHZOK-GOSISDBHSA-N 0 0 454.575 4.685 20 30 JJEDRN COc1ccc(-c2nc(CCNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)co2)cc1 ZINC001464659284 1068814779 /nfs/dbraw/zinc/81/47/79/1068814779.db2.gz HKRGVSANSNMNQB-UHFFFAOYSA-N 0 0 453.498 4.773 20 30 JJEDRN CCCC[C@H](ON=C(C)C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC001464681630 1068823214 /nfs/dbraw/zinc/82/32/14/1068823214.db2.gz DTEDQKVDXZXSNA-IBGZPJMESA-N 0 0 452.393 4.597 20 30 JJEDRN N#Cc1ccc(C2CCN(S(=O)(=O)Cc3cccc(Cl)c3Br)CC2)cc1 ZINC001464685906 1068825195 /nfs/dbraw/zinc/82/51/95/1068825195.db2.gz INNZVNREHIPVGT-UHFFFAOYSA-N 0 0 453.789 4.684 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3 ZINC001464725391 1068839268 /nfs/dbraw/zinc/83/92/68/1068839268.db2.gz UAVLSIIVEIVRBM-UHFFFAOYSA-N 0 0 456.359 4.886 20 30 JJEDRN C=CCn1c2nnc(SCC(=O)N(CC)c3cccc4ccccc43)n2c2ccccc2c1=O ZINC000003294959 194269640 /nfs/dbraw/zinc/26/96/40/194269640.db2.gz ASNQZYJUXNPKRC-UHFFFAOYSA-N 0 0 469.570 4.529 20 30 JJEDRN C=CCn1c2nnc(SCC(=O)Nc3ccccc3Oc3ccccc3)n2c2ccccc2c1=O ZINC000003338315 194289081 /nfs/dbraw/zinc/28/90/81/194289081.db2.gz BGWCHNBFTQIAEM-UHFFFAOYSA-N 0 0 483.553 4.753 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001164424338 718937436 /nfs/dbraw/zinc/93/74/36/718937436.db2.gz OBTXEZGYLLMIMY-UHFFFAOYSA-N 0 0 477.870 4.592 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H](N4CCCC4=O)[C@H]4OCCC[C@H]4C3)cc2c1Cl ZINC001164648178 719306379 /nfs/dbraw/zinc/30/63/79/719306379.db2.gz QFLQQDXZHWXXBO-NVMYHKGLSA-N 0 0 495.357 4.564 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc5c(Cl)nccc5c4)C3)C2)n1 ZINC001164664603 719358800 /nfs/dbraw/zinc/35/88/00/719358800.db2.gz OXCNTTDMYOPXDR-XMMPIXPASA-N 0 0 483.950 4.823 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cccc5c(Cl)nccc54)C3)C2)n1 ZINC001164666000 719358923 /nfs/dbraw/zinc/35/89/23/719358923.db2.gz ZRUFKYWAPUEUJE-DEOSSOPVSA-N 0 0 483.950 4.823 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)C2)n1 ZINC001164665780 719359255 /nfs/dbraw/zinc/35/92/55/719359255.db2.gz YXWAPRPTFJWHQG-HSZRJFAPSA-N 0 0 473.955 4.547 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccnc3)cc2c1Cl ZINC001164692506 719778263 /nfs/dbraw/zinc/77/82/63/719778263.db2.gz UIHHSNKMTBPRGS-RBUKOAKNSA-N 0 0 488.325 4.733 20 30 JJEDRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)CC2 ZINC001164695586 719788977 /nfs/dbraw/zinc/78/89/77/719788977.db2.gz MTKOJAFOJLJPBM-UHFFFAOYSA-N 0 0 485.922 4.850 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)[C@@H]2CC ZINC001164701310 719823318 /nfs/dbraw/zinc/82/33/18/719823318.db2.gz OPELKADWFVSCEX-GCJKJVERSA-N 0 0 461.944 4.663 20 30 JJEDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(-c2ccccc2)c(-c2ccccc2)cc1C#N ZINC001164700266 719878606 /nfs/dbraw/zinc/87/86/06/719878606.db2.gz IWHLDEGYXNLRNB-RNAHPLFWSA-N 0 0 496.611 4.520 20 30 JJEDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(-c2ccccc2)c(-c2ccccc2)cc1C#N ZINC001164700267 719878881 /nfs/dbraw/zinc/87/88/81/719878881.db2.gz IWHLDEGYXNLRNB-SETSBSEESA-N 0 0 496.611 4.520 20 30 JJEDRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3ccc(Cl)nc3C#N)CC1)nc2-c1cccnc1 ZINC001164698964 719880879 /nfs/dbraw/zinc/88/08/79/719880879.db2.gz GJWQRLREPOWQRZ-UHFFFAOYSA-N 0 0 479.922 4.879 20 30 JJEDRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)[C@H]3CCCO[C@@H]23)cs1 ZINC001164825934 720386603 /nfs/dbraw/zinc/38/66/03/720386603.db2.gz VXMWUXOHMBFZPH-ZMSDIMECSA-N 0 0 475.348 4.523 20 30 JJEDRN CC[C@H]1N(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)CCC[C@]12CCC(=O)N2 ZINC001164844712 720760189 /nfs/dbraw/zinc/76/01/89/720760189.db2.gz COPCROMQICPNIA-UZLBHIALSA-N 0 0 453.320 4.986 20 30 JJEDRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)C2=O)c1 ZINC001164849362 720806341 /nfs/dbraw/zinc/80/63/41/720806341.db2.gz GFUVEYBSHTZHGE-NRFANRHFSA-N 0 0 465.331 4.742 20 30 JJEDRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164851679 720830183 /nfs/dbraw/zinc/83/01/83/720830183.db2.gz YGNDXZKIRGUKJN-PXNSSMCTSA-N 0 0 456.320 4.980 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)cnc2Cl)c1 ZINC001164762381 721011993 /nfs/dbraw/zinc/01/19/93/721011993.db2.gz VHTRTZVTPIFZLF-ZRBLBEILSA-N 0 0 482.918 4.634 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001164874241 721254362 /nfs/dbraw/zinc/25/43/62/721254362.db2.gz JXQSFFQWWAPPLX-ZHRRBRCNSA-N 0 0 495.357 4.753 20 30 JJEDRN CCN1CC[C@]2(CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C[C@H]2C)C1=O ZINC001164779307 721323462 /nfs/dbraw/zinc/32/34/62/721323462.db2.gz XBPMOXYELOXLGO-MPBGBICISA-N 0 0 453.320 4.653 20 30 JJEDRN CCN1CC[C@]2(CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C[C@@H]2C)C1=O ZINC001164779304 721323494 /nfs/dbraw/zinc/32/34/94/721323494.db2.gz XBPMOXYELOXLGO-FKIZINRSSA-N 0 0 453.320 4.653 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)c1 ZINC001164883147 721360729 /nfs/dbraw/zinc/36/07/29/721360729.db2.gz NPPMMNUWOIZTQF-MOPGFXCFSA-N 0 0 471.920 4.659 20 30 JJEDRN CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2 ZINC001164888558 721377959 /nfs/dbraw/zinc/37/79/59/721377959.db2.gz KBZXWVPHYDMEMQ-JOCHJYFZSA-N 0 0 494.995 4.603 20 30 JJEDRN COc1cc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3csc(C)n3)C2)c(C#N)c(Cl)n1 ZINC001164784700 721444456 /nfs/dbraw/zinc/44/44/56/721444456.db2.gz QHHYWUWVDWRZLN-YCRPNKLZSA-N 0 0 498.983 4.517 20 30 JJEDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)CC[C@@H]21 ZINC001164890611 721468001 /nfs/dbraw/zinc/46/80/01/721468001.db2.gz JXMHIJGSMOOCRV-NQIIRXRSSA-N 0 0 458.940 4.902 20 30 JJEDRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)CC2)Oc2ccccc21 ZINC001164801670 721593094 /nfs/dbraw/zinc/59/30/94/721593094.db2.gz FFENCGBYMMVFJO-SFHVURJKSA-N 0 0 488.966 4.972 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001164797243 721605629 /nfs/dbraw/zinc/60/56/29/721605629.db2.gz AUSRODHOJSXWIC-HXUWFJFHSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001164803293 721605714 /nfs/dbraw/zinc/60/57/14/721605714.db2.gz VCSHTUGCRVVYJX-HXUWFJFHSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1cc(C(F)(F)N2C[C@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)cc(Cl)n1 ZINC001164910590 721740755 /nfs/dbraw/zinc/74/07/55/721740755.db2.gz GPIHRTHUOCEAFE-ZJSXRUAMSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@H](c2ccccc2)[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164911196 721741324 /nfs/dbraw/zinc/74/13/24/721741324.db2.gz IOTVMIMTKXHGOU-QPPBQGQZSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)c(Cl)nn2)c1 ZINC001165016916 721773443 /nfs/dbraw/zinc/77/34/43/721773443.db2.gz QFFDJRBNRZIMGW-PXNSSMCTSA-N 0 0 483.906 4.548 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c(Cl)nn2)c1 ZINC001165016905 721773485 /nfs/dbraw/zinc/77/34/85/721773485.db2.gz QFFDJRBNRZIMGW-FXAWDEMLSA-N 0 0 483.906 4.548 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)cnc2Cl)cc1 ZINC001164921336 721841382 /nfs/dbraw/zinc/84/13/82/721841382.db2.gz NWFICMQPZCNLJT-OFVILXPXSA-N 0 0 496.945 4.883 20 30 JJEDRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@@H]12 ZINC001164949332 721964836 /nfs/dbraw/zinc/96/48/36/721964836.db2.gz WXIUVYNQIUYSAS-NQIIRXRSSA-N 0 0 465.331 4.574 20 30 JJEDRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@@H]21 ZINC001164952498 722003107 /nfs/dbraw/zinc/00/31/07/722003107.db2.gz MYLBIFMCMFQLHE-DZGCQCFKSA-N 0 0 460.315 4.982 20 30 JJEDRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4nc(Cl)c(C#N)c(C(F)(F)F)n4)C3)CC2=O)s1 ZINC001164960439 722044503 /nfs/dbraw/zinc/04/45/03/722044503.db2.gz KQPJFWGODYLEAH-QGZVFWFLSA-N 0 0 491.873 4.569 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)cnc2Cl)cc1 ZINC001164956566 722049312 /nfs/dbraw/zinc/04/93/12/722049312.db2.gz ASZKPBQBVLVVHI-FXAWDEMLSA-N 0 0 468.891 4.762 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)Cc3ccccc3CNC4=O)c(Cl)nn2)cc1 ZINC001164968221 722078593 /nfs/dbraw/zinc/07/85/93/722078593.db2.gz WPAQWVHHZVIGRN-UHFFFAOYSA-N 0 0 493.945 4.673 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CC(C(=O)NC5CCC5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164970380 722086295 /nfs/dbraw/zinc/08/62/95/722086295.db2.gz DHJSICCCFCEJIO-RTBURBONSA-N 0 0 470.951 4.950 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)CCO2 ZINC001164980411 722169007 /nfs/dbraw/zinc/16/90/07/722169007.db2.gz XWMLIWNGXDCSRS-HRFSGMKKSA-N 0 0 482.694 4.744 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)CCO2 ZINC001164978143 722169979 /nfs/dbraw/zinc/16/99/79/722169979.db2.gz QVOACJUHUMGHKZ-CVDCTZTESA-N 0 0 474.939 4.792 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3ccccc3OC)nnc1Cl)CCO2 ZINC001164979702 722170050 /nfs/dbraw/zinc/17/00/50/722170050.db2.gz VSPVTHPMBGHBDZ-SBUREZEXSA-N 0 0 479.955 4.929 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)CCO2 ZINC001164973703 722170073 /nfs/dbraw/zinc/17/00/73/722170073.db2.gz CANPSXHIZTYQPG-JTSKRJEESA-N 0 0 494.926 4.828 20 30 JJEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)CCO2 ZINC001164973704 722170074 /nfs/dbraw/zinc/17/00/74/722170074.db2.gz CANPSXHIZTYQPG-VGOFRKELSA-N 0 0 494.926 4.828 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164978115 722172549 /nfs/dbraw/zinc/17/25/49/722172549.db2.gz PUUPJQBBZAYOOO-UHFFFAOYSA-N 0 0 453.917 4.504 20 30 JJEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5cc(F)c(F)cc5c(Cl)c4C#N)CC[C@@H]32)cs1 ZINC001164993299 722186824 /nfs/dbraw/zinc/18/68/24/722186824.db2.gz YDYKLDZITCQROP-LEWJYISDSA-N 0 0 489.979 4.673 20 30 JJEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(C=C(C(=O)NCC3CC3)c3ccccc32)CC1 ZINC001164997388 722220668 /nfs/dbraw/zinc/22/06/68/722220668.db2.gz CUKIMENNFCPSFH-UHFFFAOYSA-N 0 0 468.935 4.613 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001164998316 722221037 /nfs/dbraw/zinc/22/10/37/722221037.db2.gz IIQXKXTXWYIUCP-FQEVSTJZSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001164998259 722221308 /nfs/dbraw/zinc/22/13/08/722221308.db2.gz HTVXNABEXXLVJV-NRFANRHFSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C3)C2)c1 ZINC001165003250 722258368 /nfs/dbraw/zinc/25/83/68/722258368.db2.gz FNEXAXKZEKXKOH-XMMPIXPASA-N 0 0 483.950 4.823 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)C2)c1 ZINC001165003562 722258538 /nfs/dbraw/zinc/25/85/38/722258538.db2.gz IEIDVAZQGXARMW-XMMPIXPASA-N 0 0 483.950 4.823 20 30 JJEDRN CC(C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359719678 1064267499 /nfs/dbraw/zinc/26/74/99/1064267499.db2.gz TUFJDFAPCBPOIA-MRXNPFEDSA-N 0 0 467.433 4.707 20 30 JJEDRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2Cl)C1 ZINC001359729930 1064280934 /nfs/dbraw/zinc/28/09/34/1064280934.db2.gz JVFZALLXQZCEAG-FQEVSTJZSA-N 0 0 450.974 4.817 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)CCS1 ZINC001359747978 1064331862 /nfs/dbraw/zinc/33/18/62/1064331862.db2.gz MGJGWRYCYVCVTO-VABKMULXSA-N 0 0 453.656 4.846 20 30 JJEDRN Cc1c(I)cccc1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001434912078 1064338357 /nfs/dbraw/zinc/33/83/57/1064338357.db2.gz MVRGMGGBCYRZCR-UHFFFAOYSA-N 0 0 455.255 4.911 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)Nc2nc3ccccc3n2C(C)(C)C)nnc1-c1ccco1 ZINC001434913212 1064339839 /nfs/dbraw/zinc/33/98/39/1064339839.db2.gz YGMTVSTWTUBGMX-UHFFFAOYSA-N 0 0 450.568 4.950 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC001434914604 1064341088 /nfs/dbraw/zinc/34/10/88/1064341088.db2.gz DUUNQSBGAOESGW-UHFFFAOYSA-N 0 0 450.482 4.712 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)CCS1 ZINC001359754304 1064345158 /nfs/dbraw/zinc/34/51/58/1064345158.db2.gz BTUDHYVGARVWPP-QHCPKHFHSA-N 0 0 469.655 4.513 20 30 JJEDRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1 ZINC001359756788 1064355650 /nfs/dbraw/zinc/35/56/50/1064355650.db2.gz XZUKSQOAKJDNKZ-TZIWHRDSSA-N 0 0 472.431 4.899 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC001434934555 1064360058 /nfs/dbraw/zinc/36/00/58/1064360058.db2.gz WBRQZQAJZRATOF-SFHVURJKSA-N 0 0 450.377 4.527 20 30 JJEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC001434945023 1064365829 /nfs/dbraw/zinc/36/58/29/1064365829.db2.gz QDRACDUNMCFPTB-UHFFFAOYSA-N 0 0 450.438 4.718 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001359761029 1064371005 /nfs/dbraw/zinc/37/10/05/1064371005.db2.gz BVCWOVCOWDUGMD-RTWAWAEBSA-N 0 0 489.542 4.616 20 30 JJEDRN C=CCN(CCc1ccccc1)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001434953858 1064373746 /nfs/dbraw/zinc/37/37/46/1064373746.db2.gz PXVYVYVFBHATKL-VWLOTQADSA-N 0 0 453.539 4.592 20 30 JJEDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001359762138 1064374360 /nfs/dbraw/zinc/37/43/60/1064374360.db2.gz QKPMBVLDXUGQNH-AOYPEHQESA-N 0 0 478.685 4.512 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 ZINC001359764050 1064382441 /nfs/dbraw/zinc/38/24/41/1064382441.db2.gz UITKLIHKSYNJKW-OFNKIYASSA-N 0 0 469.655 4.512 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 ZINC001359764197 1064382515 /nfs/dbraw/zinc/38/25/15/1064382515.db2.gz WXLMRWCFGAISHA-OFVILXPXSA-N 0 0 479.650 4.920 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001434996542 1064411795 /nfs/dbraw/zinc/41/17/95/1064411795.db2.gz NTCZYLJQYGUJQF-FUHWJXTLSA-N 0 0 455.368 4.796 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)COc1ccc(Br)cc1 ZINC001434997707 1064412972 /nfs/dbraw/zinc/41/29/72/1064412972.db2.gz SEOQQDOVLYOFAS-UHFFFAOYSA-N 0 0 457.137 4.944 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001435004949 1064419807 /nfs/dbraw/zinc/41/98/07/1064419807.db2.gz MOTWGHWUOMGCSY-GOSISDBHSA-N 0 0 458.559 4.510 20 30 JJEDRN C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(OC)c(I)c2)c1 ZINC001435005897 1064421218 /nfs/dbraw/zinc/42/12/18/1064421218.db2.gz WBLGTMBVVBEJOA-UHFFFAOYSA-N 0 0 457.267 4.721 20 30 JJEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001435021803 1064439740 /nfs/dbraw/zinc/43/97/40/1064439740.db2.gz BJTALCIPJLYGPC-HSZRJFAPSA-N 0 0 451.567 4.579 20 30 JJEDRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)CC2=O)cc1 ZINC001435023667 1064441260 /nfs/dbraw/zinc/44/12/60/1064441260.db2.gz GHXATOWNRYQCKZ-OAQYLSRUSA-N 0 0 455.514 4.528 20 30 JJEDRN C=CCCOCCCCC(=O)Nc1cc(I)ccc1Br ZINC001435027780 1064445573 /nfs/dbraw/zinc/44/55/73/1064445573.db2.gz BSFWLFCCFIOJEZ-UHFFFAOYSA-N 0 0 452.130 4.755 20 30 JJEDRN C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 ZINC001359803336 1064472861 /nfs/dbraw/zinc/47/28/61/1064472861.db2.gz HEQVPKLPZXSPKU-FQEVSTJZSA-N 0 0 459.949 4.800 20 30 JJEDRN CCN(C(=O)COc1ccc(C#N)cc1)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001435065252 1064485080 /nfs/dbraw/zinc/48/50/80/1064485080.db2.gz BSGYMNNVPWQFRZ-QHCPKHFHSA-N 0 0 450.336 4.733 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359817974 1064501049 /nfs/dbraw/zinc/50/10/49/1064501049.db2.gz QAUPODKXPHVRML-ATIYNZHBSA-N 0 0 465.642 4.847 20 30 JJEDRN Cc1cc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)nn1-c1cccc(C#N)c1 ZINC001359818745 1064502329 /nfs/dbraw/zinc/50/23/29/1064502329.db2.gz KSYGNWJLDFLILW-UHFFFAOYSA-N 0 0 453.477 4.625 20 30 JJEDRN CC[C@H](C)[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107662 1064517384 /nfs/dbraw/zinc/51/73/84/1064517384.db2.gz BBJCOOOJBXZWEX-MHECFPHRSA-N 0 0 451.998 4.837 20 30 JJEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC001435109910 1064519380 /nfs/dbraw/zinc/51/93/80/1064519380.db2.gz UIFCGHPHWNMFOH-QGZVFWFLSA-N 0 0 451.592 4.939 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)ccc1OC ZINC001435132780 1064537364 /nfs/dbraw/zinc/53/73/64/1064537364.db2.gz FFYIMWBUDLTGJZ-FQEVSTJZSA-N 0 0 453.539 4.582 20 30 JJEDRN CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001359859150 1064547201 /nfs/dbraw/zinc/54/72/01/1064547201.db2.gz WSNFAYMTYUUVBS-BWKNWUBXSA-N 0 0 458.949 4.598 20 30 JJEDRN C#CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001435174067 1064568451 /nfs/dbraw/zinc/56/84/51/1064568451.db2.gz CYYVMPGOCKIUDS-NRFANRHFSA-N 0 0 452.352 4.634 20 30 JJEDRN C#CCN(C(=O)c1cccc(OC(F)(F)F)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC001435174656 1064568467 /nfs/dbraw/zinc/56/84/67/1064568467.db2.gz HUUAWSRDZNSZIV-KRWDZBQOSA-N 0 0 454.242 4.947 20 30 JJEDRN C#CCN(C(=O)Cc1cccc(OC/C=C/C)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC001435175984 1064569400 /nfs/dbraw/zinc/56/94/00/1064569400.db2.gz PDSGUVOFTABTJE-YXMLYAQVSA-N 0 0 454.364 4.932 20 30 JJEDRN C#CCN(C(=O)c1ccc(C(F)(F)F)nc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC001435176960 1064569971 /nfs/dbraw/zinc/56/99/71/1064569971.db2.gz ZUUNIQBHZWJWBE-INIZCTEOSA-N 0 0 453.258 4.771 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001359889688 1064588219 /nfs/dbraw/zinc/58/82/19/1064588219.db2.gz OSOXWAYFUYUKOU-XMMPIXPASA-N 0 0 499.457 4.741 20 30 JJEDRN CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001359898794 1064603993 /nfs/dbraw/zinc/60/39/93/1064603993.db2.gz CSLCZDYZESSKLD-FNZWTVRRSA-N 0 0 453.631 4.788 20 30 JJEDRN N#Cc1ccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)c(F)c1 ZINC001359899453 1064606189 /nfs/dbraw/zinc/60/61/89/1064606189.db2.gz BEZHKYYMRKQGGJ-UHFFFAOYSA-N 0 0 453.399 4.623 20 30 JJEDRN C[C@@]1(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1(Br)Br ZINC001435235856 1064616337 /nfs/dbraw/zinc/61/63/37/1064616337.db2.gz GJEKCYXAFPBVNM-INIZCTEOSA-N 0 0 454.187 4.799 20 30 JJEDRN C[C@]1(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1(Br)Br ZINC001435235864 1064616363 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NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)CC#Cc3ccccc3)cc2)s1 ZINC001435282508 1064659433 /nfs/dbraw/zinc/65/94/33/1064659433.db2.gz JCLRRTAOKLWKOQ-UHFFFAOYSA-N 0 0 453.361 4.586 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)O[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)CC2=O)cc1 ZINC001435282289 1064659456 /nfs/dbraw/zinc/65/94/56/1064659456.db2.gz BVFHEVFTIIPVAL-RDTXWAMCSA-N 0 0 456.342 4.777 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359926858 1064660906 /nfs/dbraw/zinc/66/09/06/1064660906.db2.gz DVKKLTDFFFSHKJ-UHFFFAOYSA-N 0 0 460.504 4.997 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1nc2cc(Cl)ccc2s1 ZINC001359926936 1064662006 /nfs/dbraw/zinc/66/20/06/1064662006.db2.gz HYSOKHHJTRINDZ-UHFFFAOYSA-N 0 0 467.002 4.813 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359927413 1064664111 /nfs/dbraw/zinc/66/41/11/1064664111.db2.gz XYBVKIFVGIGJAF-NRFANRHFSA-N 0 0 483.661 4.697 20 30 JJEDRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001359928688 1064664545 /nfs/dbraw/zinc/66/45/45/1064664545.db2.gz LFPAVCPSVVZXRR-KSSFIOAISA-N 0 0 452.530 4.972 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1Br ZINC001359929995 1064667956 /nfs/dbraw/zinc/66/79/56/1064667956.db2.gz UBIXNCMXJPZNFD-LJQANCHMSA-N 0 0 460.420 4.749 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001359930397 1064668538 /nfs/dbraw/zinc/66/85/38/1064668538.db2.gz GOZNPGDMBIZKAQ-MTPWMDRRSA-N 0 0 487.689 4.691 20 30 JJEDRN CC(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001359932765 1064671490 /nfs/dbraw/zinc/67/14/90/1064671490.db2.gz DZZKXBDIRSKILO-FQEVSTJZSA-N 0 0 469.387 4.531 20 30 JJEDRN CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001359932940 1064672079 /nfs/dbraw/zinc/67/20/79/1064672079.db2.gz KKKLNTYWBSYPPI-OAQYLSRUSA-N 0 0 483.414 4.542 20 30 JJEDRN C=CCn1c(SCC(=O)NC[C@@H](C)Oc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 ZINC001435304579 1064679378 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ALBHHVUHWXSSEX-KRWDZBQOSA-N 0 0 454.486 4.687 20 30 JJEDRN CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)CC1 ZINC001359954759 1064721476 /nfs/dbraw/zinc/72/14/76/1064721476.db2.gz PPCNJGIFBPPGPH-HSZRJFAPSA-N 0 0 451.615 4.807 20 30 JJEDRN C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)c1ccc(C#N)cc1 ZINC001435360595 1064724292 /nfs/dbraw/zinc/72/42/92/1064724292.db2.gz BKFIQGYBOKDJAF-INIZCTEOSA-N 0 0 454.935 4.955 20 30 JJEDRN CC(C)CCOCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C#N)C1 ZINC001359958686 1064729272 /nfs/dbraw/zinc/72/92/72/1064729272.db2.gz DTKHKGBPUUWROS-QGZVFWFLSA-N 0 0 496.837 4.543 20 30 JJEDRN COc1ccc([C@H]2[C@H](C(=O)Oc3ccc(Oc4ccc(C#N)cc4)cc3)CCC(=O)N2C)cc1 ZINC001435376698 1064730099 /nfs/dbraw/zinc/73/00/99/1064730099.db2.gz QHBVOVFRPKKNNB-RSXGOPAZSA-N 0 0 456.498 4.874 20 30 JJEDRN CC(C)CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359959254 1064731114 /nfs/dbraw/zinc/73/11/14/1064731114.db2.gz WBWWVLRTECFAGE-OAQYLSRUSA-N 0 0 496.656 4.715 20 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CC(C)CN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCNC(=O)C1N=CC=CC1=O)C(C)C ZINC001359986054 1064765874 /nfs/dbraw/zinc/76/58/74/1064765874.db2.gz WYIOLKOFCKLYHS-BZZOAKBMSA-N 0 0 496.681 4.673 20 30 JJEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001359995309 1064780326 /nfs/dbraw/zinc/78/03/26/1064780326.db2.gz IBBHYRGRONJAPT-GOSISDBHSA-N 0 0 452.603 4.602 20 30 JJEDRN Cc1ccc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(OC[C@@H]2CCOC2)c1 ZINC001435478173 1064780778 /nfs/dbraw/zinc/78/07/78/1064780778.db2.gz VSULVLMKWATWOH-OAQYLSRUSA-N 0 0 456.542 4.791 20 30 JJEDRN CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1F ZINC001435497446 1064790228 /nfs/dbraw/zinc/79/02/28/1064790228.db2.gz JPJWAKSSIPULDJ-UHFFFAOYSA-N 0 0 458.898 4.940 20 30 JJEDRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@@](C)(C#N)CCc4ccccc4)cc3C2=O)c1 ZINC001435501742 1064791614 /nfs/dbraw/zinc/79/16/14/1064791614.db2.gz YLVMDHODUUFQOR-MUUNZHRXSA-N 0 0 451.526 4.749 20 30 JJEDRN 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ZINC001360048988 1064870645 /nfs/dbraw/zinc/87/06/45/1064870645.db2.gz LYLUXDSGARYBHA-MRXNPFEDSA-N 0 0 471.403 4.857 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1C#N ZINC001435626918 1064887785 /nfs/dbraw/zinc/88/77/85/1064887785.db2.gz YTBOIEOUQWCMTJ-HSZRJFAPSA-N 0 0 455.470 4.833 20 30 JJEDRN N#Cc1cccc(-c2csc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)n2)c1 ZINC001435630412 1064891916 /nfs/dbraw/zinc/89/19/16/1064891916.db2.gz CYDMYTWEZDPZKH-UHFFFAOYSA-N 0 0 451.558 4.633 20 30 JJEDRN COC(=O)[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc2ccccc2c1 ZINC001435646384 1064904860 /nfs/dbraw/zinc/90/48/60/1064904860.db2.gz HZKRHPFIWZPGOH-SANMLTNESA-N 0 0 450.494 4.935 20 30 JJEDRN CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001360069414 1064914933 /nfs/dbraw/zinc/91/49/33/1064914933.db2.gz JHTIJBFVNRDZQR-XZOQPEGZSA-N 0 0 451.615 4.522 20 30 JJEDRN CC(C)COCCCn1c(C2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001360070167 1064916293 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COCc1c(Br)cccc1NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001360214790 1065083791 /nfs/dbraw/zinc/08/37/91/1065083791.db2.gz QMCUMWAVGSZTRV-KRWDZBQOSA-N 0 0 454.365 4.511 20 30 JJEDRN C#C[C@H](NC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1)[C@H]1CCCO1 ZINC001435966418 1065084766 /nfs/dbraw/zinc/08/47/66/1065084766.db2.gz PDQRZBRNBZVLLF-LEWJYISDSA-N 0 0 451.364 4.827 20 30 JJEDRN N#Cc1ccc(OCC(=O)OCc2ccc(Cl)cc2Br)cc1Br ZINC001435985949 1065092911 /nfs/dbraw/zinc/09/29/11/1065092911.db2.gz PEUGGUYWSZMLRN-UHFFFAOYSA-N 0 0 459.521 4.859 20 30 JJEDRN COc1ccccc1C[C@@H]1CCC[C@@H]1OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001435986044 1065093343 /nfs/dbraw/zinc/09/33/43/1065093343.db2.gz FHUIPEQEBRWBTE-GWJPWWOOSA-N 0 0 452.938 4.528 20 30 JJEDRN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC001360236011 1065094101 /nfs/dbraw/zinc/09/41/01/1065094101.db2.gz GLYHSARTAIKDPZ-HNAYVOBHSA-N 0 0 457.983 4.680 20 30 JJEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 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C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001360471624 1065391621 /nfs/dbraw/zinc/39/16/21/1065391621.db2.gz LCYHMXMTYHOCAW-MRXNPFEDSA-N 0 0 475.940 4.625 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC(F)(F)Br ZINC001360471547 1065391688 /nfs/dbraw/zinc/39/16/88/1065391688.db2.gz JNICLKNQNOMQRG-SECBINFHSA-N 0 0 481.114 4.573 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)c1ccccn1 ZINC001360472143 1065392142 /nfs/dbraw/zinc/39/21/42/1065392142.db2.gz WUNZBECDVQTWCL-INIZCTEOSA-N 0 0 453.388 4.819 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001360471696 1065392189 /nfs/dbraw/zinc/39/21/89/1065392189.db2.gz MOGRUKWWBDIWLI-DOADOZAASA-N 0 0 485.032 4.840 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1cc(C(F)(F)F)ccn1 ZINC001360473942 1065393559 /nfs/dbraw/zinc/39/35/59/1065393559.db2.gz CWAOQUYMBVTVIS-MRXNPFEDSA-N 0 0 467.499 4.832 20 30 JJEDRN CC(C)n1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCOC2CCCCC2)c2ccccc2c1=O ZINC001360473908 1065393645 /nfs/dbraw/zinc/39/36/45/1065393645.db2.gz BYUFVSXPUZXZAR-HXUWFJFHSA-N 0 0 491.640 4.714 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1sccc1Br ZINC001360474422 1065394099 /nfs/dbraw/zinc/39/40/99/1065394099.db2.gz NUTZULGSRIXVOO-OAHLLOKOSA-N 0 0 482.411 4.741 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(F)c(Cl)c1 ZINC001360475392 1065394685 /nfs/dbraw/zinc/39/46/85/1065394685.db2.gz AAHXLAXWOPFXNU-WMZOPIPTSA-N 0 0 491.011 4.972 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOc2ccccc21 ZINC001360476846 1065395276 /nfs/dbraw/zinc/39/52/76/1065395276.db2.gz RVYRDRRDRAUWBT-HKBOAZHASA-N 0 0 494.640 4.697 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001360478804 1065395817 /nfs/dbraw/zinc/39/58/17/1065395817.db2.gz NLAFQNDLHWKFCL-HNNXBMFYSA-N 0 0 493.484 4.801 20 30 JJEDRN 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N#Cc1ccc(F)c(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001436644045 1065414603 /nfs/dbraw/zinc/41/46/03/1065414603.db2.gz TVBODDGOCZTOTH-UHFFFAOYSA-N 0 0 457.383 4.986 20 30 JJEDRN C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1F ZINC001436652989 1065419074 /nfs/dbraw/zinc/41/90/74/1065419074.db2.gz PVWMNSITJSSOBF-RBUKOAKNSA-N 0 0 453.728 4.881 20 30 JJEDRN C[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 ZINC001360505274 1065439777 /nfs/dbraw/zinc/43/97/77/1065439777.db2.gz KYLOLCINPARKFV-SJORKVTESA-N 0 0 455.404 4.978 20 30 JJEDRN CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)c(C#N)cn1CC ZINC001436862104 1065454699 /nfs/dbraw/zinc/45/46/99/1065454699.db2.gz NVAMYLUGFLBBDU-UHFFFAOYSA-N 0 0 457.490 4.629 20 30 JJEDRN N#Cc1ccc(N(Cc2ccccc2)C(=O)c2cnn(-c3cccc(Br)c3)c2)nc1 ZINC001436867840 1065457258 /nfs/dbraw/zinc/45/72/58/1065457258.db2.gz OXPGBWQVYLOWQG-UHFFFAOYSA-N 0 0 458.319 4.748 20 30 JJEDRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C#N)CC1 ZINC001360513985 1065463425 /nfs/dbraw/zinc/46/34/25/1065463425.db2.gz LFUVKBDACSEGEE-GOSISDBHSA-N 0 0 478.597 4.934 20 30 JJEDRN Cc1c(NC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc(Br)c1C#N ZINC001436938897 1065477438 /nfs/dbraw/zinc/47/74/38/1065477438.db2.gz QOXJJLWVUFNOAA-HNNXBMFYSA-N 0 0 450.377 4.995 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn(C(C)(C)C)c1Br ZINC001436998404 1065491083 /nfs/dbraw/zinc/49/10/83/1065491083.db2.gz PCXWVYMIGCUDOX-GFCCVEGCSA-N 0 0 457.294 4.974 20 30 JJEDRN Cn1c(Cc2cccs2)nc2cc(C(=O)Nc3ccc(Br)c(C#N)n3)ccc21 ZINC001437011344 1065494655 /nfs/dbraw/zinc/49/46/55/1065494655.db2.gz YNLCUSBSKFGXOK-UHFFFAOYSA-N 0 0 452.337 4.507 20 30 JJEDRN CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1 ZINC001437071355 1065505638 /nfs/dbraw/zinc/50/56/38/1065505638.db2.gz JJACDPKPXUUHON-UHFFFAOYSA-N 0 0 457.367 4.773 20 30 JJEDRN COc1ccc(Cl)cc1CC(=O)Oc1c(Br)cc(C#N)cc1Br ZINC001437080504 1065508119 /nfs/dbraw/zinc/50/81/19/1065508119.db2.gz DNOBUDWBAZBSJC-UHFFFAOYSA-N 0 0 459.521 4.893 20 30 JJEDRN C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360541353 1065528073 /nfs/dbraw/zinc/52/80/73/1065528073.db2.gz JYIDYJFJROLPEX-XLIONFOSSA-N 0 0 493.637 4.570 20 30 JJEDRN C#CCN(C(=O)c1ccc(OC(F)F)cc1F)[C@@H]1CCOc2ccc(Br)cc21 ZINC001360556829 1065546208 /nfs/dbraw/zinc/54/62/08/1065546208.db2.gz DXDSSKANWQMBKT-QGZVFWFLSA-N 0 0 454.242 4.789 20 30 JJEDRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1cnn(CCC#N)c1C ZINC001360560655 1065551311 /nfs/dbraw/zinc/55/13/11/1065551311.db2.gz ALSCAIJJXSLBGE-GFCCVEGCSA-N 0 0 458.385 4.791 20 30 JJEDRN C=CCOc1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 ZINC001360567048 1065557915 /nfs/dbraw/zinc/55/79/15/1065557915.db2.gz PNZFDPSQELUTQW-UHFFFAOYSA-N 0 0 458.558 4.582 20 30 JJEDRN O=C(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001437525530 1065567189 /nfs/dbraw/zinc/56/71/89/1065567189.db2.gz RNTOWRRSOXXJLS-BLLLJJGKSA-N 0 0 454.386 4.640 20 30 JJEDRN Cc1cc(C)c(C#N)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)n1 ZINC001437556834 1065574789 /nfs/dbraw/zinc/57/47/89/1065574789.db2.gz SGQAVTHTTNDJCA-UHFFFAOYSA-N 0 0 458.522 4.688 20 30 JJEDRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CC2(C#N)CCCCC2)cc1F ZINC001437557924 1065575209 /nfs/dbraw/zinc/57/52/09/1065575209.db2.gz KPMFMLSWVALIEX-FPOVZHCZSA-N 0 0 473.589 4.908 20 30 JJEDRN COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 ZINC001360582221 1065579586 /nfs/dbraw/zinc/57/95/86/1065579586.db2.gz QABWMBCVXDUKAH-YTTGMZPUSA-N 0 0 452.507 4.637 20 30 JJEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)cc1C ZINC001360582924 1065580829 /nfs/dbraw/zinc/58/08/29/1065580829.db2.gz ZLQBGYQLWROQGX-HSZRJFAPSA-N 0 0 459.569 4.927 20 30 JJEDRN CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2nccs2)CCS1 ZINC001360583420 1065581220 /nfs/dbraw/zinc/58/12/20/1065581220.db2.gz DADMRZQFFSQRNO-YLJYHZDGSA-N 0 0 468.652 4.567 20 30 JJEDRN C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C ZINC001360583590 1065581309 /nfs/dbraw/zinc/58/13/09/1065581309.db2.gz GROLSHSEHHSXLF-QGZVFWFLSA-N 0 0 489.020 4.506 20 30 JJEDRN C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1nccs1 ZINC001360584549 1065584241 /nfs/dbraw/zinc/58/42/41/1065584241.db2.gz XVXPDEIUFYHKEK-GHTZIAJQSA-N 0 0 480.638 4.773 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC001360585967 1065585943 /nfs/dbraw/zinc/58/59/43/1065585943.db2.gz ZQCLDGSDDUDLEG-UHFFFAOYSA-N 0 0 455.539 4.516 20 30 JJEDRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N(c1ccccc1C#N)C1CCC1 ZINC001437658028 1065588196 /nfs/dbraw/zinc/58/81/96/1065588196.db2.gz NSNROLGDTMRHAE-IBGZPJMESA-N 0 0 451.592 4.629 20 30 JJEDRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CCC#N)CC1CC1)c1ccccc1 ZINC001360587097 1065588427 /nfs/dbraw/zinc/58/84/27/1065588427.db2.gz KOKTUOWNGWWVBZ-PTUXOGIPSA-N 0 0 478.641 4.983 20 30 JJEDRN C=CCC1(NC(=O)c2c(F)c(Br)ccc2I)CCCC1 ZINC001437729618 1065596278 /nfs/dbraw/zinc/59/62/78/1065596278.db2.gz OFLWELMNUALYQZ-UHFFFAOYSA-N 0 0 452.105 4.812 20 30 JJEDRN Cn1nc(C(F)(F)F)c2cc(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)cnc21 ZINC001437754469 1065601361 /nfs/dbraw/zinc/60/13/61/1065601361.db2.gz WCFINXBVEOVVDZ-UHFFFAOYSA-N 0 0 450.305 4.771 20 30 JJEDRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001360597667 1065615414 /nfs/dbraw/zinc/61/54/14/1065615414.db2.gz OVZXLNCZLFXMLQ-KOSHJBKYSA-N 0 0 457.599 4.903 20 30 JJEDRN COc1ccc(F)c(CNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 ZINC001437905896 1065629143 /nfs/dbraw/zinc/62/91/43/1065629143.db2.gz BSUOWCWEVQBXSQ-UHFFFAOYSA-N 0 0 455.326 4.647 20 30 JJEDRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001360606259 1065631382 /nfs/dbraw/zinc/63/13/82/1065631382.db2.gz ALRNRTZWSDMZCG-FUKQBSRTSA-N 0 0 478.641 4.992 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H](C#N)c1ccccc1Br)c1ccccc1 ZINC001437938658 1065633543 /nfs/dbraw/zinc/63/35/43/1065633543.db2.gz FXBNZKRFESYABY-RBUKOAKNSA-N 0 0 458.356 4.786 20 30 JJEDRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001360609082 1065638769 /nfs/dbraw/zinc/63/87/69/1065638769.db2.gz YRIPOHOWIBGTMK-WIYYLYMNSA-N 0 0 476.581 4.564 20 30 JJEDRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001360609081 1065638779 /nfs/dbraw/zinc/63/87/79/1065638779.db2.gz YRIPOHOWIBGTMK-RXVVDRJESA-N 0 0 476.581 4.564 20 30 JJEDRN COc1cc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c(F)cc1C#N ZINC001438029880 1065655012 /nfs/dbraw/zinc/65/50/12/1065655012.db2.gz DVDVYQNPKXMXNM-QFQXNSOFSA-N 0 0 457.505 4.825 20 30 JJEDRN CC(F)(F)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001360629465 1065677305 /nfs/dbraw/zinc/67/73/05/1065677305.db2.gz ZFZQAWUHNUXQBX-HXUWFJFHSA-N 0 0 482.444 4.722 20 30 JJEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1 ZINC001438144177 1065678794 /nfs/dbraw/zinc/67/87/94/1065678794.db2.gz ZGCDVQJGMZTAFP-IBGZPJMESA-N 0 0 450.420 4.763 20 30 JJEDRN N#CCc1cccc2c1CCN(C(=O)c1ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc1)C2 ZINC001438175798 1065686703 /nfs/dbraw/zinc/68/67/03/1065686703.db2.gz XQLMFNOCQVDSHQ-UHFFFAOYSA-N 0 0 458.871 4.868 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)Nc1nc(-c2ccccn2)nc2sccc21 ZINC001438179448 1065688338 /nfs/dbraw/zinc/68/83/38/1065688338.db2.gz FTUISUCCLXVWJB-UHFFFAOYSA-N 0 0 450.321 4.569 20 30 JJEDRN C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2Cc2c(F)cc(F)c(F)c2F)CC1)C(F)(F)F ZINC001360636148 1065691535 /nfs/dbraw/zinc/69/15/35/1065691535.db2.gz BDHWFPFRKQTDOK-CYBMUJFWSA-N 0 0 493.471 4.688 20 30 JJEDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCCC2)C1 ZINC001360638307 1065702143 /nfs/dbraw/zinc/70/21/43/1065702143.db2.gz BQSOOSTVQCFGAL-PGRDOPGGSA-N 0 0 464.614 4.746 20 30 JJEDRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 ZINC001360639635 1065708248 /nfs/dbraw/zinc/70/82/48/1065708248.db2.gz RHFHPPTYDRKLIM-WMZHIEFXSA-N 0 0 492.624 4.639 20 30 JJEDRN C=CCn1c(SCC(=O)N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)nnc1-c1ccc(Cl)cc1Cl ZINC001438367512 1065716945 /nfs/dbraw/zinc/71/69/45/1065716945.db2.gz IMCOBSYRWOSWHK-IPELMVKDSA-N 0 0 481.449 4.538 20 30 JJEDRN N#Cc1ccc(C2(NC(=O)COc3ccc(C4SCCCS4)cc3)CCOCC2)cc1 ZINC001438366594 1065716959 /nfs/dbraw/zinc/71/69/59/1065716959.db2.gz PQSIAHNTVGJGME-UHFFFAOYSA-N 0 0 454.617 4.628 20 30 JJEDRN COc1cc(CN(C)C(=O)c2occc2COc2cccc(C#N)c2)c(SC)cc1OC ZINC001360648764 1065724140 /nfs/dbraw/zinc/72/41/40/1065724140.db2.gz WYHGLBFBABYMAN-UHFFFAOYSA-N 0 0 452.532 4.742 20 30 JJEDRN N#Cc1cccc(OCc2ccoc2C(=O)NCC2(c3cccc(Br)c3)CC2)c1 ZINC001360703905 1065741908 /nfs/dbraw/zinc/74/19/08/1065741908.db2.gz OSSLWPFZMVVDQL-UHFFFAOYSA-N 0 0 451.320 4.954 20 30 JJEDRN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)cc2)c1 ZINC001438759524 1065750531 /nfs/dbraw/zinc/75/05/31/1065750531.db2.gz YUNMTZWOJVJTTJ-QFIPXVFZSA-N 0 0 451.448 4.830 20 30 JJEDRN C[C@](O)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1)c1ccsc1 ZINC001360726311 1065753084 /nfs/dbraw/zinc/75/30/84/1065753084.db2.gz BHEYIGYPKTVVNB-NRFANRHFSA-N 0 0 490.402 4.556 20 30 JJEDRN C[C@@](O)(Cn1c(C2CCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC001360729553 1065757075 /nfs/dbraw/zinc/75/70/75/1065757075.db2.gz YDKNTSDVITVAFZ-GOSISDBHSA-N 0 0 480.428 4.914 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@]23CCCO3)nnc1-c1ccc(Cl)cc1Cl ZINC001438849091 1065757865 /nfs/dbraw/zinc/75/78/65/1065757865.db2.gz DIFUWPNPOOXJIT-UTKZUKDTSA-N 0 0 467.422 4.748 20 30 JJEDRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(C4CC4)c(C#N)c3)ccc2Cl)C1 ZINC001438879326 1065760904 /nfs/dbraw/zinc/76/09/04/1065760904.db2.gz WNMRMMHLFBPIRG-OAHLLOKOSA-N 0 0 457.983 4.762 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N2CCCSC[C@@H]2c2ccccc2)nnc1-c1ccco1 ZINC001438907544 1065764560 /nfs/dbraw/zinc/76/45/60/1065764560.db2.gz JCXXXZSDZZBSOY-LJQANCHMSA-N 0 0 454.621 4.913 20 30 JJEDRN C=CCCC[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)c1ccccc1 ZINC001438917248 1065766567 /nfs/dbraw/zinc/76/65/67/1065766567.db2.gz DNGNAVOPCPKBIK-HXUWFJFHSA-N 0 0 450.398 4.578 20 30 JJEDRN C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)c1ccccc1 ZINC001438923354 1065768071 /nfs/dbraw/zinc/76/80/71/1065768071.db2.gz WNPATZDEFPOHAW-RUZDIDTESA-N 0 0 454.636 4.918 20 30 JJEDRN C#C[C@H]1CC[C@H](NC(=O)[C@@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001439022925 1065778008 /nfs/dbraw/zinc/77/80/08/1065778008.db2.gz ZEQQYLLZADURKL-JFIYKMOQSA-N 0 0 451.617 4.994 20 30 JJEDRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001360745609 1065785269 /nfs/dbraw/zinc/78/52/69/1065785269.db2.gz NGEOWTRDVAYJOM-MUEKUWCCSA-N 0 0 455.578 4.628 20 30 JJEDRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cn2ccsc2n1 ZINC001360753444 1065799440 /nfs/dbraw/zinc/79/94/40/1065799440.db2.gz CPMIAGVZCDQINO-LSDHHAIUSA-N 0 0 455.975 4.567 20 30 JJEDRN 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C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC001441547364 1066049628 /nfs/dbraw/zinc/04/96/28/1066049628.db2.gz YHUAYOFSACANPT-UHFFFAOYSA-N 0 0 454.368 4.907 20 30 JJEDRN Cc1nc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)sc1C ZINC001360901012 1066054293 /nfs/dbraw/zinc/05/42/93/1066054293.db2.gz CCGAQUYEHSGPLY-DFBJGRDBSA-N 0 0 499.685 4.796 20 30 JJEDRN Cc1nc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)sc1C ZINC001360900967 1066054322 /nfs/dbraw/zinc/05/43/22/1066054322.db2.gz AOCUTNUYVILFCV-QMHKHESXSA-N 0 0 454.575 4.809 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)NC1CCCCC1 ZINC001360907331 1066061678 /nfs/dbraw/zinc/06/16/78/1066061678.db2.gz CDZNIRFIXZYNCI-QGZVFWFLSA-N 0 0 477.638 4.564 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@](C)(O)c1cccs1 ZINC001360907614 1066062110 /nfs/dbraw/zinc/06/21/10/1066062110.db2.gz LVJGEIKUFGAHQB-UPCLLVRISA-N 0 0 478.647 4.942 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)(C#N)CC1 ZINC001360911486 1066068714 /nfs/dbraw/zinc/06/87/14/1066068714.db2.gz MYJSPZQPMOKZAW-UHFFFAOYSA-N 0 0 468.403 4.502 20 30 JJEDRN Cc1ncsc1CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C#N ZINC001360918441 1066074218 /nfs/dbraw/zinc/07/42/18/1066074218.db2.gz SEARLHVCCVODDU-OAHLLOKOSA-N 0 0 463.636 4.981 20 30 JJEDRN Cc1ncsc1CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001360920155 1066075880 /nfs/dbraw/zinc/07/58/80/1066075880.db2.gz PSSSGHKYNMXKAJ-IBGZPJMESA-N 0 0 477.457 4.907 20 30 JJEDRN Cc1ccsc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C#N)CC1 ZINC001360925820 1066081894 /nfs/dbraw/zinc/08/18/94/1066081894.db2.gz CFZCOGOBOKHPBE-KDURUIRLSA-N 0 0 484.670 4.792 20 30 JJEDRN Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360926016 1066082231 /nfs/dbraw/zinc/08/22/31/1066082231.db2.gz FWWDWCXBNKPBOW-OAQYLSRUSA-N 0 0 480.638 4.520 20 30 JJEDRN N#Cc1ccc(Oc2ccc(NC(=O)[C@@H](C[C@H]3COCCO3)C(F)(F)F)cc2Cl)cc1 ZINC001441994724 1066084370 /nfs/dbraw/zinc/08/43/70/1066084370.db2.gz QVMRQNWPMXIWGE-DLBZAZTESA-N 0 0 454.832 4.926 20 30 JJEDRN Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)n1C1CCOCC1 ZINC001442035048 1066087026 /nfs/dbraw/zinc/08/70/26/1066087026.db2.gz RBVYKFGUDKPHRP-UHFFFAOYSA-N 0 0 453.593 4.724 20 30 JJEDRN Cc1nc(SCC(=O)NCC2(c3ccc(Br)cc3)CCC2)c(C#N)c(C)c1C ZINC001442082278 1066091368 /nfs/dbraw/zinc/09/13/68/1066091368.db2.gz JHCYQRWTVODZNW-UHFFFAOYSA-N 0 0 458.425 4.971 20 30 JJEDRN Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001360935320 1066095276 /nfs/dbraw/zinc/09/52/76/1066095276.db2.gz GABOIJFLSPKHNK-UHFFFAOYSA-N 0 0 482.466 4.739 20 30 JJEDRN N#Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)cc1Cl ZINC001360936348 1066096277 /nfs/dbraw/zinc/09/62/77/1066096277.db2.gz UWKQINYZKQYSQO-UHFFFAOYSA-N 0 0 455.699 4.874 20 30 JJEDRN O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC001442297519 1066112927 /nfs/dbraw/zinc/11/29/27/1066112927.db2.gz OSNIOZFMTIESDT-UHFFFAOYSA-N 0 0 458.005 4.682 20 30 JJEDRN Cc1nnsc1Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)C[C@H](C)C#N ZINC001360960318 1066119168 /nfs/dbraw/zinc/11/91/68/1066119168.db2.gz IRTHCAWJERJVBI-CYBMUJFWSA-N 0 0 453.572 4.617 20 30 JJEDRN Cc1nnsc1Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@H](C)CC#N ZINC001360960789 1066120076 /nfs/dbraw/zinc/12/00/76/1066120076.db2.gz ZWARSJOZPYRHKW-CYBMUJFWSA-N 0 0 453.572 4.759 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001360964748 1066124005 /nfs/dbraw/zinc/12/40/05/1066124005.db2.gz YTDCQGHTKXEMIY-ZBLYBZFDSA-N 0 0 455.558 4.678 20 30 JJEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001360964746 1066124024 /nfs/dbraw/zinc/12/40/24/1066124024.db2.gz YTDCQGHTKXEMIY-JIPXPUAJSA-N 0 0 455.558 4.678 20 30 JJEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC001442473566 1066129732 /nfs/dbraw/zinc/12/97/32/1066129732.db2.gz ODOHHUTTYPPDGW-UHFFFAOYSA-N 0 0 459.619 4.879 20 30 JJEDRN Cc1ccoc1Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1 ZINC001360976127 1066131758 /nfs/dbraw/zinc/13/17/58/1066131758.db2.gz CZOOPTFCWRJUOT-UHFFFAOYSA-N 0 0 470.371 4.699 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC001442529936 1066133771 /nfs/dbraw/zinc/13/37/71/1066133771.db2.gz OXFWLBPFRBKSLN-NRFANRHFSA-N 0 0 456.970 4.941 20 30 JJEDRN C=C(Br)CNC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001442592596 1066141692 /nfs/dbraw/zinc/14/16/92/1066141692.db2.gz LXGAACFGUMSXGU-CQSZACIVSA-N 0 0 452.176 4.926 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCn2ccnc2C1 ZINC001360987168 1066157391 /nfs/dbraw/zinc/15/73/91/1066157391.db2.gz UGRNLVUQIVVPOI-ZCNNSNEGSA-N 0 0 482.032 4.886 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cn[nH]c1 ZINC001360990495 1066167988 /nfs/dbraw/zinc/16/79/88/1066167988.db2.gz WKFQBBHKCKODDI-HOYKHHGWSA-N 0 0 468.005 4.784 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001360992331 1066171541 /nfs/dbraw/zinc/17/15/41/1066171541.db2.gz MYVOLAWEWFKGSB-AIYVTKCESA-N 0 0 488.032 4.621 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CC#N)CC2)c(C)o1 ZINC001360997267 1066175942 /nfs/dbraw/zinc/17/59/42/1066175942.db2.gz FAXPMAGEKBKHCT-XMMPIXPASA-N 0 0 471.964 4.985 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H](C)C#N)c(C)o1 ZINC001360998050 1066177042 /nfs/dbraw/zinc/17/70/42/1066177042.db2.gz SXOCZQYSWIPPEH-BSBLBABLSA-N 0 0 465.598 4.748 20 30 JJEDRN N#Cc1cc(NC(=O)c2ccnc(-n3cncn3)c2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001361006298 1066184687 /nfs/dbraw/zinc/18/46/87/1066184687.db2.gz MHWVPJOKWMPCST-UHFFFAOYSA-N 0 0 450.380 4.597 20 30 JJEDRN CCCCCn1nc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c2ccccc2c1=O ZINC001361017024 1066205070 /nfs/dbraw/zinc/20/50/70/1066205070.db2.gz YJFOXRXLQVFONO-UHFFFAOYSA-N 0 0 454.534 4.513 20 30 JJEDRN Cc1cc(C)cc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)c1 ZINC001361017143 1066205639 /nfs/dbraw/zinc/20/56/39/1066205639.db2.gz KNAIALBFOHFWHY-HFZDXXHNSA-N 0 0 482.604 4.652 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2coc(-c3cccs3)n2)c1 ZINC001361018209 1066208065 /nfs/dbraw/zinc/20/80/65/1066208065.db2.gz JQKDLERSZPZNKA-SFHVURJKSA-N 0 0 462.579 4.835 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N(CCC#N)CC3CC3)n2Cc2cccc(Br)n2)c1 ZINC001361024160 1066221451 /nfs/dbraw/zinc/22/14/51/1066221451.db2.gz ITLUOAHUCYQMPQ-UHFFFAOYSA-N 0 0 495.425 4.810 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)O1 ZINC001546056169 1066222832 /nfs/dbraw/zinc/22/28/32/1066222832.db2.gz BXCVJVAOVXQFGY-GBXCKJPGSA-N 0 0 451.596 4.774 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC001453946020 1066224054 /nfs/dbraw/zinc/22/40/54/1066224054.db2.gz NCLKIUIXWOMDFD-NEKDWFFYSA-N 0 0 459.590 4.877 20 30 JJEDRN Cc1ccc(-n2ccnc2SCC(=O)N[C@H](C#N)c2ccccc2Br)cc1C ZINC001453950435 1066224672 /nfs/dbraw/zinc/22/46/72/1066224672.db2.gz MQBZKEMAFQWMKE-LJQANCHMSA-N 0 0 455.381 4.725 20 30 JJEDRN CC(=O)Nc1cc(F)c(F)cc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001442814588 1066226134 /nfs/dbraw/zinc/22/61/34/1066226134.db2.gz AGYRTHJKTZIDNU-UHFFFAOYSA-N 0 0 456.289 4.978 20 30 JJEDRN CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC001453972897 1066227605 /nfs/dbraw/zinc/22/76/05/1066227605.db2.gz PAYZKAAQPUGBPK-FCHUYYIVSA-N 0 0 459.631 4.638 20 30 JJEDRN C=CCOCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001453982251 1066229331 /nfs/dbraw/zinc/22/93/31/1066229331.db2.gz LRLMHIMOVQQXCH-SANMLTNESA-N 0 0 456.542 4.585 20 30 JJEDRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OC(C)(C)C)CC2)O1 ZINC001546057108 1066231250 /nfs/dbraw/zinc/23/12/50/1066231250.db2.gz NWDRKUYVODMGSX-KCWPFWIISA-N 0 0 481.641 4.860 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCO[C@H]2CCCC[C@H]2C)c1 ZINC001361028274 1066232494 /nfs/dbraw/zinc/23/24/94/1066232494.db2.gz XRAIJCOOUQQUEW-KJWPAHLWSA-N 0 0 455.578 4.511 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C#N)CC2)s1 ZINC001361028876 1066235580 /nfs/dbraw/zinc/23/55/80/1066235580.db2.gz TVFQIRCIQHOTCD-SFHVURJKSA-N 0 0 450.612 4.783 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001442974443 1066248322 /nfs/dbraw/zinc/24/83/22/1066248322.db2.gz REAJALZKOBXMDU-HZPDHXFCSA-N 0 0 469.395 4.996 20 30 JJEDRN Cc1nc(SCC(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)c(C#N)c(C)c1C ZINC001454199924 1066254051 /nfs/dbraw/zinc/25/40/51/1066254051.db2.gz DHPZRJBRETWQQE-UHFFFAOYSA-N 0 0 457.024 4.988 20 30 JJEDRN N#Cc1ccccc1NC1CCN(C(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 ZINC001454241618 1066257107 /nfs/dbraw/zinc/25/71/07/1066257107.db2.gz MXJJBEOZTIHHNE-DEOSSOPVSA-N 0 0 457.496 4.629 20 30 JJEDRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 ZINC001454246185 1066257716 /nfs/dbraw/zinc/25/77/16/1066257716.db2.gz LVSIZJMYVFBQSV-HNNXBMFYSA-N 0 0 452.967 4.811 20 30 JJEDRN COc1cccc([C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2nccn2C)c1 ZINC001454244049 1066257785 /nfs/dbraw/zinc/25/77/85/1066257785.db2.gz ITDVSCHHBYAOFZ-VWLOTQADSA-N 0 0 452.514 4.806 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC001443092075 1066265469 /nfs/dbraw/zinc/26/54/69/1066265469.db2.gz RRRBOHCXKPZNCP-HXUWFJFHSA-N 0 0 454.958 4.882 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CC(F)(F)CO2)c(C)n1-c1ccccc1 ZINC001361044815 1066268535 /nfs/dbraw/zinc/26/85/35/1066268535.db2.gz FTVSKHDTECKCET-OXQOHEQNSA-N 0 0 454.525 4.515 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC(F)(F)CO2)c(C)n1-c1ccccc1 ZINC001361044816 1066268624 /nfs/dbraw/zinc/26/86/24/1066268624.db2.gz FTVSKHDTECKCET-UZLBHIALSA-N 0 0 454.525 4.515 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCCN(Cc3cscn3)CC2)cc1Cl ZINC001443118087 1066270133 /nfs/dbraw/zinc/27/01/33/1066270133.db2.gz XNRJSTKBZXPFTR-UHFFFAOYSA-N 0 0 452.967 4.809 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2cccs2)c(C)n1-c1ccccc1 ZINC001361045466 1066270287 /nfs/dbraw/zinc/27/02/87/1066270287.db2.gz YDQIXKMNMMSWIY-SFHVURJKSA-N 0 0 487.633 4.583 20 30 JJEDRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC001443164180 1066275702 /nfs/dbraw/zinc/27/57/02/1066275702.db2.gz OLFGUWKZQCMKCQ-UHFFFAOYSA-N 0 0 453.498 4.976 20 30 JJEDRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 ZINC001443236529 1066283089 /nfs/dbraw/zinc/28/30/89/1066283089.db2.gz ILTCCUKVYPPBIL-UHFFFAOYSA-N 0 0 456.930 4.592 20 30 JJEDRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC#N)Oc1cccc(F)c1 ZINC001545956964 1066295071 /nfs/dbraw/zinc/29/50/71/1066295071.db2.gz MFVFVNUGXQXTFY-WMLDXEAASA-N 0 0 475.366 4.771 20 30 JJEDRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC001443351332 1066298608 /nfs/dbraw/zinc/29/86/08/1066298608.db2.gz AARKKRRCIMZJIM-GYCJOSAFSA-N 0 0 459.933 4.948 20 30 JJEDRN CCCC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1ccc(OC)cc1 ZINC001443404262 1066306073 /nfs/dbraw/zinc/30/60/73/1066306073.db2.gz BXZJKYIRPYPTQU-LPILLZMDSA-N 0 0 455.599 4.830 20 30 JJEDRN C#Cc1cccc(N(C)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 ZINC001443411540 1066307728 /nfs/dbraw/zinc/30/77/28/1066307728.db2.gz REEAKWVVBQUTPC-QHCPKHFHSA-N 0 0 457.368 4.833 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)c2c(C)noc2C)c1 ZINC001361069039 1066309068 /nfs/dbraw/zinc/30/90/68/1066309068.db2.gz OWUTYCFELZXGHB-UHFFFAOYSA-N 0 0 459.955 4.603 20 30 JJEDRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)(C#N)CC2)ccc1F ZINC001361070834 1066310471 /nfs/dbraw/zinc/31/04/71/1066310471.db2.gz WFQDQPKVHKOXOE-UHFFFAOYSA-N 0 0 471.378 4.672 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC001454629981 1066311615 /nfs/dbraw/zinc/31/16/15/1066311615.db2.gz ASAVVFOYMSEPAT-UHFFFAOYSA-N 0 0 454.452 4.910 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC001443453909 1066313720 /nfs/dbraw/zinc/31/37/20/1066313720.db2.gz BASYAGHOUWLMSY-FQEVSTJZSA-N 0 0 454.958 4.678 20 30 JJEDRN Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cs1 ZINC001361073263 1066314154 /nfs/dbraw/zinc/31/41/54/1066314154.db2.gz FPFMZXJWVGUSME-LJQANCHMSA-N 0 0 478.622 4.586 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC001454663797 1066317905 /nfs/dbraw/zinc/31/79/05/1066317905.db2.gz YYXPOVOMTIBKOU-IBGZPJMESA-N 0 0 453.539 4.640 20 30 JJEDRN Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)cs1 ZINC001361081450 1066320797 /nfs/dbraw/zinc/32/07/97/1066320797.db2.gz OUIUOUMZJCNLJG-UHFFFAOYSA-N 0 0 473.606 4.697 20 30 JJEDRN N#C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)c1cccc(C(F)(F)F)c1 ZINC001443534422 1066325499 /nfs/dbraw/zinc/32/54/99/1066325499.db2.gz PFBHPZYVYVININ-LLVKDONJSA-N 0 0 451.040 4.553 20 30 JJEDRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC001545959650 1066326261 /nfs/dbraw/zinc/32/62/61/1066326261.db2.gz ZSKTXMVLIYNDIT-LJQANCHMSA-N 0 0 458.994 4.642 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2C1 ZINC001443537243 1066326550 /nfs/dbraw/zinc/32/65/50/1066326550.db2.gz YGUNVTWRAQNKQC-HXUWFJFHSA-N 0 0 459.468 4.993 20 30 JJEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1C ZINC001454734796 1066328823 /nfs/dbraw/zinc/32/88/23/1066328823.db2.gz AULZIWHAEWOFCT-VWNXMTODSA-N 0 0 450.489 4.619 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCO1 ZINC001361088327 1066330617 /nfs/dbraw/zinc/33/06/17/1066330617.db2.gz IFTQMKBGAKXHGS-FQEVSTJZSA-N 0 0 458.006 4.561 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001361088884 1066333072 /nfs/dbraw/zinc/33/30/72/1066333072.db2.gz MRWHXLDQTLILFX-SANMLTNESA-N 0 0 486.060 4.933 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1OCCC1(C)C ZINC001361088875 1066333302 /nfs/dbraw/zinc/33/33/02/1066333302.db2.gz MRRPWJVVDVVEBW-HYBUGGRVSA-N 0 0 475.996 4.509 20 30 JJEDRN CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001443605211 1066336677 /nfs/dbraw/zinc/33/66/77/1066336677.db2.gz PKNKDWLERGDUJU-GOTSBHOMSA-N 0 0 450.583 4.915 20 30 JJEDRN C=CCOc1ccccc1CN(C(=O)[C@@H](O)CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC001443637350 1066342268 /nfs/dbraw/zinc/34/22/68/1066342268.db2.gz VHALWXVROYWRPJ-DEOSSOPVSA-N 0 0 459.542 4.550 20 30 JJEDRN N#Cc1cc(C(=O)Nc2ccc3ccn(Cc4ccc(CO)cc4)c3c2)cnc1C(F)(F)F ZINC001454938094 1066344050 /nfs/dbraw/zinc/34/40/50/1066344050.db2.gz BRCKIHPKGRTMTJ-UHFFFAOYSA-N 0 0 450.420 4.720 20 30 JJEDRN Cc1cc(F)ccc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC#N ZINC001361094811 1066345616 /nfs/dbraw/zinc/34/56/16/1066345616.db2.gz LEOCQBLAWTZKSD-IBGZPJMESA-N 0 0 484.620 4.821 20 30 JJEDRN CCc1ccc(C(C)(C)C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC001443668919 1066346647 /nfs/dbraw/zinc/34/66/47/1066346647.db2.gz OUEDCYAATRYIPF-QFIPXVFZSA-N 0 0 454.412 4.698 20 30 JJEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCc3c2cccc3Cl)CC1 ZINC001443669440 1066346795 /nfs/dbraw/zinc/34/67/95/1066346795.db2.gz QBLQKSSRVBQKMF-CTNGQTDRSA-N 0 0 458.787 4.541 20 30 JJEDRN N#Cc1ccc(Oc2cccc(NC(=O)c3cc(I)ccc3O)c2)cc1 ZINC001443686034 1066350544 /nfs/dbraw/zinc/35/05/44/1066350544.db2.gz HFYVXSQUTPLSSX-UHFFFAOYSA-N 0 0 456.239 4.913 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC001545961265 1066354394 /nfs/dbraw/zinc/35/43/94/1066354394.db2.gz ROBOGHIJIOCYMT-UONOGXRCSA-N 0 0 497.463 4.811 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N2CCC(c3ccc(Cl)cn3)CC2)nnc1-c1ccco1 ZINC001455066336 1066356882 /nfs/dbraw/zinc/35/68/82/1066356882.db2.gz DVIFSZBIOCPOTP-UHFFFAOYSA-N 0 0 457.987 4.661 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)CSCc1ccc(C#N)cc1)C2 ZINC001455112194 1066363004 /nfs/dbraw/zinc/36/30/04/1066363004.db2.gz KWGWHARHINMFFC-UHFFFAOYSA-N 0 0 453.564 4.560 20 30 JJEDRN CCOc1ccccc1[C@@H](CC(=O)Nc1ccccc1O[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001546069217 1066365367 /nfs/dbraw/zinc/36/53/67/1066365367.db2.gz HCXVMYYBRWZXPK-FXAWDEMLSA-N 0 0 453.539 4.971 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC001443775901 1066366579 /nfs/dbraw/zinc/36/65/79/1066366579.db2.gz XNJOPIGJFDBGQR-IBGZPJMESA-N 0 0 452.617 4.588 20 30 JJEDRN Cc1ccn2cc(Cn3c(-c4cccc([N+](=O)[O-])c4)nnc3N(CCC#N)CCC(C)C)nc2c1 ZINC001361115972 1066367344 /nfs/dbraw/zinc/36/73/44/1066367344.db2.gz WDDHOZMFYNWGMQ-UHFFFAOYSA-N 0 0 472.553 4.624 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545962732 1066375531 /nfs/dbraw/zinc/37/55/31/1066375531.db2.gz IVTCVLJWJFMFHF-WIYYLYMNSA-N 0 0 452.603 4.746 20 30 JJEDRN N#Cc1cccc(COc2ccc(NC(=O)Cn3nc(C(F)F)cc3C(F)F)cc2F)c1 ZINC001361124770 1066378315 /nfs/dbraw/zinc/37/83/15/1066378315.db2.gz JFWMNFRTPFPDTL-UHFFFAOYSA-N 0 0 450.367 4.987 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@](C)(O)C(C)C)c1 ZINC001361125683 1066379275 /nfs/dbraw/zinc/37/92/75/1066379275.db2.gz ACIRLVPUSVGEQL-AREMUKBSSA-N 0 0 453.631 4.826 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001361125966 1066381342 /nfs/dbraw/zinc/38/13/42/1066381342.db2.gz IDRQIEOTQREVFG-KDYSTLNUSA-N 0 0 465.642 4.970 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001361126329 1066383453 /nfs/dbraw/zinc/38/34/53/1066383453.db2.gz QBLVNIRJNHOCKZ-RBBKRZOGSA-N 0 0 451.615 4.702 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001361126516 1066384721 /nfs/dbraw/zinc/38/47/21/1066384721.db2.gz TVGMNZPPIXWJON-UHFFFAOYSA-N 0 0 490.656 4.814 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361127521 1066388597 /nfs/dbraw/zinc/38/85/97/1066388597.db2.gz KUNJUMAPDXMOJR-UIOOFZCWSA-N 0 0 469.605 4.672 20 30 JJEDRN Cc1nnc(CCCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@](F)(C#N)C2)s1 ZINC001361127932 1066390593 /nfs/dbraw/zinc/39/05/93/1066390593.db2.gz QJHBVAKMTYIAIH-DEOSSOPVSA-N 0 0 483.617 4.524 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(O)c(Cl)c2)c1 ZINC001455442137 1066390881 /nfs/dbraw/zinc/39/08/81/1066390881.db2.gz UHSZBPDYVRHGMZ-UHFFFAOYSA-N 0 0 451.935 4.578 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2CCCCO2)c1 ZINC001361128340 1066392193 /nfs/dbraw/zinc/39/21/93/1066392193.db2.gz WSHNEYPXLAJNOJ-NBGIEHNGSA-N 0 0 455.578 4.690 20 30 JJEDRN CON=Cc1ccc(C(=O)N2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)cc1 ZINC001455508538 1066400342 /nfs/dbraw/zinc/40/03/42/1066400342.db2.gz FOIRCFJMGUAXGA-OFNKIYASSA-N 0 0 457.615 4.993 20 30 JJEDRN N#Cc1c(F)cc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1F ZINC001444084379 1066402297 /nfs/dbraw/zinc/40/22/97/1066402297.db2.gz SXFILLWBGGAHHS-UHFFFAOYSA-N 0 0 450.420 4.818 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C[C@]2(C)C1 ZINC001455517532 1066403339 /nfs/dbraw/zinc/40/33/39/1066403339.db2.gz QMSJMZFRAUVYGT-KDYSTLNUSA-N 0 0 461.562 4.874 20 30 JJEDRN CCN(CC(=O)NCc1ccc(C)c(C#N)c1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001455558826 1066410348 /nfs/dbraw/zinc/41/03/48/1066410348.db2.gz AYBPZGVAQJYOMB-UHFFFAOYSA-N 0 0 453.542 4.754 20 30 JJEDRN Cc1ccc(CNC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)cc1C#N ZINC001455561496 1066410777 /nfs/dbraw/zinc/41/07/77/1066410777.db2.gz LQYICTXCDDJFJZ-UHFFFAOYSA-N 0 0 454.349 4.873 20 30 JJEDRN C[C@@](C#N)(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CCCCC1 ZINC001444225539 1066431783 /nfs/dbraw/zinc/43/17/83/1066431783.db2.gz CCLZKTINDWISKZ-QFIPXVFZSA-N 0 0 458.356 4.816 20 30 JJEDRN C#CCN(C(=O)c1ccc(NCc2ccsc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455809659 1066435187 /nfs/dbraw/zinc/43/51/87/1066435187.db2.gz FGUKUEYVLWBSHK-UHFFFAOYSA-N 0 0 453.608 4.835 20 30 JJEDRN C#CCN(C(=O)CCC(=O)c1ccc(CCCC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455811914 1066435806 /nfs/dbraw/zinc/43/58/06/1066435806.db2.gz BVFGSHZMFLXLQE-UHFFFAOYSA-N 0 0 454.611 4.853 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)CSC ZINC001444316327 1066446770 /nfs/dbraw/zinc/44/67/70/1066446770.db2.gz BNIVIXZLUNGFKD-OPAMFIHVSA-N 0 0 459.011 4.904 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCC[C@H]2CCCCO2)c1 ZINC001361152993 1066447875 /nfs/dbraw/zinc/44/78/75/1066447875.db2.gz TYCOXOXTSKFLIG-HSZRJFAPSA-N 0 0 451.615 4.953 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@](C)(O)c2ccsc2)c1 ZINC001361153308 1066449096 /nfs/dbraw/zinc/44/90/96/1066449096.db2.gz XEYSHVUCSOMCHJ-VWLOTQADSA-N 0 0 465.623 4.573 20 30 JJEDRN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[C@H]1c1cccc(C)c1 ZINC001455933984 1066454162 /nfs/dbraw/zinc/45/41/62/1066454162.db2.gz PYJYSCHYLPKZHR-XNMGPUDCSA-N 0 0 453.542 4.994 20 30 JJEDRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[C@H]1c1cccc(C)c1 ZINC001455933967 1066454334 /nfs/dbraw/zinc/45/43/34/1066454334.db2.gz PYJYSCHYLPKZHR-AHKZPQOWSA-N 0 0 453.542 4.994 20 30 JJEDRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC001444386089 1066456793 /nfs/dbraw/zinc/45/67/93/1066456793.db2.gz HMDQZWTZCYCMTI-KZULUSFZSA-N 0 0 456.365 4.664 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)c1 ZINC001455948567 1066458080 /nfs/dbraw/zinc/45/80/80/1066458080.db2.gz KUDPPHVOEJISHP-UHFFFAOYSA-N 0 0 451.526 4.933 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)c1 ZINC001455950469 1066458145 /nfs/dbraw/zinc/45/81/45/1066458145.db2.gz RPDUFQAHDZUHRT-NDEPHWFRSA-N 0 0 456.517 4.952 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccnc1Oc1cccc(OC)c1 ZINC001444549414 1066474355 /nfs/dbraw/zinc/47/43/55/1066474355.db2.gz JYYMQNVWDVJEIE-UHFFFAOYSA-N 0 0 456.502 4.563 20 30 JJEDRN Cc1ccc(C(=O)/C=C\C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)cc1 ZINC001456026462 1066480529 /nfs/dbraw/zinc/48/05/29/1066480529.db2.gz RXHGUHHPMDEALZ-YUIUBULTSA-N 0 0 452.526 4.603 20 30 JJEDRN Cc1ccc(C(=O)/C=C\C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)cc1 ZINC001456026460 1066480703 /nfs/dbraw/zinc/48/07/03/1066480703.db2.gz RXHGUHHPMDEALZ-JYBLJSLWSA-N 0 0 452.526 4.603 20 30 JJEDRN Cc1ccc(-c2nc(Cn3c(-c4cc(Br)cn4C)nnc3N(C)C[C@@H](C)C#N)co2)cc1 ZINC001361167974 1066481472 /nfs/dbraw/zinc/48/14/72/1066481472.db2.gz XQWGYCJGRRRVAV-INIZCTEOSA-N 0 0 494.397 4.654 20 30 JJEDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)cc1C ZINC001444610735 1066482252 /nfs/dbraw/zinc/48/22/52/1066482252.db2.gz SCHYRQIIRURREE-UHFFFAOYSA-N 0 0 456.531 4.674 20 30 JJEDRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CCCC2)c1 ZINC001361170017 1066485224 /nfs/dbraw/zinc/48/52/24/1066485224.db2.gz BSAQVLDDSRAVPQ-UHFFFAOYSA-N 0 0 450.482 4.919 20 30 JJEDRN N#Cc1ccccc1Sc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC001444666268 1066490275 /nfs/dbraw/zinc/49/02/75/1066490275.db2.gz SFQKCBXWUXEVHX-UHFFFAOYSA-N 0 0 457.599 4.848 20 30 JJEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1Cl)c1ccccc1OC ZINC001444667790 1066490902 /nfs/dbraw/zinc/49/09/02/1066490902.db2.gz LRSXMJSHDFUYJU-UNMCSNQZSA-N 0 0 456.970 4.861 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@](C)(O)CCC(C)C)cc1Br ZINC001361175219 1066492786 /nfs/dbraw/zinc/49/27/86/1066492786.db2.gz GWQRZFXEMMXTFR-AOMKIAJQSA-N 0 0 462.436 4.799 20 30 JJEDRN N#Cc1ccc(N2CCC(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CC2)nc1 ZINC001361175743 1066493911 /nfs/dbraw/zinc/49/39/11/1066493911.db2.gz ALOOGTRIRXWCLM-UHFFFAOYSA-N 0 0 457.921 4.669 20 30 JJEDRN COC(=O)c1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(OC(F)F)c1 ZINC001456051769 1066493962 /nfs/dbraw/zinc/49/39/62/1066493962.db2.gz AWDKRQSPLYNDND-UHFFFAOYSA-N 0 0 452.413 4.778 20 30 JJEDRN CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2C1)NC(=O)OC(C)(C)C ZINC001545968573 1066494647 /nfs/dbraw/zinc/49/46/47/1066494647.db2.gz HQHZUMRFJPBKJB-HXUWFJFHSA-N 0 0 478.622 4.744 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)(F)F)o1 ZINC001361178144 1066498141 /nfs/dbraw/zinc/49/81/41/1066498141.db2.gz GOOOKIKFCINVOE-UHFFFAOYSA-N 0 0 482.466 4.739 20 30 JJEDRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001456060368 1066498480 /nfs/dbraw/zinc/49/84/80/1066498480.db2.gz IJRIJRNPLKAKMU-OAHLLOKOSA-N 0 0 456.333 4.940 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361178933 1066499478 /nfs/dbraw/zinc/49/94/78/1066499478.db2.gz USAGYNNGJGBXCP-GOSISDBHSA-N 0 0 478.597 4.858 20 30 JJEDRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001546079153 1066501685 /nfs/dbraw/zinc/50/16/85/1066501685.db2.gz GRGXPTXMFLVGKG-DCFHFQCYSA-N 0 0 496.656 4.858 20 30 JJEDRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001546079152 1066501784 /nfs/dbraw/zinc/50/17/84/1066501784.db2.gz GRGXPTXMFLVGKG-CCLHPLFOSA-N 0 0 496.656 4.858 20 30 JJEDRN C[C@H]1CC(C)(C)c2cccc(NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)c21 ZINC001456072131 1066502723 /nfs/dbraw/zinc/50/27/23/1066502723.db2.gz ZDKZDIOFVWVYGY-KRWDZBQOSA-N 0 0 453.608 4.709 20 30 JJEDRN C=CCC[C@H](C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1ccccc1 ZINC001456080725 1066505943 /nfs/dbraw/zinc/50/59/43/1066505943.db2.gz DKLWBAQLMHFOHW-QFIPXVFZSA-N 0 0 450.583 4.827 20 30 JJEDRN COc1cc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c([N+](=O)[O-])cc1OC ZINC001456096003 1066508775 /nfs/dbraw/zinc/50/87/75/1066508775.db2.gz AZAZWLMNJPNJSX-UHFFFAOYSA-N 0 0 451.866 4.984 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1 ZINC001456097346 1066508789 /nfs/dbraw/zinc/50/87/89/1066508789.db2.gz JORCZULJNORLMR-SFHVURJKSA-N 0 0 451.420 4.598 20 30 JJEDRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccc(C#N)cc1OC)CCO2 ZINC001444854331 1066513489 /nfs/dbraw/zinc/51/34/89/1066513489.db2.gz KNQRUZNMTSGFBD-HSZRJFAPSA-N 0 0 458.514 4.507 20 30 JJEDRN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1 ZINC001445044283 1066533189 /nfs/dbraw/zinc/53/31/89/1066533189.db2.gz DSBCOUTXWRODKT-LIRRHRJNSA-N 0 0 455.363 4.714 20 30 JJEDRN CC[C@@H](C)[C@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456199186 1066535776 /nfs/dbraw/zinc/53/57/76/1066535776.db2.gz CHOKHEJCCRXLEM-NGOKVRLYSA-N 0 0 459.634 4.730 20 30 JJEDRN N#C[C@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC001445095324 1066539006 /nfs/dbraw/zinc/53/90/06/1066539006.db2.gz XLVIIOURXPUHII-INIZCTEOSA-N 0 0 456.193 4.963 20 30 JJEDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)s1 ZINC001445094955 1066539024 /nfs/dbraw/zinc/53/90/24/1066539024.db2.gz VIOQPIKDKGAIOS-QGZVFWFLSA-N 0 0 452.454 4.648 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCC[C@@H]2C)cc1Br ZINC001361211790 1066545536 /nfs/dbraw/zinc/54/55/36/1066545536.db2.gz AKFLJCLEMCVWAO-IMRHEYAYSA-N 0 0 472.431 4.697 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCn2cc(Cl)cn2)cc1Br ZINC001361212463 1066546897 /nfs/dbraw/zinc/54/68/97/1066546897.db2.gz MKPYITFSCXFQKM-NRFANRHFSA-N 0 0 488.821 4.696 20 30 JJEDRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC001456277602 1066553820 /nfs/dbraw/zinc/55/38/20/1066553820.db2.gz UXYUKADLMNHBQW-QGZVFWFLSA-N 0 0 455.345 4.807 20 30 JJEDRN C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)C(=O)CNC(=O)c2ccc(C#N)cc2)[C@H]1C ZINC001445294492 1066555430 /nfs/dbraw/zinc/55/54/30/1066555430.db2.gz QULDCGPXVONFLD-SAHWJRBASA-N 0 0 455.961 4.934 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)ccc1OC ZINC001456287616 1066555816 /nfs/dbraw/zinc/55/58/16/1066555816.db2.gz CARSIGQDMTZJLX-SFHVURJKSA-N 0 0 451.910 4.727 20 30 JJEDRN CCCCCCCC[C@@H](C)CC(=O)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001456289702 1066556340 /nfs/dbraw/zinc/55/63/40/1066556340.db2.gz IYHCIMXDVWUSEL-UXHICEINSA-N 0 0 452.636 4.632 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)Cc2ccc(Cl)cc2Br)ccc1OC ZINC001456300744 1066558586 /nfs/dbraw/zinc/55/85/86/1066558586.db2.gz GDJQJFVPHVEUAU-INIZCTEOSA-N 0 0 451.748 4.651 20 30 JJEDRN N#Cc1ccc(Oc2ccc(OC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)cc2)cc1 ZINC001361222035 1066560577 /nfs/dbraw/zinc/56/05/77/1066560577.db2.gz QSJDCFNVBBCSBC-GOSISDBHSA-N 0 0 457.873 4.834 20 30 JJEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001456338392 1066565409 /nfs/dbraw/zinc/56/54/09/1066565409.db2.gz ZSUZIRZDLYUXIS-KRWDZBQOSA-N 0 0 459.384 4.542 20 30 JJEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C(C)(C)C1 ZINC001456343082 1066566291 /nfs/dbraw/zinc/56/62/91/1066566291.db2.gz YDESFWVXNYACNX-UHFFFAOYSA-N 0 0 453.514 4.961 20 30 JJEDRN Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)(F)C(F)F)o1 ZINC001361236159 1066576679 /nfs/dbraw/zinc/57/66/79/1066576679.db2.gz FWGVSZFKPUJFKV-GOSISDBHSA-N 0 0 477.462 4.977 20 30 JJEDRN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cc(F)cc(C(F)(F)F)c1 ZINC001445703937 1066606996 /nfs/dbraw/zinc/60/69/96/1066606996.db2.gz AOPBQZVTVLYFHL-ZDUSSCGKSA-N 0 0 455.761 4.920 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2(C)C)o1 ZINC001361260925 1066610466 /nfs/dbraw/zinc/61/04/66/1066610466.db2.gz AMKWHNKRTMVEPI-LJQANCHMSA-N 0 0 451.596 4.798 20 30 JJEDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001456550229 1066623014 /nfs/dbraw/zinc/62/30/14/1066623014.db2.gz ZPJWXUNGOWOYLV-UHFFFAOYSA-N 0 0 455.858 4.531 20 30 JJEDRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H](C)C#N)c(OCC(F)(F)F)c1 ZINC001361272253 1066626306 /nfs/dbraw/zinc/62/63/06/1066626306.db2.gz LKNGLSCNNHJODW-HNNXBMFYSA-N 0 0 478.906 4.887 20 30 JJEDRN COc1cc(C=C(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c2ccccc2)ccc1O ZINC001445859587 1066627031 /nfs/dbraw/zinc/62/70/31/1066627031.db2.gz CZPUQCUKLXGQHC-XKZIYDEJSA-N 0 0 450.498 4.520 20 30 JJEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC001456573203 1066629089 /nfs/dbraw/zinc/62/90/89/1066629089.db2.gz ZRNPMWVPJISZIE-XMMPIXPASA-N 0 0 450.535 4.617 20 30 JJEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC001456573100 1066629189 /nfs/dbraw/zinc/62/91/89/1066629189.db2.gz ZRNPMWVPJISZIE-DEOSSOPVSA-N 0 0 450.535 4.617 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001456574305 1066629484 /nfs/dbraw/zinc/62/94/84/1066629484.db2.gz NDTPSKNNHSHUHB-QZTJIDSGSA-N 0 0 452.979 4.530 20 30 JJEDRN Cc1nc(CCC(=O)N(CCC#N)Cc2cccnc2)oc1-c1ccc(Br)cc1 ZINC001456579859 1066630422 /nfs/dbraw/zinc/63/04/22/1066630422.db2.gz LUUSFVBVNHSVFC-UHFFFAOYSA-N 0 0 453.340 4.683 20 30 JJEDRN N#Cc1cc(NC(=O)[C@H]2CC(c3ccccn3)=NO2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001361276143 1066633611 /nfs/dbraw/zinc/63/36/11/1066633611.db2.gz VRUBKCIZCQLEKU-OAQYLSRUSA-N 0 0 452.392 4.896 20 30 JJEDRN C#Cc1ccc(NC(=O)c2ccccc2Sc2ccc(S(=O)(=O)NC)cc2)c(Cl)c1 ZINC001456613065 1066643727 /nfs/dbraw/zinc/64/37/27/1066643727.db2.gz LVAGMMUDNYTGPA-UHFFFAOYSA-N 0 0 456.976 4.633 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001456612465 1066643739 /nfs/dbraw/zinc/64/37/39/1066643739.db2.gz AHZLQZUMFFMFDZ-QFIPXVFZSA-N 0 0 455.377 4.968 20 30 JJEDRN C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2Br)ccc1Cl ZINC001446044356 1066651233 /nfs/dbraw/zinc/65/12/33/1066651233.db2.gz CWIRAMXFYOPOGJ-GFCCVEGCSA-N 0 0 457.777 4.516 20 30 JJEDRN CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(F)cc1OCC#N)NC(=O)OC(C)(C)C ZINC001446049258 1066652034 /nfs/dbraw/zinc/65/20/34/1066652034.db2.gz RGSSZCVRUOKUKS-LJQANCHMSA-N 0 0 457.502 4.721 20 30 JJEDRN CN(CCOCc1ccccc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC001446087595 1066658218 /nfs/dbraw/zinc/65/82/18/1066658218.db2.gz RPJBESFULQAJLI-UHFFFAOYSA-N 0 0 459.571 4.578 20 30 JJEDRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)c1 ZINC001446089500 1066658288 /nfs/dbraw/zinc/65/82/88/1066658288.db2.gz YDPAAFKLFYDXEH-HXUWFJFHSA-N 0 0 457.530 4.624 20 30 JJEDRN COc1ccc2c(C)c(CCC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c(=O)oc2c1 ZINC001456656038 1066660057 /nfs/dbraw/zinc/66/00/57/1066660057.db2.gz AKEHVODWSWBQMT-UHFFFAOYSA-N 0 0 458.539 4.959 20 30 JJEDRN N#Cc1ccc(-c2cccc(CNC(=O)Cc3ccc(I)cc3)c2)s1 ZINC001456662373 1066662450 /nfs/dbraw/zinc/66/24/50/1066662450.db2.gz SWXKMYDEWPYXJU-UHFFFAOYSA-N 0 0 458.324 4.750 20 30 JJEDRN Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001492606513 1066664434 /nfs/dbraw/zinc/66/44/34/1066664434.db2.gz JHKBNTBMQBDCDH-UHFFFAOYSA-N 0 0 499.522 4.592 20 30 JJEDRN COc1ccc([C@@H]2[C@H](C(=O)NCc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001456684993 1066665910 /nfs/dbraw/zinc/66/59/10/1066665910.db2.gz JEVDGZMEWYKYBY-XNMGPUDCSA-N 0 0 453.542 4.676 20 30 JJEDRN CC[C@H](Cn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)NC(=O)OC(C)(C)C ZINC001545984033 1066688320 /nfs/dbraw/zinc/68/83/20/1066688320.db2.gz BMZPERSYNFLDSG-OAQYLSRUSA-N 0 0 494.640 4.768 20 30 JJEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C ZINC001456779127 1066688512 /nfs/dbraw/zinc/68/85/12/1066688512.db2.gz DFXDPXDQTXXEJK-HXUWFJFHSA-N 0 0 451.571 4.727 20 30 JJEDRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1=O ZINC001456787760 1066690858 /nfs/dbraw/zinc/69/08/58/1066690858.db2.gz PBKDOIVZSQOANV-UWJYYQICSA-N 0 0 455.562 4.866 20 30 JJEDRN Cc1cn2c(n1)[C@H](Cn1c(Cc3ccc(F)cc3)nnc1N(CCC#N)CCC(C)C)CCC2 ZINC001492628316 1066699242 /nfs/dbraw/zinc/69/92/42/1066699242.db2.gz CXVNEAHBKYQXAR-QFIPXVFZSA-N 0 0 463.605 4.857 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H](C)C#N)s1 ZINC001492630068 1066703505 /nfs/dbraw/zinc/70/35/05/1066703505.db2.gz NKSXJHIBIPVVPA-VXGBXAGGSA-N 0 0 465.446 4.934 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H](C)C#N)s1 ZINC001492630065 1066703539 /nfs/dbraw/zinc/70/35/39/1066703539.db2.gz NKSXJHIBIPVVPA-NEPJUHHUSA-N 0 0 465.446 4.934 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC001492631685 1066708363 /nfs/dbraw/zinc/70/83/63/1066708363.db2.gz PSYTZHNUFIYZRA-KRWDZBQOSA-N 0 0 481.645 4.773 20 30 JJEDRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)NC(=O)OC(C)(C)C ZINC001545986503 1066708468 /nfs/dbraw/zinc/70/84/68/1066708468.db2.gz GOBOTBMWVWPMDA-JTHBVZDNSA-N 0 0 494.640 4.864 20 30 JJEDRN C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)Oc1ccc(Br)cc1 ZINC001456876088 1066712107 /nfs/dbraw/zinc/71/21/07/1066712107.db2.gz ILMOZYIPNGXYKW-OAHLLOKOSA-N 0 0 455.308 4.690 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1C#N ZINC001446520428 1066714665 /nfs/dbraw/zinc/71/46/65/1066714665.db2.gz MVGKBDLTCUWUSW-UHFFFAOYSA-N 0 0 457.918 4.952 20 30 JJEDRN Cc1coc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492634823 1066717747 /nfs/dbraw/zinc/71/77/47/1066717747.db2.gz YNJQTOZYJRTIBF-GOSISDBHSA-N 0 0 476.581 4.521 20 30 JJEDRN N#Cc1ccc(F)c(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 ZINC001456929030 1066724487 /nfs/dbraw/zinc/72/44/87/1066724487.db2.gz ZNZWEQARYUJIIH-UHFFFAOYSA-N 0 0 456.321 4.851 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@@H](C)C#N)n1 ZINC001492638045 1066725541 /nfs/dbraw/zinc/72/55/41/1066725541.db2.gz CIURKKVSZSQJJK-LSDHHAIUSA-N 0 0 489.443 4.784 20 30 JJEDRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)c1C ZINC001446759370 1066736997 /nfs/dbraw/zinc/73/69/97/1066736997.db2.gz SRKLZSNPQUMWKH-UHFFFAOYSA-N 0 0 459.571 4.781 20 30 JJEDRN Cc1csc(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCCCC2)n1 ZINC001492643551 1066739736 /nfs/dbraw/zinc/73/97/36/1066739736.db2.gz MCZFQYWLWGRXPY-UHFFFAOYSA-N 0 0 450.612 4.897 20 30 JJEDRN Cc1csc(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)n1 ZINC001492644680 1066743391 /nfs/dbraw/zinc/74/33/91/1066743391.db2.gz WOIKXFWMOYZOFS-NRFANRHFSA-N 0 0 488.459 4.954 20 30 JJEDRN Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001492646042 1066748559 /nfs/dbraw/zinc/74/85/59/1066748559.db2.gz SVFDQYWGZVVKBQ-UHFFFAOYSA-N 0 0 466.611 4.690 20 30 JJEDRN Cc1csc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)c1 ZINC001492647891 1066752829 /nfs/dbraw/zinc/75/28/29/1066752829.db2.gz AAAIMDLRDVLWPH-UHFFFAOYSA-N 0 0 481.532 4.511 20 30 JJEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCc1cc(Cl)ccc1OC1CCCC1 ZINC001457086589 1066758748 /nfs/dbraw/zinc/75/87/48/1066758748.db2.gz HLELEXFHFKMXBL-UHFFFAOYSA-N 0 0 452.942 4.869 20 30 JJEDRN Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492656793 1066769387 /nfs/dbraw/zinc/76/93/87/1066769387.db2.gz HJZFTNJGXMFOSJ-NRFANRHFSA-N 0 0 450.612 4.670 20 30 JJEDRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C[C@H](C)C#N)s1 ZINC001492659732 1066776930 /nfs/dbraw/zinc/77/69/30/1066776930.db2.gz ALKZSYMMZHOETL-GFCCVEGCSA-N 0 0 465.410 4.881 20 30 JJEDRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)s1 ZINC001492659733 1066776957 /nfs/dbraw/zinc/77/69/57/1066776957.db2.gz ALKZSYMMZHOETL-LBPRGKRZSA-N 0 0 465.410 4.881 20 30 JJEDRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)s1 ZINC001492660917 1066779054 /nfs/dbraw/zinc/77/90/54/1066779054.db2.gz YYMMPNWJKKKZBZ-JOCHJYFZSA-N 0 0 457.003 4.762 20 30 JJEDRN CC1CCN(c2ccc(NC(=O)CCC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)CC1 ZINC001447172654 1066780392 /nfs/dbraw/zinc/78/03/92/1066780392.db2.gz HSSINJJNZIMBHM-UHFFFAOYSA-N 0 0 456.590 4.829 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(COC(C)(C)C)c2)cs1 ZINC001492664011 1066784130 /nfs/dbraw/zinc/78/41/30/1066784130.db2.gz BIYGVWOHIUISGF-QGZVFWFLSA-N 0 0 452.628 4.593 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC001457202039 1066787833 /nfs/dbraw/zinc/78/78/33/1066787833.db2.gz QPJRAEAJUVDMEZ-NRFANRHFSA-N 0 0 457.505 4.914 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCC2(CC)CC2)ccc1Cl ZINC001457204585 1066789369 /nfs/dbraw/zinc/78/93/69/1066789369.db2.gz ADHZZSBQTKVAAV-UHFFFAOYSA-N 0 0 450.963 4.780 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)CCc3ccc(Br)cc3)n2Cc2ccc(C#N)o2)cs1 ZINC001492668525 1066796375 /nfs/dbraw/zinc/79/63/75/1066796375.db2.gz OGRSJPRJLMNIOV-UHFFFAOYSA-N 0 0 497.422 4.588 20 30 JJEDRN CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CCO1 ZINC001546089366 1066806321 /nfs/dbraw/zinc/80/63/21/1066806321.db2.gz NFNQILHNMRFWKA-XLGIIRLISA-N 0 0 451.615 4.663 20 30 JJEDRN O=C(N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cc(F)c(C(F)(F)F)cc1F ZINC001457326105 1066810332 /nfs/dbraw/zinc/81/03/32/1066810332.db2.gz OBMVGHKIKLOSBJ-JTQLQIEISA-N 0 0 452.301 4.538 20 30 JJEDRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2c1 ZINC001447479504 1066813426 /nfs/dbraw/zinc/81/34/26/1066813426.db2.gz DWINHJAKUHBFQP-DVECYGJZSA-N 0 0 456.546 4.699 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@H](Cc4ccc(C#N)cc4)C3)n2CCOC(C)(C)C)cs1 ZINC001492678917 1066820008 /nfs/dbraw/zinc/82/00/08/1066820008.db2.gz QRUFQOAVFPHHOS-JOCHJYFZSA-N 0 0 478.666 4.780 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCSc2ccccc2)cs1 ZINC001492679140 1066820790 /nfs/dbraw/zinc/82/07/90/1066820790.db2.gz VZMMJUUGJSCPKV-HSZRJFAPSA-N 0 0 452.653 4.946 20 30 JJEDRN C=CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)OCC ZINC001447550782 1066820876 /nfs/dbraw/zinc/82/08/76/1066820876.db2.gz MDZSNCSOJGFLBZ-XMMPIXPASA-N 0 0 458.514 4.969 20 30 JJEDRN C#CCC1(C(=O)N2CCC(Oc3ccccc3I)CC2)CCCCC1 ZINC001457420614 1066827467 /nfs/dbraw/zinc/82/74/67/1066827467.db2.gz FDAICWMACNOEOF-UHFFFAOYSA-N 0 0 451.348 4.635 20 30 JJEDRN Cc1nc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@](C)(C#N)C2)cs1 ZINC001492689053 1066835058 /nfs/dbraw/zinc/83/50/58/1066835058.db2.gz MXHFSSDMJVQJPZ-KBMIEXCESA-N 0 0 499.685 4.530 20 30 JJEDRN COc1ccccc1-c1nc(C2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)no1 ZINC001447652435 1066836059 /nfs/dbraw/zinc/83/60/59/1066836059.db2.gz KNCKANPQXWHTII-UHFFFAOYSA-N 0 0 457.317 4.943 20 30 JJEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC001447653391 1066836763 /nfs/dbraw/zinc/83/67/63/1066836763.db2.gz QVIUBRUSZXEQHU-UHFFFAOYSA-N 0 0 457.349 4.809 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)s1 ZINC001492695507 1066842112 /nfs/dbraw/zinc/84/21/12/1066842112.db2.gz DNYRBTPCFLRGGB-HTAPYJJXSA-N 0 0 450.612 4.813 20 30 JJEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001457536088 1066854463 /nfs/dbraw/zinc/85/44/63/1066854463.db2.gz RWAKRXMVLZIIAZ-FQEVSTJZSA-N 0 0 455.583 4.992 20 30 JJEDRN Cc1ncc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCC#N)CCC(C)C)s1 ZINC001492699994 1066855479 /nfs/dbraw/zinc/85/54/79/1066855479.db2.gz ZUVPTQMMORDVEB-UHFFFAOYSA-N 0 0 462.421 4.615 20 30 JJEDRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001457564024 1066862594 /nfs/dbraw/zinc/86/25/94/1066862594.db2.gz DBJFDFJLICQTSD-RUZDIDTESA-N 0 0 456.542 4.820 20 30 JJEDRN N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(NCCc4ccccc4)cc3)CC2=O)cc1Cl ZINC001457600844 1066875415 /nfs/dbraw/zinc/87/54/15/1066875415.db2.gz KIAAOTZKRZHWSU-FQEVSTJZSA-N 0 0 458.949 4.858 20 30 JJEDRN Cc1nccnc1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(CC#N)CC1 ZINC001492713812 1066880260 /nfs/dbraw/zinc/88/02/60/1066880260.db2.gz WQCHOCWQBOZTIG-UHFFFAOYSA-N 0 0 473.625 4.841 20 30 JJEDRN CCCc1c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)cnn1-c1cccc(C#N)c1 ZINC001447953078 1066881157 /nfs/dbraw/zinc/88/11/57/1066881157.db2.gz AVFAKAWQGCGOAK-UHFFFAOYSA-N 0 0 453.502 4.634 20 30 JJEDRN N#Cc1cccnc1OC1CCC(NC(=O)/C(F)=C\c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001448010976 1066889748 /nfs/dbraw/zinc/88/97/48/1066889748.db2.gz VFYOZQALBAJOOR-YBFXNURJSA-N 0 0 451.395 4.928 20 30 JJEDRN COc1ccccc1OCc1ccc(C(=O)Oc2c(Br)cc(C#N)cc2OC)o1 ZINC001457659079 1066891685 /nfs/dbraw/zinc/89/16/85/1066891685.db2.gz DMNWZZVHAAEBLK-UHFFFAOYSA-N 0 0 458.264 4.729 20 30 JJEDRN Cc1cc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(CCC#N)CCC(C)C)n(C)n1 ZINC001492725222 1066895852 /nfs/dbraw/zinc/89/58/52/1066895852.db2.gz XOARYVCFBGRAIF-UHFFFAOYSA-N 0 0 484.446 4.872 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)s1 ZINC001448158735 1066905365 /nfs/dbraw/zinc/90/53/65/1066905365.db2.gz IOIWAMTWFWLXPK-UWVAXJGDSA-N 0 0 453.029 4.580 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@](C)(C#N)CC(C)C)c1 ZINC001457729456 1066905724 /nfs/dbraw/zinc/90/57/24/1066905724.db2.gz SRYDIARGNLVWMY-QHCPKHFHSA-N 0 0 459.999 4.779 20 30 JJEDRN C=CCCOCCNC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC001457738137 1066907750 /nfs/dbraw/zinc/90/77/50/1066907750.db2.gz JIOQESIWNNGSNQ-UHFFFAOYSA-N 0 0 457.621 4.525 20 30 JJEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)cc1 ZINC001457766424 1066914291 /nfs/dbraw/zinc/91/42/91/1066914291.db2.gz VFCJMVVUUDRFAW-UHFFFAOYSA-N 0 0 459.477 4.651 20 30 JJEDRN Cc1cc(C)n(Cc2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2CCCC(F)(F)F)n1 ZINC001492740332 1066915273 /nfs/dbraw/zinc/91/52/73/1066915273.db2.gz QSRXHYLGFCIOCZ-UHFFFAOYSA-N 0 0 457.504 4.523 20 30 JJEDRN C[C@@](O)(CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1Br ZINC001448450913 1066929062 /nfs/dbraw/zinc/92/90/62/1066929062.db2.gz BDJZDJWFWNNXKS-HSZRJFAPSA-N 0 0 451.320 4.751 20 30 JJEDRN Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(F)(F)F)CC2)n1 ZINC001492760652 1066933059 /nfs/dbraw/zinc/93/30/59/1066933059.db2.gz MIIUTTOGMMFAPR-UHFFFAOYSA-N 0 0 471.531 4.889 20 30 JJEDRN N#Cc1ccc(N2CC[C@H](C(=O)NCc3cc(Cl)cc(Cl)c3OC(F)F)C2)c(F)c1 ZINC001457883511 1066935732 /nfs/dbraw/zinc/93/57/32/1066935732.db2.gz BLVCWTUIWPFTCJ-LBPRGKRZSA-N 0 0 458.267 4.748 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC1 ZINC001448533848 1066936466 /nfs/dbraw/zinc/93/64/66/1066936466.db2.gz XXWRCTJJZHQPIG-UHFFFAOYSA-N 0 0 457.477 4.741 20 30 JJEDRN Cc1nnc(CCCn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@@H](C)CC#N)s1 ZINC001492765887 1066938165 /nfs/dbraw/zinc/93/81/65/1066938165.db2.gz VQKUTYJWRFBUBF-HNNXBMFYSA-N 0 0 455.657 4.807 20 30 JJEDRN CCOC(=O)c1cc2ccccc2cc1NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001448555720 1066939514 /nfs/dbraw/zinc/93/95/14/1066939514.db2.gz XRMJYMKSRQXNCM-UHFFFAOYSA-N 0 0 450.535 4.606 20 30 JJEDRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492798900 1066952188 /nfs/dbraw/zinc/95/21/88/1066952188.db2.gz OZKUUCAFTCBQMF-UHFFFAOYSA-N 0 0 490.374 4.824 20 30 JJEDRN O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N(O)CCCCc1ccccc1 ZINC001457992776 1066953805 /nfs/dbraw/zinc/95/38/05/1066953805.db2.gz KYMHTQBEQSIIJS-UHFFFAOYSA-N 0 0 458.967 4.995 20 30 JJEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)C1 ZINC001457996439 1066954798 /nfs/dbraw/zinc/95/47/98/1066954798.db2.gz OOMPOBGQHSASBG-IVZQSRNASA-N 0 0 455.971 4.861 20 30 JJEDRN C#CCN(CC1CC1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C ZINC001458063115 1066965477 /nfs/dbraw/zinc/96/54/77/1066965477.db2.gz RAGIIQICESCHOP-UHFFFAOYSA-N 0 0 451.423 4.872 20 30 JJEDRN COc1ccc(CN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C2CCCCC2)cc1OC ZINC001458080402 1066969762 /nfs/dbraw/zinc/96/97/62/1066969762.db2.gz LYTMSMTVMXWDPC-UHFFFAOYSA-N 0 0 451.567 4.587 20 30 JJEDRN CC(C)(C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1csc(-c2cccs2)n1 ZINC001545718453 1066972815 /nfs/dbraw/zinc/97/28/15/1066972815.db2.gz HLCGFXTUZMJAIJ-UHFFFAOYSA-N 0 0 452.605 4.621 20 30 JJEDRN CC(C)Oc1ccc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1C#N ZINC001458101146 1066975326 /nfs/dbraw/zinc/97/53/26/1066975326.db2.gz BNDTYYYJHGGPIR-KGENOOAVSA-N 0 0 456.531 4.697 20 30 JJEDRN O=C(N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001449102045 1066982415 /nfs/dbraw/zinc/98/24/15/1066982415.db2.gz HZOZTQDDUDKFHD-KMHUVPDISA-N 0 0 458.349 4.605 20 30 JJEDRN C=CCC[C@@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1 ZINC001458134924 1066985221 /nfs/dbraw/zinc/98/52/21/1066985221.db2.gz MUDMGVYSSWSEJM-HXUWFJFHSA-N 0 0 455.352 4.649 20 30 JJEDRN N#Cc1ccc(OC2CCN(C(=O)c3cccc(COc4cccc(C=O)c4)c3)CC2)c(F)c1 ZINC001449145347 1066985490 /nfs/dbraw/zinc/98/54/90/1066985490.db2.gz DXOXMPNLWGVKQR-UHFFFAOYSA-N 0 0 458.489 4.772 20 30 JJEDRN CCOC(=O)Nc1ccc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1C#N ZINC001458155070 1066990850 /nfs/dbraw/zinc/99/08/50/1066990850.db2.gz NPXZCQMZGLKQOQ-UHFFFAOYSA-N 0 0 458.503 4.688 20 30 JJEDRN C=CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC001449225047 1066990918 /nfs/dbraw/zinc/99/09/18/1066990918.db2.gz NTOXDZUHZWXJIE-UHFFFAOYSA-N 0 0 450.560 4.599 20 30 JJEDRN C=CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)cc1 ZINC001449226338 1066990987 /nfs/dbraw/zinc/99/09/87/1066990987.db2.gz PUNMJDDZGJDHCU-UHFFFAOYSA-N 0 0 450.560 4.599 20 30 JJEDRN C=CC[C@]1(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)CCCN1C(=O)OC(C)(C)C ZINC001449228547 1066991175 /nfs/dbraw/zinc/99/11/75/1066991175.db2.gz NJFWLQLTWVSCJS-QFQXNSOFSA-N 0 0 453.583 4.573 20 30 JJEDRN N#Cc1cnn(-c2ccccc2NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1N ZINC001449228986 1066991257 /nfs/dbraw/zinc/99/12/57/1066991257.db2.gz MIFZADBKCIPODN-UHFFFAOYSA-N 0 0 456.453 4.526 20 30 JJEDRN C=CC[C@]1(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)CCCN1C(=O)OC(C)(C)C ZINC001449228540 1066991415 /nfs/dbraw/zinc/99/14/15/1066991415.db2.gz NJFWLQLTWVSCJS-HFZDXXHNSA-N 0 0 453.583 4.573 20 30 JJEDRN CCOc1ccc([C@]2(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)CC2(Cl)Cl)cc1 ZINC001458173753 1066996273 /nfs/dbraw/zinc/99/62/73/1066996273.db2.gz WYQANWCWMNEIEZ-SFHVURJKSA-N 0 0 454.697 4.973 20 30 JJEDRN C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C)c1ccc(C(F)(F)F)cc1 ZINC001458175263 1066996792 /nfs/dbraw/zinc/99/67/92/1066996792.db2.gz NWIVMQOUCKSZHZ-HXUWFJFHSA-N 0 0 454.514 4.701 20 30 JJEDRN C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC001458178319 1066997884 /nfs/dbraw/zinc/99/78/84/1066997884.db2.gz ZPKNEVJVSUGLKO-FQEVSTJZSA-N 0 0 454.514 4.829 20 30 JJEDRN CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC001449358205 1067003521 /nfs/dbraw/zinc/00/35/21/1067003521.db2.gz UZGOTLJUXLMSJW-KSZLIROESA-N 0 0 452.558 4.650 20 30 JJEDRN CC[C@@H](c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545740978 1067006867 /nfs/dbraw/zinc/00/68/67/1067006867.db2.gz HKHGMQMOPASMJW-NTOOTBGVSA-N 0 0 496.631 4.909 20 30 JJEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(F)(F)c2ccc(Br)cc2)n1 ZINC001458251615 1067012073 /nfs/dbraw/zinc/01/20/73/1067012073.db2.gz AUZNODODBAPJHN-UHFFFAOYSA-N 0 0 451.658 4.890 20 30 JJEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1 ZINC001458253078 1067012901 /nfs/dbraw/zinc/01/29/01/1067012901.db2.gz DKMBFZBWWDCEDB-UHFFFAOYSA-N 0 0 456.815 4.854 20 30 JJEDRN CC[C@@H](c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1csc(COC)n1)c1ccccc1 ZINC001545746588 1067014899 /nfs/dbraw/zinc/01/48/99/1067014899.db2.gz RFNDZGWEOAXPPJ-YKSBVNFPSA-N 0 0 450.612 4.601 20 30 JJEDRN CC(C)(C)OC(=O)N1Cc2sc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c(Br)c2C1 ZINC001458281219 1067020417 /nfs/dbraw/zinc/02/04/17/1067020417.db2.gz ZTMPVMVSCSDNPE-IBGZPJMESA-N 0 0 456.406 4.819 20 30 JJEDRN CCc1nc(C#N)cc(NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)n1 ZINC001458289300 1067022444 /nfs/dbraw/zinc/02/24/44/1067022444.db2.gz YGLNUBCLCJSSPY-UHFFFAOYSA-N 0 0 453.340 4.873 20 30 JJEDRN Cc1sc2nc(CS[C@@H](C)C(=O)OCc3ccc(C4(C#N)CC4)cc3)[nH]c(=O)c2c1C ZINC001458295722 1067024349 /nfs/dbraw/zinc/02/43/49/1067024349.db2.gz FYSLYLZRGJCVGO-HNNXBMFYSA-N 0 0 453.589 4.934 20 30 JJEDRN N#CC1(c2ccc(COC(=O)c3c(Cl)ccc(I)c3F)cc2)CC1 ZINC001458296596 1067024505 /nfs/dbraw/zinc/02/45/05/1067024505.db2.gz HWGMALYXROWJRZ-UHFFFAOYSA-N 0 0 455.654 4.996 20 30 JJEDRN Cc1sc2nc(CS[C@H](C)C(=O)OCc3ccc(C4(C#N)CC4)cc3)[nH]c(=O)c2c1C ZINC001458295724 1067024596 /nfs/dbraw/zinc/02/45/96/1067024596.db2.gz FYSLYLZRGJCVGO-OAHLLOKOSA-N 0 0 453.589 4.934 20 30 JJEDRN C[C@H](c1ccccn1)N(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(N(C)C)cc1 ZINC001458311235 1067026419 /nfs/dbraw/zinc/02/64/19/1067026419.db2.gz WLDMLZYSWKLSSC-CTNGQTDRSA-N 0 0 457.553 4.779 20 30 JJEDRN Cc1nn(-c2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc2)c(C)c1Br ZINC001458324475 1067030857 /nfs/dbraw/zinc/03/08/57/1067030857.db2.gz QHJQBIGDRPMGGL-UHFFFAOYSA-N 0 0 450.340 4.649 20 30 JJEDRN CC[C@H](c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCSC(C)C)c1ccccc1 ZINC001545756166 1067032897 /nfs/dbraw/zinc/03/28/97/1067032897.db2.gz BVEWDAXTHFNORL-QHCPKHFHSA-N 0 0 475.666 4.555 20 30 JJEDRN CC[C@H](c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCSC(C)C)c1ccccc1 ZINC001545756882 1067035029 /nfs/dbraw/zinc/03/50/29/1067035029.db2.gz POVPTXGVURDBNE-QHCPKHFHSA-N 0 0 475.666 4.555 20 30 JJEDRN C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1=O ZINC001450077069 1067047907 /nfs/dbraw/zinc/04/79/07/1067047907.db2.gz GGVKPHWDYQKCDI-AVRWGWEMSA-N 0 0 456.521 4.923 20 30 JJEDRN C=CCN(CCC#N)C(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC001450190303 1067058206 /nfs/dbraw/zinc/05/82/06/1067058206.db2.gz DOKVBXCWKRYSDC-UHFFFAOYSA-N 0 0 455.514 4.860 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C#N)c2cccc(Br)c2)s1 ZINC001458445100 1067062339 /nfs/dbraw/zinc/06/23/39/1067062339.db2.gz BJSVUKPGMKHOKW-CQSZACIVSA-N 0 0 456.818 4.982 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1)NC(=O)OC(C)(C)C ZINC001545773001 1067063146 /nfs/dbraw/zinc/06/31/46/1067063146.db2.gz STCDBPOKRUTLIU-UHFFFAOYSA-N 0 0 494.640 4.683 20 30 JJEDRN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC001458447574 1067063687 /nfs/dbraw/zinc/06/36/87/1067063687.db2.gz MODOMUGLDGFFHZ-SFHVURJKSA-N 0 0 457.353 4.736 20 30 JJEDRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC001458451046 1067065115 /nfs/dbraw/zinc/06/51/15/1067065115.db2.gz FRXARRKVDQWUNK-UHFFFAOYSA-N 0 0 450.490 4.562 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001545774209 1067065647 /nfs/dbraw/zinc/06/56/47/1067065647.db2.gz HHLHMSRGGJVOQH-UHFFFAOYSA-N 0 0 494.640 4.517 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C ZINC001545774374 1067066616 /nfs/dbraw/zinc/06/66/16/1067066616.db2.gz NBBGKXKAACDFIP-JOCHJYFZSA-N 0 0 491.999 4.519 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1)OC ZINC001545774440 1067066778 /nfs/dbraw/zinc/06/67/78/1067066778.db2.gz PULMWKMYQMLNDX-NRFANRHFSA-N 0 0 477.613 4.912 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1)OC ZINC001545774441 1067066978 /nfs/dbraw/zinc/06/69/78/1067066978.db2.gz PULMWKMYQMLNDX-OAQYLSRUSA-N 0 0 477.613 4.912 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)SC ZINC001545776047 1067070295 /nfs/dbraw/zinc/07/02/95/1067070295.db2.gz UIUJYEJRSYGEKF-KRWDZBQOSA-N 0 0 480.604 4.811 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1)SC ZINC001545776106 1067070702 /nfs/dbraw/zinc/07/07/02/1067070702.db2.gz WBTBPXWAKXHITI-QFIPXVFZSA-N 0 0 492.697 4.864 20 30 JJEDRN COCc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1-c1ccccc1 ZINC001458517987 1067079501 /nfs/dbraw/zinc/07/95/01/1067079501.db2.gz NRKWYRANWZHWNL-VWLOTQADSA-N 0 0 452.514 4.592 20 30 JJEDRN N#Cc1ccncc1N1CCN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CC1 ZINC001450473198 1067083644 /nfs/dbraw/zinc/08/36/44/1067083644.db2.gz MWSKXNYIVLKPIM-UHFFFAOYSA-N 0 0 458.465 4.543 20 30 JJEDRN Cc1cc(N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)n2c3ccccc3nc2c1C#N ZINC001458543477 1067085121 /nfs/dbraw/zinc/08/51/21/1067085121.db2.gz QFCDVUUGIBHRIZ-QGZVFWFLSA-N 0 0 455.345 4.851 20 30 JJEDRN CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC001458552402 1067086957 /nfs/dbraw/zinc/08/69/57/1067086957.db2.gz ZDMRBTYVTPKAFN-GOSISDBHSA-N 0 0 450.505 4.978 20 30 JJEDRN CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC001458552405 1067087005 /nfs/dbraw/zinc/08/70/05/1067087005.db2.gz ZDMRBTYVTPKAFN-SFHVURJKSA-N 0 0 450.505 4.978 20 30 JJEDRN CCC(CC)(Cn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545792513 1067090115 /nfs/dbraw/zinc/09/01/15/1067090115.db2.gz CDUSHMIIFCCBLE-FQEVSTJZSA-N 0 0 493.656 4.960 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC2(CO[C@H](CNc3cc(Br)ccc3C#N)C2)CC1 ZINC001458577060 1067090448 /nfs/dbraw/zinc/09/04/48/1067090448.db2.gz XAPVAXFUBSSQKM-KRWDZBQOSA-N 0 0 450.377 4.539 20 30 JJEDRN CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1)OC ZINC001545792882 1067091272 /nfs/dbraw/zinc/09/12/72/1067091272.db2.gz PQCZVUYHIMQVDR-UHFFFAOYSA-N 0 0 464.397 4.833 20 30 JJEDRN Cc1csc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1I ZINC001458620005 1067097350 /nfs/dbraw/zinc/09/73/50/1067097350.db2.gz GRIYLRILPFUONZ-NSHDSACASA-N 0 0 450.223 4.675 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC2(CC1)OCCO2)OC ZINC001545798136 1067098719 /nfs/dbraw/zinc/09/87/19/1067098719.db2.gz GKRQZMGEVCNSIU-XMMPIXPASA-N 0 0 481.641 4.780 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)OC ZINC001545798888 1067102917 /nfs/dbraw/zinc/10/29/17/1067102917.db2.gz SVLIBQCTSSAYEV-ZEQRLZLVSA-N 0 0 494.684 4.789 20 30 JJEDRN CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)OC ZINC001545798885 1067103036 /nfs/dbraw/zinc/10/30/36/1067103036.db2.gz SVLIBQCTSSAYEV-BJKOFHAPSA-N 0 0 494.684 4.789 20 30 JJEDRN N#Cc1cc(F)c(N2CCC[C@](O)(c3ccc(Br)cc3)C2)cc1Br ZINC001458669359 1067105164 /nfs/dbraw/zinc/10/51/64/1067105164.db2.gz RXDHWYLFYYXFTB-GOSISDBHSA-N 0 0 454.137 4.710 20 30 JJEDRN C#CCCN(CC(F)(F)F)C(=O)CCCCCc1ccc(I)cc1 ZINC001458697192 1067111489 /nfs/dbraw/zinc/11/14/89/1067111489.db2.gz YWQCZPOWQGHGPV-UHFFFAOYSA-N 0 0 451.270 4.808 20 30 JJEDRN C=CCn1c(SCC(=O)N(C)C2CCC(C)CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001458726860 1067119745 /nfs/dbraw/zinc/11/97/45/1067119745.db2.gz BHUYDPNXSIIPEQ-AQFXKWCLSA-N 0 0 459.681 4.898 20 30 JJEDRN N#CCCOCCSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 ZINC001458743774 1067129732 /nfs/dbraw/zinc/12/97/32/1067129732.db2.gz BPOZPKDBVQXOOM-UHFFFAOYSA-N 0 0 457.397 4.973 20 30 JJEDRN CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001546027535 1067136832 /nfs/dbraw/zinc/13/68/32/1067136832.db2.gz CIHQNLSJTKXGFM-FQEVSTJZSA-N 0 0 494.665 4.700 20 30 JJEDRN C=CCNc1ncc(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)s1 ZINC001451036074 1067141332 /nfs/dbraw/zinc/14/13/32/1067141332.db2.gz OEKACGUSAJNYLI-UHFFFAOYSA-N 0 0 452.765 4.654 20 30 JJEDRN CCOc1ccc(-n2c(SCC(=O)Cc3ccc(C#N)cc3)nnc2-c2ccncc2)cc1 ZINC001458788333 1067147933 /nfs/dbraw/zinc/14/79/33/1067147933.db2.gz ZDJMJSZDJHCOSK-UHFFFAOYSA-N 0 0 455.543 4.504 20 30 JJEDRN COc1cccc([C@@H](OC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c2ccncc2)c1 ZINC001458807325 1067151340 /nfs/dbraw/zinc/15/13/40/1067151340.db2.gz HFFLRVWBAPMYBS-VXKWHMMOSA-N 0 0 453.539 4.700 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC001451187817 1067152814 /nfs/dbraw/zinc/15/28/14/1067152814.db2.gz ZZHRFQLPNZIGLG-UHFFFAOYSA-N 0 0 451.317 4.884 20 30 JJEDRN C=CCn1c(SCc2cccc(C(=O)OC)c2Cl)nnc1[C@H]1COc2ccccc2O1 ZINC001458827119 1067159239 /nfs/dbraw/zinc/15/92/39/1067159239.db2.gz MCRHFBZRUHGZIF-GOSISDBHSA-N 0 0 457.939 4.709 20 30 JJEDRN CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCC(NC(C)=O)CC2)on1 ZINC001545823712 1067168187 /nfs/dbraw/zinc/16/81/87/1067168187.db2.gz WFBVRMAJOWNZNO-UHFFFAOYSA-N 0 0 489.624 4.640 20 30 JJEDRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)on1 ZINC001545824594 1067169281 /nfs/dbraw/zinc/16/92/81/1067169281.db2.gz CRQDSFWBWKXADI-XMMPIXPASA-N 0 0 462.598 4.866 20 30 JJEDRN CCOc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2=O)cc1 ZINC001458845944 1067170591 /nfs/dbraw/zinc/17/05/91/1067170591.db2.gz BNFZLGGEDYXFCD-YADARESESA-N 0 0 453.542 4.854 20 30 JJEDRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC001458850948 1067171931 /nfs/dbraw/zinc/17/19/31/1067171931.db2.gz MHXOWCBWPRXDCR-NIYFSFCBSA-N 0 0 453.542 4.716 20 30 JJEDRN CC(=O)c1ccc(Oc2ccc(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)cc1 ZINC001458851466 1067172514 /nfs/dbraw/zinc/17/25/14/1067172514.db2.gz CNSQXYSPVJFXIX-UHFFFAOYSA-N 0 0 450.498 4.884 20 30 JJEDRN COC(=O)c1cccc(CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)c1C#N ZINC001458854937 1067174385 /nfs/dbraw/zinc/17/43/85/1067174385.db2.gz VLQVEUBNNJRDEC-KRWDZBQOSA-N 0 0 455.539 4.956 20 30 JJEDRN CC(C)OC(=O)c1cccc(-c2nnn(CCC(C#N)(c3ccccc3)c3ccccc3)n2)c1 ZINC001458868916 1067179565 /nfs/dbraw/zinc/17/95/65/1067179565.db2.gz HSPUKNVAKFMYAQ-UHFFFAOYSA-N 0 0 451.530 4.805 20 30 JJEDRN COc1ccccc1-n1c(SCCOCCC#N)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001458874066 1067181809 /nfs/dbraw/zinc/18/18/09/1067181809.db2.gz YIJVNNPXRLZXPA-HNNXBMFYSA-N 0 0 455.605 4.603 20 30 JJEDRN FC(F)(F)c1ccc(C#CCSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)cc1 ZINC001458891460 1067187782 /nfs/dbraw/zinc/18/77/82/1067187782.db2.gz NVYCXZZLSUMGOV-IBGZPJMESA-N 0 0 450.530 4.610 20 30 JJEDRN COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)ccc1N1CCCCC1 ZINC001451737065 1067190183 /nfs/dbraw/zinc/19/01/83/1067190183.db2.gz JXTWNBHYYIPGIV-UHFFFAOYSA-N 0 0 450.564 4.582 20 30 JJEDRN C=CCn1c(S[C@@H](C)C(=O)CC(=O)OCC)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC001458899939 1067190215 /nfs/dbraw/zinc/19/02/15/1067190215.db2.gz RDIZTEAEZZAREL-HNNXBMFYSA-N 0 0 456.589 4.622 20 30 JJEDRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001458905161 1067192099 /nfs/dbraw/zinc/19/20/99/1067192099.db2.gz DEGUCMIZYLYILZ-MHZLTWQESA-N 0 0 455.514 4.526 20 30 JJEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC001545846422 1067198747 /nfs/dbraw/zinc/19/87/47/1067198747.db2.gz NQCJBZFYMMPAAX-UHFFFAOYSA-N 0 0 451.596 4.880 20 30 JJEDRN COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1cc(Br)ccc1Cl ZINC001458924463 1067198873 /nfs/dbraw/zinc/19/88/73/1067198873.db2.gz MVBGCLFMFDRROB-UHFFFAOYSA-N 0 0 451.748 4.800 20 30 JJEDRN Cc1nc(CN2CCC(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)CC2)cs1 ZINC001451967611 1067201074 /nfs/dbraw/zinc/20/10/74/1067201074.db2.gz DIMKYRGKQDPBMN-HNNXBMFYSA-N 0 0 450.530 4.623 20 30 JJEDRN COc1cc(N)c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cc1Br ZINC001451972123 1067201848 /nfs/dbraw/zinc/20/18/48/1067201848.db2.gz KOFZBEJYAVWKIX-LLVKDONJSA-N 0 0 456.262 4.613 20 30 JJEDRN COc1ccccc1Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC001458937439 1067202950 /nfs/dbraw/zinc/20/29/50/1067202950.db2.gz XFFPJSZZHFYJNO-UHFFFAOYSA-N 0 0 454.577 4.602 20 30 JJEDRN CCOc1ccc(-n2c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc2-c2cccs2)cc1 ZINC001458986424 1067220099 /nfs/dbraw/zinc/22/00/99/1067220099.db2.gz SCMCGSOFBSIEHM-JOCHJYFZSA-N 0 0 455.609 4.541 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2cc(C)c(C(=O)OCC)s2)nnc1-c1ccc(C)cc1 ZINC001459000010 1067225871 /nfs/dbraw/zinc/22/58/71/1067225871.db2.gz MXBGMDQDBKWDMJ-UHFFFAOYSA-N 0 0 456.593 4.717 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc3c([nH]2)c(Cl)ccc3Br)C1 ZINC001452486400 1067226823 /nfs/dbraw/zinc/22/68/23/1067226823.db2.gz KDRUKOOCQFJFQM-OAHLLOKOSA-N 0 0 457.759 4.806 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccccc2NC(=O)OCc2ccccc2)C1 ZINC001452488404 1067227174 /nfs/dbraw/zinc/22/71/74/1067227174.db2.gz PMVYMIRSTFOQGM-QHCPKHFHSA-N 0 0 454.530 4.658 20 30 JJEDRN CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC001452496701 1067228680 /nfs/dbraw/zinc/22/86/80/1067228680.db2.gz JFPUEHXRMDRIDU-NRFANRHFSA-N 0 0 458.543 4.969 20 30 JJEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nc(C(F)(F)F)ccc2C#N)c1C#N ZINC001459030822 1067233893 /nfs/dbraw/zinc/23/38/93/1067233893.db2.gz DFBSAMVDGDBYAO-UHFFFAOYSA-N 0 0 459.453 4.634 20 30 JJEDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001459032342 1067234293 /nfs/dbraw/zinc/23/42/93/1067234293.db2.gz ISSGAPSHUYSIQS-CQSZACIVSA-N 0 0 455.308 4.992 20 30 JJEDRN CCN(C(=O)COc1cc(C#N)ccc1I)c1cccc2ccccc21 ZINC001459061813 1067241807 /nfs/dbraw/zinc/24/18/07/1067241807.db2.gz ZTLCSGBOYMZZJJ-UHFFFAOYSA-N 0 0 456.283 4.748 20 30 JJEDRN O=C(Oc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC001459073361 1067245273 /nfs/dbraw/zinc/24/52/73/1067245273.db2.gz NOIIAOFSRWNSRR-UHFFFAOYSA-N 0 0 454.689 4.712 20 30 JJEDRN C[C@H](Sc1nnc2ccc(Br)cn21)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC001459090461 1067249256 /nfs/dbraw/zinc/24/92/56/1067249256.db2.gz UPYGGCQBVPHZMO-FHNWIRHTSA-N 0 0 457.397 4.853 20 30 JJEDRN COc1cc(Br)c(N)c(C(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)c1 ZINC001452762246 1067249588 /nfs/dbraw/zinc/24/95/88/1067249588.db2.gz GTMWTVQMNUHQTK-UHFFFAOYSA-N 0 0 453.296 4.660 20 30 JJEDRN C[C@H]1O[C@@H](C)Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cc(C#N)cc(N(C)C)c3)sc21 ZINC001459158566 1067263524 /nfs/dbraw/zinc/26/35/24/1067263524.db2.gz HEQZCDQOPIUCIV-UONOGXRCSA-N 0 0 455.580 4.916 20 30 JJEDRN CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001452947435 1067266515 /nfs/dbraw/zinc/26/65/15/1067266515.db2.gz LMQSTVYFQIBMNC-JOCHJYFZSA-N 0 0 451.320 4.919 20 30 JJEDRN CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC001452950152 1067266547 /nfs/dbraw/zinc/26/65/47/1067266547.db2.gz YBRCRYBALXHEGR-RUZDIDTESA-N 0 0 456.933 4.870 20 30 JJEDRN C=C(C)[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001459183198 1067267337 /nfs/dbraw/zinc/26/73/37/1067267337.db2.gz KGAPIYFHOOTSPE-MRXNPFEDSA-N 0 0 458.202 4.525 20 30 JJEDRN C=C(C)[C@H](NC(=O)c1cc(S(=O)(=O)CC)ccc1Br)c1ccc(F)c(F)c1 ZINC001459184132 1067267349 /nfs/dbraw/zinc/26/73/49/1067267349.db2.gz LYVZGHMNQGXOAG-SFHVURJKSA-N 0 0 458.324 4.568 20 30 JJEDRN N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccc(-c3cccs3)cc2)C1 ZINC001452990858 1067271174 /nfs/dbraw/zinc/27/11/74/1067271174.db2.gz MHFFRSBGLMFGQB-UHFFFAOYSA-N 0 0 452.377 4.802 20 30 JJEDRN N#Cc1cccnc1OC1CCC(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC001459211791 1067271916 /nfs/dbraw/zinc/27/19/16/1067271916.db2.gz QEYWECCIRODZPA-UHFFFAOYSA-N 0 0 450.926 4.701 20 30 JJEDRN C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)C1 ZINC001452996851 1067272794 /nfs/dbraw/zinc/27/27/94/1067272794.db2.gz BVZACUWDXQCLRZ-GOSISDBHSA-N 0 0 459.011 4.515 20 30 JJEDRN COc1ccc(Cn2cnc(-c3ccc(Cl)cc3)c2NC(=O)CC2(C#N)CC2)cc1OC ZINC001459221250 1067272866 /nfs/dbraw/zinc/27/28/66/1067272866.db2.gz MMRSOFUBZFESGT-UHFFFAOYSA-N 0 0 450.926 4.901 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@H](C)CC#N)O1 ZINC001546047649 1067278272 /nfs/dbraw/zinc/27/82/72/1067278272.db2.gz BKIPDHBGTNJLLN-IVZHQMGZSA-N 0 0 464.383 4.933 20 30 JJEDRN COc1ccc(CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C(C)(C)C)c(OC)c1 ZINC001459265984 1067279304 /nfs/dbraw/zinc/27/93/04/1067279304.db2.gz DBBURORFNGKDIG-UHFFFAOYSA-N 0 0 453.558 4.758 20 30 JJEDRN C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)cc1 ZINC001459262504 1067279375 /nfs/dbraw/zinc/27/93/75/1067279375.db2.gz IHNBFDSWUOHDFY-SFTDATJTSA-N 0 0 454.523 4.898 20 30 JJEDRN C=CCCC(=O)Nc1ccc(COC(=O)c2cc3ccc(Br)cc3c(=O)o2)cc1 ZINC001459266829 1067279888 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Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001459523279 1067344295 /nfs/dbraw/zinc/34/42/95/1067344295.db2.gz FAJXHQHTOVQDQB-AZGAKELHSA-N 0 0 452.558 4.958 20 30 JJEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001459547016 1067348497 /nfs/dbraw/zinc/34/84/97/1067348497.db2.gz XUOHFQRPNMUWKB-FUHWJXTLSA-N 0 0 453.583 4.950 20 30 JJEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001459547011 1067348530 /nfs/dbraw/zinc/34/85/30/1067348530.db2.gz XUOHFQRPNMUWKB-AEFFLSMTSA-N 0 0 453.583 4.950 20 30 JJEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@@H](C)O[C@H](C(F)(F)F)C3)sc2C1 ZINC001459554981 1067349766 /nfs/dbraw/zinc/34/97/66/1067349766.db2.gz BIFIFEBENILRRU-LBTNJELSSA-N 0 0 457.562 4.751 20 30 JJEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCO[C@@H](c4ccc(Cl)s4)C3)sc2C1 ZINC001459587861 1067357947 /nfs/dbraw/zinc/35/79/47/1067357947.db2.gz ZVNWGNHZTBBFCX-CZUORRHYSA-N 0 0 450.029 4.862 20 30 JJEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCO[C@H](c4ccc(Cl)s4)C3)sc2C1 ZINC001459587856 1067358047 /nfs/dbraw/zinc/35/80/47/1067358047.db2.gz ZVNWGNHZTBBFCX-CJNGLKHVSA-N 0 0 450.029 4.862 20 30 JJEDRN Cc1nc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)sc1Cc1c(F)cccc1F ZINC001459635261 1067369129 /nfs/dbraw/zinc/36/91/29/1067369129.db2.gz BKIVTZMQZOQTKO-OAHLLOKOSA-N 0 0 456.493 4.796 20 30 JJEDRN N#Cc1ccc(OC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c(I)c1 ZINC001459653209 1067372743 /nfs/dbraw/zinc/37/27/43/1067372743.db2.gz RVBSIZWODHKBBN-UHFFFAOYSA-N 0 0 457.189 4.819 20 30 JJEDRN Cc1ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cc1C(=O)N1CCCCC1 ZINC001459688349 1067384151 /nfs/dbraw/zinc/38/41/51/1067384151.db2.gz XEDUAUMNEDCYTF-NRFANRHFSA-N 0 0 456.587 4.537 20 30 JJEDRN Cc1ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cc1C(=O)N1CCCCC1 ZINC001459688351 1067384206 /nfs/dbraw/zinc/38/42/06/1067384206.db2.gz XEDUAUMNEDCYTF-OAQYLSRUSA-N 0 0 456.587 4.537 20 30 JJEDRN C#Cc1cccc(N(CC)CC(=O)Nc2c(Br)cc(C)cc2Br)c1 ZINC001459752265 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WGJKWQILTJZPTA-NRFANRHFSA-N 0 0 455.396 4.867 20 30 JJEDRN N#Cc1cccc(-c2cc(C(=O)Nc3nc(-c4ccc(Br)cn4)cs3)on2)c1 ZINC001459950451 1067503853 /nfs/dbraw/zinc/50/38/53/1067503853.db2.gz IZRZYNPZQNYHNC-UHFFFAOYSA-N 0 0 452.293 4.747 20 30 JJEDRN N#Cc1cccc(S(=O)(=O)CCN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001459961016 1067508508 /nfs/dbraw/zinc/50/85/08/1067508508.db2.gz RIMNRNWMMJTZBX-KRWDZBQOSA-N 0 0 450.404 4.634 20 30 JJEDRN CC(C)[C@H](C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)N1Cc2ccccc2C1=O ZINC001459997908 1067520264 /nfs/dbraw/zinc/52/02/64/1067520264.db2.gz TXAKZUKWIAFRRC-XMMPIXPASA-N 0 0 455.562 4.661 20 30 JJEDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1 ZINC001459998010 1067520360 /nfs/dbraw/zinc/52/03/60/1067520360.db2.gz UVAGMCAEFCXQKY-UHFFFAOYSA-N 0 0 457.578 4.908 20 30 JJEDRN CN(CCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C(=O)OCc1ccccc1 ZINC001459999817 1067521451 /nfs/dbraw/zinc/52/14/51/1067521451.db2.gz YDGCSZKDTLKBMB-UHFFFAOYSA-N 0 0 459.550 4.639 20 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CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC001460231664 1067585376 /nfs/dbraw/zinc/58/53/76/1067585376.db2.gz LIHPURCLZNNDKL-ZJSXRUAMSA-N 0 0 477.580 4.886 20 30 JJEDRN C[C@H](C#N)N(CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC001460281684 1067597526 /nfs/dbraw/zinc/59/75/26/1067597526.db2.gz YIUSPCPBGBKURK-IIBYNOLFSA-N 0 0 458.509 4.782 20 30 JJEDRN C=CCn1c(SCC(=O)N2CC(C)(C)[C@H]2c2cccnc2)nnc1-c1ccc(Cl)cc1 ZINC001460307835 1067604265 /nfs/dbraw/zinc/60/42/65/1067604265.db2.gz MLBYSEGVJIRCDK-HXUWFJFHSA-N 0 0 453.999 4.881 20 30 JJEDRN C=CCN(C(=O)CN1C[C@@H](C)C(=O)[C@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460372725 1067620880 /nfs/dbraw/zinc/62/08/80/1067620880.db2.gz XEORBXUZXLWQOQ-ZIAGYGMSSA-N 0 0 452.407 4.793 20 30 JJEDRN C[C@@H]1Cc2c(C#N)c(NC(=O)c3cn(-c4ccccc4Br)nn3)sc2[C@@H](C)C1 ZINC001460377339 1067621659 /nfs/dbraw/zinc/62/16/59/1067621659.db2.gz IVKHQEIMBJFBSI-RYUDHWBXSA-N 0 0 456.369 4.901 20 30 JJEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@H](CCCC#N)c3ccccc3)c2)C1 ZINC001460433860 1067633943 /nfs/dbraw/zinc/63/39/43/1067633943.db2.gz AQLBZHVFILAPGR-JXALWOEJSA-N 0 0 453.608 4.518 20 30 JJEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1C#N ZINC001460462068 1067638657 /nfs/dbraw/zinc/63/86/57/1067638657.db2.gz TUVXLHQRZHFKBY-DENIHFKCSA-N 0 0 460.500 4.554 20 30 JJEDRN C[C@H]1CCc2sc(NC(=O)[C@H]3C[C@@H](F)CN3C(=O)OCc3ccccc3)c(C#N)c2[C@H]1C ZINC001460566214 1067657273 /nfs/dbraw/zinc/65/72/73/1067657273.db2.gz DBHFBSHXASFCLE-MFWIUYSUSA-N 0 0 455.555 4.993 20 30 JJEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001460572733 1067658713 /nfs/dbraw/zinc/65/87/13/1067658713.db2.gz GLDUPFFDEMXLTR-KDOFPFPSSA-N 0 0 452.407 4.897 20 30 JJEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@H](CCc2ccccc2)C(F)F)c1C#N ZINC001460577631 1067659620 /nfs/dbraw/zinc/65/96/20/1067659620.db2.gz NRPAKSSJIDZMPC-JOCHJYFZSA-N 0 0 454.521 4.755 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611851 1067671666 /nfs/dbraw/zinc/67/16/66/1067671666.db2.gz UBIDXFFSCCYHQR-FGZHOGPDSA-N 0 0 456.631 4.708 20 30 JJEDRN CCc1ccc([C@@H](C#N)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)cc1 ZINC001460652010 1067687914 /nfs/dbraw/zinc/68/79/14/1067687914.db2.gz VVXCWWPRDUXPKJ-VQTJNVASSA-N 0 0 456.974 4.943 20 30 JJEDRN O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001460666434 1067693547 /nfs/dbraw/zinc/69/35/47/1067693547.db2.gz JKAPKABAKPVLAB-UHFFFAOYSA-N 0 0 458.261 4.763 20 30 JJEDRN Cc1cccn(Cc2c(F)cccc2NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1=O ZINC001460688134 1067702015 /nfs/dbraw/zinc/70/20/15/1067702015.db2.gz HCGUGKBKCGGRFA-UHFFFAOYSA-N 0 0 454.461 4.655 20 30 JJEDRN N#Cc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3ccc(Br)cc3)CC2)cn1 ZINC001460747983 1067714788 /nfs/dbraw/zinc/71/47/88/1067714788.db2.gz XOVXTKWZGIEOHP-QHCPKHFHSA-N 0 0 451.343 4.766 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC001460753707 1067716514 /nfs/dbraw/zinc/71/65/14/1067716514.db2.gz ZBBGVJLQCNBVMT-RDJZCZTQSA-N 0 0 450.423 4.692 20 30 JJEDRN Cc1cc(Br)c(COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1Cl ZINC001460758083 1067717763 /nfs/dbraw/zinc/71/77/63/1067717763.db2.gz KZXNDOWFNYMFLD-AWEZNQCLSA-N 0 0 451.723 4.991 20 30 JJEDRN C=CCOc1ccc(Br)cc1NC(=O)CCn1c2ccccc2n(CCC)c1=O ZINC001460780366 1067722121 /nfs/dbraw/zinc/72/21/21/1067722121.db2.gz GGUKPQXWGKYQMB-UHFFFAOYSA-N 0 0 458.356 4.569 20 30 JJEDRN C#C[C@@H](NC(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC)c1ccc(Cl)cc1F ZINC001460787368 1067723626 /nfs/dbraw/zinc/72/36/26/1067723626.db2.gz LAWWKZDRPIKOQK-KBXCAEBGSA-N 0 0 453.988 4.634 20 30 JJEDRN C#C[C@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1 ZINC001460792364 1067724575 /nfs/dbraw/zinc/72/45/75/1067724575.db2.gz YZCVYIPNPXAPFU-QGZVFWFLSA-N 0 0 451.375 4.516 20 30 JJEDRN N#C[C@H]1CCC[C@H](OC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 ZINC001460798709 1067726245 /nfs/dbraw/zinc/72/62/45/1067726245.db2.gz TWIRTBUCBPRSQA-YJBOKZPZSA-N 0 0 456.955 4.957 20 30 JJEDRN N#Cc1c(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cccc1OC(F)(F)F ZINC001460818069 1067728983 /nfs/dbraw/zinc/72/89/83/1067728983.db2.gz HYHAQRRRSPPSCT-UHFFFAOYSA-N 0 0 451.202 4.657 20 30 JJEDRN FC1(F)[C@H]2CN(Cc3ccn(CCc4ccccc4)n3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC001460880464 1067741412 /nfs/dbraw/zinc/74/14/12/1067741412.db2.gz ZXUYXZKWQZQFHW-IYBDPMFKSA-N 0 0 453.377 4.729 20 30 JJEDRN COC(=O)[C@]1(NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@@H](C)c2ccccc21 ZINC001460972847 1067755150 /nfs/dbraw/zinc/75/51/50/1067755150.db2.gz ZWABVQMBBWBCAM-UZEJHQAJSA-N 0 0 451.592 4.575 20 30 JJEDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(C#N)c3Br)cc2[N+](=O)[O-])C1 ZINC001461016638 1067762505 /nfs/dbraw/zinc/76/25/05/1067762505.db2.gz UJYAWJYNZVDHMH-OKILXGFUSA-N 0 0 457.328 4.964 20 30 JJEDRN CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CCS1 ZINC001546120996 1067767663 /nfs/dbraw/zinc/76/76/63/1067767663.db2.gz HFDVNIACJXJBFU-HXUWFJFHSA-N 0 0 471.696 4.984 20 30 JJEDRN COc1cccc(OC)c1Oc1ccc(CNCc2cc(C#N)ccc2Br)cn1 ZINC001461063998 1067773878 /nfs/dbraw/zinc/77/38/78/1067773878.db2.gz MMDZXLBSZAUXPL-UHFFFAOYSA-N 0 0 454.324 4.815 20 30 JJEDRN COc1cc(CCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cc(OC)c1OC ZINC001461064083 1067773941 /nfs/dbraw/zinc/77/39/41/1067773941.db2.gz FDLZWBZXALUZKR-OAHLLOKOSA-N 0 0 450.457 4.605 20 30 JJEDRN Cc1cc(C)cc(N(CCC(=O)N[C@@H]2CC[C@H](C#N)C2)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC001461070502 1067775751 /nfs/dbraw/zinc/77/57/51/1067775751.db2.gz LOHDKJMOMWKZKE-XUZZJYLKSA-N 0 0 475.614 4.851 20 30 JJEDRN N#CCSc1cccc(C(=O)Oc2c(Br)cc(C#N)cc2Br)c1 ZINC001461147875 1067788991 /nfs/dbraw/zinc/78/89/91/1067788991.db2.gz IAXFHYOCSSYUQH-UHFFFAOYSA-N 0 0 452.127 4.918 20 30 JJEDRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2ccc(CC#N)cc2)cc1 ZINC001461155664 1067790755 /nfs/dbraw/zinc/79/07/55/1067790755.db2.gz LYKNDILYLQPXPT-UHFFFAOYSA-N 0 0 450.585 4.627 20 30 JJEDRN C#CCCOc1ccc(C(=O)N2CCOc3c2cc(Br)cc3C(F)(F)F)cc1 ZINC001461305409 1067824208 /nfs/dbraw/zinc/82/42/08/1067824208.db2.gz QHTBMDPNPIVFES-UHFFFAOYSA-N 0 0 454.242 4.909 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1csc(-c2ccccc2)n1 ZINC001461341190 1067833726 /nfs/dbraw/zinc/83/37/26/1067833726.db2.gz HZYBGQOELNUZEP-UHFFFAOYSA-N 0 0 458.337 4.860 20 30 JJEDRN COC(=O)c1nc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1Cl ZINC001461459374 1067861716 /nfs/dbraw/zinc/86/17/16/1067861716.db2.gz HDFCITJXBPSEPB-UHFFFAOYSA-N 0 0 456.285 4.769 20 30 JJEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NCc2ccc(OC(F)F)cc2F)c1 ZINC001461551495 1067886748 /nfs/dbraw/zinc/88/67/48/1067886748.db2.gz JQBVONHPKKGAEM-LHLOQNFPSA-N 0 0 455.502 4.632 20 30 JJEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)c2ccc(N3CCOCC3)cc2)s1 ZINC001461573196 1067891285 /nfs/dbraw/zinc/89/12/85/1067891285.db2.gz RDYUEFZCOKFCFW-UHFFFAOYSA-N 0 0 452.045 4.728 20 30 JJEDRN Cn1ncc(C(F)(F)F)c1CNc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001461628780 1067905271 /nfs/dbraw/zinc/90/52/71/1067905271.db2.gz HEYLDVWVSJLMKN-UHFFFAOYSA-N 0 0 451.289 4.933 20 30 JJEDRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)c1cc(-c3cccc(C#N)c3)no1)CCC2 ZINC001461635669 1067906839 /nfs/dbraw/zinc/90/68/39/1067906839.db2.gz RQDUDBBEWYRHKW-UHFFFAOYSA-N 0 0 458.518 4.831 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC001461652564 1067910434 /nfs/dbraw/zinc/91/04/34/1067910434.db2.gz QPZIGYZXESJIFD-UHFFFAOYSA-N 0 0 455.942 4.994 20 30 JJEDRN O=C(Nc1ccnc(F)c1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001461695577 1067920477 /nfs/dbraw/zinc/92/04/77/1067920477.db2.gz VJQAKAHTWOCQEX-UHFFFAOYSA-N 0 0 453.705 4.803 20 30 JJEDRN CC(=O)N1CCc2c(C#N)c(NC(=O)c3cccc4c(Br)cccc34)sc2C1 ZINC001461785489 1067936898 /nfs/dbraw/zinc/93/68/98/1067936898.db2.gz IFOROHRLPWREOV-UHFFFAOYSA-N 0 0 454.349 4.692 20 30 JJEDRN O[C@@](CNCc1c(F)cccc1N1CCCC1)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001461836660 1067944472 /nfs/dbraw/zinc/94/44/72/1067944472.db2.gz GXNRCPGHIUJSEZ-IBGZPJMESA-N 0 0 450.398 4.984 20 30 JJEDRN O[C@](CNCc1c(F)cccc1N1CCCC1)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001461836666 1067944492 /nfs/dbraw/zinc/94/44/92/1067944492.db2.gz GXNRCPGHIUJSEZ-LJQANCHMSA-N 0 0 450.398 4.984 20 30 JJEDRN COc1cc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(OC)c1OCC(F)F ZINC001461883979 1067954120 /nfs/dbraw/zinc/95/41/20/1067954120.db2.gz KHXWVNPXCVQNHM-VXGBXAGGSA-N 0 0 451.354 4.910 20 30 JJEDRN Fc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(I)c1 ZINC001461884935 1067954541 /nfs/dbraw/zinc/95/45/41/1067954541.db2.gz LZPYDJZPINCOHC-UWVGGRQHSA-N 0 0 455.155 4.993 20 30 JJEDRN O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC001461930170 1067963260 /nfs/dbraw/zinc/96/32/60/1067963260.db2.gz ZKTRABDHKPGOEN-UHFFFAOYSA-N 0 0 450.354 4.701 20 30 JJEDRN C#CCOCCNC(=O)c1cc(F)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001546128632 1067978173 /nfs/dbraw/zinc/97/81/73/1067978173.db2.gz GYZBDAGUBSNRRB-UHFFFAOYSA-N 0 0 458.489 4.566 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 ZINC001462013825 1067980862 /nfs/dbraw/zinc/98/08/62/1067980862.db2.gz WWQJLSIHRDDHQY-UHFFFAOYSA-N 0 0 454.958 4.957 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)cc1OC ZINC001462048134 1067989977 /nfs/dbraw/zinc/98/99/77/1067989977.db2.gz HVILITIPSKRBRS-AUFLAJAUSA-N 0 0 456.583 4.566 20 30 JJEDRN N#CCCCN1C(=O)CCc2cc(NCc3cn(-c4cccc(Cl)c4Cl)nn3)ccc21 ZINC001462094426 1068000952 /nfs/dbraw/zinc/00/09/52/1068000952.db2.gz LBSJBANQXFKYFA-UHFFFAOYSA-N 0 0 455.349 4.769 20 30 JJEDRN C=CCc1ccc(OCC(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)c(OC)c1 ZINC001462148360 1068015815 /nfs/dbraw/zinc/01/58/15/1068015815.db2.gz SOHHRDJAPPBVON-LEWJYISDSA-N 0 0 452.551 4.822 20 30 JJEDRN CC(C)(C)OC(=O)NCc1ccc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC001462180348 1068023405 /nfs/dbraw/zinc/02/34/05/1068023405.db2.gz WVBVRVNPFKCSOK-HSZRJFAPSA-N 0 0 455.002 4.747 20 30 JJEDRN Cc1cccc(CN2CCO[C@H](CNC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)C2)c1 ZINC001462234686 1068034727 /nfs/dbraw/zinc/03/47/27/1068034727.db2.gz OIZFTPGZLUYSPG-AREMUKBSSA-N 0 0 455.558 4.598 20 30 JJEDRN COC(=O)CCN(CC#N)C(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(Cl)cc1)CC2 ZINC001462269378 1068041805 /nfs/dbraw/zinc/04/18/05/1068041805.db2.gz BJUJNOBGUBBWKL-FBMGVBCBSA-N 0 0 459.933 4.904 20 30 JJEDRN CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001546131123 1068060914 /nfs/dbraw/zinc/06/09/14/1068060914.db2.gz PQTXNWOLPUQCPP-FQEVSTJZSA-N 0 0 450.587 4.500 20 30 JJEDRN CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001546131124 1068060955 /nfs/dbraw/zinc/06/09/55/1068060955.db2.gz PQTXNWOLPUQCPP-HXUWFJFHSA-N 0 0 450.587 4.500 20 30 JJEDRN COc1cc(C(=O)Nc2ccc(C3CC3)c(C#N)c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001462466100 1068080296 /nfs/dbraw/zinc/08/02/96/1068080296.db2.gz KYIZRLPXXARVHF-UHFFFAOYSA-N 0 0 450.476 4.640 20 30 JJEDRN C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC001462495617 1068085294 /nfs/dbraw/zinc/08/52/94/1068085294.db2.gz MQRLUHCBNYRWNI-NRFANRHFSA-N 0 0 451.286 4.904 20 30 JJEDRN C#C[C@H]1CC[C@H](NC(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001462566492 1068099397 /nfs/dbraw/zinc/09/93/97/1068099397.db2.gz QDYMHTMKQCCGDK-JOCQHMNTSA-N 0 0 453.402 4.683 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC001462629795 1068117463 /nfs/dbraw/zinc/11/74/63/1068117463.db2.gz XIXZSTVJQRLWMV-QFIPXVFZSA-N 0 0 450.583 4.855 20 30 JJEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC001462694472 1068134104 /nfs/dbraw/zinc/13/41/04/1068134104.db2.gz HZASYUYBIRJHBW-ZDUSSCGKSA-N 0 0 450.409 4.846 20 30 JJEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001462694827 1068134199 /nfs/dbraw/zinc/13/41/99/1068134199.db2.gz JOPHQAWZGXOFJL-UHFFFAOYSA-N 0 0 454.770 4.689 20 30 JJEDRN C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(OC3CC3)cc2)c1 ZINC001462722991 1068142622 /nfs/dbraw/zinc/14/26/22/1068142622.db2.gz NCPLOSIUDATGBP-UHFFFAOYSA-N 0 0 450.512 4.791 20 30 JJEDRN O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001462769956 1068161798 /nfs/dbraw/zinc/16/17/98/1068161798.db2.gz QTDCBIAGAGZEJC-GFCCVEGCSA-N 0 0 450.148 4.854 20 30 JJEDRN O=S(=O)(NCc1ccc(F)cc1C(F)(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC001462828518 1068180135 /nfs/dbraw/zinc/18/01/35/1068180135.db2.gz AVXRONCYBPWIPT-UHFFFAOYSA-N 0 0 451.747 4.875 20 30 JJEDRN CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(CC(F)(F)F)CC2)CCCC1 ZINC001546134425 1068183073 /nfs/dbraw/zinc/18/30/73/1068183073.db2.gz WVAIQGNGFINNON-UHFFFAOYSA-N 0 0 460.548 4.862 20 30 JJEDRN C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462834354 1068183843 /nfs/dbraw/zinc/18/38/43/1068183843.db2.gz SWHPZYDCQDLCII-HNNXBMFYSA-N 0 0 454.939 4.895 20 30 JJEDRN N#CCCc1ccc(NC(=O)c2cc(Br)ccc2I)cc1 ZINC001462851352 1068190080 /nfs/dbraw/zinc/19/00/80/1068190080.db2.gz FXGOCIXWCRHKHA-UHFFFAOYSA-N 0 0 455.093 4.762 20 30 JJEDRN N#Cc1c(Br)cccc1S(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC001462859591 1068193384 /nfs/dbraw/zinc/19/33/84/1068193384.db2.gz GPAFKRPMXNODOT-UHFFFAOYSA-N 0 0 459.287 4.693 20 30 JJEDRN C/C(=C\C(=O)Nc1ccc(C#N)cc1I)c1ccccc1OC(F)F ZINC001462859965 1068193954 /nfs/dbraw/zinc/19/39/54/1068193954.db2.gz CZBJYKDHWXOLLY-DHZHZOJOSA-N 0 0 454.214 4.806 20 30 JJEDRN N#CC[C@H](NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)C(F)(F)F ZINC001462894384 1068205963 /nfs/dbraw/zinc/20/59/63/1068205963.db2.gz XMKLXCKHMDVSDQ-AWEZNQCLSA-N 0 0 450.770 4.608 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCc1cc(Br)ccc1F ZINC001462925213 1068216685 /nfs/dbraw/zinc/21/66/85/1068216685.db2.gz CQJAEGTXWHVOQJ-UHFFFAOYSA-N 0 0 453.358 4.504 20 30 JJEDRN C=CCn1c(SCC(=O)N(Cc2ccccn2)CC(C)C)nnc1-c1ccc(Cl)cc1 ZINC001462934830 1068220854 /nfs/dbraw/zinc/22/08/54/1068220854.db2.gz IXMVERIJRNFINL-UHFFFAOYSA-N 0 0 456.015 4.956 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC001463019459 1068254073 /nfs/dbraw/zinc/25/40/73/1068254073.db2.gz QEPQRKAPNHIOCW-UHFFFAOYSA-N 0 0 456.361 4.835 20 30 JJEDRN CN([C@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccc(CCC#N)cc1 ZINC001463057183 1068268798 /nfs/dbraw/zinc/26/87/98/1068268798.db2.gz YTFHYSNPZILXOU-SFHVURJKSA-N 0 0 451.411 4.763 20 30 JJEDRN N#Cc1ncccc1S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001463072531 1068277254 /nfs/dbraw/zinc/27/72/54/1068277254.db2.gz PUASZSCBRXQHEX-GOSISDBHSA-N 0 0 450.322 4.661 20 30 JJEDRN N#CCc1cccc(S(=O)(=O)NCc2ccc(Br)cc2Oc2ccccc2)c1 ZINC001463072391 1068277400 /nfs/dbraw/zinc/27/74/00/1068277400.db2.gz FYKJVPKFGVPMII-UHFFFAOYSA-N 0 0 457.349 4.786 20 30 JJEDRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NS(=O)(=O)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001463076201 1068279014 /nfs/dbraw/zinc/27/90/14/1068279014.db2.gz RJQVUBFGWUKRAR-JWQCQUIFSA-N 0 0 456.608 4.774 20 30 JJEDRN CN(Cc1cc(C#N)cs1)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001463076501 1068279198 /nfs/dbraw/zinc/27/91/98/1068279198.db2.gz JFNDECGLZSICNZ-UHFFFAOYSA-N 0 0 455.381 4.719 20 30 JJEDRN COC(=O)c1cc(F)ccc1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC001463113661 1068291676 /nfs/dbraw/zinc/29/16/76/1068291676.db2.gz NLIYYLXIYHSFPA-UHFFFAOYSA-N 0 0 458.898 4.533 20 30 JJEDRN O=C(c1cccc(Br)c1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463147837 1068303236 /nfs/dbraw/zinc/30/32/36/1068303236.db2.gz FKZRRORGPMMGSC-UWVGGRQHSA-N 0 0 452.139 4.692 20 30 JJEDRN O=C(c1cccc(Br)c1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463147836 1068303332 /nfs/dbraw/zinc/30/33/32/1068303332.db2.gz FKZRRORGPMMGSC-NXEZZACHSA-N 0 0 452.139 4.692 20 30 JJEDRN O=C(c1cscc1Br)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463154910 1068305615 /nfs/dbraw/zinc/30/56/15/1068305615.db2.gz MHSMNLDELAPPJC-RNFRBKRXSA-N 0 0 458.168 4.754 20 30 JJEDRN Cc1cc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)oc1Br ZINC001463157102 1068306361 /nfs/dbraw/zinc/30/63/61/1068306361.db2.gz WYOOXKQCFFYSQK-BQBZGAKWSA-N 0 0 456.127 4.594 20 30 JJEDRN C=CCOc1ccc(OS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)cc1 ZINC001463189335 1068314691 /nfs/dbraw/zinc/31/46/91/1068314691.db2.gz VQEYWOMCNHRTAU-UHFFFAOYSA-N 0 0 452.351 4.905 20 30 JJEDRN N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001463193649 1068315874 /nfs/dbraw/zinc/31/58/74/1068315874.db2.gz MUBCTBDPGTWANO-UHFFFAOYSA-N 0 0 450.413 4.987 20 30 JJEDRN CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001463252229 1068335536 /nfs/dbraw/zinc/33/55/36/1068335536.db2.gz RGHKUDWSICQMSR-HSZRJFAPSA-N 0 0 455.530 4.961 20 30 JJEDRN C=CC[S@@](=O)(=NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccccc1 ZINC001463271003 1068340346 /nfs/dbraw/zinc/34/03/46/1068340346.db2.gz LVVSWOZMVNNEFT-YTTGMZPUSA-N 0 0 452.507 4.697 20 30 JJEDRN C=CC[S@@](=O)(=NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccccc1 ZINC001463271737 1068340446 /nfs/dbraw/zinc/34/04/46/1068340446.db2.gz PTXVSMXZFVMODT-OLILMLBXSA-N 0 0 453.391 4.606 20 30 JJEDRN C#C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC001463303025 1068350089 /nfs/dbraw/zinc/35/00/89/1068350089.db2.gz ABFIHSIBHRWFOP-XMMPIXPASA-N 0 0 458.583 4.710 20 30 JJEDRN CCc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1 ZINC001463331961 1068359261 /nfs/dbraw/zinc/35/92/61/1068359261.db2.gz VSBXFJBDKWIVIF-AWEZNQCLSA-N 0 0 452.561 4.733 20 30 JJEDRN CN1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)c2cc(Br)ccc21 ZINC001463345281 1068365001 /nfs/dbraw/zinc/36/50/01/1068365001.db2.gz VPQDNIUIWPKOAA-UHFFFAOYSA-N 0 0 452.308 4.589 20 30 JJEDRN C=CCC[C@@H](NS(=O)(=O)c1cccc(C(=O)NCC=C)c1)c1ccc(C(F)(F)F)cc1 ZINC001463379843 1068378120 /nfs/dbraw/zinc/37/81/20/1068378120.db2.gz RXZGIEGFMRUFQR-HXUWFJFHSA-N 0 0 452.498 4.607 20 30 JJEDRN C=CCn1c(SCC(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC001463416830 1068391098 /nfs/dbraw/zinc/39/10/98/1068391098.db2.gz DQGFEUUQABZKEH-VQTJNVASSA-N 0 0 453.011 4.872 20 30 JJEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1cc(Cl)ccc1OC(F)F ZINC001463430365 1068394960 /nfs/dbraw/zinc/39/49/60/1068394960.db2.gz DOVVUPSLLOSFFL-SECBINFHSA-N 0 0 454.804 4.871 20 30 JJEDRN COc1ccccc1-c1csc([C@H]2CCCN(S(=O)(=O)c3cc(C#N)ccc3C)C2)n1 ZINC001463632687 1068476368 /nfs/dbraw/zinc/47/63/68/1068476368.db2.gz LSMVQUXWCDDPEX-SFHVURJKSA-N 0 0 453.589 4.567 20 30 JJEDRN C=CCCc1ccc(S(=O)(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1 ZINC001463682570 1068492444 /nfs/dbraw/zinc/49/24/44/1068492444.db2.gz AXTIKJPPSUDYOL-HSZRJFAPSA-N 0 0 456.608 4.618 20 30 JJEDRN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001463706109 1068501066 /nfs/dbraw/zinc/50/10/66/1068501066.db2.gz HRYBIMBHSCEBKL-UHFFFAOYSA-N 0 0 452.345 4.960 20 30 JJEDRN O=S(=O)(C1=Cc2cc(F)cc(Cl)c2OC1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001463715784 1068503436 /nfs/dbraw/zinc/50/34/36/1068503436.db2.gz YADFSEHYPQSLMH-RISCZKNCSA-N 0 0 467.790 4.747 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N2CCc3ccc(-c4ccccc4)cc3C2)ccc1Br ZINC001463792469 1068525879 /nfs/dbraw/zinc/52/58/79/1068525879.db2.gz WCJRNPFNGILZCA-UHFFFAOYSA-N 0 0 453.361 4.735 20 30 JJEDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001463795100 1068526800 /nfs/dbraw/zinc/52/68/00/1068526800.db2.gz MXRNWHOVKKUPRW-NRFANRHFSA-N 0 0 456.543 4.649 20 30 JJEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 ZINC001463794400 1068526860 /nfs/dbraw/zinc/52/68/60/1068526860.db2.gz JVBLQMGZGADVMZ-QFIPXVFZSA-N 0 0 450.901 4.689 20 30 JJEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC001463796830 1068527421 /nfs/dbraw/zinc/52/74/21/1068527421.db2.gz QZQHGYLCUWIFDW-QFIPXVFZSA-N 0 0 458.543 4.769 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CC1 ZINC001463825868 1068537772 /nfs/dbraw/zinc/53/77/72/1068537772.db2.gz LXYMFZWTQQUCHK-UHFFFAOYSA-N 0 0 450.564 4.652 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC001463831006 1068539822 /nfs/dbraw/zinc/53/98/22/1068539822.db2.gz FZGMHSCIYUXDOL-FQEVSTJZSA-N 0 0 459.468 4.728 20 30 JJEDRN N#Cc1ccc(CN2CCCN(C(=O)CCC(=O)c3cc(Cl)sc3Cl)CC2)cc1 ZINC001463839700 1068543820 /nfs/dbraw/zinc/54/38/20/1068543820.db2.gz XXAOOCHHGJKGJO-UHFFFAOYSA-N 0 0 450.391 4.624 20 30 JJEDRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#Cc1ccccc1 ZINC001463880482 1068554495 /nfs/dbraw/zinc/55/44/95/1068554495.db2.gz NXOPNTAWCXSOLB-GDLZYMKVSA-N 0 0 452.554 4.862 20 30 JJEDRN COCCN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC001463898706 1068559391 /nfs/dbraw/zinc/55/93/91/1068559391.db2.gz BQPAJVPZQRUQCY-UHFFFAOYSA-N 0 0 452.960 4.711 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)c2)c1 ZINC001463899493 1068559991 /nfs/dbraw/zinc/55/99/91/1068559991.db2.gz QHMOCDDSDHJJKP-XUZZJYLKSA-N 0 0 476.573 4.895 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc4c([nH]c3=O)CCC(C)(C)C4)c2)c1 ZINC001463899910 1068560068 /nfs/dbraw/zinc/56/00/68/1068560068.db2.gz TWNABEVWPAURSN-UHFFFAOYSA-N 0 0 454.526 4.741 20 30 JJEDRN N#Cc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463902929 1068560446 /nfs/dbraw/zinc/56/04/46/1068560446.db2.gz GENVKTLWYXQWOM-QGZVFWFLSA-N 0 0 459.287 4.695 20 30 JJEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2cccs2)c2ccc(CCC)cc2)c1 ZINC001463912383 1068563711 /nfs/dbraw/zinc/56/37/11/1068563711.db2.gz OQDYVIMBUWZVKJ-QHCPKHFHSA-N 0 0 454.617 4.684 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(F)(F)F ZINC001463945234 1068571732 /nfs/dbraw/zinc/57/17/32/1068571732.db2.gz UZKUBFSYTLZZHZ-LJQANCHMSA-N 0 0 452.860 4.715 20 30 JJEDRN N#C[C@@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Br)cc1 ZINC001464017897 1068590677 /nfs/dbraw/zinc/59/06/77/1068590677.db2.gz NISNYLYPSGAVRZ-MAUKXSAKSA-N 0 0 455.381 4.656 20 30 JJEDRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC001464035412 1068595216 /nfs/dbraw/zinc/59/52/16/1068595216.db2.gz SEOPOSVDSISBFR-NRFANRHFSA-N 0 0 452.498 4.578 20 30 JJEDRN Cc1cnn(-c2cc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(N)cc2F)c1 ZINC001464091774 1068612084 /nfs/dbraw/zinc/61/20/84/1068612084.db2.gz NIKLRLAMFNXGRT-QWRGUYRKSA-N 0 0 452.374 4.541 20 30 JJEDRN CN(CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(C(F)(F)F)cc1C=O ZINC001464094861 1068612764 /nfs/dbraw/zinc/61/27/64/1068612764.db2.gz KEUDWNULLNGQSM-UHFFFAOYSA-N 0 0 454.408 4.652 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N2CC3(CC3)c3ccc(Br)cc32)ccc1C(F)(F)F ZINC001464116562 1068620624 /nfs/dbraw/zinc/62/06/24/1068620624.db2.gz QEDBFVIYSACYSP-UHFFFAOYSA-N 0 0 457.271 4.580 20 30 JJEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)c3ncc(C=O)n3c2)cc1 ZINC001464133568 1068628668 /nfs/dbraw/zinc/62/86/68/1068628668.db2.gz CRZPSGGJAHTXIF-FQEVSTJZSA-N 0 0 459.303 4.817 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)ccc1Cl ZINC001464140470 1068631783 /nfs/dbraw/zinc/63/17/83/1068631783.db2.gz FDHPBBYEWRNXAZ-OAHLLOKOSA-N 0 0 457.802 4.529 20 30 JJEDRN N#Cc1cc(F)c(OS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c(Br)c1 ZINC001464148823 1068633890 /nfs/dbraw/zinc/63/38/90/1068633890.db2.gz PBZZVXZEIOBGNE-UHFFFAOYSA-N 0 0 458.614 4.900 20 30 JJEDRN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001464229362 1068666541 /nfs/dbraw/zinc/66/65/41/1068666541.db2.gz IJTOOQNYIOQMEY-ZDUSSCGKSA-N 0 0 454.733 4.747 20 30 JJEDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC001464318093 1068703774 /nfs/dbraw/zinc/70/37/74/1068703774.db2.gz INFLMLRIJMPDJR-UHFFFAOYSA-N 0 0 452.580 4.535 20 30 JJEDRN C=CCC[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)c1ccccc1 ZINC001464323364 1068705870 /nfs/dbraw/zinc/70/58/70/1068705870.db2.gz VNVDUHULAYXKDV-FQEVSTJZSA-N 0 0 456.384 4.771 20 30 JJEDRN N#Cc1cc(Cl)c(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c(Cl)c1 ZINC001464374207 1068723130 /nfs/dbraw/zinc/72/31/30/1068723130.db2.gz NRIYYSYSLLLADL-UHFFFAOYSA-N 0 0 457.144 4.770 20 30 JJEDRN CC1(C)[C@@H](c2ccccc2Cl)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC001464391298 1068728794 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N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)C2)c1 ZINC001165002971 722258395 /nfs/dbraw/zinc/25/83/95/722258395.db2.gz ANUBRGQDXKPBJG-JOCHJYFZSA-N 0 0 492.357 4.800 20 30 JJEDRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007896 722273521 /nfs/dbraw/zinc/27/35/21/722273521.db2.gz GPYGJBNZZCNWOV-JRQSSSKMSA-N 0 0 496.345 4.603 20 30 JJEDRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C1 ZINC001359729039 1064277904 /nfs/dbraw/zinc/27/79/04/1064277904.db2.gz QYLDNWJERDKPBA-LJQANCHMSA-N 0 0 465.399 4.895 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1coc(-c2ccc(C)cc2)n1 ZINC001545874046 1064289705 /nfs/dbraw/zinc/28/97/05/1064289705.db2.gz HJDRPRYFFKQIFX-UHFFFAOYSA-N 0 0 489.624 4.533 20 30 JJEDRN CC(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCN(CC(F)(F)F)CC2)C1 ZINC001359739853 1064308577 /nfs/dbraw/zinc/30/85/77/1064308577.db2.gz GVJZKPCNPRZNBC-JOCHJYFZSA-N 0 0 474.575 4.963 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC001434876481 1064310193 /nfs/dbraw/zinc/31/01/93/1064310193.db2.gz NXWYKISGVNVKJF-AFMDSPMNSA-N 0 0 463.534 4.563 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001359745228 1064318011 /nfs/dbraw/zinc/31/80/11/1064318011.db2.gz CWMIUXOGZQXEDP-KRWDZBQOSA-N 0 0 490.555 4.929 20 30 JJEDRN CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CCCCC2)C1 ZINC001359745326 1064318754 /nfs/dbraw/zinc/31/87/54/1064318754.db2.gz GKZOMONMOXEOEV-HFZDXXHNSA-N 0 0 451.615 4.542 20 30 JJEDRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001359745565 1064319842 /nfs/dbraw/zinc/31/98/42/1064319842.db2.gz MCHKOORYKUKVJJ-OAQYLSRUSA-N 0 0 494.640 4.611 20 30 JJEDRN CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)CCO1 ZINC001359754731 1064345656 /nfs/dbraw/zinc/34/56/56/1064345656.db2.gz KXYOVWKVOLUCEO-RBBKRZOGSA-N 0 0 473.568 4.806 20 30 JJEDRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@H]2C)CCS1 ZINC001359755353 1064347920 /nfs/dbraw/zinc/34/79/20/1064347920.db2.gz YJXPXWJVWDWNCD-QDSKXPNFSA-N 0 0 483.682 4.902 20 30 JJEDRN CCOC(=O)Cn1ccc2cc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)ccc21 ZINC001434924150 1064352867 /nfs/dbraw/zinc/35/28/67/1064352867.db2.gz JUWVQNQOQQPMEO-UHFFFAOYSA-N 0 0 453.498 4.907 20 30 JJEDRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001359759657 1064364713 /nfs/dbraw/zinc/36/47/13/1064364713.db2.gz KMZPSEJISZUGHP-BUKVSMQUSA-N 0 0 464.010 4.727 20 30 JJEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N ZINC001359760301 1064367826 /nfs/dbraw/zinc/36/78/26/1064367826.db2.gz RTMWTJPAJOUYRU-HQRMLTQVSA-N 0 0 460.420 4.897 20 30 JJEDRN COc1ccc(-c2nc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)n[nH]2)c(OC)c1 ZINC001434949531 1064370402 /nfs/dbraw/zinc/37/04/02/1064370402.db2.gz ZKDAVRSTBZQVSD-UHFFFAOYSA-N 0 0 455.474 4.714 20 30 JJEDRN CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359763183 1064378774 /nfs/dbraw/zinc/37/87/74/1064378774.db2.gz GQQFDXKDIJJMCQ-VTZPFEBOSA-N 0 0 451.615 4.805 20 30 JJEDRN C=CCOc1ccc(/C=C/C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)cc1OC ZINC001434964604 1064379564 /nfs/dbraw/zinc/37/95/64/1064379564.db2.gz YYFPPCCQKHTZTE-WYMLVPIESA-N 0 0 452.551 4.614 20 30 JJEDRN N#Cc1ccccc1N1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001434973872 1064388982 /nfs/dbraw/zinc/38/89/82/1064388982.db2.gz CQSJAPPZWVCKBN-AATRIKPKSA-N 0 0 453.386 4.958 20 30 JJEDRN CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC001434977455 1064393803 /nfs/dbraw/zinc/39/38/03/1064393803.db2.gz YETAHVZLGSOWRL-UHFFFAOYSA-N 0 0 450.516 4.577 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001434995625 1064409885 /nfs/dbraw/zinc/40/98/85/1064409885.db2.gz JSXLNCNPHFFKMG-OAQYLSRUSA-N 0 0 455.368 4.750 20 30 JJEDRN CC(C)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001359773239 1064410787 /nfs/dbraw/zinc/41/07/87/1064410787.db2.gz IYRUEILMLGUFSQ-UHFFFAOYSA-N 0 0 464.614 4.700 20 30 JJEDRN CC(C)CC1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001359774577 1064415424 /nfs/dbraw/zinc/41/54/24/1064415424.db2.gz XSSCLKBWNWAJEF-KRWDZBQOSA-N 0 0 464.397 4.719 20 30 JJEDRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@H]1c1cccnc1 ZINC001435014961 1064432602 /nfs/dbraw/zinc/43/26/02/1064432602.db2.gz PTBNJIKVNGYFQF-SQJMNOBHSA-N 0 0 474.948 4.734 20 30 JJEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001435022072 1064440242 /nfs/dbraw/zinc/44/02/42/1064440242.db2.gz GEDTUCFFZNYQAV-UHFFFAOYSA-N 0 0 457.246 4.508 20 30 JJEDRN N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)cc2)c1 ZINC001435022763 1064440364 /nfs/dbraw/zinc/44/03/64/1064440364.db2.gz BFOYPFJMIFBICW-UHFFFAOYSA-N 0 0 453.458 4.543 20 30 JJEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC001435023540 1064441213 /nfs/dbraw/zinc/44/12/13/1064441213.db2.gz SRGZUVZOSUHABR-UHFFFAOYSA-N 0 0 456.365 4.733 20 30 JJEDRN Cn1cc(C(=O)Nc2cccc(OC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)cn1 ZINC001435029194 1064446570 /nfs/dbraw/zinc/44/65/70/1064446570.db2.gz AZGGDJJZGBFPIF-UHFFFAOYSA-N 0 0 452.470 4.750 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCN1C(=O)CCc2cc(F)ccc21 ZINC001359797356 1064458962 /nfs/dbraw/zinc/45/89/62/1064458962.db2.gz BMXRRXVPYTYOKD-UHFFFAOYSA-N 0 0 457.505 4.893 20 30 JJEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001359797428 1064459769 /nfs/dbraw/zinc/45/97/69/1064459769.db2.gz DDJGDQWSJOXBGB-UHFFFAOYSA-N 0 0 459.506 4.835 20 30 JJEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001359817938 1064501216 /nfs/dbraw/zinc/50/12/16/1064501216.db2.gz OZRLJWZOPANPSJ-PMACEKPBSA-N 0 0 451.615 4.600 20 30 JJEDRN CC(C)Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCCN(C)CC(F)(F)F ZINC001359831132 1064514359 /nfs/dbraw/zinc/51/43/59/1064514359.db2.gz XTVWOZGDIHFHGL-JOCHJYFZSA-N 0 0 476.591 4.692 20 30 JJEDRN O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001435115873 1064523507 /nfs/dbraw/zinc/52/35/07/1064523507.db2.gz JSVNJMILZMRQHG-NSHDSACASA-N 0 0 451.342 4.855 20 30 JJEDRN CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001359859152 1064546962 /nfs/dbraw/zinc/54/69/62/1064546962.db2.gz WSNFAYMTYUUVBS-PXDATVDWSA-N 0 0 458.949 4.598 20 30 JJEDRN CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359859584 1064547636 /nfs/dbraw/zinc/54/76/36/1064547636.db2.gz ABKUTRRWXDYRBE-YADHBBJMSA-N 0 0 474.575 4.964 20 30 JJEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1 ZINC001435149926 1064549854 /nfs/dbraw/zinc/54/98/54/1064549854.db2.gz LLTPRNSXZLWCLU-JOCHJYFZSA-N 0 0 458.949 4.692 20 30 JJEDRN C#CC[C@@]1(C(=O)Oc2ccc(-c3noc(CCCC)n3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001435151157 1064551058 /nfs/dbraw/zinc/55/10/58/1064551058.db2.gz YQHKLNDVPVOXNO-VWLOTQADSA-N 0 0 453.539 4.778 20 30 JJEDRN C#Cc1cccc(N(Cc2ccccc2)C(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)c1 ZINC001359863595 1064553566 /nfs/dbraw/zinc/55/35/66/1064553566.db2.gz NXICCTNEYFLQFQ-QHCPKHFHSA-N 0 0 450.604 4.944 20 30 JJEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001435162131 1064558014 /nfs/dbraw/zinc/55/80/14/1064558014.db2.gz JJCLLDDMBQMZPF-KRWDZBQOSA-N 0 0 457.353 4.881 20 30 JJEDRN C#CCN(C(=O)Cc1cccc(OC/C=C/C)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435175983 1064569412 /nfs/dbraw/zinc/56/94/12/1064569412.db2.gz PDSGUVOFTABTJE-WTCGPSRQSA-N 0 0 454.364 4.932 20 30 JJEDRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359880448 1064573920 /nfs/dbraw/zinc/57/39/20/1064573920.db2.gz GLTMIXDQLRNJEY-FQEVSTJZSA-N 0 0 452.603 4.556 20 30 JJEDRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001435195372 1064583833 /nfs/dbraw/zinc/58/38/33/1064583833.db2.gz OTMNACNJVFIYTC-UHFFFAOYSA-N 0 0 457.490 4.798 20 30 JJEDRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001359891257 1064591484 /nfs/dbraw/zinc/59/14/84/1064591484.db2.gz PPDUZRVFDDGSHR-QPPBQGQZSA-N 0 0 457.569 4.876 20 30 JJEDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001359891260 1064591690 /nfs/dbraw/zinc/59/16/90/1064591690.db2.gz PPDUZRVFDDGSHR-ZJSXRUAMSA-N 0 0 457.569 4.876 20 30 JJEDRN N#Cc1ccc(-c2cccc(CNC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)c2)s1 ZINC001435235177 1064615784 /nfs/dbraw/zinc/61/57/84/1064615784.db2.gz ALLQPZIBVMJKDM-UHFFFAOYSA-N 0 0 457.599 4.774 20 30 JJEDRN CC(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001359903795 1064617982 /nfs/dbraw/zinc/61/79/82/1064617982.db2.gz CUHIHHHVJHJNGR-UHFFFAOYSA-N 0 0 452.603 4.746 20 30 JJEDRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1ccccc1Oc1ccccc1C#N ZINC001435252701 1064629172 /nfs/dbraw/zinc/62/91/72/1064629172.db2.gz BVPUXKTWKNTRSV-UHFFFAOYSA-N 0 0 452.413 4.953 20 30 JJEDRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001435264111 1064640934 /nfs/dbraw/zinc/64/09/34/1064640934.db2.gz HAMVRPIQIDLKOE-HOYKHHGWSA-N 0 0 454.530 4.684 20 30 JJEDRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001435264306 1064640957 /nfs/dbraw/zinc/64/09/57/1064640957.db2.gz IJICZFSQBHSEEW-HNNXBMFYSA-N 0 0 457.515 4.655 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCO1 ZINC001359926047 1064657244 /nfs/dbraw/zinc/65/72/44/1064657244.db2.gz AMZFSEJNRGFKAL-QGZVFWFLSA-N 0 0 464.383 4.792 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2c(c1)COC2 ZINC001359926174 1064657937 /nfs/dbraw/zinc/65/79/37/1064657937.db2.gz FFKGOXKYBIOVMC-UHFFFAOYSA-N 0 0 497.441 4.891 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(O)cc1 ZINC001359926355 1064658026 /nfs/dbraw/zinc/65/80/26/1064658026.db2.gz LPYFPVCITFJLNQ-UHFFFAOYSA-N 0 0 485.430 4.761 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc2c(c1)CCO2 ZINC001359926629 1064659491 /nfs/dbraw/zinc/65/94/91/1064659491.db2.gz VWCRJXIOKNPACJ-UHFFFAOYSA-N 0 0 497.441 4.979 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCC(C)CC2)nc1 ZINC001359926804 1064660436 /nfs/dbraw/zinc/66/04/36/1064660436.db2.gz CGPVDQFPOLTBFY-UHFFFAOYSA-N 0 0 460.630 4.719 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Br)s2)n1CC1([S@](C)=O)CCC1 ZINC001359926885 1064661018 /nfs/dbraw/zinc/66/10/18/1064661018.db2.gz FYVGJTXEYKYWJV-LJAQVGFWSA-N 0 0 498.516 4.836 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCO[C@@H]1C ZINC001359927086 1064662506 /nfs/dbraw/zinc/66/25/06/1064662506.db2.gz NJLZGIXGVSOQBP-OPAMFIHVSA-N 0 0 466.413 4.558 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCO[C@@H]1C ZINC001359927087 1064662527 /nfs/dbraw/zinc/66/25/27/1064662527.db2.gz NJLZGIXGVSOQBP-ZHRRBRCNSA-N 0 0 466.413 4.558 20 30 JJEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001359927340 1064662999 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CC(C)CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360076281 1064925037 /nfs/dbraw/zinc/92/50/37/1064925037.db2.gz KRXDDVGNZFDPDY-KNQAVFIVSA-N 0 0 498.697 4.945 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)nnc1-c1ccco1 ZINC001435677981 1064929256 /nfs/dbraw/zinc/92/92/56/1064929256.db2.gz XDHSOFNHVUVCLA-KRWDZBQOSA-N 0 0 458.971 4.890 20 30 JJEDRN CC(C)CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001360079633 1064934529 /nfs/dbraw/zinc/93/45/29/1064934529.db2.gz LVFMNQHFMHXOGP-XLIONFOSSA-N 0 0 497.587 4.664 20 30 JJEDRN CC(C)CSCCn1c(-c2cccn2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001360082943 1064943485 /nfs/dbraw/zinc/94/34/85/1064943485.db2.gz QTAMYVWQRPGUPP-UHFFFAOYSA-N 0 0 464.639 4.592 20 30 JJEDRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)CC1 ZINC001360088989 1064955327 /nfs/dbraw/zinc/95/53/27/1064955327.db2.gz GAXDNPYEKCMKNY-UHFFFAOYSA-N 0 0 490.677 4.939 20 30 JJEDRN 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Cc1cc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)nn1CCCOc1ccc(F)cc1 ZINC001435770846 1064985301 /nfs/dbraw/zinc/98/53/01/1064985301.db2.gz YARMHEMSDQKFTQ-DEOSSOPVSA-N 0 0 450.514 4.714 20 30 JJEDRN C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(OC(F)F)c1 ZINC001435789108 1064992545 /nfs/dbraw/zinc/99/25/45/1064992545.db2.gz OJYDSMNGFSQQTA-CQSZACIVSA-N 0 0 457.433 4.928 20 30 JJEDRN N#Cc1ccc(OC2CCC(NC(=O)/C(F)=C\c3ccc(F)c(C(F)(F)F)c3)CC2)nc1 ZINC001545893384 1064992588 /nfs/dbraw/zinc/99/25/88/1064992588.db2.gz XLAUCQYKQGWAFX-VXLYETTFSA-N 0 0 451.395 4.928 20 30 JJEDRN N#C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(Cl)cccc1Cl ZINC001435802314 1064999453 /nfs/dbraw/zinc/99/94/53/1064999453.db2.gz IQMHFEQVTBLZSH-KDOFPFPSSA-N 0 0 450.753 4.880 20 30 JJEDRN N#C[C@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1cccc(C(F)(F)F)c1 ZINC001435805987 1065001641 /nfs/dbraw/zinc/00/16/41/1065001641.db2.gz AKQQSDMCTYMOCT-IFXJQAMLSA-N 0 0 451.857 4.669 20 30 JJEDRN 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ZINC001435836806 1065016539 /nfs/dbraw/zinc/01/65/39/1065016539.db2.gz NOACGUIPQIBVAY-UHFFFAOYSA-N 0 0 455.283 4.830 20 30 JJEDRN C=CCOc1ccc(COC(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)cc1 ZINC001435843668 1065019996 /nfs/dbraw/zinc/01/99/96/1065019996.db2.gz SBUOPIGNVIGBQW-UHFFFAOYSA-N 0 0 451.544 4.824 20 30 JJEDRN O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360127348 1065021174 /nfs/dbraw/zinc/02/11/74/1065021174.db2.gz SJPKGINMKPSGCT-UHFFFAOYSA-N 0 0 453.333 4.596 20 30 JJEDRN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001435858631 1065028786 /nfs/dbraw/zinc/02/87/86/1065028786.db2.gz HOEFJDWGCAXXNE-KDYSTLNUSA-N 0 0 451.570 4.884 20 30 JJEDRN COC(=O)COc1ccc(N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 ZINC001435863807 1065030977 /nfs/dbraw/zinc/03/09/77/1065030977.db2.gz XFSBXRCMEQMSRK-UHFFFAOYSA-N 0 0 450.878 4.832 20 30 JJEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(I)c(Cl)c1 ZINC001435884286 1065043931 /nfs/dbraw/zinc/04/39/31/1065043931.db2.gz LVLYBPZUNWWDHG-UHFFFAOYSA-N 0 0 455.679 4.717 20 30 JJEDRN O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001435897031 1065050967 /nfs/dbraw/zinc/05/09/67/1065050967.db2.gz AAJKOPCFZRQDAH-NXEZZACHSA-N 0 0 450.306 4.880 20 30 JJEDRN Cc1cc(C(=O)Nc2ccccc2SCCC#N)cc(C)c1OCC(=O)N1CCCCC1 ZINC001360150994 1065055181 /nfs/dbraw/zinc/05/51/81/1065055181.db2.gz PMRIWBVZSUZKQB-UHFFFAOYSA-N 0 0 451.592 4.953 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccccc1C(F)(F)F ZINC001545894519 1065084393 /nfs/dbraw/zinc/08/43/93/1065084393.db2.gz XYZYFZZILFCDKF-HSZRJFAPSA-N 0 0 476.547 4.588 20 30 JJEDRN Cc1nc(SCC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)c(C#N)c(C)c1C ZINC001435971220 1065086859 /nfs/dbraw/zinc/08/68/59/1065086859.db2.gz TZEBZIHWUMQTQP-UHFFFAOYSA-N 0 0 452.580 4.907 20 30 JJEDRN Cc1cccc2c1ncn(CCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)c2=O ZINC001360224210 1065087748 /nfs/dbraw/zinc/08/77/48/1065087748.db2.gz CTDRKUPTGXUTPX-UHFFFAOYSA-N 0 0 456.933 4.854 20 30 JJEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 ZINC001360225145 1065088090 /nfs/dbraw/zinc/08/80/90/1065088090.db2.gz NVOJNFYQKOWISO-UHFFFAOYSA-N 0 0 454.917 4.664 20 30 JJEDRN COc1cc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c([N+](=O)[O-])cc1OC ZINC001360225573 1065088665 /nfs/dbraw/zinc/08/86/65/1065088665.db2.gz UNILEJJAYPXTEH-UHFFFAOYSA-N 0 0 451.866 4.984 20 30 JJEDRN CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360231969 1065092469 /nfs/dbraw/zinc/09/24/69/1065092469.db2.gz VZBHZOMEXSCPFL-MHECFPHRSA-N 0 0 451.998 4.837 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C(C)(C)C1 ZINC001436044686 1065139339 /nfs/dbraw/zinc/13/93/39/1065139339.db2.gz UHGPDLRXMYOKIB-HXUWFJFHSA-N 0 0 450.539 4.511 20 30 JJEDRN C=CCC1(C(=O)NC[C@H]2CCCN2Cc2ccc(I)cc2)CCCC1 ZINC001436048054 1065142573 /nfs/dbraw/zinc/14/25/73/1065142573.db2.gz OGGUBFOKKOCYEG-LJQANCHMSA-N 0 0 452.380 4.508 20 30 JJEDRN C#CCN(C(=O)c1cnc(-c2cccnc2)s1)[C@H]1CCOc2ccc(Br)cc21 ZINC001360311323 1065148524 /nfs/dbraw/zinc/14/85/24/1065148524.db2.gz SSGAEXLDOMOBSG-KRWDZBQOSA-N 0 0 454.349 4.567 20 30 JJEDRN C#CC[C@]1(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CCCN1C(=O)OC(C)(C)C ZINC001436061350 1065152647 /nfs/dbraw/zinc/15/26/47/1065152647.db2.gz FACGYJBLAINWGP-XMMPIXPASA-N 0 0 457.477 4.884 20 30 JJEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC001436071965 1065160193 /nfs/dbraw/zinc/16/01/93/1065160193.db2.gz NDFVYJRQTRWMHD-NQIIRXRSSA-N 0 0 457.368 4.721 20 30 JJEDRN C=C[C@@H](CC(=O)NCc1cc(Cl)c(I)cc1OC)c1ccccc1 ZINC001436073961 1065162345 /nfs/dbraw/zinc/16/23/45/1065162345.db2.gz QQCGGGLFQGYVBB-ZDUSSCGKSA-N 0 0 455.723 4.929 20 30 JJEDRN CC[C@H](C#N)Oc1cc(CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)ccc1OC ZINC001360351710 1065198497 /nfs/dbraw/zinc/19/84/97/1065198497.db2.gz SAFJTKVYDFDXKT-MRXNPFEDSA-N 0 0 459.333 4.799 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)ccc1OC ZINC001360355346 1065204693 /nfs/dbraw/zinc/20/46/93/1065204693.db2.gz SLEMWECTMXUOHJ-IBGZPJMESA-N 0 0 453.539 4.962 20 30 JJEDRN N#Cc1ccc(OCC(=O)OCc2cc(Br)c(Cl)c(Br)c2)cc1 ZINC001436140058 1065210364 /nfs/dbraw/zinc/21/03/64/1065210364.db2.gz CDGMNNSCPGDNGO-UHFFFAOYSA-N 0 0 459.521 4.859 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC001436151830 1065217026 /nfs/dbraw/zinc/21/70/26/1065217026.db2.gz VHIITYVURVMKMX-GOSISDBHSA-N 0 0 457.368 4.731 20 30 JJEDRN CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCCCC2)CC1 ZINC001360364240 1065221503 /nfs/dbraw/zinc/22/15/03/1065221503.db2.gz LZKJQNATSIMHSP-UHFFFAOYSA-N 0 0 451.615 4.950 20 30 JJEDRN COC1(CNC(=O)COc2cccc(Br)c2C#N)CCC(c2ccccc2)CC1 ZINC001436177745 1065230801 /nfs/dbraw/zinc/23/08/01/1065230801.db2.gz MGJOTMUQKZYTGA-UHFFFAOYSA-N 0 0 457.368 4.559 20 30 JJEDRN CC(C)OCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001360379532 1065240478 /nfs/dbraw/zinc/24/04/78/1065240478.db2.gz ANIWJVCRVCRWAA-JWQCQUIFSA-N 0 0 465.642 4.708 20 30 JJEDRN CC(=O)N[C@H](CC(=O)OCc1ccccc1Oc1ccccc1C#N)c1c(F)cccc1F ZINC001436240524 1065272541 /nfs/dbraw/zinc/27/25/41/1065272541.db2.gz YUNMGJYASXVWJX-OAQYLSRUSA-N 0 0 450.441 4.939 20 30 JJEDRN CC(C)SCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360417674 1065282162 /nfs/dbraw/zinc/28/21/62/1065282162.db2.gz ZUJBEMYCILAXJZ-UHFFFAOYSA-N 0 0 460.401 4.950 20 30 JJEDRN Cc1cc(Cl)cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1Br ZINC001436302172 1065292092 /nfs/dbraw/zinc/29/20/92/1065292092.db2.gz QMJAPQCCCXPBPV-UHFFFAOYSA-N 0 0 455.761 4.741 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(C(=O)OCc2cn(CCc3ccccn3)nn2)cc1Cl ZINC001436313090 1065295167 /nfs/dbraw/zinc/29/51/67/1065295167.db2.gz KIOMVUGAAWYYJY-UHFFFAOYSA-N 0 0 459.893 4.590 20 30 JJEDRN CC(C)[C@@H]1C[C@H]1n1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001360425737 1065295634 /nfs/dbraw/zinc/29/56/34/1065295634.db2.gz QDVQMMXOIIXQAM-VQTJNVASSA-N 0 0 456.635 4.740 20 30 JJEDRN C=CCn1c(SCC(=O)Nc2cccc3nccn32)nnc1-c1ccc(Cl)cc1Cl ZINC001360441471 1065325701 /nfs/dbraw/zinc/32/57/01/1065325701.db2.gz NAWLRZYSJVEXEM-UHFFFAOYSA-N 0 0 459.362 4.816 20 30 JJEDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 ZINC001360442870 1065328676 /nfs/dbraw/zinc/32/86/76/1065328676.db2.gz USGYHPNURBUGJT-YRMJPHONSA-N 0 0 495.649 4.644 20 30 JJEDRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC001436481375 1065330453 /nfs/dbraw/zinc/33/04/53/1065330453.db2.gz DMVUKYTZIQGTBH-QINHECLXSA-N 0 0 455.580 4.576 20 30 JJEDRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC001436484270 1065331136 /nfs/dbraw/zinc/33/11/36/1065331136.db2.gz RBAYRBYCBVWXLR-DZGCQCFKSA-N 0 0 459.637 4.943 20 30 JJEDRN COc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)cc1 ZINC001436485434 1065332014 /nfs/dbraw/zinc/33/20/14/1065332014.db2.gz VAMMMLAIKKGKFY-UONOGXRCSA-N 0 0 453.593 4.626 20 30 JJEDRN CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)sc2C1 ZINC001436526123 1065343845 /nfs/dbraw/zinc/34/38/45/1065343845.db2.gz RZQUQPZZJNQYCF-RTBURBONSA-N 0 0 451.592 4.978 20 30 JJEDRN C[C@@H]1CCc2sc(NC(=O)c3cnn(-c4ccc(Br)cc4)n3)c(C#N)c2[C@@H]1C ZINC001436546233 1065353798 /nfs/dbraw/zinc/35/37/98/1065353798.db2.gz JLEOPEKFVXUCDP-VXGBXAGGSA-N 0 0 456.369 4.901 20 30 JJEDRN COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 ZINC001436547040 1065354295 /nfs/dbraw/zinc/35/42/95/1065354295.db2.gz POONYNDENSLTBE-HOTGVXAUSA-N 0 0 450.564 4.769 20 30 JJEDRN Cc1cc(NC(=O)c2ccc(SC(F)(F)F)nc2)c(C(=O)NCC(F)(F)F)cc1F ZINC001436547730 1065355050 /nfs/dbraw/zinc/35/50/50/1065355050.db2.gz FVUWGOQZYITXCE-UHFFFAOYSA-N 0 0 455.355 4.685 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC001436554853 1065359132 /nfs/dbraw/zinc/35/91/32/1065359132.db2.gz MOKIHSVKGLGLTI-SFHVURJKSA-N 0 0 450.530 4.871 20 30 JJEDRN CCc1ccc([C@H](C#N)NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC001436556372 1065360807 /nfs/dbraw/zinc/36/08/07/1065360807.db2.gz OAXSHSLHJXCLLM-IBGZPJMESA-N 0 0 450.892 4.914 20 30 JJEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001436558498 1065361311 /nfs/dbraw/zinc/36/13/11/1065361311.db2.gz BVJSPBUXPQXRJR-UHFFFAOYSA-N 0 0 457.246 4.508 20 30 JJEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001436559856 1065362656 /nfs/dbraw/zinc/36/26/56/1065362656.db2.gz MKHCJKUEFYIXJQ-QHCPKHFHSA-N 0 0 451.567 4.579 20 30 JJEDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360460861 1065363887 /nfs/dbraw/zinc/36/38/87/1065363887.db2.gz IWOITJAMMUSVGF-HNNXBMFYSA-N 0 0 498.538 4.997 20 30 JJEDRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)c2ccccc21 ZINC001436571607 1065372058 /nfs/dbraw/zinc/37/20/58/1065372058.db2.gz BJAMMFKQKZVXRL-UHFFFAOYSA-N 0 0 456.340 4.652 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCCCCC1 ZINC001360469359 1065384791 /nfs/dbraw/zinc/38/47/91/1065384791.db2.gz BFNXAHLKOMHPBG-HNNXBMFYSA-N 0 0 464.383 4.670 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCOc1ccccc1Cl ZINC001360469650 1065385515 /nfs/dbraw/zinc/38/55/15/1065385515.db2.gz FYFRIAGDPGSHCY-AWEZNQCLSA-N 0 0 477.794 4.517 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)NC1CCCCC1 ZINC001360469622 1065385548 /nfs/dbraw/zinc/38/55/48/1065385548.db2.gz FSOGHAXYJVXUGA-CQSZACIVSA-N 0 0 493.837 4.548 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc2c(c1)CCCN2C ZINC001360470085 1065386785 /nfs/dbraw/zinc/38/67/85/1065386785.db2.gz LJKHQVXMZDTBNW-HNNXBMFYSA-N 0 0 485.455 4.938 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001360470675 1065388875 /nfs/dbraw/zinc/38/88/75/1065388875.db2.gz SVLXCTMMBBSBLC-RFWXGWTQSA-N 0 0 461.614 4.915 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOc1ncccc1F ZINC001360470862 1065389851 /nfs/dbraw/zinc/38/98/51/1065389851.db2.gz WEODHVRIJDRCAR-ZDUSSCGKSA-N 0 0 493.768 4.712 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1C(F)(F)F ZINC001360470857 1065389873 /nfs/dbraw/zinc/38/98/73/1065389873.db2.gz WDUBWVBFMBXRHE-GFCCVEGCSA-N 0 0 467.293 4.841 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN(C)CC(F)(F)F ZINC001360470978 1065390404 /nfs/dbraw/zinc/39/04/04/1065390404.db2.gz YMXFQVGLEOBYEG-MRXNPFEDSA-N 0 0 468.593 4.898 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1C[C@](C)(O)C1CCCCC1 ZINC001360471231 1065390865 /nfs/dbraw/zinc/39/08/65/1065390865.db2.gz DNBOILCSZAAYDY-AOMKIAJQSA-N 0 0 460.420 4.777 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCC1CCOCC1 ZINC001360471094 1065391010 /nfs/dbraw/zinc/39/10/10/1065391010.db2.gz ASBUEKUYJHNYGI-OAHLLOKOSA-N 0 0 464.383 4.792 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001360471623 1065391584 /nfs/dbraw/zinc/39/15/84/1065391584.db2.gz LCYHMXMTYHOCAW-INIZCTEOSA-N 0 0 475.940 4.625 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nnc(C(C)(C)C)s1 ZINC001360474444 1065394079 /nfs/dbraw/zinc/39/40/79/1065394079.db2.gz OFZMLTUUISHQQA-OAHLLOKOSA-N 0 0 462.583 4.536 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1Oc1cccc(F)c1 ZINC001360475470 1065394541 /nfs/dbraw/zinc/39/45/41/1065394541.db2.gz AXXZIINBQKQCAZ-UWJYYQICSA-N 0 0 450.518 4.633 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccccn1 ZINC001360477261 1065395133 /nfs/dbraw/zinc/39/51/33/1065395133.db2.gz XRHWWQIYLFRWTP-WOJBJXKFSA-N 0 0 481.645 4.504 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCNc1ncc(Cl)cc1Cl ZINC001360480573 1065399157 /nfs/dbraw/zinc/39/91/57/1065399157.db2.gz CINVHUBFDYTZGI-AWEZNQCLSA-N 0 0 478.359 4.548 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC12CCOCC2 ZINC001360480662 1065399877 /nfs/dbraw/zinc/39/98/77/1065399877.db2.gz DZYUGFHUFFMCRS-FPOVZHCZSA-N 0 0 451.615 4.710 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1Cc1nc(C(F)(F)F)cs1 ZINC001360480887 1065400638 /nfs/dbraw/zinc/40/06/38/1065400638.db2.gz IBYGGEZBRSNAJS-CQSZACIVSA-N 0 0 459.501 4.543 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCn2ccnc21 ZINC001360481227 1065400711 /nfs/dbraw/zinc/40/07/11/1065400711.db2.gz MXUGTVKPPUDJRE-HOTGVXAUSA-N 0 0 474.396 4.676 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCCC1(C)C ZINC001360481314 1065400843 /nfs/dbraw/zinc/40/08/43/1065400843.db2.gz OLACGAVASFEZEO-NYHFZMIOSA-N 0 0 466.413 4.843 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccnc(OC(F)F)c1 ZINC001360481509 1065401363 /nfs/dbraw/zinc/40/13/63/1065401363.db2.gz QYKLKTGZYYFCCS-ZDUSSCGKSA-N 0 0 497.333 4.947 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccncc1Cl ZINC001360481614 1065401390 /nfs/dbraw/zinc/40/13/90/1065401390.db2.gz SSDOZVKUKKDQIW-QGZVFWFLSA-N 0 0 452.990 4.990 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCC(F)(F)CC1 ZINC001360482548 1065401995 /nfs/dbraw/zinc/40/19/95/1065401995.db2.gz GEOJJZGWOZYWHP-AEFFLSMTSA-N 0 0 466.577 4.914 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1CCOc2ccccc21 ZINC001360482406 1065402202 /nfs/dbraw/zinc/40/22/02/1065402202.db2.gz CQQLPJDVLSNSPH-KLJZETAQSA-N 0 0 451.615 4.891 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1nc2c(s1)CCCC2 ZINC001360483139 1065402981 /nfs/dbraw/zinc/40/29/81/1065402981.db2.gz SERRDORWJCBCQP-NJNPRVFISA-N 0 0 470.687 4.903 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(OC2CCCC2)c1 ZINC001360483167 1065403103 /nfs/dbraw/zinc/40/31/03/1065403103.db2.gz SPQVGYAFZKZFKG-QTGUNEKASA-N 0 0 466.630 4.700 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C/C=C\c1ccccc1 ZINC001360483713 1065403833 /nfs/dbraw/zinc/40/38/33/1065403833.db2.gz ZVWGDKOBGBBNOQ-HXBMIFSHSA-N 0 0 450.587 4.802 20 30 JJEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nc2c(s1)CCCC2 ZINC001360483600 1065403853 /nfs/dbraw/zinc/40/38/53/1065403853.db2.gz ZHBCCWWNJLDXPE-CBGDNZLLSA-N 0 0 456.660 4.513 20 30 JJEDRN C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001436645383 1065414653 /nfs/dbraw/zinc/41/46/53/1065414653.db2.gz SSQLVAWKNQWYBA-RBUKOAKNSA-N 0 0 450.432 4.901 20 30 JJEDRN C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001436645381 1065414713 /nfs/dbraw/zinc/41/47/13/1065414713.db2.gz SSQLVAWKNQWYBA-MOPGFXCFSA-N 0 0 450.432 4.901 20 30 JJEDRN C#C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1ccc(Br)cc1 ZINC001436651229 1065418150 /nfs/dbraw/zinc/41/81/50/1065418150.db2.gz MVIMDYNQLKGZHA-GOSISDBHSA-N 0 0 459.141 4.502 20 30 JJEDRN C#C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(Br)cc1 ZINC001436651528 1065418333 /nfs/dbraw/zinc/41/83/33/1065418333.db2.gz QMPGTFFQFFQDHK-HNNXBMFYSA-N 0 0 457.549 4.735 20 30 JJEDRN C#C[C@@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(Br)cc1 ZINC001436651963 1065418348 /nfs/dbraw/zinc/41/83/48/1065418348.db2.gz VNQQBODVVBVGQK-JOCHJYFZSA-N 0 0 453.336 4.666 20 30 JJEDRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1Cl ZINC001436657636 1065419879 /nfs/dbraw/zinc/41/98/79/1065419879.db2.gz WNBYIDNFPOHBIR-MFMILTCTSA-N 0 0 462.974 4.779 20 30 JJEDRN N#Cc1c(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)cccc1OC(F)(F)F ZINC001436660094 1065420843 /nfs/dbraw/zinc/42/08/43/1065420843.db2.gz SXVRLBRTJMMSTR-UHFFFAOYSA-N 0 0 453.170 4.578 20 30 JJEDRN Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cccc1S(=O)(=O)N(C)C ZINC001436711404 1065426882 /nfs/dbraw/zinc/42/68/82/1065426882.db2.gz AQXMWCGHDFWMSS-UHFFFAOYSA-N 0 0 451.573 4.521 20 30 JJEDRN C[C@@H](Cc1cccs1)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 ZINC001360502814 1065429093 /nfs/dbraw/zinc/42/90/93/1065429093.db2.gz CYWSHHATVSAVNT-YSIASYRMSA-N 0 0 484.670 4.729 20 30 JJEDRN N#Cc1ccc(CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)cc1F ZINC001436757505 1065437333 /nfs/dbraw/zinc/43/73/33/1065437333.db2.gz VJLATBRKACQRAJ-UHFFFAOYSA-N 0 0 458.202 4.534 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@](C)(Cc1ccccc1)C1CC1 ZINC001436806249 1065443568 /nfs/dbraw/zinc/44/35/68/1065443568.db2.gz DYEWSEPFKZRLDS-QHCPKHFHSA-N 0 0 457.368 4.626 20 30 JJEDRN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001436845623 1065451521 /nfs/dbraw/zinc/45/15/21/1065451521.db2.gz GBMMKPBKMLGVAI-XMSQKQJNSA-N 0 0 456.373 4.911 20 30 JJEDRN C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC001360509976 1065451557 /nfs/dbraw/zinc/45/15/57/1065451557.db2.gz BKVPQTBNBSPZEL-NRFANRHFSA-N 0 0 457.626 4.654 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC001436858155 1065454406 /nfs/dbraw/zinc/45/44/06/1065454406.db2.gz CNICEGIMQMHWFY-GOSISDBHSA-N 0 0 457.368 4.893 20 30 JJEDRN Cc1sc(=O)n(CC(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)c1-c1ccc(F)cc1 ZINC001436867399 1065457408 /nfs/dbraw/zinc/45/74/08/1065457408.db2.gz NQFFGGZPHJMDMB-UHFFFAOYSA-N 0 0 458.518 4.524 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC#N)C2CCCC2)c1 ZINC001360512329 1065459354 /nfs/dbraw/zinc/45/93/54/1065459354.db2.gz MLVZBYLSDKRMSQ-UHFFFAOYSA-N 0 0 457.983 4.630 20 30 JJEDRN N#Cc1cccc2c1CCN2C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001436920363 1065471559 /nfs/dbraw/zinc/47/15/59/1065471559.db2.gz XAHXMPMKASOICH-UHFFFAOYSA-N 0 0 450.342 4.984 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccc(F)cc1Br ZINC001436991658 1065490213 /nfs/dbraw/zinc/49/02/13/1065490213.db2.gz JKLQKVQSAXFXQJ-LBPRGKRZSA-N 0 0 459.237 4.927 20 30 JJEDRN CC[C@@H]1[C@@H](C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)CCN1C(=O)OC(C)(C)C ZINC001436998474 1065490836 /nfs/dbraw/zinc/49/08/36/1065490836.db2.gz POFPPVGHZGJHSG-AYOQOUSVSA-N 0 0 453.505 4.982 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001437001915 1065492134 /nfs/dbraw/zinc/49/21/34/1065492134.db2.gz UDFJPUFSYHIOBI-NSHDSACASA-N 0 0 456.218 4.931 20 30 JJEDRN CC(C)(C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1)c1ccc(C#N)cc1 ZINC001360528385 1065507879 /nfs/dbraw/zinc/50/78/79/1065507879.db2.gz YZYLGNFNNMQFNM-UHFFFAOYSA-N 0 0 457.549 4.903 20 30 JJEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360533809 1065514934 /nfs/dbraw/zinc/51/49/34/1065514934.db2.gz BCGKKKHSIIWDQP-HOTGVXAUSA-N 0 0 491.434 4.701 20 30 JJEDRN C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360540490 1065525632 /nfs/dbraw/zinc/52/56/32/1065525632.db2.gz CYGGWBCFGIACFQ-WINIVTDRSA-N 0 0 496.656 4.714 20 30 JJEDRN CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC001437261444 1065526768 /nfs/dbraw/zinc/52/67/68/1065526768.db2.gz GKJMOZAYDUQPOW-QFIPXVFZSA-N 0 0 458.489 4.659 20 30 JJEDRN C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360541745 1065529181 /nfs/dbraw/zinc/52/91/81/1065529181.db2.gz SVYALCDTIMDYCR-SIKLNZKXSA-N 0 0 496.656 4.856 20 30 JJEDRN O=C(c1ccc(OC(F)(F)F)cc1Br)N1CCC2(CC1)C(F)(F)C2(F)F ZINC001437388705 1065546699 /nfs/dbraw/zinc/54/66/99/1065546699.db2.gz BWHSGPRQSGTQQA-UHFFFAOYSA-N 0 0 450.148 4.854 20 30 JJEDRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1cnn(CCC#N)c1C ZINC001360560656 1065551542 /nfs/dbraw/zinc/55/15/42/1065551542.db2.gz ALSCAIJJXSLBGE-LBPRGKRZSA-N 0 0 458.385 4.791 20 30 JJEDRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1)N(C)C(=O)OC(C)(C)C ZINC001360562413 1065552643 /nfs/dbraw/zinc/55/26/43/1065552643.db2.gz BYVYLAADLLITOV-XBYSBRQOSA-N 0 0 494.640 4.519 20 30 JJEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001437508851 1065564318 /nfs/dbraw/zinc/56/43/18/1065564318.db2.gz USKBVWYJEQTDQB-VBKZILBWSA-N 0 0 454.324 4.615 20 30 JJEDRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(C#N)CC1)Oc1ccc(Cl)cc1 ZINC001360573427 1065567332 /nfs/dbraw/zinc/56/73/32/1065567332.db2.gz MDEXLSZIFCDOMM-SFHVURJKSA-N 0 0 450.974 4.515 20 30 JJEDRN CC1(C(=O)Nc2ncc(F)cc2Br)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001437647138 1065587660 /nfs/dbraw/zinc/58/76/60/1065587660.db2.gz VJVCTHBGBLOGPD-UHFFFAOYSA-N 0 0 451.727 4.753 20 30 JJEDRN C#CCOc1ccccc1CNC(=O)c1ccccc1OCc1ccc(Br)cc1 ZINC001360590086 1065594459 /nfs/dbraw/zinc/59/44/59/1065594459.db2.gz ZPYIIFKWASYMJT-UHFFFAOYSA-N 0 0 450.332 4.970 20 30 JJEDRN C#CCOc1ccccc1CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360589794 1065594618 /nfs/dbraw/zinc/59/46/18/1065594618.db2.gz RYXBYWMKGUOBSE-QHCPKHFHSA-N 0 0 450.332 4.898 20 30 JJEDRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N)Oc1ccccc1F ZINC001360590194 1065594991 /nfs/dbraw/zinc/59/49/91/1065594991.db2.gz FMJBEVBLOZFUGY-BJLQDIEVSA-N 0 0 486.592 4.695 20 30 JJEDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001360597669 1065615267 /nfs/dbraw/zinc/61/52/67/1065615267.db2.gz OVZXLNCZLFXMLQ-UUOWRZLLSA-N 0 0 457.599 4.903 20 30 JJEDRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 ZINC001360609042 1065638826 /nfs/dbraw/zinc/63/88/26/1065638826.db2.gz XYTGLIHFVMWLHM-QGZVFWFLSA-N 0 0 473.021 4.889 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC001438013284 1065649013 /nfs/dbraw/zinc/64/90/13/1065649013.db2.gz LERDNAFCEHVPLN-KRZKXXONSA-N 0 0 450.377 4.556 20 30 JJEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC001360621071 1065668123 /nfs/dbraw/zinc/66/81/23/1065668123.db2.gz QOMZJBDRFWCHPL-QHCPKHFHSA-N 0 0 455.558 4.689 20 30 JJEDRN CC(F)(F)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360628708 1065675636 /nfs/dbraw/zinc/67/56/36/1065675636.db2.gz FIFGMZUZBNKJNH-CYBMUJFWSA-N 0 0 468.417 4.740 20 30 JJEDRN C=C[C@@](C)(CCOC)C(=O)Nc1cc(Br)cc(I)c1C ZINC001438180887 1065689129 /nfs/dbraw/zinc/68/91/29/1065689129.db2.gz ZINANYQJGQXRAF-HNNXBMFYSA-N 0 0 452.130 4.529 20 30 JJEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)OCc2c(OC(F)F)ccc3ccccc32)cc1 ZINC001438187215 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C[C@@H](CC#N)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCn2ccnc21 ZINC001360753947 1065801401 /nfs/dbraw/zinc/80/14/01/1065801401.db2.gz LRNNKOQHTMCXNX-BZSNNMDCSA-N 0 0 453.978 4.584 20 30 JJEDRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001360755800 1065811089 /nfs/dbraw/zinc/81/10/89/1065811089.db2.gz JNAMQWDUHBBRBV-SFHVURJKSA-N 0 0 480.016 4.711 20 30 JJEDRN COC(=O)[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1cccc2ccccc21 ZINC001439287427 1065811746 /nfs/dbraw/zinc/81/17/46/1065811746.db2.gz LJOYGKXHFSHYME-SANMLTNESA-N 0 0 450.494 4.935 20 30 JJEDRN COc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)cc(OC)c1Br ZINC001360756966 1065817924 /nfs/dbraw/zinc/81/79/24/1065817924.db2.gz GSLXPVCUXVFGGA-UHFFFAOYSA-N 0 0 454.280 4.778 20 30 JJEDRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)OC(C)(C)C ZINC001360757494 1065819556 /nfs/dbraw/zinc/81/95/56/1065819556.db2.gz CHHYYKZZTGGNTH-MZNJEOGPSA-N 0 0 489.020 4.726 20 30 JJEDRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC1CCOCC1 ZINC001360758527 1065824897 /nfs/dbraw/zinc/82/48/97/1065824897.db2.gz TWORZTCFLOJJHX-HXOBKFHXSA-N 0 0 461.969 4.720 20 30 JJEDRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC1CCOCC1 ZINC001360758525 1065824978 /nfs/dbraw/zinc/82/49/78/1065824978.db2.gz TWORZTCFLOJJHX-GAJHUEQPSA-N 0 0 461.969 4.720 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)N[C@H](c3ccc(Cl)cc3Cl)C(F)(F)F)CC2=O)cc1 ZINC001439426615 1065826511 /nfs/dbraw/zinc/82/65/11/1065826511.db2.gz AMGVVAHDRVKZDW-KZULUSFZSA-N 0 0 456.251 4.638 20 30 JJEDRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)c1cccs1 ZINC001360761149 1065836119 /nfs/dbraw/zinc/83/61/19/1065836119.db2.gz ZOZBGGVFQXLWMY-VQIMIIECSA-N 0 0 472.014 4.840 20 30 JJEDRN N#Cc1c(Br)cccc1OCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC001360768059 1065858244 /nfs/dbraw/zinc/85/82/44/1065858244.db2.gz FDRXZKBKAUHRBM-NRFANRHFSA-N 0 0 453.311 4.939 20 30 JJEDRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCSc1nccs1 ZINC001360769275 1065861084 /nfs/dbraw/zinc/86/10/84/1065861084.db2.gz GVPIOBVDBYLUOE-YCRPNKLZSA-N 0 0 476.578 4.638 20 30 JJEDRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360769740 1065863249 /nfs/dbraw/zinc/86/32/49/1065863249.db2.gz MYHYNURLXMFZIF-GOSISDBHSA-N 0 0 486.592 4.554 20 30 JJEDRN CCn1cc(CC(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001439788115 1065876923 /nfs/dbraw/zinc/87/69/23/1065876923.db2.gz KVMGGYYMWPOCDB-OKILXGFUSA-N 0 0 454.361 4.833 20 30 JJEDRN O=C([C@@H]1CSC[C@H]1c1ccccc1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001439789947 1065877546 /nfs/dbraw/zinc/87/75/46/1065877546.db2.gz TUFKNNCXJCGHTH-REWJHTLYSA-N 0 0 459.402 4.763 20 30 JJEDRN CCc1noc([C@H]2CC[C@@H](NC(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)C2)n1 ZINC001439852017 1065886366 /nfs/dbraw/zinc/88/63/66/1065886366.db2.gz DSRJJNMDNTVYEF-WCQYABFASA-N 0 0 453.358 4.988 20 30 JJEDRN CCc1noc([C@H]2CC[C@H](NC(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)C2)n1 ZINC001439851975 1065886563 /nfs/dbraw/zinc/88/65/63/1065886563.db2.gz DSRJJNMDNTVYEF-AAEUAGOBSA-N 0 0 453.358 4.988 20 30 JJEDRN N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)o1 ZINC001439927638 1065893891 /nfs/dbraw/zinc/89/38/91/1065893891.db2.gz QSLQRNPIOADELR-UHFFFAOYSA-N 0 0 459.889 4.846 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CCCCC2)C1 ZINC001360783213 1065894704 /nfs/dbraw/zinc/89/47/04/1065894704.db2.gz FRKZWHUZWJTJME-OAQYLSRUSA-N 0 0 458.404 4.533 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001360783757 1065896578 /nfs/dbraw/zinc/89/65/78/1065896578.db2.gz RIBFYVDTEGVEBX-OAQYLSRUSA-N 0 0 491.905 4.508 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCOc2ccc(Cl)cn2)C1 ZINC001360783633 1065896650 /nfs/dbraw/zinc/89/66/50/1065896650.db2.gz OHPARASWNWYANM-QFIPXVFZSA-N 0 0 457.365 4.856 20 30 JJEDRN CC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 ZINC001360783865 1065897224 /nfs/dbraw/zinc/89/72/24/1065897224.db2.gz STYOJJWLYINSDA-QFIPXVFZSA-N 0 0 458.404 4.654 20 30 JJEDRN C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCOC(F)(F)F)C1 ZINC001360784071 1065898014 /nfs/dbraw/zinc/89/80/14/1065898014.db2.gz XSEWVFAMJZFKDZ-SFHVURJKSA-N 0 0 472.309 4.764 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C)CCC2)C1 ZINC001360784925 1065898512 /nfs/dbraw/zinc/89/85/12/1065898512.db2.gz MPPGUVFJRHIQHC-UQBPGWFLSA-N 0 0 456.635 4.713 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCC(F)(F)C(F)F)C1 ZINC001360784433 1065898542 /nfs/dbraw/zinc/89/85/42/1065898542.db2.gz FKCQVRMDJRRMRI-HXUWFJFHSA-N 0 0 473.902 4.569 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H]2C[C@H](F)C2)C1 ZINC001360784590 1065898586 /nfs/dbraw/zinc/89/85/86/1065898586.db2.gz HWEKTADSHMTRNY-KYCQWFEFSA-N 0 0 474.625 4.661 20 30 JJEDRN 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C#Cc1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC001439971367 1065899515 /nfs/dbraw/zinc/89/95/15/1065899515.db2.gz NUSNNWUNMHPHQM-BDYUSTAISA-N 0 0 454.526 4.808 20 30 JJEDRN CC(C)(C)OC(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001360787709 1065900362 /nfs/dbraw/zinc/90/03/62/1065900362.db2.gz ARJJXIYBTPUDAN-DEOSSOPVSA-N 0 0 489.020 4.555 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001360787780 1065901020 /nfs/dbraw/zinc/90/10/20/1065901020.db2.gz CECPKUSQPLGAMN-HSZRJFAPSA-N 0 0 454.500 4.655 20 30 JJEDRN C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Br)cc3)n2CC2CC(F)(F)C2)C1 ZINC001360787975 1065902138 /nfs/dbraw/zinc/90/21/38/1065902138.db2.gz IJJXQUNJJOJNKS-HXUWFJFHSA-N 0 0 480.357 4.795 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@@H]1CCCCO1 ZINC001360788633 1065902490 /nfs/dbraw/zinc/90/24/90/1065902490.db2.gz YJGIYAPTOOHJPI-WOVHNISZSA-N 0 0 486.661 4.829 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2CCOCC2)CC1 ZINC001360788771 1065903018 /nfs/dbraw/zinc/90/30/18/1065903018.db2.gz DQLMVTXJXKULME-UHFFFAOYSA-N 0 0 476.394 4.793 20 30 JJEDRN CC(C)(C)c1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCN2CCCCC2=O)cc1 ZINC001360789265 1065903985 /nfs/dbraw/zinc/90/39/85/1065903985.db2.gz YTNILKSPSKWHBV-UHFFFAOYSA-N 0 0 462.642 4.775 20 30 JJEDRN CC1(C#N)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOC(F)(F)F)CC1 ZINC001360789096 1065904026 /nfs/dbraw/zinc/90/40/26/1065904026.db2.gz ROZQCXUNMKHADY-UHFFFAOYSA-N 0 0 472.309 4.764 20 30 JJEDRN CC1(C#N)CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccc(Br)n2)CC1 ZINC001360790789 1065905594 /nfs/dbraw/zinc/90/55/94/1065905594.db2.gz IUDJPJYXJKDLGM-UHFFFAOYSA-N 0 0 485.817 4.858 20 30 JJEDRN CC1(C#N)CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360790666 1065905655 /nfs/dbraw/zinc/90/56/55/1065905655.db2.gz GMLHHQIEYNLVPB-SFHVURJKSA-N 0 0 480.966 4.537 20 30 JJEDRN CC(C)(C)Oc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCC(C)(C#N)CC2)cn1 ZINC001360792207 1065906611 /nfs/dbraw/zinc/90/66/11/1065906611.db2.gz JLMRHLNNJLSIPQ-UHFFFAOYSA-N 0 0 478.572 4.747 20 30 JJEDRN CC1(C#N)CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccncc2Cl)CC1 ZINC001360791998 1065906623 /nfs/dbraw/zinc/90/66/23/1065906623.db2.gz CJHLIIZPISZIKV-UHFFFAOYSA-N 0 0 457.365 4.737 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCC(C)(C#N)CC3)n2CCCOc2ccccc2)C1 ZINC001360792478 1065907166 /nfs/dbraw/zinc/90/71/66/1065907166.db2.gz RNGUZHGJYJHBAV-OYRHEFFESA-N 0 0 494.640 4.648 20 30 JJEDRN CC1(C#N)CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCS2)CC1 ZINC001360792573 1065907181 /nfs/dbraw/zinc/90/71/81/1065907181.db2.gz VPXBNFWIQIOUKJ-GOSISDBHSA-N 0 0 476.444 4.645 20 30 JJEDRN COc1cccc2c1CCC[C@H](NC(=O)C1(C)CCN(c3ccc(Cl)cc3C#N)CC1)C2 ZINC001440068962 1065908761 /nfs/dbraw/zinc/90/87/61/1065908761.db2.gz RDOYMQDLHZNXMN-NRFANRHFSA-N 0 0 451.998 4.891 20 30 JJEDRN Cc1c(C(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)cnn1-c1cccc(Br)c1 ZINC001440101235 1065911660 /nfs/dbraw/zinc/91/16/60/1065911660.db2.gz 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4.500 20 30 JJEDRN CC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(CC#N)CC2)CCOCC1 ZINC001360833628 1065945290 /nfs/dbraw/zinc/94/52/90/1065945290.db2.gz RGGGXWSPZQPNOH-UHFFFAOYSA-N 0 0 458.404 4.654 20 30 JJEDRN CC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC(C#N)CC2)CCOCC1 ZINC001360834841 1065946450 /nfs/dbraw/zinc/94/64/50/1065946450.db2.gz KWPBDPUMZPZFGU-UHFFFAOYSA-N 0 0 478.822 4.918 20 30 JJEDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001440681035 1065964983 /nfs/dbraw/zinc/96/49/83/1065964983.db2.gz FGOCFIBGDGRGJN-HXUWFJFHSA-N 0 0 456.493 4.559 20 30 JJEDRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001440680790 1065965166 /nfs/dbraw/zinc/96/51/66/1065965166.db2.gz KMTYZAZBFSTFAN-QHCPKHFHSA-N 0 0 458.528 4.964 20 30 JJEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)/C(F)=C\c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001440687093 1065966934 /nfs/dbraw/zinc/96/69/34/1065966934.db2.gz ULCUFBZMIZIIHQ-RQRMZWKBSA-N 0 0 453.386 4.703 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001440735259 1065972681 /nfs/dbraw/zinc/97/26/81/1065972681.db2.gz RJBVNMRNUGUSRY-JOCHJYFZSA-N 0 0 450.970 4.657 20 30 JJEDRN CC1=C(Br)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCC2)CC1 ZINC001360857594 1065975616 /nfs/dbraw/zinc/97/56/16/1065975616.db2.gz FSXOKYYWPHGIIA-LJQANCHMSA-N 0 0 468.399 4.964 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@]3(CCOC3)O2)c1C ZINC001360865740 1065985625 /nfs/dbraw/zinc/98/56/25/1065985625.db2.gz HXXIGKUHXXSZPU-RKCWLVDCSA-N 0 0 467.614 4.502 20 30 JJEDRN Cc1ncc(-c2ccc(NC(=O)[C@@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)cc2)o1 ZINC001440920804 1065993956 /nfs/dbraw/zinc/99/39/56/1065993956.db2.gz OHLQGAJBJBFNCE-QHCPKHFHSA-N 0 0 458.518 4.995 20 30 JJEDRN Cc1cccc(-n2ccnc2SCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1C ZINC001441044044 1066003098 /nfs/dbraw/zinc/00/30/98/1066003098.db2.gz AHORCFMYAUZKHY-SFHVURJKSA-N 0 0 455.381 4.725 20 30 JJEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC001441073358 1066005795 /nfs/dbraw/zinc/00/57/95/1066005795.db2.gz KWOMSGIOYBQMAD-UHFFFAOYSA-N 0 0 459.933 4.992 20 30 JJEDRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@H]2CCCCO2)c1C ZINC001360873498 1066009409 /nfs/dbraw/zinc/00/94/09/1066009409.db2.gz HWYFNWDFKIGZFX-OTPAQWSUSA-N 0 0 455.578 4.826 20 30 JJEDRN COc1ccc(C(NC(=O)CCCC(=O)Nc2ccccc2C#N)c2ccc(OC)cc2)cc1 ZINC001441192426 1066014068 /nfs/dbraw/zinc/01/40/68/1066014068.db2.gz OQJMQJIEQZZWRB-UHFFFAOYSA-N 0 0 457.530 4.590 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001441284438 1066022875 /nfs/dbraw/zinc/02/28/75/1066022875.db2.gz HISJTOJHZOITRN-SJLPKXTDSA-N 0 0 454.995 4.943 20 30 JJEDRN N#Cc1ccc(-c2cccc(CNC(=O)Cc3csc(NC(=O)c4ccccc4)n3)c2)s1 ZINC001360877940 1066024404 /nfs/dbraw/zinc/02/44/04/1066024404.db2.gz OCXCTGUGCVOHTI-UHFFFAOYSA-N 0 0 458.568 4.854 20 30 JJEDRN C[C@@]1(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001360878449 1066025941 /nfs/dbraw/zinc/02/59/41/1066025941.db2.gz XVSYVEZHPQWCRI-AREMUKBSSA-N 0 0 459.571 4.952 20 30 JJEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cc1 ZINC001441324864 1066028460 /nfs/dbraw/zinc/02/84/60/1066028460.db2.gz FGDDJBHRMUDJGJ-GOSISDBHSA-N 0 0 451.280 4.847 20 30 JJEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC001441402342 1066037814 /nfs/dbraw/zinc/03/78/14/1066037814.db2.gz GBWCWCBXPIHFRL-HXUWFJFHSA-N 0 0 454.530 4.902 20 30 JJEDRN N#Cc1cccnc1NCc1cccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 ZINC001441408134 1066038877 /nfs/dbraw/zinc/03/88/77/1066038877.db2.gz TZKUJPVNGWGONG-UHFFFAOYSA-N 0 0 453.477 4.822 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](COc3ccccc3F)c3ccccc3)[nH]n2)c1C ZINC001441569001 1066051725 /nfs/dbraw/zinc/05/17/25/1066051725.db2.gz LMTSDWCZSPFURG-QHCPKHFHSA-N 0 0 459.525 4.765 20 30 JJEDRN Cc1nc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)sc1C ZINC001360900968 1066054191 /nfs/dbraw/zinc/05/41/91/1066054191.db2.gz AOCUTNUYVILFCV-WAIKUNEKSA-N 0 0 454.575 4.809 20 30 JJEDRN Cc1nc(Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(CCC#N)CCC(C)C)sc1C ZINC001360903419 1066056982 /nfs/dbraw/zinc/05/69/82/1066056982.db2.gz ZLFQEPICGSOCSM-UHFFFAOYSA-N 0 0 466.611 4.604 20 30 JJEDRN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC001441657822 1066058584 /nfs/dbraw/zinc/05/85/84/1066058584.db2.gz KJRGCMWBFIVOLB-UHFFFAOYSA-N 0 0 459.493 4.820 20 30 JJEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCOC[C@@H]1C ZINC001360907948 1066062816 /nfs/dbraw/zinc/06/28/16/1066062816.db2.gz WLSCUHYDZVPJIX-QKLQHJQFSA-N 0 0 450.612 4.788 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@H](C)CC#N ZINC001360908015 1066063256 /nfs/dbraw/zinc/06/32/56/1066063256.db2.gz XUUBPPMFYJPLOH-MRXNPFEDSA-N 0 0 460.611 4.780 20 30 JJEDRN Cc1n[nH]cc1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(Br)cs1 ZINC001360913036 1066069736 /nfs/dbraw/zinc/06/97/36/1066069736.db2.gz KFTIGJLNOHFCAC-UHFFFAOYSA-N 0 0 496.438 4.942 20 30 JJEDRN Cc1ccsc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001360920568 1066076760 /nfs/dbraw/zinc/07/67/60/1066076760.db2.gz XKZNBOFXIYJYKG-UHFFFAOYSA-N 0 0 476.650 4.513 20 30 JJEDRN N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(Br)cc2O)cc1 ZINC001441889468 1066078540 /nfs/dbraw/zinc/07/85/40/1066078540.db2.gz TUPOPMNLGHIGDI-UHFFFAOYSA-N 0 0 451.320 4.981 20 30 JJEDRN CCCCOc1ccc(C=NOCC(=O)Nc2cc(Br)ccc2F)cc1OC ZINC001441986930 1066084290 /nfs/dbraw/zinc/08/42/90/1066084290.db2.gz WPKRLSNEBKNKDX-UHFFFAOYSA-N 0 0 453.308 4.765 20 30 JJEDRN Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360935870 1066095965 /nfs/dbraw/zinc/09/59/65/1066095965.db2.gz ZWVCEUSYPIQAFI-UHFFFAOYSA-N 0 0 464.570 4.612 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC001442181224 1066099487 /nfs/dbraw/zinc/09/94/87/1066099487.db2.gz XRWBFAPREWIPGY-KRWDZBQOSA-N 0 0 453.514 4.867 20 30 JJEDRN Cc1c(Cn2c(C(C)C)nnc2N2CCC[C@H](Cc3ccc(C#N)cc3)C2)cnn1CC(C)C ZINC001360952271 1066109768 /nfs/dbraw/zinc/10/97/68/1066109768.db2.gz BEVMEQNGDOMHQY-XMMPIXPASA-N 0 0 459.642 4.942 20 30 JJEDRN Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)cnn1CC(C)C ZINC001360959498 1066116828 /nfs/dbraw/zinc/11/68/28/1066116828.db2.gz DWYDELMLRFJHGA-UHFFFAOYSA-N 0 0 471.531 4.805 20 30 JJEDRN Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360959552 1066117031 /nfs/dbraw/zinc/11/70/31/1066117031.db2.gz GZUXAMMBGMMUIU-UHFFFAOYSA-N 0 0 478.622 4.729 20 30 JJEDRN N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)cc2)nc1 ZINC001442473799 1066129698 /nfs/dbraw/zinc/12/96/98/1066129698.db2.gz PHORBFCOMCHUSG-UHFFFAOYSA-N 0 0 456.889 4.861 20 30 JJEDRN Cc1ccoc1Cn1c(COc2ccc(Br)cc2)nnc1N(CCC#N)CC1CC1 ZINC001360976644 1066132200 /nfs/dbraw/zinc/13/22/00/1066132200.db2.gz NVCPEVPSNRIMEG-UHFFFAOYSA-N 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Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N(CCC#N)CC1CC1 ZINC001360984507 1066146191 /nfs/dbraw/zinc/14/61/91/1066146191.db2.gz ZBNMECOIEBQFNG-NRFANRHFSA-N 0 0 471.005 4.640 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CCCc1cnn(C)c1 ZINC001360986682 1066153680 /nfs/dbraw/zinc/15/36/80/1066153680.db2.gz JRUHLPFJVJRXPO-LPHOPBHVSA-N 0 0 470.021 4.651 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C(C)C ZINC001360989475 1066161398 /nfs/dbraw/zinc/16/13/98/1066161398.db2.gz FTIJZXDTODIXLG-CLOONOSVSA-N 0 0 487.048 4.591 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCCO2)n1Cc1ccc(C#N)o1 ZINC001360989648 1066162840 /nfs/dbraw/zinc/16/28/40/1066162840.db2.gz IIVVAJXNNZNEDJ-YLJYHZDGSA-N 0 0 469.973 4.817 20 30 JJEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(C)COC1 ZINC001360989725 1066163486 /nfs/dbraw/zinc/16/34/86/1066163486.db2.gz JWTBKRALKCWDMW-GOSISDBHSA-N 0 0 458.006 4.855 20 30 JJEDRN 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Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H](C)c2nccs2)c(C)o1 ZINC001360998091 1066177054 /nfs/dbraw/zinc/17/70/54/1066177054.db2.gz UKNZDHNJBHJMJC-CPJLOUKISA-N 0 0 476.606 4.631 20 30 JJEDRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)c(C)o1 ZINC001361003674 1066181451 /nfs/dbraw/zinc/18/14/51/1066181451.db2.gz YYWLUDUGOAOLJH-DNOBIOAJSA-N 0 0 477.609 4.719 20 30 JJEDRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)c(C)o1 ZINC001361003675 1066181487 /nfs/dbraw/zinc/18/14/87/1066181487.db2.gz YYWLUDUGOAOLJH-MYUZEXMDSA-N 0 0 477.609 4.719 20 30 JJEDRN C=CCCC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001453971580 1066227878 /nfs/dbraw/zinc/22/78/78/1066227878.db2.gz XOBHXQAHONRGBQ-UHFFFAOYSA-N 0 0 451.386 4.725 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](c2cccnc2)C(C)C)c1 ZINC001361026991 1066228246 /nfs/dbraw/zinc/22/82/46/1066228246.db2.gz JHRFEUNNEIVOMP-BVAGGSTKSA-N 0 0 462.573 4.751 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](c2cccnc2)C(C)C)c1 ZINC001361026994 1066228262 /nfs/dbraw/zinc/22/82/62/1066228262.db2.gz JHRFEUNNEIVOMP-ZEQKJWHPSA-N 0 0 462.573 4.751 20 30 JJEDRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OC(C)(C)C)CC2)O1 ZINC001546057107 1066231299 /nfs/dbraw/zinc/23/12/99/1066231299.db2.gz NWDRKUYVODMGSX-HOFKKMOUSA-N 0 0 481.641 4.860 20 30 JJEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@]23C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)cc1 ZINC001442875092 1066236055 /nfs/dbraw/zinc/23/60/55/1066236055.db2.gz MKHBCBVBKCZDCP-BNJIMDBKSA-N 0 0 463.534 4.991 20 30 JJEDRN C=CCCC[C@@H](C(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1)c1ccccc1 ZINC001442934764 1066243966 /nfs/dbraw/zinc/24/39/66/1066243966.db2.gz FPBGPSCWGZOEDO-RCZVLFRGSA-N 0 0 454.636 4.652 20 30 JJEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001442973196 1066248431 /nfs/dbraw/zinc/24/84/31/1066248431.db2.gz KZSUPJOXDFLHAL-UHFFFAOYSA-N 0 0 450.308 4.903 20 30 JJEDRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2CCC(C(F)(F)F)CC2)c1 ZINC001361035751 1066254464 /nfs/dbraw/zinc/25/44/64/1066254464.db2.gz MJRVFVZKNVEUIJ-GZNCHQMQSA-N 0 0 477.531 4.571 20 30 JJEDRN C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001443043303 1066257545 /nfs/dbraw/zinc/25/75/45/1066257545.db2.gz BZBNZAUOAHRIHB-INIZCTEOSA-N 0 0 453.514 4.718 20 30 JJEDRN N#Cc1ccc(N2CCC(NC(=O)c3ccccc3NCCc3ccc(Cl)cc3)CC2)nc1 ZINC001443088164 1066264710 /nfs/dbraw/zinc/26/47/10/1066264710.db2.gz KDGAKVAUWATMFR-UHFFFAOYSA-N 0 0 459.981 4.660 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC001454343210 1066272904 /nfs/dbraw/zinc/27/29/04/1066272904.db2.gz CMSFBERZDSHOLC-VXKWHMMOSA-N 0 0 451.954 4.850 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC2(CCSCC2)CC1 ZINC001454510598 1066295279 /nfs/dbraw/zinc/29/52/79/1066295279.db2.gz FPXRNMJVTSHMCD-NRFANRHFSA-N 0 0 455.624 4.528 20 30 JJEDRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC#N)Oc1cccc(F)c1 ZINC001545956965 1066295208 /nfs/dbraw/zinc/29/52/08/1066295208.db2.gz MFVFVNUGXQXTFY-YOEHRIQHSA-N 0 0 475.366 4.771 20 30 JJEDRN N#Cc1cc(Br)ccc1N1CC(C(=O)N(Cc2cccc(F)c2)C2CCCC2)C1 ZINC001443406027 1066306710 /nfs/dbraw/zinc/30/67/10/1066306710.db2.gz IUZFRKLBWIQKLC-UHFFFAOYSA-N 0 0 456.359 4.867 20 30 JJEDRN Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cc(Br)cs2)no1 ZINC001361071400 1066311531 /nfs/dbraw/zinc/31/15/31/1066311531.db2.gz ILCRSLQUVUEILT-UHFFFAOYSA-N 0 0 469.368 4.622 20 30 JJEDRN Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cs1 ZINC001361072093 1066312443 /nfs/dbraw/zinc/31/24/43/1066312443.db2.gz VLFXAUKAGCONPR-UHFFFAOYSA-N 0 0 478.622 4.729 20 30 JJEDRN Cc1csc(Nc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)cc2)n1 ZINC001443450676 1066313088 /nfs/dbraw/zinc/31/30/88/1066313088.db2.gz QRUBYTLBGYHFCT-OAHLLOKOSA-N 0 0 451.939 4.712 20 30 JJEDRN Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)cs1 ZINC001361072163 1066313086 /nfs/dbraw/zinc/31/30/86/1066313086.db2.gz XQYUKIGSGWAYEC-JOCHJYFZSA-N 0 0 475.540 4.765 20 30 JJEDRN Cc1cc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@](F)(C#N)C2)cs1 ZINC001361072218 1066313165 /nfs/dbraw/zinc/31/31/65/1066313165.db2.gz YRELWEHJXDYSRQ-IBGZPJMESA-N 0 0 464.339 4.707 20 30 JJEDRN Cc1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N(CCC#N)CCC(C)C)no1 ZINC001361074100 1066315080 /nfs/dbraw/zinc/31/50/80/1066315080.db2.gz XLKIOSMXMRVMTI-UHFFFAOYSA-N 0 0 475.366 4.958 20 30 JJEDRN Cc1cc(-c2csc(NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)n2)c(C)o1 ZINC001443510340 1066321271 /nfs/dbraw/zinc/32/12/71/1066321271.db2.gz QRAHURCPZGEQPL-IOXSGPKDSA-N 0 0 456.568 4.745 20 30 JJEDRN COc1ccc([C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 ZINC001361088039 1066329213 /nfs/dbraw/zinc/32/92/13/1066329213.db2.gz JDVFXUFTBIMNLK-FGZHOGPDSA-N 0 0 455.530 4.627 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)CC#N ZINC001443569850 1066329491 /nfs/dbraw/zinc/32/94/91/1066329491.db2.gz SLAHWMQHDSVFQB-GAJHUEQPSA-N 0 0 451.954 4.797 20 30 JJEDRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001361088965 1066333528 /nfs/dbraw/zinc/33/35/28/1066333528.db2.gz NXQNICPTIAGZBE-LZYPDUGYSA-N 0 0 486.060 4.933 20 30 JJEDRN CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001443605213 1066337020 /nfs/dbraw/zinc/33/70/20/1066337020.db2.gz PKNKDWLERGDUJU-PKTZIBPZSA-N 0 0 450.583 4.915 20 30 JJEDRN C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)c1 ZINC001361104424 1066353740 /nfs/dbraw/zinc/35/37/40/1066353740.db2.gz RLYVBYLZPBGLMP-SFHVURJKSA-N 0 0 452.601 4.653 20 30 JJEDRN Cc1cccc(O[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCC#N)CC2CC2)c1 ZINC001361106060 1066355485 /nfs/dbraw/zinc/35/54/85/1066355485.db2.gz AOUKMTLYPRPGQD-KRWDZBQOSA-N 0 0 483.414 4.942 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 ZINC001545961376 1066355710 /nfs/dbraw/zinc/35/57/10/1066355710.db2.gz ULYBWPOOARXLMG-WBVHZDCISA-N 0 0 472.412 4.692 20 30 JJEDRN O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2nc[nH]c2C1 ZINC001546069533 1066368226 /nfs/dbraw/zinc/36/82/26/1066368226.db2.gz ORDPJUPHWIJSLF-XLKFXECMSA-N 0 0 459.312 4.972 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361121973 1066372052 /nfs/dbraw/zinc/37/20/52/1066372052.db2.gz AJMMHUYBBSFANE-IBGZPJMESA-N 0 0 470.618 4.552 20 30 JJEDRN Cc1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(Cl)n1 ZINC001455240092 1066374408 /nfs/dbraw/zinc/37/44/08/1066374408.db2.gz BFTWKKQLMWVQJF-UHFFFAOYSA-N 0 0 450.951 4.576 20 30 JJEDRN N#Cc1c[nH]c2cc(C(=O)Nc3cccc(CS(=O)(=O)c4ccc(F)cc4F)c3)ccc12 ZINC001443866696 1066377844 /nfs/dbraw/zinc/37/78/44/1066377844.db2.gz NKSPJUBYMKNSMJ-UHFFFAOYSA-N 0 0 451.454 4.544 20 30 JJEDRN COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnc1Br ZINC001361125341 1066378605 /nfs/dbraw/zinc/37/86/05/1066378605.db2.gz UMEHHLVJSPTULZ-UHFFFAOYSA-N 0 0 456.271 4.695 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCCc2cnn(C)c2)c1 ZINC001361125898 1066380174 /nfs/dbraw/zinc/38/01/74/1066380174.db2.gz GTLQUKGCQGLOQA-UHFFFAOYSA-N 0 0 475.641 4.785 20 30 JJEDRN CCOC(=O)c1csc(CC2CCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)n1 ZINC001455283986 1066380447 /nfs/dbraw/zinc/38/04/47/1066380447.db2.gz DITIMTAHURFLSR-UHFFFAOYSA-N 0 0 453.589 4.810 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001361126014 1066381694 /nfs/dbraw/zinc/38/16/94/1066381694.db2.gz JDBHTSPBAOCIGA-UMSFTDKQSA-N 0 0 485.698 4.966 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001361126015 1066381997 /nfs/dbraw/zinc/38/19/97/1066381997.db2.gz JDBHTSPBAOCIGA-UUWRZZSWSA-N 0 0 485.698 4.966 20 30 JJEDRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001361126327 1066383472 /nfs/dbraw/zinc/38/34/72/1066383472.db2.gz QBLVNIRJNHOCKZ-IFMALSPDSA-N 0 0 451.615 4.702 20 30 JJEDRN C=CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 ZINC001443937899 1066387067 /nfs/dbraw/zinc/38/70/67/1066387067.db2.gz QTYANJLSXLEBCL-QFIPXVFZSA-N 0 0 455.599 4.673 20 30 JJEDRN N#Cc1ccc(F)c(CNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1 ZINC001361128621 1066392652 /nfs/dbraw/zinc/39/26/52/1066392652.db2.gz ATPOHZSMHBXWOM-UHFFFAOYSA-N 0 0 452.283 4.642 20 30 JJEDRN CCc1ccc(N2CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)CC2)cc1 ZINC001361132605 1066403182 /nfs/dbraw/zinc/40/31/82/1066403182.db2.gz QOVFGVLGGYPVSB-UHFFFAOYSA-N 0 0 451.014 4.729 20 30 JJEDRN C#CCN(C(=O)c1cc(Cl)c(Cl)cc1N)[C@@H]1CCOc2ccc(Br)cc21 ZINC001444119968 1066408529 /nfs/dbraw/zinc/40/85/29/1066408529.db2.gz IJCQYJFFWYLATP-QGZVFWFLSA-N 0 0 454.151 4.937 20 30 JJEDRN C#CCN(C(=O)C[C@H](C)N1CCc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 ZINC001444126382 1066410226 /nfs/dbraw/zinc/41/02/26/1066410226.db2.gz WDRNKVVTMTXESF-JTSKRJEESA-N 0 0 453.380 4.576 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC001455568848 1066411648 /nfs/dbraw/zinc/41/16/48/1066411648.db2.gz RWWWJZGQYMOTMI-IRXDYDNUSA-N 0 0 453.377 4.639 20 30 JJEDRN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545964750 1066412285 /nfs/dbraw/zinc/41/22/85/1066412285.db2.gz JQZBWSTWFDKNPV-DOTOQJQBSA-N 0 0 477.009 4.506 20 30 JJEDRN C=CC[C@H](NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccncc1 ZINC001444209404 1066429017 /nfs/dbraw/zinc/42/90/17/1066429017.db2.gz KLOWCBMGQXRHDU-SFHVURJKSA-N 0 0 454.324 4.666 20 30 JJEDRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C#N)cc1 ZINC001455795419 1066432184 /nfs/dbraw/zinc/43/21/84/1066432184.db2.gz SUYXISUFVCDBHE-UHFFFAOYSA-N 0 0 459.999 4.857 20 30 JJEDRN CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(CCC#N)CC1CC1)NC(=O)OC(C)(C)C ZINC001545966420 1066435163 /nfs/dbraw/zinc/43/51/63/1066435163.db2.gz DHXAVDULHFUSKN-NRFANRHFSA-N 0 0 489.624 4.927 20 30 JJEDRN C#CCN(C(=O)/C=C\c1cccc(OC2CCCC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455808874 1066435382 /nfs/dbraw/zinc/43/53/82/1066435382.db2.gz BWTWZYXORJREAJ-YPKPFQOOSA-N 0 0 452.595 4.883 20 30 JJEDRN C#CCN(C(=O)c1cnc(-c2ccccc2Cl)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455811777 1066435738 /nfs/dbraw/zinc/43/57/38/1066435738.db2.gz RSANYKNLBBFRPZ-UHFFFAOYSA-N 0 0 459.999 4.938 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(CCC)[nH]n2)c1 ZINC001444266130 1066438949 /nfs/dbraw/zinc/43/89/49/1066438949.db2.gz KLXZEECNBHZONO-UHFFFAOYSA-N 0 0 458.971 4.649 20 30 JJEDRN Cc1cccc(O[C@@H](C)CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 ZINC001444268560 1066439773 /nfs/dbraw/zinc/43/97/73/1066439773.db2.gz VXMBJFYAYJSNCQ-IBGZPJMESA-N 0 0 459.571 4.795 20 30 JJEDRN CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(Br)cs1)OC ZINC001545966701 1066445963 /nfs/dbraw/zinc/44/59/63/1066445963.db2.gz IVWTZVKIZQXUNG-QGZVFWFLSA-N 0 0 460.401 4.702 20 30 JJEDRN N#Cc1ccc(CSc2ccccc2C(=O)NCCNc2nccc(C(F)(F)F)n2)cc1 ZINC001444354299 1066453914 /nfs/dbraw/zinc/45/39/14/1066453914.db2.gz YEBYGNHCZGLKNN-UHFFFAOYSA-N 0 0 457.481 4.501 20 30 JJEDRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 ZINC001455936342 1066455748 /nfs/dbraw/zinc/45/57/48/1066455748.db2.gz UCQWTZYBBDANLE-UHFFFAOYSA-N 0 0 452.507 4.711 20 30 JJEDRN CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)c1nccs1)NC(=O)OC(C)(C)C ZINC001545966995 1066456823 /nfs/dbraw/zinc/45/68/23/1066456823.db2.gz NZCVDZCZMVYKGF-YLJYHZDGSA-N 0 0 495.653 4.816 20 30 JJEDRN CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)c1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001455953801 1066459347 /nfs/dbraw/zinc/45/93/47/1066459347.db2.gz MSYQUFHDDAVULP-KRWDZBQOSA-N 0 0 458.374 4.906 20 30 JJEDRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2Cc2ccc(C#N)o2)c1 ZINC001361156561 1066459417 /nfs/dbraw/zinc/45/94/17/1066459417.db2.gz YNSIQHINTJSGNQ-IBGZPJMESA-N 0 0 489.498 4.535 20 30 JJEDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC001444412951 1066460179 /nfs/dbraw/zinc/46/01/79/1066460179.db2.gz RUKSESZJSSTYMZ-QGZVFWFLSA-N 0 0 456.575 4.900 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC001455960134 1066460612 /nfs/dbraw/zinc/46/06/12/1066460612.db2.gz JPCVTOQYBMQFEE-FQEVSTJZSA-N 0 0 457.571 4.664 20 30 JJEDRN C[C@](O)(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(F)c(Br)c1 ZINC001444416020 1066460663 /nfs/dbraw/zinc/46/06/63/1066460663.db2.gz ZERJGFUJSVUVLL-OAQYLSRUSA-N 0 0 459.340 4.712 20 30 JJEDRN N#Cc1ccc(CNC(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)cc1 ZINC001444466381 1066463031 /nfs/dbraw/zinc/46/30/31/1066463031.db2.gz DSQISMQHBGYEDE-UHFFFAOYSA-N 0 0 452.283 4.642 20 30 JJEDRN COc1ccc([C@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2ccccc2Cl)cc1 ZINC001444475137 1066464590 /nfs/dbraw/zinc/46/45/90/1066464590.db2.gz CTIYLJXYHJJVTH-VWLOTQADSA-N 0 0 450.970 4.914 20 30 JJEDRN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)NC(=O)OC(C)(C)C)cc1 ZINC001444512155 1066471090 /nfs/dbraw/zinc/47/10/90/1066471090.db2.gz SEQZIOHFXRIHNF-JOCHJYFZSA-N 0 0 450.583 4.550 20 30 JJEDRN CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001456017663 1066475780 /nfs/dbraw/zinc/47/57/80/1066475780.db2.gz HFZHUCSHKPXWTO-UHFFFAOYSA-N 0 0 451.567 4.855 20 30 JJEDRN Cc1ccc(-c2nc(CCn3c(-c4ccc(Cl)nc4)nnc3N(C)C[C@@H](C)C#N)co2)cc1 ZINC001361167477 1066480562 /nfs/dbraw/zinc/48/05/62/1066480562.db2.gz RKOAGUGGBKKSQW-KRWDZBQOSA-N 0 0 461.957 4.796 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2noc3c2CCCC3)cc1Br ZINC001361169332 1066482752 /nfs/dbraw/zinc/48/27/52/1066482752.db2.gz BJPCMXTUUKUXCK-HNNXBMFYSA-N 0 0 469.387 4.670 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361169437 1066482800 /nfs/dbraw/zinc/48/28/00/1066482800.db2.gz DSZQAHRGUQBGQC-PKOBYXMFSA-N 0 0 456.591 4.765 20 30 JJEDRN Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)c2ccccn2)cc1Br ZINC001361175954 1066493882 /nfs/dbraw/zinc/49/38/82/1066493882.db2.gz ZHJCECGUXITLIS-MRXNPFEDSA-N 0 0 467.415 4.985 20 30 JJEDRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(COc3ccccc3C#N)c2)cc1 ZINC001456055561 1066495908 /nfs/dbraw/zinc/49/59/08/1066495908.db2.gz YWTBBNVKQKDQPW-HSZRJFAPSA-N 0 0 457.555 4.600 20 30 JJEDRN C=CCn1c(SCC(=O)NC[C@@H](C)Oc2ccccc2C)nnc1-c1ccc(Cl)cc1 ZINC001361180335 1066500608 /nfs/dbraw/zinc/50/06/08/1066500608.db2.gz VOYWELRSINILEY-QGZVFWFLSA-N 0 0 456.999 4.769 20 30 JJEDRN CC1(C(=O)N2CC[C@H](COCc3ccccc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001444808741 1066507175 /nfs/dbraw/zinc/50/71/75/1066507175.db2.gz WZYILUTUJDJDBQ-NRFANRHFSA-N 0 0 451.998 4.883 20 30 JJEDRN Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2Cc2ncccc2N(C)C)cc1Br ZINC001361191513 1066518081 /nfs/dbraw/zinc/51/80/81/1066518081.db2.gz VZVOXRLHNNKECG-UHFFFAOYSA-N 0 0 494.441 4.655 20 30 JJEDRN CC[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)OC ZINC001545971170 1066525657 /nfs/dbraw/zinc/52/56/57/1066525657.db2.gz SSKXAORSRREZIR-GFCCVEGCSA-N 0 0 454.390 4.830 20 30 JJEDRN C=C(C)Cn1c(SCC(=O)N[C@H](c2nccs2)c2ccccc2)nnc1-c1ccco1 ZINC001456178556 1066530509 /nfs/dbraw/zinc/53/05/09/1066530509.db2.gz MDMVUFRUSDDARC-IBGZPJMESA-N 0 0 451.577 4.569 20 30 JJEDRN Cc1noc(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CC#N)CC1 ZINC001361204279 1066534744 /nfs/dbraw/zinc/53/47/44/1066534744.db2.gz RKABDFHRCXUKQB-UHFFFAOYSA-N 0 0 469.387 4.799 20 30 JJEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1 ZINC001445111652 1066540068 /nfs/dbraw/zinc/54/00/68/1066540068.db2.gz POKBQYLBQMFKAV-UNMCSNQZSA-N 0 0 451.617 4.789 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCC[C@@H]2C)cc1Br ZINC001361211791 1066545576 /nfs/dbraw/zinc/54/55/76/1066545576.db2.gz AKFLJCLEMCVWAO-JJEOQYAHSA-N 0 0 472.431 4.697 20 30 JJEDRN Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2ccncc2)cc1Br ZINC001361212575 1066547286 /nfs/dbraw/zinc/54/72/86/1066547286.db2.gz NRAKHEYVWYKHSI-HSZRJFAPSA-N 0 0 465.399 4.784 20 30 JJEDRN C#CCN(C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1)[C@H]1CCCc2ccccc21 ZINC001456264994 1066549400 /nfs/dbraw/zinc/54/94/00/1066549400.db2.gz DTQQUTGGURVPJR-QFIPXVFZSA-N 0 0 450.995 4.861 20 30 JJEDRN C#CCN(C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1)[C@@H]1CCCc2ccccc21 ZINC001456264985 1066549425 /nfs/dbraw/zinc/54/94/25/1066549425.db2.gz DTQQUTGGURVPJR-JOCHJYFZSA-N 0 0 450.995 4.861 20 30 JJEDRN C=CC[C@]1(C(=O)NCCCc2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C ZINC001456300109 1066557793 /nfs/dbraw/zinc/55/77/93/1066557793.db2.gz PWKJQNAKFRGIBV-JOCHJYFZSA-N 0 0 451.405 4.844 20 30 JJEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)ccc1OC ZINC001456298910 1066557863 /nfs/dbraw/zinc/55/78/63/1066557863.db2.gz BAUNHLADQGEZPH-AVRDEDQJSA-N 0 0 459.546 4.850 20 30 JJEDRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361236737 1066577280 /nfs/dbraw/zinc/57/72/80/1066577280.db2.gz KLDTYGAQVXZIBS-FQEVSTJZSA-N 0 0 472.515 4.944 20 30 JJEDRN N#Cc1ccc(-n2nccc2NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC001456442052 1066587366 /nfs/dbraw/zinc/58/73/66/1066587366.db2.gz IBWFHKQPPYABRR-UHFFFAOYSA-N 0 0 454.330 4.799 20 30 JJEDRN C#CCN(C(=O)c1ccc(NC(=O)OCC)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456452317 1066590907 /nfs/dbraw/zinc/59/09/07/1066590907.db2.gz YASAPRBFZUPPBC-LJQANCHMSA-N 0 0 457.324 4.617 20 30 JJEDRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001456482647 1066595162 /nfs/dbraw/zinc/59/51/62/1066595162.db2.gz AAIXVXCHMBWACR-SANMLTNESA-N 0 0 451.567 4.806 20 30 JJEDRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001456482582 1066595368 /nfs/dbraw/zinc/59/53/68/1066595368.db2.gz AAIXVXCHMBWACR-AREMUKBSSA-N 0 0 451.567 4.806 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(Br)cn2)s1 ZINC001361250054 1066595648 /nfs/dbraw/zinc/59/56/48/1066595648.db2.gz PARNZMPTHZZUEI-UHFFFAOYSA-N 0 0 496.438 4.872 20 30 JJEDRN Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2(C)C)o1 ZINC001361260924 1066610375 /nfs/dbraw/zinc/61/03/75/1066610375.db2.gz AMKWHNKRTMVEPI-IBGZPJMESA-N 0 0 451.596 4.798 20 30 JJEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCC[C@H]3c3ccc(F)cc3F)C2)C1 ZINC001445774838 1066615218 /nfs/dbraw/zinc/61/52/18/1066615218.db2.gz BRLJESBXYQLDTN-FISRNRQLSA-N 0 0 459.537 4.805 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001456574306 1066629517 /nfs/dbraw/zinc/62/95/17/1066629517.db2.gz NDTPSKNNHSHUHB-ROUUACIJSA-N 0 0 452.979 4.530 20 30 JJEDRN Cc1ccc(C(=O)CCC(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1C ZINC001456586890 1066633821 /nfs/dbraw/zinc/63/38/21/1066633821.db2.gz JWUXNJJSZFAUTN-OKILXGFUSA-N 0 0 457.361 4.896 20 30 JJEDRN COc1ccc(C[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2ccccc2)cc1OC ZINC001361284112 1066642201 /nfs/dbraw/zinc/64/22/01/1066642201.db2.gz MHFUUDRHRLQVIB-LJQANCHMSA-N 0 0 455.436 4.703 20 30 JJEDRN C#Cc1ccc(NC(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)c(Cl)c1 ZINC001456613788 1066644370 /nfs/dbraw/zinc/64/43/70/1066644370.db2.gz NRLKQXDSIJIDEZ-AWEZNQCLSA-N 0 0 451.695 4.977 20 30 JJEDRN N#Cc1cc(NC(=O)CCCCc2ccc(Br)cc2)ccc1N1CCC(O)CC1 ZINC001446026606 1066647181 /nfs/dbraw/zinc/64/71/81/1066647181.db2.gz VTJQUTQNAUVAIA-UHFFFAOYSA-N 0 0 456.384 4.633 20 30 JJEDRN N#Cc1cccc(OCc2ccoc2C(=O)N2CC(Cc3ccc(Br)cc3)C2)c1 ZINC001456622891 1066648467 /nfs/dbraw/zinc/64/84/67/1066648467.db2.gz ADMBSQZHAFDQOK-UHFFFAOYSA-N 0 0 451.320 4.807 20 30 JJEDRN CC#CCS(=O)(=O)c1cccc(C(=O)NC(CCc2ccccc2)CCc2ccccc2)c1 ZINC001446070553 1066654733 /nfs/dbraw/zinc/65/47/33/1066654733.db2.gz JHZXHJLASARJFP-UHFFFAOYSA-N 0 0 459.611 4.848 20 30 JJEDRN Cc1ccccc1OCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC#N ZINC001492603005 1066659647 /nfs/dbraw/zinc/65/96/47/1066659647.db2.gz YTTNNWGPFOWBIN-HNNXBMFYSA-N 0 0 460.401 4.895 20 30 JJEDRN Cc1cccnc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 ZINC001492603375 1066660059 /nfs/dbraw/zinc/66/00/59/1066660059.db2.gz KVNRIUKXCJQIEM-SFHVURJKSA-N 0 0 450.974 4.953 20 30 JJEDRN Cc1cccnc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 ZINC001492603374 1066660086 /nfs/dbraw/zinc/66/00/86/1066660086.db2.gz KVNRIUKXCJQIEM-GOSISDBHSA-N 0 0 450.974 4.953 20 30 JJEDRN CC[C@@H](Cn1c(C2CC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545982022 1066668173 /nfs/dbraw/zinc/66/81/73/1066668173.db2.gz GBQVHEZTOSVOLQ-QFIPXVFZSA-N 0 0 462.598 4.624 20 30 JJEDRN CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccc(Br)s2)CC1 ZINC001492619994 1066688576 /nfs/dbraw/zinc/68/85/76/1066688576.db2.gz RBXROVBEDGEMCT-UHFFFAOYSA-N 0 0 484.423 4.952 20 30 JJEDRN Cc1cn2c(n1)[C@H](Cn1c([C@@H](C)Oc3cccc(C)c3C)nnc1N(C)[C@H](C)CC#N)CCC2 ZINC001492628469 1066699170 /nfs/dbraw/zinc/69/91/70/1066699170.db2.gz GIKTYDRGJDYPQK-FCEUIQTBSA-N 0 0 461.614 4.856 20 30 JJEDRN Cc1cnc([C@@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)s1 ZINC001492629659 1066701871 /nfs/dbraw/zinc/70/18/71/1066701871.db2.gz FWKQRHFCZFZUKO-RDJZCZTQSA-N 0 0 454.575 4.866 20 30 JJEDRN C=CCC[C@@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)c1ccccc1 ZINC001446507452 1066712161 /nfs/dbraw/zinc/71/21/61/1066712161.db2.gz VCKYDZNIYLLKQT-NHCUHLMSSA-N 0 0 453.587 4.678 20 30 JJEDRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)s1 ZINC001492633370 1066713986 /nfs/dbraw/zinc/71/39/86/1066713986.db2.gz YWGNYVCGVFSCHW-OAHLLOKOSA-N 0 0 472.565 4.779 20 30 JJEDRN Cc1coc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001492634519 1066717164 /nfs/dbraw/zinc/71/71/64/1066717164.db2.gz QHAIYWHHEBRODQ-UHFFFAOYSA-N 0 0 490.608 4.959 20 30 JJEDRN N#Cc1ccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)cc1C#N ZINC001456925969 1066724034 /nfs/dbraw/zinc/72/40/34/1066724034.db2.gz SDFQJWSOXBWOPK-UHFFFAOYSA-N 0 0 459.303 4.626 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@@H](C)C#N)n1 ZINC001492638043 1066725505 /nfs/dbraw/zinc/72/55/05/1066725505.db2.gz CIURKKVSZSQJJK-GJZGRUSLSA-N 0 0 489.443 4.784 20 30 JJEDRN Cc1csc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@](C)(C#N)C2)n1 ZINC001492638087 1066725558 /nfs/dbraw/zinc/72/55/58/1066725558.db2.gz CSFJVAHBEOIUBK-GSONXBCMSA-N 0 0 499.685 4.748 20 30 JJEDRN O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001446615738 1066726049 /nfs/dbraw/zinc/72/60/49/1066726049.db2.gz NCSZUTHIWGQMSH-LBPRGKRZSA-N 0 0 455.292 4.751 20 30 JJEDRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC001456942938 1066726891 /nfs/dbraw/zinc/72/68/91/1066726891.db2.gz FAUGXDHWRUMEIB-UHFFFAOYSA-N 0 0 459.449 4.654 20 30 JJEDRN Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)C)C2)n1 ZINC001492639066 1066728219 /nfs/dbraw/zinc/72/82/19/1066728219.db2.gz MWYNYCNKDBFOKN-YLJYHZDGSA-N 0 0 450.612 4.780 20 30 JJEDRN CON1CCC(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC001446642559 1066728302 /nfs/dbraw/zinc/72/83/02/1066728302.db2.gz KALPHTBGWJGLBA-ZDUSSCGKSA-N 0 0 452.317 4.717 20 30 JJEDRN Cc1csc([C@@H](C)Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)n1 ZINC001492640555 1066731723 /nfs/dbraw/zinc/73/17/23/1066731723.db2.gz YKJCTHGSFGSGEQ-FXAWDEMLSA-N 0 0 499.685 4.701 20 30 JJEDRN Cc1csc([C@H](C)Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)n1 ZINC001492640558 1066731755 /nfs/dbraw/zinc/73/17/55/1066731755.db2.gz YKJCTHGSFGSGEQ-YLJYHZDGSA-N 0 0 499.685 4.701 20 30 JJEDRN CCCc1c(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cnn1-c1cccc(F)c1 ZINC001446757481 1066736417 /nfs/dbraw/zinc/73/64/17/1066736417.db2.gz RTBHLAOMVSCJOR-LJQANCHMSA-N 0 0 457.550 4.880 20 30 JJEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn3cc(Br)cnc23)cc1F ZINC001457009411 1066741148 /nfs/dbraw/zinc/74/11/48/1066741148.db2.gz KOEGESQWMRLMJP-UHFFFAOYSA-N 0 0 452.243 4.547 20 30 JJEDRN Cc1csc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(C)(C#N)CC2)n1 ZINC001492649426 1066756433 /nfs/dbraw/zinc/75/64/33/1066756433.db2.gz BWRZAQLZTFLZJS-UHFFFAOYSA-N 0 0 475.391 4.790 20 30 JJEDRN Cc1cscc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001492655123 1066765159 /nfs/dbraw/zinc/76/51/59/1066765159.db2.gz CQSHJFPWABILQI-UHFFFAOYSA-N 0 0 473.606 4.697 20 30 JJEDRN Cc1nc(C)c(CCn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@](F)(C#N)C2)s1 ZINC001492655392 1066766310 /nfs/dbraw/zinc/76/63/10/1066766310.db2.gz PRRAAGXIVPYIRY-FQEVSTJZSA-N 0 0 493.381 4.605 20 30 JJEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC001457135899 1066770170 /nfs/dbraw/zinc/77/01/70/1066770170.db2.gz FDBOIAAAPCAJRP-DNQXCXABSA-N 0 0 457.640 4.622 20 30 JJEDRN C[C@H](C#N)CN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)C1CC1 ZINC001447070230 1066771395 /nfs/dbraw/zinc/77/13/95/1066771395.db2.gz MIVLDDPSRNLETL-LJQANCHMSA-N 0 0 459.571 4.919 20 30 JJEDRN N#Cc1cccc([C@@H]2CN(C(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)CCO2)c1 ZINC001447224814 1066783327 /nfs/dbraw/zinc/78/33/27/1066783327.db2.gz UGHPEOBRDKPGDP-NRFANRHFSA-N 0 0 452.436 4.929 20 30 JJEDRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)cs1 ZINC001492665457 1066787196 /nfs/dbraw/zinc/78/71/96/1066787196.db2.gz JFSDRSFAPUEPET-UHFFFAOYSA-N 0 0 456.566 4.967 20 30 JJEDRN CC[C@H](C#N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001447365591 1066799576 /nfs/dbraw/zinc/79/95/76/1066799576.db2.gz UNGZTQGVUOHKQX-VLIAUNLRSA-N 0 0 458.349 4.626 20 30 JJEDRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2c1 ZINC001447479502 1066813387 /nfs/dbraw/zinc/81/33/87/1066813387.db2.gz DWINHJAKUHBFQP-CYFREDJKSA-N 0 0 456.546 4.699 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)Sc2ccccc2)cs1 ZINC001492676772 1066814364 /nfs/dbraw/zinc/81/43/64/1066814364.db2.gz OGFPQJRZVOGBSQ-GAJHUEQPSA-N 0 0 452.653 4.945 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)Sc2ccccc2)cs1 ZINC001492676775 1066814416 /nfs/dbraw/zinc/81/44/16/1066814416.db2.gz OGFPQJRZVOGBSQ-UZUQRXQVSA-N 0 0 452.653 4.945 20 30 JJEDRN Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cs1 ZINC001492678372 1066818283 /nfs/dbraw/zinc/81/82/83/1066818283.db2.gz JAEWILYQGXUABB-RQBNJVACSA-N 0 0 470.687 4.994 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(I)c1C ZINC001447535795 1066819717 /nfs/dbraw/zinc/81/97/17/1066819717.db2.gz TTWGEBHNAALFPM-INIZCTEOSA-N 0 0 458.340 4.788 20 30 JJEDRN COc1cc(C#N)ccc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447578314 1066824952 /nfs/dbraw/zinc/82/49/52/1066824952.db2.gz NMYAMPVPEMCOIM-JOCHJYFZSA-N 0 0 454.448 4.962 20 30 JJEDRN Cc1nc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)cs1 ZINC001492687430 1066832633 /nfs/dbraw/zinc/83/26/33/1066832633.db2.gz XIADEWISQNQJQH-QMHKHESXSA-N 0 0 454.575 4.695 20 30 JJEDRN Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)s1 ZINC001492695529 1066842848 /nfs/dbraw/zinc/84/28/48/1066842848.db2.gz DZQIBJSEBVRSHH-UHFFFAOYSA-N 0 0 475.525 4.742 20 30 JJEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cnc4c(C)cc(C)cc4c3O)c2)c1 ZINC001457508767 1066846555 /nfs/dbraw/zinc/84/65/55/1066846555.db2.gz IGPGGYPJDOZIHH-UHFFFAOYSA-N 0 0 450.494 4.584 20 30 JJEDRN Cc1ncc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@](F)(C#N)C2)s1 ZINC001492701178 1066857865 /nfs/dbraw/zinc/85/78/65/1066857865.db2.gz YSZZQTNOZURUPA-QHCPKHFHSA-N 0 0 454.575 4.625 20 30 JJEDRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001457566601 1066864142 /nfs/dbraw/zinc/86/41/42/1066864142.db2.gz LCRRBPBYFOWIAD-RUZDIDTESA-N 0 0 456.542 4.820 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccccc1 ZINC001546092138 1066870308 /nfs/dbraw/zinc/87/03/08/1066870308.db2.gz JPPCWQKXEDXYJM-FQEVSTJZSA-N 0 0 451.914 4.602 20 30 JJEDRN Cc1cc(C(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)nn1-c1cccc(C#N)c1 ZINC001457580904 1066870859 /nfs/dbraw/zinc/87/08/59/1066870859.db2.gz SNJUSCAPOKLANZ-GOSISDBHSA-N 0 0 459.550 4.568 20 30 JJEDRN Cc1nccn1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492709101 1066873038 /nfs/dbraw/zinc/87/30/38/1066873038.db2.gz XTVFKUBRZCDWPI-UHFFFAOYSA-N 0 0 459.598 4.507 20 30 JJEDRN C=C(C)[C@H](NC(=O)CCN1C(=S)N=NC1c1ccc(OCC)cc1)c1ccc(F)c(F)c1 ZINC001447972697 1066885663 /nfs/dbraw/zinc/88/56/63/1066885663.db2.gz MVCLTAUWQUMGEG-NRFANRHFSA-N 0 0 458.534 4.734 20 30 JJEDRN Cc1nc(C)n([C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCCC(C)(C)C)C2)n1 ZINC001492731012 1066901607 /nfs/dbraw/zinc/90/16/07/1066901607.db2.gz JOTOKDWEUOMJHJ-QFIPXVFZSA-N 0 0 476.629 4.605 20 30 JJEDRN Cc1ccc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)c(OC[C@@H]2CCCO2)c1 ZINC001457754327 1066912720 /nfs/dbraw/zinc/91/27/20/1066912720.db2.gz LPRDJGSXXPPQRF-VWLOTQADSA-N 0 0 456.542 4.934 20 30 JJEDRN N#Cc1ccc(NC2CC2)c(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 ZINC001448360570 1066919895 /nfs/dbraw/zinc/91/98/95/1066919895.db2.gz ZPJPFERNCSBQOR-HSZRJFAPSA-N 0 0 455.518 4.663 20 30 JJEDRN N#Cc1ccc(Oc2ccc(C(=O)N3CCc4c(F)cc(Br)cc4C3)cc2)nc1 ZINC001457790675 1066921900 /nfs/dbraw/zinc/92/19/00/1066921900.db2.gz SAOHFOFHROONBW-UHFFFAOYSA-N 0 0 452.283 4.846 20 30 JJEDRN C[C@](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)(C(N)=O)c1cccc(Cl)c1 ZINC001457798831 1066923128 /nfs/dbraw/zinc/92/31/28/1066923128.db2.gz FRJBLCIFSKWMIC-HSZRJFAPSA-N 0 0 454.313 4.788 20 30 JJEDRN C=CC[C@]1(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CCCN1C(=O)OC(C)(C)C ZINC001457879365 1066934947 /nfs/dbraw/zinc/93/49/47/1066934947.db2.gz UJHUMGNSQFXDJN-UPCLLVRISA-N 0 0 458.534 4.707 20 30 JJEDRN O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001457883137 1066935682 /nfs/dbraw/zinc/93/56/82/1066935682.db2.gz YTGBDRSSYMFRTQ-UHFFFAOYSA-N 0 0 458.280 4.623 20 30 JJEDRN Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCc2nnc(C)s2)c(C)n1-c1ccccc1 ZINC001492765741 1066937737 /nfs/dbraw/zinc/93/77/37/1066937737.db2.gz PWSGTIHOEYZBRI-QGZVFWFLSA-N 0 0 474.638 4.884 20 30 JJEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001448577247 1066939909 /nfs/dbraw/zinc/93/99/09/1066939909.db2.gz MULWVGYIYOETRU-DYESRHJHSA-N 0 0 457.596 4.792 20 30 JJEDRN O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001457987751 1066952842 /nfs/dbraw/zinc/95/28/42/1066952842.db2.gz ZBBZFHLKSRILHF-INIZCTEOSA-N 0 0 458.139 4.527 20 30 JJEDRN COc1ccccc1C[C@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC001448718096 1066953146 /nfs/dbraw/zinc/95/31/46/1066953146.db2.gz KCBSBXNQYLKSCF-SFHVURJKSA-N 0 0 459.571 4.659 20 30 JJEDRN CC1(C#N)CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)C1 ZINC001448725893 1066954293 /nfs/dbraw/zinc/95/42/93/1066954293.db2.gz XSMRFWVOMVAKEW-UHFFFAOYSA-N 0 0 458.374 4.705 20 30 JJEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001448773656 1066956560 /nfs/dbraw/zinc/95/65/60/1066956560.db2.gz DMAIEIJRXYJYFX-TZIWHRDSSA-N 0 0 454.546 4.576 20 30 JJEDRN C=CCn1c(SCC(=O)NC2(CC)CCOCC2)nnc1-c1ccc(Cl)cc1Cl ZINC001458024742 1066957963 /nfs/dbraw/zinc/95/79/63/1066957963.db2.gz VLZRGBGVVASADW-UHFFFAOYSA-N 0 0 455.411 4.605 20 30 JJEDRN N#CC1(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)CCSCC1 ZINC001458044485 1066959837 /nfs/dbraw/zinc/95/98/37/1066959837.db2.gz PKXGHVPKFPTXRS-UHFFFAOYSA-N 0 0 457.024 4.736 20 30 JJEDRN Cc1c(Br)ccc(F)c1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448827267 1066960256 /nfs/dbraw/zinc/96/02/56/1066960256.db2.gz JKEBORDPFKVXRZ-SFHVURJKSA-N 0 0 450.739 4.573 20 30 JJEDRN Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC001448829761 1066960280 /nfs/dbraw/zinc/96/02/80/1066960280.db2.gz MCRVFUYGZVFJTN-RUZDIDTESA-N 0 0 457.961 4.902 20 30 JJEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC001458047813 1066960721 /nfs/dbraw/zinc/96/07/21/1066960721.db2.gz KDNASEQFMYPKBU-MRXNPFEDSA-N 0 0 451.239 4.548 20 30 JJEDRN CC[C@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001545698723 1066964033 /nfs/dbraw/zinc/96/40/33/1066964033.db2.gz LVZNZXPYNALNLM-NZQKXSOJSA-N 0 0 462.642 4.571 20 30 JJEDRN C=CCn1c(Sc2ncc(Cl)c(OCC)n2)nnc1-c1ccc(Br)cc1 ZINC001458088613 1066970993 /nfs/dbraw/zinc/97/09/93/1066970993.db2.gz DYXRDOPIGHXPGP-UHFFFAOYSA-N 0 0 452.765 4.887 20 30 JJEDRN CC[C@H](c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccccc1 ZINC001545719716 1066973453 /nfs/dbraw/zinc/97/34/53/1066973453.db2.gz LECIMUXTRBJWBM-NHFPKVKZSA-N 0 0 492.668 4.919 20 30 JJEDRN O=C(N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001449102044 1066982440 /nfs/dbraw/zinc/98/24/40/1066982440.db2.gz HZOZTQDDUDKFHD-CDCQXCROSA-N 0 0 458.349 4.605 20 30 JJEDRN C=C[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001545727354 1066984227 /nfs/dbraw/zinc/98/42/27/1066984227.db2.gz MFAWOTFDSJOXEA-DWXRJYCRSA-N 0 0 456.542 4.533 20 30 JJEDRN C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)c1ccccc1 ZINC001458137607 1066985419 /nfs/dbraw/zinc/98/54/19/1066985419.db2.gz XUCNZDKDQSQICY-DEOSSOPVSA-N 0 0 454.636 4.836 20 30 JJEDRN C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)c1ccccc1 ZINC001458137634 1066985556 /nfs/dbraw/zinc/98/55/56/1066985556.db2.gz XUCNZDKDQSQICY-XMMPIXPASA-N 0 0 454.636 4.836 20 30 JJEDRN C=CCC[C@H](NC(=O)CCCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC001458137124 1066985571 /nfs/dbraw/zinc/98/55/71/1066985571.db2.gz WFNQTLXCILOEHA-FQEVSTJZSA-N 0 0 450.398 4.827 20 30 JJEDRN C=CC[C@@]1(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)CCCN1C(=O)OC(C)(C)C ZINC001449228543 1066991367 /nfs/dbraw/zinc/99/13/67/1066991367.db2.gz NJFWLQLTWVSCJS-LVXARBLLSA-N 0 0 453.583 4.573 20 30 JJEDRN N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(COC3CCOCC3)cc2)c1 ZINC001458179625 1066998200 /nfs/dbraw/zinc/99/82/00/1066998200.db2.gz FBKGLQSQSJCMEJ-UHFFFAOYSA-N 0 0 456.542 4.763 20 30 JJEDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2ccc(C#N)cc2F)c([N+](=O)[O-])c1 ZINC001458190138 1067000873 /nfs/dbraw/zinc/00/08/73/1067000873.db2.gz OUGATSMDCOTLEX-UHFFFAOYSA-N 0 0 457.508 4.972 20 30 JJEDRN O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cnn(CCF)c1 ZINC001458219040 1067006137 /nfs/dbraw/zinc/00/61/37/1067006137.db2.gz MGSXLKSJNQCDNJ-LBPRGKRZSA-N 0 0 451.264 4.924 20 30 JJEDRN C=CCC1(CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)CCCC1 ZINC001449425847 1067009735 /nfs/dbraw/zinc/00/97/35/1067009735.db2.gz JAHZARGMZUTTHR-SFHVURJKSA-N 0 0 453.446 4.553 20 30 JJEDRN Cc1cc(CSc2ncccc2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)no1 ZINC001458251842 1067012524 /nfs/dbraw/zinc/01/25/24/1067012524.db2.gz CMZBIMMEDCYXET-UHFFFAOYSA-N 0 0 450.911 4.633 20 30 JJEDRN N#Cc1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C2CC2)cc1 ZINC001458253148 1067012835 /nfs/dbraw/zinc/01/28/35/1067012835.db2.gz JPIRSXFSHOYISV-LJQANCHMSA-N 0 0 456.373 4.908 20 30 JJEDRN C[C@H](C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001449575579 1067015619 /nfs/dbraw/zinc/01/56/19/1067015619.db2.gz TYBXCPJMFYKIGR-OXJNMPFZSA-N 0 0 455.580 4.512 20 30 JJEDRN CC[C@@H](c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545746964 1067016089 /nfs/dbraw/zinc/01/60/89/1067016089.db2.gz XPXUGIALVCBSSG-RLWLMLJZSA-N 0 0 466.630 4.865 20 30 JJEDRN C=CCn1c(Sc2cc(C)nc3nc(C(F)(F)F)nn32)nnc1-c1cccc(Cl)c1 ZINC001458269666 1067016848 /nfs/dbraw/zinc/01/68/48/1067016848.db2.gz PTNQGYVKNYQJDQ-UHFFFAOYSA-N 0 0 451.865 4.701 20 30 JJEDRN CC(C)(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC001458279089 1067019961 /nfs/dbraw/zinc/01/99/61/1067019961.db2.gz FELAELDGZOEGKC-QFIPXVFZSA-N 0 0 457.987 4.776 20 30 JJEDRN N#Cc1ccc(C2=CCN(c3nc(C(F)(F)F)ccc3I)CC2)cc1 ZINC001458302523 1067025181 /nfs/dbraw/zinc/02/51/81/1067025181.db2.gz HLLUXIPLWNBPRD-UHFFFAOYSA-N 0 0 455.221 4.870 20 30 JJEDRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC001546017078 1067025961 /nfs/dbraw/zinc/02/59/61/1067025961.db2.gz OJYHDNCGVSSSSA-HNUDFCBZSA-N 0 0 482.604 4.685 20 30 JJEDRN COc1ccccc1-c1nc(C2CCN(c3ccc(C#N)c(Br)c3F)CC2)no1 ZINC001458312958 1067027046 /nfs/dbraw/zinc/02/70/46/1067027046.db2.gz FKDLTYFNSHVHOM-UHFFFAOYSA-N 0 0 457.303 4.902 20 30 JJEDRN Cc1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)nn1-c1ccc(Cl)cc1Cl ZINC001458338766 1067034358 /nfs/dbraw/zinc/03/43/58/1067034358.db2.gz DDUQZXBKTMROBT-HNNXBMFYSA-N 0 0 458.324 4.963 20 30 JJEDRN N#Cc1ccc(OC2CCN(c3c4ccc(Br)cc4ncc3[N+](=O)[O-])CC2)cc1 ZINC001458354225 1067041045 /nfs/dbraw/zinc/04/10/45/1067041045.db2.gz HACAOKWKIVEDLE-UHFFFAOYSA-N 0 0 453.296 4.825 20 30 JJEDRN Cc1cc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)nn1-c1cccc(C#N)c1 ZINC001450143513 1067053889 /nfs/dbraw/zinc/05/38/89/1067053889.db2.gz KQUIMMJLDISWKS-AOMKIAJQSA-N 0 0 454.452 4.673 20 30 JJEDRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1)SC ZINC001545769957 1067055965 /nfs/dbraw/zinc/05/59/65/1067055965.db2.gz QCLXEHDMHUSFMI-JOCHJYFZSA-N 0 0 482.698 4.669 20 30 JJEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)cc1C ZINC001450203193 1067060227 /nfs/dbraw/zinc/06/02/27/1067060227.db2.gz URKMEVQWNIVXGJ-IBGZPJMESA-N 0 0 453.587 4.504 20 30 JJEDRN C=CC1(CC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001450251174 1067064319 /nfs/dbraw/zinc/06/43/19/1067064319.db2.gz HEHQNILTMBSTST-UHFFFAOYSA-N 0 0 450.461 4.643 20 30 JJEDRN CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)SC ZINC001545774158 1067065032 /nfs/dbraw/zinc/06/50/32/1067065032.db2.gz FXVVDSBWLQUJSI-NRFANRHFSA-N 0 0 482.698 4.727 20 30 JJEDRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C(C)(C)C)sc1C#N)C2=O ZINC001458450896 1067065370 /nfs/dbraw/zinc/06/53/70/1067065370.db2.gz DXLHKUPBTCGUHI-UHFFFAOYSA-N 0 0 458.628 4.773 20 30 JJEDRN C#C[C@@H](NC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 ZINC001450275706 1067068436 /nfs/dbraw/zinc/06/84/36/1067068436.db2.gz SFQASXHGSSSKOA-HXUWFJFHSA-N 0 0 457.368 4.621 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2ccco2)C1)SC ZINC001545775592 1067068642 /nfs/dbraw/zinc/06/86/42/1067068642.db2.gz DOFDGFYLGMWDIP-NRFANRHFSA-N 0 0 451.596 4.909 20 30 JJEDRN CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001545775865 1067069872 /nfs/dbraw/zinc/06/98/72/1067069872.db2.gz NJNVZDRCRGCXDR-QFIPXVFZSA-N 0 0 496.656 4.858 20 30 JJEDRN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001450323484 1067071486 /nfs/dbraw/zinc/07/14/86/1067071486.db2.gz FFJTZJWHSPYSII-MRXNPFEDSA-N 0 0 453.379 4.709 20 30 JJEDRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC001458478893 1067072238 /nfs/dbraw/zinc/07/22/38/1067072238.db2.gz ODAYTNDNBONFKK-FPOVZHCZSA-N 0 0 452.511 4.680 20 30 JJEDRN Cc1nc(COc2cccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)no1 ZINC001458514801 1067078672 /nfs/dbraw/zinc/07/86/72/1067078672.db2.gz INYWYRZFSHTHDZ-DEOSSOPVSA-N 0 0 454.486 4.531 20 30 JJEDRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC001545788071 1067083737 /nfs/dbraw/zinc/08/37/37/1067083737.db2.gz HWOCVOATXLKONK-GOSISDBHSA-N 0 0 472.609 4.687 20 30 JJEDRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNc1nccc(Oc2cccc(C#N)c2)n1 ZINC001458573328 1067090032 /nfs/dbraw/zinc/09/00/32/1067090032.db2.gz QAOPXRSKXIVMHG-OAQYLSRUSA-N 0 0 457.534 4.914 20 30 JJEDRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1)OC ZINC001545792604 1067090487 /nfs/dbraw/zinc/09/04/87/1067090487.db2.gz GNYVNBWQYWEHRL-RUZDIDTESA-N 0 0 489.668 4.676 20 30 JJEDRN FC(F)(F)C(F)(F)OCCN(CCOC(F)(F)C(F)(F)F)c1nc2ccccc2o1 ZINC001458595664 1067092320 /nfs/dbraw/zinc/09/23/20/1067092320.db2.gz YBIFNDMXEQLMBZ-UHFFFAOYSA-N 0 0 458.252 4.978 20 30 JJEDRN N#C[C@H](NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)c1ccc(Cl)c(Cl)c1 ZINC001458616339 1067096446 /nfs/dbraw/zinc/09/64/46/1067096446.db2.gz BXOXMSVMFMZEAJ-INIZCTEOSA-N 0 0 455.132 4.935 20 30 JJEDRN N#C[C@@H](NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)c1ccc(Cl)c(Cl)c1 ZINC001458616342 1067096505 /nfs/dbraw/zinc/09/65/05/1067096505.db2.gz BXOXMSVMFMZEAJ-MRXNPFEDSA-N 0 0 455.132 4.935 20 30 JJEDRN COc1cc([C@@H](C#N)NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)cc(OC)c1OC ZINC001458618527 1067096844 /nfs/dbraw/zinc/09/68/44/1067096844.db2.gz VGZDNOBLDNETSE-OAQYLSRUSA-N 0 0 452.551 4.550 20 30 JJEDRN COc1cc([C@H](C#N)NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)cc(OC)c1OC ZINC001458618524 1067096863 /nfs/dbraw/zinc/09/68/63/1067096863.db2.gz VGZDNOBLDNETSE-NRFANRHFSA-N 0 0 452.551 4.550 20 30 JJEDRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC001458622436 1067097308 /nfs/dbraw/zinc/09/73/08/1067097308.db2.gz IOTGAQGYQVQMAC-JPYJTQIMSA-N 0 0 453.608 4.542 20 30 JJEDRN COc1cccc([C@@H](C#N)NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)c1OC ZINC001458627780 1067098266 /nfs/dbraw/zinc/09/82/66/1067098266.db2.gz RAMHEKXSPQQMAI-JOCHJYFZSA-N 0 0 450.922 4.860 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545798654 1067101768 /nfs/dbraw/zinc/10/17/68/1067101768.db2.gz OVKNIKQHWLDGEA-GOTSBHOMSA-N 0 0 496.656 4.761 20 30 JJEDRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1)OC ZINC001545799016 1067103679 /nfs/dbraw/zinc/10/36/79/1067103679.db2.gz VSRDFKWKYBCTOK-PXNSSMCTSA-N 0 0 466.413 4.822 20 30 JJEDRN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)C3(c4ccc(C#N)cc4)CCCC3)CC2)C1 ZINC001450692801 1067104069 /nfs/dbraw/zinc/10/40/69/1067104069.db2.gz OHSCTBLBGGYCIP-QFIPXVFZSA-N 0 0 451.611 4.866 20 30 JJEDRN N#Cc1cc(F)c(N2CCC[C@@](O)(c3ccc(Br)cc3)C2)cc1Br ZINC001458669361 1067105157 /nfs/dbraw/zinc/10/51/57/1067105157.db2.gz RXDHWYLFYYXFTB-SFHVURJKSA-N 0 0 454.137 4.710 20 30 JJEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001458682010 1067108061 /nfs/dbraw/zinc/10/80/61/1067108061.db2.gz HTYWOTALHVCATN-UHFFFAOYSA-N 0 0 454.437 4.842 20 30 JJEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C)(C)[C@H]2C2CC2)c1 ZINC001450738677 1067113703 /nfs/dbraw/zinc/11/37/03/1067113703.db2.gz FIFPZOKFXZQZPA-JOCHJYFZSA-N 0 0 459.011 4.982 20 30 JJEDRN C=CCn1c(SCC(=O)CCC(=O)OCC)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC001458731871 1067123520 /nfs/dbraw/zinc/12/35/20/1067123520.db2.gz NKXIZIWALCNTBR-UHFFFAOYSA-N 0 0 456.589 4.624 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001458734132 1067124697 /nfs/dbraw/zinc/12/46/97/1067124697.db2.gz NNILMADIXVDCTR-WCXIOVBPSA-N 0 0 459.681 4.754 20 30 JJEDRN C=CCn1c(SCCOc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001458737957 1067126945 /nfs/dbraw/zinc/12/69/45/1067126945.db2.gz VKPJIGFMUOJDIH-CQSZACIVSA-N 0 0 457.577 4.848 20 30 JJEDRN C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CC[C@H](C)C3 ZINC001458744266 1067129593 /nfs/dbraw/zinc/12/95/93/1067129593.db2.gz OBHFFOMQEPOYRB-HNNXBMFYSA-N 0 0 453.633 4.583 20 30 JJEDRN C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC001450843695 1067131145 /nfs/dbraw/zinc/13/11/45/1067131145.db2.gz HUIVZOFPIVFTLH-HXUWFJFHSA-N 0 0 459.354 4.899 20 30 JJEDRN N#Cc1ccnc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)c1 ZINC001458757048 1067132880 /nfs/dbraw/zinc/13/28/80/1067132880.db2.gz WVCKKORTPNEEIS-UHFFFAOYSA-N 0 0 458.513 4.831 20 30 JJEDRN N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3Cl)CC2=O)cc1 ZINC001458795807 1067150055 /nfs/dbraw/zinc/15/00/55/1067150055.db2.gz FAJKPXSCWCLMOD-LLVKDONJSA-N 0 0 453.123 4.619 20 30 JJEDRN C=CCn1c(S[C@@H](Cc2c(F)cccc2F)C(C)=O)nnc1[C@H]1COc2ccccc2O1 ZINC001458825420 1067158451 /nfs/dbraw/zinc/15/84/51/1067158451.db2.gz HPEIQAOVSDGQLL-RTWAWAEBSA-N 0 0 457.502 4.547 20 30 JJEDRN C=CCn1c(COc2ccccc2F)nnc1S[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001458828504 1067160353 /nfs/dbraw/zinc/16/03/53/1067160353.db2.gz SHMRMZHZUZQIFM-HXUWFJFHSA-N 0 0 456.518 4.609 20 30 JJEDRN N#Cc1cccc(S(=O)(=O)CCSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1 ZINC001458829398 1067160827 /nfs/dbraw/zinc/16/08/27/1067160827.db2.gz XKQUOXHNQYXDRY-UHFFFAOYSA-N 0 0 454.023 4.754 20 30 JJEDRN CCC(CC)c1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)on1 ZINC001545821535 1067161567 /nfs/dbraw/zinc/16/15/67/1067161567.db2.gz FYHFOWSUYJCPLC-IERDGZPVSA-N 0 0 484.988 4.740 20 30 JJEDRN CCC(CC)c1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)on1 ZINC001545821537 1067161660 /nfs/dbraw/zinc/16/16/60/1067161660.db2.gz FYHFOWSUYJCPLC-KKSFZXQISA-N 0 0 484.988 4.740 20 30 JJEDRN COC(=O)Cc1ccc(OC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1 ZINC001458835443 1067164303 /nfs/dbraw/zinc/16/43/03/1067164303.db2.gz HOCDJZNHSSNDKD-UHFFFAOYSA-N 0 0 454.294 4.563 20 30 JJEDRN Cn1cc(CNC(=O)CCCCc2ccc(Br)cc2)c(-c2ccc(C#N)cc2)n1 ZINC001458852079 1067172606 /nfs/dbraw/zinc/17/26/06/1067172606.db2.gz OSEXBXYLTRQIPT-UHFFFAOYSA-N 0 0 451.368 4.750 20 30 JJEDRN CCCCOc1c(Cl)cc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC001458853026 1067173844 /nfs/dbraw/zinc/17/38/44/1067173844.db2.gz QRSKZWBPBJUGHU-UHFFFAOYSA-N 0 0 452.942 4.730 20 30 JJEDRN CC(C)c1ccc(OCc2nnc(SCc3ccc(C#N)cc3Br)n2N)cc1 ZINC001458860417 1067176152 /nfs/dbraw/zinc/17/61/52/1067176152.db2.gz KYAFLEIWCIBJAL-UHFFFAOYSA-N 0 0 458.385 4.621 20 30 JJEDRN C=CCN(CC=C)C(=O)[C@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1CC=C ZINC001458888439 1067187189 /nfs/dbraw/zinc/18/71/89/1067187189.db2.gz OWURZTUHTMXABV-KRWDZBQOSA-N 0 0 451.617 4.992 20 30 JJEDRN CC(=O)Nc1cccc(-n2c(SCc3ccc(C#N)cc3OC(F)F)nnc2C2CC2)c1 ZINC001458897751 1067189646 /nfs/dbraw/zinc/18/96/46/1067189646.db2.gz AIJPPAOBMGGYBN-UHFFFAOYSA-N 0 0 455.490 4.868 20 30 JJEDRN C=CCn1c(S[C@H](C)C(=O)CC(=O)OCC)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC001458899946 1067190225 /nfs/dbraw/zinc/19/02/25/1067190225.db2.gz RDIZTEAEZZAREL-OAHLLOKOSA-N 0 0 456.589 4.622 20 30 JJEDRN CCC(CC)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001545845613 1067197412 /nfs/dbraw/zinc/19/74/12/1067197412.db2.gz MGLKENNQYAIPOG-FUHWJXTLSA-N 0 0 454.541 4.620 20 30 JJEDRN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)c2C1 ZINC001545846252 1067198697 /nfs/dbraw/zinc/19/86/97/1067198697.db2.gz HUOSVWJJTQWELZ-QGZVFWFLSA-N 0 0 458.610 4.658 20 30 JJEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001451973908 1067201798 /nfs/dbraw/zinc/20/17/98/1067201798.db2.gz OTRVYHOMHWGXAF-MRXNPFEDSA-N 0 0 455.436 4.945 20 30 JJEDRN COc1cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c(Br)cc1Br ZINC001458936101 1067202429 /nfs/dbraw/zinc/20/24/29/1067202429.db2.gz XJVYTZZPKADTPG-NSHDSACASA-N 0 0 452.146 4.909 20 30 JJEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC23CC3)c1 ZINC001451987554 1067202295 /nfs/dbraw/zinc/20/22/95/1067202295.db2.gz YBPBFKRDIFDKBB-LJQANCHMSA-N 0 0 451.375 4.657 20 30 JJEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3C(=O)c4ccc(F)cc4C3=O)sc2C1 ZINC001458967513 1067212425 /nfs/dbraw/zinc/21/24/25/1067212425.db2.gz ICVVIGNUHTTZIP-ZDUSSCGKSA-N 0 0 453.539 4.535 20 30 JJEDRN CC(C)S(=O)(=O)c1ccc(C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC001458981800 1067217624 /nfs/dbraw/zinc/21/76/24/1067217624.db2.gz OWCYYRGSGVKCOS-UHFFFAOYSA-N 0 0 458.351 4.801 20 30 JJEDRN N#Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC001458987186 1067220742 /nfs/dbraw/zinc/22/07/42/1067220742.db2.gz WCFTUPMQXMPXQF-UHFFFAOYSA-N 0 0 455.330 4.725 20 30 JJEDRN C=CCn1c(SCc2cccc(Br)c2OC(F)F)nnc1-c1cnccn1 ZINC001458994906 1067223369 /nfs/dbraw/zinc/22/33/69/1067223369.db2.gz LMMIAMAMSAUDSP-UHFFFAOYSA-N 0 0 454.300 4.577 20 30 JJEDRN C=CCN(C(=O)c1ccc(Cl)cc1Br)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001458996590 1067224340 /nfs/dbraw/zinc/22/43/40/1067224340.db2.gz JIKHIXPMTAJFIW-IBGZPJMESA-N 0 0 450.760 4.905 20 30 JJEDRN C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)n[nH]c1=O ZINC001458998966 1067225215 /nfs/dbraw/zinc/22/52/15/1067225215.db2.gz ZVKYEILQURMYGT-UHFFFAOYSA-N 0 0 455.487 4.622 20 30 JJEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC001459001711 1067226335 /nfs/dbraw/zinc/22/63/35/1067226335.db2.gz QUGQKEAUSIWQJQ-LJQANCHMSA-N 0 0 456.518 4.527 20 30 JJEDRN CCOc1ccc([C@@]2(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)CC2(Cl)Cl)cc1 ZINC001452492168 1067227795 /nfs/dbraw/zinc/22/77/95/1067227795.db2.gz VDMKNQFDFXPHGU-NFBKMPQASA-N 0 0 458.389 4.510 20 30 JJEDRN CCOc1ccc([C@]2(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)CC2(Cl)Cl)cc1 ZINC001452492199 1067227803 /nfs/dbraw/zinc/22/78/03/1067227803.db2.gz VDMKNQFDFXPHGU-REWPJTCUSA-N 0 0 458.389 4.510 20 30 JJEDRN Cc1cc(C(=O)Cn2c(C)c(Br)cc(C#N)c2=O)c(C)n1[C@@H](C)c1ccccc1 ZINC001459027579 1067232229 /nfs/dbraw/zinc/23/22/29/1067232229.db2.gz RQSTUSBHMYTGNK-HNNXBMFYSA-N 0 0 452.352 4.701 20 30 JJEDRN Cc1cc(C(=O)Cn2c(C)c(Br)cc(C#N)c2=O)c(C)n1[C@H](C)c1ccccc1 ZINC001459027592 1067232358 /nfs/dbraw/zinc/23/23/58/1067232358.db2.gz RQSTUSBHMYTGNK-OAHLLOKOSA-N 0 0 452.352 4.701 20 30 JJEDRN CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001546041718 1067240334 /nfs/dbraw/zinc/24/03/34/1067240334.db2.gz LTSKWDKDYJEKDF-OAQYLSRUSA-N 0 0 451.596 4.683 20 30 JJEDRN C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H]3CCCc4c(OC)ccc(Cl)c43)[nH]n2)c1C ZINC001452767973 1067250021 /nfs/dbraw/zinc/25/00/21/1067250021.db2.gz NVQPGKQBGMYUNI-HXUWFJFHSA-N 0 0 453.974 4.888 20 30 JJEDRN C=CCN(C(=O)Cn1cc([N+](=O)[O-])c(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459103566 1067251189 /nfs/dbraw/zinc/25/11/89/1067251189.db2.gz CPKRDOMRDKOTNA-UHFFFAOYSA-N 0 0 452.323 4.749 20 30 JJEDRN N#C[C@@]1(NC(=O)c2ccc(COc3cccc(Br)c3)o2)CCc2ccccc2C1 ZINC001459135731 1067258403 /nfs/dbraw/zinc/25/84/03/1067258403.db2.gz SOGORLKSJXWNOA-HSZRJFAPSA-N 0 0 451.320 4.802 20 30 JJEDRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)O1 ZINC001546045663 1067260190 /nfs/dbraw/zinc/26/01/90/1067260190.db2.gz REFCYQKYLVNCEV-OUIFVKKZSA-N 0 0 464.614 4.625 20 30 JJEDRN CCOc1ccc(N(CCC#N)C(=O)COc2ccc3cccnc3c2Br)cc1 ZINC001459178518 1067266619 /nfs/dbraw/zinc/26/66/19/1067266619.db2.gz DNIIIAYOHZIOGE-UHFFFAOYSA-N 0 0 454.324 4.722 20 30 JJEDRN CCCCn1c(CSc2c(C)cccc2C#N)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459235078 1067275153 /nfs/dbraw/zinc/27/51/53/1067275153.db2.gz FAVYQGORSUYCGQ-UHFFFAOYSA-N 0 0 459.575 4.619 20 30 JJEDRN C=CCCC(=O)Nc1ccc(COC(=O)c2cn(-c3ccc(Br)cc3)cn2)cc1 ZINC001459265452 1067279290 /nfs/dbraw/zinc/27/92/90/1067279290.db2.gz ONLVXSYLJPQWBM-UHFFFAOYSA-N 0 0 454.324 4.897 20 30 JJEDRN C=CCCC(=O)Nc1ccc(COC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)cc1 ZINC001459271215 1067280518 /nfs/dbraw/zinc/28/05/18/1067280518.db2.gz ZPHWOSMSNWCRCS-UHFFFAOYSA-N 0 0 451.473 4.901 20 30 JJEDRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001459276708 1067281334 /nfs/dbraw/zinc/28/13/34/1067281334.db2.gz CMCVXLBIBZITEZ-UHFFFAOYSA-N 0 0 455.301 4.818 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)O1 ZINC001546048185 1067286341 /nfs/dbraw/zinc/28/63/41/1067286341.db2.gz JEQBOTHEHUDYRB-AJFLCOCNSA-N 0 0 494.640 4.515 20 30 JJEDRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)O1 ZINC001546048499 1067288789 /nfs/dbraw/zinc/28/87/89/1067288789.db2.gz NADYGBMHMLDNJQ-AUSIDOKSSA-N 0 0 487.530 4.553 20 30 JJEDRN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC001459307136 1067289175 /nfs/dbraw/zinc/28/91/75/1067289175.db2.gz FGVHQAHAJKUJTE-UHFFFAOYSA-N 0 0 455.562 4.697 20 30 JJEDRN COc1cccc(Nc2ccc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)nc2)c1 ZINC001453492433 1067309561 /nfs/dbraw/zinc/30/95/61/1067309561.db2.gz KUPULAUOBYTRBZ-UHFFFAOYSA-N 0 0 450.502 4.965 20 30 JJEDRN C=CCn1c(SCC(=O)N2CC[C@H](OC)C[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl ZINC001459411209 1067316158 /nfs/dbraw/zinc/31/61/58/1067316158.db2.gz XTUYRWKDFSKJJM-ZFWWWQNUSA-N 0 0 455.411 4.556 20 30 JJEDRN C=CCN(C(=O)CN1CCCC[C@H]1[C@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455099 1067327749 /nfs/dbraw/zinc/32/77/49/1067327749.db2.gz QXHFOWQVSCISDP-LIRRHRJNSA-N 0 0 454.423 4.871 20 30 JJEDRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccccc2CC#N)[C@@H](c2ccccc2Cl)C1 ZINC001459460049 1067329651 /nfs/dbraw/zinc/32/96/51/1067329651.db2.gz AMFMDAQOUKJTPQ-JOCHJYFZSA-N 0 0 453.970 4.769 20 30 JJEDRN C#CCN(Cc1ncc(Br)cc1F)[C@@H]1CCOc2ccc(Br)cc21 ZINC001459518231 1067342956 /nfs/dbraw/zinc/34/29/56/1067342956.db2.gz VDPYMFIDMFUGMS-QGZVFWFLSA-N 0 0 454.137 4.705 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC)c1ccc(Cl)c(F)c1 ZINC001459523477 1067344128 /nfs/dbraw/zinc/34/41/28/1067344128.db2.gz ULKBSSNCWBCTJO-UHFFFAOYSA-N 0 0 455.711 4.944 20 30 JJEDRN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC001459523265 1067344256 /nfs/dbraw/zinc/34/42/56/1067344256.db2.gz FAJXHQHTOVQDQB-AOYPEHQESA-N 0 0 452.558 4.958 20 30 JJEDRN N#Cc1cc(NC(=O)c2cc(Br)cnc2OCC2CC2)ccc1OC(F)(F)F ZINC001459534731 1067347130 /nfs/dbraw/zinc/34/71/30/1067347130.db2.gz ROMANHFVJNNKBF-UHFFFAOYSA-N 0 0 456.218 4.655 20 30 JJEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC001459554298 1067349723 /nfs/dbraw/zinc/34/97/23/1067349723.db2.gz AXYACQPWDRZOBV-FCHUYYIVSA-N 0 0 453.030 4.971 20 30 JJEDRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001459596531 1067360026 /nfs/dbraw/zinc/36/00/26/1067360026.db2.gz VWQUWAJHPPFPKN-IBGZPJMESA-N 0 0 455.514 4.927 20 30 JJEDRN CC(C)CCN(CCC#N)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC001459611632 1067363893 /nfs/dbraw/zinc/36/38/93/1067363893.db2.gz SKOXFCUFZUOJEE-UHFFFAOYSA-N 0 0 456.182 4.622 20 30 JJEDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Oc1ccc(C#N)cc1I ZINC001459647957 1067371593 /nfs/dbraw/zinc/37/15/93/1067371593.db2.gz CXZJZVLZWNCHAC-LLVKDONJSA-N 0 0 459.205 4.966 20 30 JJEDRN Cc1cc(F)ccc1N(Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1cccc(C#N)c1 ZINC001459705329 1067388947 /nfs/dbraw/zinc/38/89/47/1067388947.db2.gz ANWSIBMRUQVAGK-UHFFFAOYSA-N 0 0 453.539 4.590 20 30 JJEDRN C=C(C)CN(Cc1ccccc1)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001459783501 1067419955 /nfs/dbraw/zinc/41/99/55/1067419955.db2.gz AHEMNXQMCXEIFA-UHFFFAOYSA-N 0 0 450.398 4.608 20 30 JJEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001459823974 1067440271 /nfs/dbraw/zinc/44/02/71/1067440271.db2.gz GCRURSYIVFKVFB-OAHLLOKOSA-N 0 0 451.518 4.572 20 30 JJEDRN COC[C@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1cccc(C(F)(F)F)c1 ZINC001459836657 1067446849 /nfs/dbraw/zinc/44/68/49/1067446849.db2.gz QCODPWSFRZGWLI-FQEVSTJZSA-N 0 0 453.892 4.891 20 30 JJEDRN COc1cc(CNC(=O)c2ccccc2OCc2ccc(Br)cc2)ccc1C#N ZINC001459858353 1067460256 /nfs/dbraw/zinc/46/02/56/1067460256.db2.gz WYLKIZAPPWYMNA-UHFFFAOYSA-N 0 0 451.320 4.838 20 30 JJEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC001459896160 1067477677 /nfs/dbraw/zinc/47/76/77/1067477677.db2.gz KULXNBFVZXDEGT-JOCHJYFZSA-N 0 0 455.331 4.626 20 30 JJEDRN C=CCOc1ccc(CC(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1 ZINC001459897043 1067478341 /nfs/dbraw/zinc/47/83/41/1067478341.db2.gz CMEYMWFFPGIQST-NRFANRHFSA-N 0 0 457.412 4.958 20 30 JJEDRN N#Cc1ccc(OC2CCN(C(=O)c3cc(Cl)cc(F)c3Br)CC2)c(F)c1 ZINC001459904077 1067481785 /nfs/dbraw/zinc/48/17/85/1067481785.db2.gz YEHHNQKQOFAXKT-UHFFFAOYSA-N 0 0 455.686 4.936 20 30 JJEDRN C#CCCOc1ccc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1 ZINC001459903900 1067481826 /nfs/dbraw/zinc/48/18/26/1067481826.db2.gz WGJKWQILTJZPTA-OAQYLSRUSA-N 0 0 455.396 4.867 20 30 JJEDRN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001459935311 1067498580 /nfs/dbraw/zinc/49/85/80/1067498580.db2.gz PIPKZDQWPFJCQS-FQRUVTKNSA-N 0 0 458.537 4.827 20 30 JJEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(I)cc1Cl ZINC001459980342 1067514408 /nfs/dbraw/zinc/51/44/08/1067514408.db2.gz NCCLNIQFBNXOJU-UHFFFAOYSA-N 0 0 457.743 4.941 20 30 JJEDRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC001459988812 1067516783 /nfs/dbraw/zinc/51/67/83/1067516783.db2.gz BPBXSJGYXVAEKY-GOSISDBHSA-N 0 0 452.395 4.944 20 30 JJEDRN O[C@H](Cc1ccc(F)cc1)CN1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001460006705 1067524348 /nfs/dbraw/zinc/52/43/48/1067524348.db2.gz YOYFDJINRLLRGB-MOPGFXCFSA-N 0 0 451.382 4.840 20 30 JJEDRN C=CCC1(CNC(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)CCCC1 ZINC001460027205 1067533126 /nfs/dbraw/zinc/53/31/26/1067533126.db2.gz PISLFRBIZBQAKC-UHFFFAOYSA-N 0 0 452.374 4.546 20 30 JJEDRN Cc1ccc(F)c(CCNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 ZINC001460116779 1067558657 /nfs/dbraw/zinc/55/86/57/1067558657.db2.gz POVNUMHNDFAZDL-UHFFFAOYSA-N 0 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COC(=O)[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(OC)cc1 ZINC001460368951 1067620011 /nfs/dbraw/zinc/62/00/11/1067620011.db2.gz MWTVQHQGKODWTD-JOCHJYFZSA-N 0 0 450.878 4.657 20 30 JJEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1Cc2cc(C)ccc2CC1(C)C ZINC001460372083 1067620883 /nfs/dbraw/zinc/62/08/83/1067620883.db2.gz GZDKZUSONJQOPX-UHFFFAOYSA-N 0 0 457.368 4.770 20 30 JJEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)c1 ZINC001460446809 1067636208 /nfs/dbraw/zinc/63/62/08/1067636208.db2.gz LLHLJFRWNHVYMV-MRXNPFEDSA-N 0 0 459.637 4.663 20 30 JJEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)c1 ZINC001460446785 1067636328 /nfs/dbraw/zinc/63/63/28/1067636328.db2.gz LLHLJFRWNHVYMV-INIZCTEOSA-N 0 0 459.637 4.663 20 30 JJEDRN CCCn1c2ccccc2n(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)c1=O ZINC001460476614 1067641354 /nfs/dbraw/zinc/64/13/54/1067641354.db2.gz UUWPNGHPIWGYBP-QGZVFWFLSA-N 0 0 450.608 4.936 20 30 JJEDRN N#Cc1cc(Br)ccc1CC(=O)NCCc1ccc(Br)cc1Cl ZINC001460530318 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/nfs/dbraw/zinc/69/35/29/1067693529.db2.gz SSNGNBUGGIUGMC-UHFFFAOYSA-N 0 0 456.951 4.782 20 30 JJEDRN CC(C)(C)OC(=O)NC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC001460753706 1067716593 /nfs/dbraw/zinc/71/65/93/1067716593.db2.gz ZBBGVJLQCNBVMT-NVXWUHKLSA-N 0 0 450.423 4.692 20 30 JJEDRN C#C[C@H](NC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1ccc(Br)cc1 ZINC001460783116 1067722629 /nfs/dbraw/zinc/72/26/29/1067722629.db2.gz BOHXUYZCFHNFST-SFHVURJKSA-N 0 0 457.349 4.598 20 30 JJEDRN C#C[C@H](NC(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC)c1ccc(Cl)cc1F ZINC001460787380 1067723696 /nfs/dbraw/zinc/72/36/96/1067723696.db2.gz LAWWKZDRPIKOQK-KDOFPFPSSA-N 0 0 453.988 4.634 20 30 JJEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCC[C@H](c4ncccn4)C3)sc2C1 ZINC001460793078 1067724327 /nfs/dbraw/zinc/72/43/27/1067724327.db2.gz JUCQDCGXYZORDY-ROUUACIJSA-N 0 0 451.640 4.769 20 30 JJEDRN N#C[C@@H]1CCC[C@@H](OC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 ZINC001460798706 1067726128 /nfs/dbraw/zinc/72/61/28/1067726128.db2.gz TWIRTBUCBPRSQA-CRAIPNDOSA-N 0 0 456.955 4.957 20 30 JJEDRN COC(=O)[C@]1(NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@H](C)c2ccccc21 ZINC001460972845 1067755142 /nfs/dbraw/zinc/75/51/42/1067755142.db2.gz ZWABVQMBBWBCAM-RPPIVITFSA-N 0 0 451.592 4.575 20 30 JJEDRN N#Cc1cccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c1Br ZINC001461025722 1067764334 /nfs/dbraw/zinc/76/43/34/1067764334.db2.gz OHUOVGLDLIORCB-UHFFFAOYSA-N 0 0 453.193 4.917 20 30 JJEDRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc(C#N)c3Br)c12 ZINC001461026326 1067764419 /nfs/dbraw/zinc/76/44/19/1067764419.db2.gz QEJPJSZUVZEMQM-UHFFFAOYSA-N 0 0 452.337 4.892 20 30 JJEDRN CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnc(C)s2)CCS1 ZINC001546120924 1067764855 /nfs/dbraw/zinc/76/48/55/1067764855.db2.gz DZPVVFMRJLNWAH-UHFFFAOYSA-N 0 0 468.652 4.654 20 30 JJEDRN CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CCS1 ZINC001546120995 1067767369 /nfs/dbraw/zinc/76/73/69/1067767369.db2.gz HFDVNIACJXJBFU-FQEVSTJZSA-N 0 0 471.696 4.984 20 30 JJEDRN CC[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1C)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001461058451 1067772129 /nfs/dbraw/zinc/77/21/29/1067772129.db2.gz XZLPTDSAZAWWMR-KRWDZBQOSA-N 0 0 459.735 4.526 20 30 JJEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC001461067951 1067774897 /nfs/dbraw/zinc/77/48/97/1067774897.db2.gz VNXSACBJABQJGN-NSHDSACASA-N 0 0 455.230 4.751 20 30 JJEDRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001461072528 1067776139 /nfs/dbraw/zinc/77/61/39/1067776139.db2.gz GZZKJBUAKSOQPM-ZDXQCDESSA-N 0 0 463.578 4.510 20 30 JJEDRN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC001461082735 1067778110 /nfs/dbraw/zinc/77/81/10/1067778110.db2.gz ZOXBETXHUABWRT-NPRIEWAGSA-N 0 0 453.564 4.508 20 30 JJEDRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC001461099100 1067781756 /nfs/dbraw/zinc/78/17/56/1067781756.db2.gz IBKLBIFSKOYIAF-HIFRSBDPSA-N 0 0 451.365 4.518 20 30 JJEDRN N#Cc1ccc2c(c1)CN(C(=O)c1cnn(-c3ncc(Cl)cc3Cl)c1C(F)(F)F)C2 ZINC001461182981 1067794660 /nfs/dbraw/zinc/79/46/60/1067794660.db2.gz UYHFRNJOWCIMMF-UHFFFAOYSA-N 0 0 452.223 4.621 20 30 JJEDRN N#Cc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)CCC2)cc1 ZINC001461189039 1067796104 /nfs/dbraw/zinc/79/61/04/1067796104.db2.gz NAKZRQQQMDRILX-SFHVURJKSA-N 0 0 456.373 4.913 20 30 JJEDRN CC(C)(C)OC(=O)c1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)nc1 ZINC001461249599 1067809778 /nfs/dbraw/zinc/80/97/78/1067809778.db2.gz HRDQBJYIFXYTGM-UHFFFAOYSA-N 0 0 454.958 4.807 20 30 JJEDRN Cc1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461316150 1067826430 /nfs/dbraw/zinc/82/64/30/1067826430.db2.gz MQURCOXPVUXOPA-MRXNPFEDSA-N 0 0 457.431 4.675 20 30 JJEDRN CC(C)(NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1cccc(C#N)c1 ZINC001461515063 1067880089 /nfs/dbraw/zinc/88/00/89/1067880089.db2.gz NJRSJYOMDGOHOW-QGOAFFKASA-N 0 0 455.630 4.653 20 30 JJEDRN COc1cc(CNc2cc(Br)cc(I)c2C)ccc1C#N ZINC001461668253 1067914287 /nfs/dbraw/zinc/91/42/87/1067914287.db2.gz LSOPJIKEFXWSKN-UHFFFAOYSA-N 0 0 457.109 4.855 20 30 JJEDRN C#CCOc1ccccc1CNc1cc(Br)cc(I)c1C ZINC001461667007 1067914300 /nfs/dbraw/zinc/91/43/00/1067914300.db2.gz IZQUSKWTPMIFRB-UHFFFAOYSA-N 0 0 456.121 4.986 20 30 JJEDRN CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NCc2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC001461737805 1067928149 /nfs/dbraw/zinc/92/81/49/1067928149.db2.gz QADGYXHERKKKCR-PNHLSOANSA-N 0 0 455.624 4.995 20 30 JJEDRN Cc1ccc(F)c(-n2nc(C(=O)N[C@H](C#N)c3ccccc3Br)c3c2CCC3)c1 ZINC001461743413 1067929134 /nfs/dbraw/zinc/92/91/34/1067929134.db2.gz MRPHWASVNVFBCO-GOSISDBHSA-N 0 0 453.315 4.566 20 30 JJEDRN N#C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1Br ZINC001461742333 1067929164 /nfs/dbraw/zinc/92/91/64/1067929164.db2.gz JWBPSQFIFWRHDS-AWEZNQCLSA-N 0 0 458.537 4.625 20 30 JJEDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C#N)c2ccccc2Br)CCCC1 ZINC001461744926 1067929515 /nfs/dbraw/zinc/92/95/15/1067929515.db2.gz SNMMSUTWEVIJEL-FQEVSTJZSA-N 0 0 452.352 4.672 20 30 JJEDRN NC(=O)c1cc(NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)nc2ccccc21 ZINC001461768967 1067933079 /nfs/dbraw/zinc/93/30/79/1067933079.db2.gz DXHMBJJVPNDUFH-UHFFFAOYSA-N 0 0 459.321 4.875 20 30 JJEDRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc1 ZINC001461768855 1067933455 /nfs/dbraw/zinc/93/34/55/1067933455.db2.gz MCQGYKIAKIUXGK-UHFFFAOYSA-N 0 0 451.592 4.711 20 30 JJEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCCc2ccco2)c1 ZINC001461818637 1067941696 /nfs/dbraw/zinc/94/16/96/1067941696.db2.gz ZWNXZIPEIIGLDW-UHFFFAOYSA-N 0 0 458.967 4.677 20 30 JJEDRN COc1cc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)c(F)cc1C#N ZINC001461824500 1067942572 /nfs/dbraw/zinc/94/25/72/1067942572.db2.gz CDXQAAQHQHEIFM-UHFFFAOYSA-N 0 0 452.795 4.875 20 30 JJEDRN Cc1cc(=O)c(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)nn1-c1ccccc1C(F)(F)F ZINC001461828870 1067942746 /nfs/dbraw/zinc/94/27/46/1067942746.db2.gz NZZYMJJPGFCSDA-UHFFFAOYSA-N 0 0 459.321 4.970 20 30 JJEDRN N#Cc1ccc(CN2CCN(Cc3c(F)ccc(C(F)(F)F)c3Br)CC2)cc1 ZINC001462019309 1067982321 /nfs/dbraw/zinc/98/23/21/1067982321.db2.gz SGNDOEKBJRRZCG-UHFFFAOYSA-N 0 0 456.281 4.796 20 30 JJEDRN C=C(C)C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)C(=O)OC ZINC001462160334 1068018983 /nfs/dbraw/zinc/01/89/83/1068018983.db2.gz BTALCAJGDKGACQ-KRWDZBQOSA-N 0 0 450.366 4.686 20 30 JJEDRN N#Cc1cc(F)cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)c1 ZINC001462168608 1068020912 /nfs/dbraw/zinc/02/09/12/1068020912.db2.gz BXTRFLGTDPUBHC-UHFFFAOYSA-N 0 0 459.737 4.838 20 30 JJEDRN CC(=O)N(c1nc(CN2CCN(c3ccc(C#N)cc3Cl)CC2)cs1)c1ccccc1 ZINC001462169227 1068021247 /nfs/dbraw/zinc/02/12/47/1068021247.db2.gz XCZXRHVIGPFFGD-UHFFFAOYSA-N 0 0 451.983 4.675 20 30 JJEDRN Cc1cn(CC(=O)N2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)nc1C(F)(F)F ZINC001462302013 1068047345 /nfs/dbraw/zinc/04/73/45/1068047345.db2.gz MGVLPWSSRRKPCK-GOSISDBHSA-N 0 0 451.386 4.992 20 30 JJEDRN CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CCCC1 ZINC001546130780 1068050017 /nfs/dbraw/zinc/05/00/17/1068050017.db2.gz CWHYEDGJHGPNCK-QFIPXVFZSA-N 0 0 462.642 4.776 20 30 JJEDRN Cc1cccc(OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1Br ZINC001462412460 1068069151 /nfs/dbraw/zinc/06/91/51/1068069151.db2.gz LXWOBYLCWAVGPA-UHFFFAOYSA-N 0 0 456.296 4.699 20 30 JJEDRN COc1ccc(CNC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1C#N ZINC001462460871 1068079065 /nfs/dbraw/zinc/07/90/65/1068079065.db2.gz XVZYGSNQOPXRTO-UHFFFAOYSA-N 0 0 450.951 4.918 20 30 JJEDRN C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC001462495632 1068085245 /nfs/dbraw/zinc/08/52/45/1068085245.db2.gz MQRLUHCBNYRWNI-OAQYLSRUSA-N 0 0 451.286 4.904 20 30 JJEDRN C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 ZINC001462604490 1068110184 /nfs/dbraw/zinc/11/01/84/1068110184.db2.gz JAPTZZKMAITSAE-CQSZACIVSA-N 0 0 453.301 4.983 20 30 JJEDRN COc1cc(C#N)ccc1C(=O)N1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001462633173 1068118791 /nfs/dbraw/zinc/11/87/91/1068118791.db2.gz DOTJCGHNSPICAU-KNQAVFIVSA-N 0 0 455.599 4.893 20 30 JJEDRN N#Cc1cccc(OCc2ccoc2C(=O)NCCN(Cc2ccccc2)c2ccccn2)c1 ZINC001462648181 1068123882 /nfs/dbraw/zinc/12/38/82/1068123882.db2.gz ZUHCWQRHLDJJHI-UHFFFAOYSA-N 0 0 452.514 4.562 20 30 JJEDRN COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)CC(C)(C)C#N ZINC001462713659 1068140157 /nfs/dbraw/zinc/14/01/57/1068140157.db2.gz FXTVIEAGVZQVRN-UHFFFAOYSA-N 0 0 452.532 4.668 20 30 JJEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(c1ccccc1)c1ccccc1 ZINC001462752835 1068155815 /nfs/dbraw/zinc/15/58/15/1068155815.db2.gz KGRUETQNZABYMA-MRXNPFEDSA-N 0 0 455.377 4.820 20 30 JJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC001462756048 1068156922 /nfs/dbraw/zinc/15/69/22/1068156922.db2.gz NWLIWDUINUXWCY-UHFFFAOYSA-N 0 0 451.349 4.960 20 30 JJEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC001462829680 1068181408 /nfs/dbraw/zinc/18/14/08/1068181408.db2.gz BZPOSYVMDKKERX-GFCCVEGCSA-N 0 0 457.777 4.755 20 30 JJEDRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(CCC#N)cc1 ZINC001462853760 1068191601 /nfs/dbraw/zinc/19/16/01/1068191601.db2.gz QRAABLLCKVFAIT-UHFFFAOYSA-N 0 0 453.498 4.590 20 30 JJEDRN COc1ccc(Br)cc1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC001462967883 1068232260 /nfs/dbraw/zinc/23/22/60/1068232260.db2.gz NMPGIAUECCXWID-MRXNPFEDSA-N 0 0 455.761 4.509 20 30 JJEDRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001463014972 1068252119 /nfs/dbraw/zinc/25/21/19/1068252119.db2.gz FSNDOWSPBLXGPW-UHFFFAOYSA-N 0 0 457.458 4.757 20 30 JJEDRN N#CCc1cccc(S(=O)(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1 ZINC001463018605 1068253950 /nfs/dbraw/zinc/25/39/50/1068253950.db2.gz QSJRDWSADOFDQE-UHFFFAOYSA-N 0 0 451.592 4.803 20 30 JJEDRN CO[C@@H](Cc1ccccc1)CS(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C ZINC001463022136 1068255276 /nfs/dbraw/zinc/25/52/76/1068255276.db2.gz ZOUMLEIFFWKNLQ-DEOSSOPVSA-N 0 0 452.551 4.600 20 30 JJEDRN N#CCCN(CC1CC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC001463032609 1068258215 /nfs/dbraw/zinc/25/82/15/1068258215.db2.gz SSDDAXSJILISMI-UHFFFAOYSA-N 0 0 453.333 4.695 20 30 JJEDRN CCCOc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1C(C)(C)C ZINC001463046918 1068264473 /nfs/dbraw/zinc/26/44/73/1068264473.db2.gz GLYLQVAHVYGVBK-UHFFFAOYSA-N 0 0 456.608 4.877 20 30 JJEDRN CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccc(CCC#N)cc1 ZINC001463057181 1068268577 /nfs/dbraw/zinc/26/85/77/1068268577.db2.gz YTFHYSNPZILXOU-GOSISDBHSA-N 0 0 451.411 4.763 20 30 JJEDRN N#Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(OCC4CCCCC4)cc3)CC2)c1 ZINC001463060732 1068270481 /nfs/dbraw/zinc/27/04/81/1068270481.db2.gz VFZQMKLSXXQQSW-UHFFFAOYSA-N 0 0 454.592 4.749 20 30 JJEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCCc2cccc(OCCCc3ccccc3)c2)c1 ZINC001463069448 1068275467 /nfs/dbraw/zinc/27/54/67/1068275467.db2.gz VSFVTRFIRFZCCY-UHFFFAOYSA-N 0 0 454.979 4.744 20 30 JJEDRN N#Cc1ccc([C@H]2CN(C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CCO2)cc1 ZINC001463100251 1068286673 /nfs/dbraw/zinc/28/66/73/1068286673.db2.gz MXXZUCGLBYHMHB-HXUWFJFHSA-N 0 0 457.477 4.843 20 30 JJEDRN O=S(=O)(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001463113040 1068291715 /nfs/dbraw/zinc/29/17/15/1068291715.db2.gz VSVDWIWEAIHKIF-MELADBBJSA-N 0 0 454.816 4.660 20 30 JJEDRN COC(=O)c1c(F)cccc1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC001463116341 1068292735 /nfs/dbraw/zinc/29/27/35/1068292735.db2.gz XDFRNNDOAROINZ-UHFFFAOYSA-N 0 0 458.898 4.533 20 30 JJEDRN CCOCCOc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C(C)C ZINC001463148949 1068302897 /nfs/dbraw/zinc/30/28/97/1068302897.db2.gz WKUNXCSCRNLVDH-BJKOFHAPSA-N 0 0 456.608 4.686 20 30 JJEDRN COc1ccc2c(CC(=O)N3C[C@@H]4[C@@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)coc2c1 ZINC001463151623 1068304895 /nfs/dbraw/zinc/30/48/95/1068304895.db2.gz YBWHCNWQHJAJCH-CHWSQXEVSA-N 0 0 457.317 4.613 20 30 JJEDRN Cn1ccc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1-c1ccccc1 ZINC001463153219 1068305284 /nfs/dbraw/zinc/30/52/84/1068305284.db2.gz DKZRGAQPOKUOBH-KBPBESRZSA-N 0 0 452.345 4.935 20 30 JJEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Oc2cccc(-c3nc(C(C)(C)C)cs3)c2)c1 ZINC001463153134 1068305350 /nfs/dbraw/zinc/30/53/50/1068305350.db2.gz DFRIUMITAAOBMK-UHFFFAOYSA-N 0 0 456.589 4.791 20 30 JJEDRN O=C(c1cscc1Br)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001463154898 1068305699 /nfs/dbraw/zinc/30/56/99/1068305699.db2.gz MHSMNLDELAPPJC-KNVOCYPGSA-N 0 0 458.168 4.754 20 30 JJEDRN C=CCn1c(SCC(=O)N[C@H]2CCS[C@H](C)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001463189878 1068315244 /nfs/dbraw/zinc/31/52/44/1068315244.db2.gz GSZVRWGZNBNLTM-OCCSQVGLSA-N 0 0 457.452 4.930 20 30 JJEDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC001463194954 1068316475 /nfs/dbraw/zinc/31/64/75/1068316475.db2.gz GWMMTBFSGPHBRZ-GOSISDBHSA-N 0 0 456.999 4.905 20 30 JJEDRN N#Cc1cc(S(=O)(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1Cl ZINC001463200890 1068318244 /nfs/dbraw/zinc/31/82/44/1068318244.db2.gz BXJQYJZWROMKSL-UHFFFAOYSA-N 0 0 457.886 4.832 20 30 JJEDRN CCc1ccc([C@@H]2C[C@@H](C)CCN2S(=O)(=O)c2cc(Br)c(C#N)cc2F)o1 ZINC001463203943 1068319176 /nfs/dbraw/zinc/31/91/76/1068319176.db2.gz YKUNATGDCULDSP-SJCJKPOMSA-N 0 0 455.349 4.777 20 30 JJEDRN N#Cc1c(Br)cccc1S(=O)(=O)N(c1ccccc1)C1Cc2ccccc2C1 ZINC001463259394 1068337236 /nfs/dbraw/zinc/33/72/36/1068337236.db2.gz UYPWEFPGOXFWSC-UHFFFAOYSA-N 0 0 453.361 4.683 20 30 JJEDRN N#Cc1cc(Br)ccc1OS(=O)(=O)c1cc(Cl)ccc1Br ZINC001463298941 1068349182 /nfs/dbraw/zinc/34/91/82/1068349182.db2.gz CPXSOEHVDMYCIV-UHFFFAOYSA-N 0 0 451.523 4.504 20 30 JJEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cc1Br ZINC001463350039 1068367584 /nfs/dbraw/zinc/36/75/84/1068367584.db2.gz OHPOOFPIBXNBEL-UHFFFAOYSA-N 0 0 459.340 4.851 20 30 JJEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N[C@H]2CCOC3(CCSCC3)C2)c1C ZINC001463355621 1068369182 /nfs/dbraw/zinc/36/91/82/1068369182.db2.gz DSEIMCYHYDYUPH-FQEVSTJZSA-N 0 0 457.706 4.584 20 30 JJEDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(F)(F)F ZINC001463404672 1068385977 /nfs/dbraw/zinc/38/59/77/1068385977.db2.gz UGAFIYUDXVSJMX-UTKZUKDTSA-N 0 0 456.468 4.590 20 30 JJEDRN C=CCc1cc(C(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc(OC)c1OC ZINC001463409245 1068387638 /nfs/dbraw/zinc/38/76/38/1068387638.db2.gz GVIVYBPYJZUDET-SANMLTNESA-N 0 0 458.599 4.828 20 30 JJEDRN C=CCn1c(SCC(=O)NC[C@H]2C[C@H]2Cc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC001463416832 1068391159 /nfs/dbraw/zinc/39/11/59/1068391159.db2.gz DQGFEUUQABZKEH-WOJBJXKFSA-N 0 0 453.011 4.872 20 30 JJEDRN N#CCCc1ccc(S(=O)(=O)Oc2ccc(OC(F)(F)F)c(Br)c2)cc1 ZINC001463556017 1068440148 /nfs/dbraw/zinc/44/01/48/1068440148.db2.gz SWFDLOMNAQOIIV-UHFFFAOYSA-N 0 0 450.232 4.572 20 30 JJEDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC001463572003 1068451171 /nfs/dbraw/zinc/45/11/71/1068451171.db2.gz XOXUSSAYFMEXNI-NRFANRHFSA-N 0 0 459.543 4.541 20 30 JJEDRN Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccsc2C#N)c(Br)c1 ZINC001463585309 1068457639 /nfs/dbraw/zinc/45/76/39/1068457639.db2.gz URQYBTJKORBEEN-UHFFFAOYSA-N 0 0 451.367 4.675 20 30 JJEDRN Cc1c(C#N)cccc1C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001463622781 1068470010 /nfs/dbraw/zinc/47/00/10/1068470010.db2.gz DFVPXSUDHVVABU-UHFFFAOYSA-N 0 0 459.449 4.939 20 30 JJEDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC001463674624 1068490468 /nfs/dbraw/zinc/49/04/68/1068490468.db2.gz PNVMXJDDULFVEI-GFCCVEGCSA-N 0 0 450.404 4.848 20 30 JJEDRN C=CCOc1ccc(CNS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)cc1 ZINC001463678299 1068491079 /nfs/dbraw/zinc/49/10/79/1068491079.db2.gz USJIJUMVLDVEBU-UHFFFAOYSA-N 0 0 451.169 4.799 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N2CCC([C@H](F)c3ccccc3F)CC2)ccc1Br ZINC001463687304 1068494146 /nfs/dbraw/zinc/49/41/46/1068494146.db2.gz YWLIXLIIDBJSMZ-IBGZPJMESA-N 0 0 455.324 4.571 20 30 JJEDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001463715588 1068503172 /nfs/dbraw/zinc/50/31/72/1068503172.db2.gz UWMNONGNBBCTNK-KCJUWKMLSA-N 0 0 474.301 4.508 20 30 JJEDRN N#Cc1cc(F)c(S(=O)(=O)NC2(Cc3ccc(Cl)cc3)CCC2)cc1Br ZINC001463791141 1068525317 /nfs/dbraw/zinc/52/53/17/1068525317.db2.gz YNRGVJRUANRIAP-UHFFFAOYSA-N 0 0 457.752 4.557 20 30 JJEDRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001463794959 1068526976 /nfs/dbraw/zinc/52/69/76/1068526976.db2.gz MEGROVXLQKVMLS-RLWLMLJZSA-N 0 0 457.549 4.593 20 30 JJEDRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001463794950 1068527015 /nfs/dbraw/zinc/52/70/15/1068527015.db2.gz MEGROVXLQKVMLS-HFZDXXHNSA-N 0 0 457.549 4.593 20 30 JJEDRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001463794953 1068527029 /nfs/dbraw/zinc/52/70/29/1068527029.db2.gz MEGROVXLQKVMLS-LVXARBLLSA-N 0 0 457.549 4.593 20 30 JJEDRN C[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001463797219 1068528120 /nfs/dbraw/zinc/52/81/20/1068528120.db2.gz SIKNDWZOXYOFIF-IBVKSMDESA-N 0 0 455.533 4.569 20 30 JJEDRN N#Cc1ccc(CN2CCCN(C(=O)c3ccc4scc(Br)c4c3)CC2)cc1 ZINC001463838689 1068543181 /nfs/dbraw/zinc/54/31/81/1068543181.db2.gz RCBFSWRBJKJMSZ-UHFFFAOYSA-N 0 0 454.393 4.884 20 30 JJEDRN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001463860270 1068549700 /nfs/dbraw/zinc/54/97/00/1068549700.db2.gz PKKIBEFHKJTTNR-VXKWHMMOSA-N 0 0 452.599 4.675 20 30 JJEDRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC001463875851 1068553553 /nfs/dbraw/zinc/55/35/53/1068553553.db2.gz YZPODVFSFOGZJB-UHFFFAOYSA-N 0 0 459.308 4.930 20 30 JJEDRN N#C[C@@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1ccc(Br)cc1 ZINC001464018094 1068590480 /nfs/dbraw/zinc/59/04/80/1068590480.db2.gz OENIMVWBNVJTDD-MRXNPFEDSA-N 0 0 456.731 4.555 20 30 JJEDRN C=CCC[C@@H](C(=O)N1CCN(CCCc2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 ZINC001464076320 1068607026 /nfs/dbraw/zinc/60/70/26/1068607026.db2.gz GITALIRUHMYFDW-RUZDIDTESA-N 0 0 458.606 4.872 20 30 JJEDRN COc1ccc(CNC(=O)/C=C/C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 ZINC001464141484 1068632449 /nfs/dbraw/zinc/63/24/49/1068632449.db2.gz GBNKPFCQEUSRHG-YAOQVBECSA-N 0 0 459.933 4.815 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC001464220930 1068663123 /nfs/dbraw/zinc/66/31/23/1068663123.db2.gz AMIQVLGZAPUNOH-INIZCTEOSA-N 0 0 459.812 4.879 20 30 JJEDRN COc1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)ccc1NC(=O)OC(C)(C)C ZINC001464246977 1068674629 /nfs/dbraw/zinc/67/46/29/1068674629.db2.gz FFOBOBJXSYBUMY-UHFFFAOYSA-N 0 0 452.511 4.661 20 30 JJEDRN N#CCc1ccc(OCc2cccc(NC(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)c2)cc1 ZINC001464271373 1068684169 /nfs/dbraw/zinc/68/41/69/1068684169.db2.gz LOOAYGWGRQMWSY-QHCPKHFHSA-N 0 0 454.448 4.893 20 30 JJEDRN Cc1ccc(Cc2cnc(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1F ZINC001464296760 1068695667 /nfs/dbraw/zinc/69/56/67/1068695667.db2.gz QWEAKDMJPUFXBI-UHFFFAOYSA-N 0 0 457.571 4.770 20 30 JJEDRN CCc1ccccc1Oc1ccc(Cl)cc1CN(C)S(=O)(=O)N(CC)C[C@H](C)C#N ZINC001464368213 1068720479 /nfs/dbraw/zinc/72/04/79/1068720479.db2.gz NQBDJXIFERYQRN-QGZVFWFLSA-N 0 0 450.004 4.853 20 30 JJEDRN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC001464375248 1068723519 /nfs/dbraw/zinc/72/35/19/1068723519.db2.gz MUFXVZTXXXBZCJ-AWEZNQCLSA-N 0 0 459.893 4.637 20 30 JJEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)cc1 ZINC001464465663 1068756586 /nfs/dbraw/zinc/75/65/86/1068756586.db2.gz DIKXYIXWGDBTSA-QFIPXVFZSA-N 0 0 455.599 4.913 20 30 JJEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2c[nH]c3ccc(Br)cc23)cc1 ZINC001464465742 1068756612 /nfs/dbraw/zinc/75/66/12/1068756612.db2.gz DSMQANHBKIJMOF-UHFFFAOYSA-N 0 0 452.352 4.926 20 30 JJEDRN C=CCc1cc(CNC(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc(OC)c1OC ZINC001464555822 1068780112 /nfs/dbraw/zinc/78/01/12/1068780112.db2.gz GCDGWAUXBULKBF-QGZVFWFLSA-N 0 0 454.567 4.948 20 30 JJEDRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2C1 ZINC001464557252 1068780557 /nfs/dbraw/zinc/78/05/57/1068780557.db2.gz SXWGHGFAJXINKT-UHFFFAOYSA-N 0 0 459.506 4.619 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Br)cc1Cl ZINC001464559306 1068781720 /nfs/dbraw/zinc/78/17/20/1068781720.db2.gz SBCRGNIFEJWMPC-AWEZNQCLSA-N 0 0 452.176 4.755 20 30 JJEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Br)cc1Cl ZINC001464559312 1068781813 /nfs/dbraw/zinc/78/18/13/1068781813.db2.gz SBCRGNIFEJWMPC-CQSZACIVSA-N 0 0 452.176 4.755 20 30 JJEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC001464573949 1068787896 /nfs/dbraw/zinc/78/78/96/1068787896.db2.gz GUXFGICNGPTTIH-HNNXBMFYSA-N 0 0 451.778 4.914 20 30 JJEDRN N#Cc1cc(S(=O)(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)ccc1C(F)(F)F ZINC001464604209 1068796976 /nfs/dbraw/zinc/79/69/76/1068796976.db2.gz XOOQKDHRZJXEPT-CQSZACIVSA-N 0 0 457.905 4.743 20 30 JJEDRN CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001464705713 1068832236 /nfs/dbraw/zinc/83/22/36/1068832236.db2.gz ACFZSCYBXORVMU-LJQANCHMSA-N 0 0 452.393 4.597 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4C(=O)Nc5ccccc5[C@H]4C3)cnc2Cl)c1 ZINC001164401501 718859754 /nfs/dbraw/zinc/85/97/54/718859754.db2.gz FKSWJEFCVWZFAE-WOJBJXKFSA-N 0 0 450.876 4.991 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4CCCO[C@@H]4[C@@H](N4CCCC4=O)C3)cc2c1Cl ZINC001164648165 719306422 /nfs/dbraw/zinc/30/64/22/719306422.db2.gz QFLQQDXZHWXXBO-FPSMJMQUSA-N 0 0 495.357 4.564 20 30 JJEDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(Cl)c(C)c1C#N)CC2 ZINC001164664531 719346262 /nfs/dbraw/zinc/34/62/62/719346262.db2.gz XCXUCKRHJMMEDF-UHFFFAOYSA-N 0 0 461.013 4.918 20 30 JJEDRN CCOC[C@H]1CN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164663765 719364553 /nfs/dbraw/zinc/36/45/53/719364553.db2.gz LSRWUSLGCNYRPO-LJQANCHMSA-N 0 0 498.965 4.960 20 30 JJEDRN N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)cc1F ZINC001164673966 719511075 /nfs/dbraw/zinc/51/10/75/719511075.db2.gz VZQDPYWOCMNWGR-UHFFFAOYSA-N 0 0 495.961 4.818 20 30 JJEDRN N#Cc1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc2ccc(Cl)cc12 ZINC001164678513 719529713 /nfs/dbraw/zinc/52/97/13/719529713.db2.gz LPKUPCOXQKDBQI-UHFFFAOYSA-N 0 0 450.945 4.770 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@@H]43)cc2c1Cl ZINC001164679145 719548866 /nfs/dbraw/zinc/54/88/66/719548866.db2.gz UIYPMLHPZKIZCN-ZNZDAUKMSA-N 0 0 495.357 4.564 20 30 JJEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)cc2c1Cl ZINC001164679142 719549032 /nfs/dbraw/zinc/54/90/32/719549032.db2.gz UIYPMLHPZKIZCN-UPRAQXHNSA-N 0 0 495.357 4.564 20 30 JJEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)[C@@H]2CC ZINC001164701316 719823448 /nfs/dbraw/zinc/82/34/48/719823448.db2.gz OPELKADWFVSCEX-XMSQKQJNSA-N 0 0 461.944 4.663 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)[C@H]2CC ZINC001164701306 719823494 /nfs/dbraw/zinc/82/34/94/719823494.db2.gz OPELKADWFVSCEX-AVRDEDQJSA-N 0 0 461.944 4.663 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)[C@@H]2CC ZINC001164704063 719823708 /nfs/dbraw/zinc/82/37/08/719823708.db2.gz XKETWRWPDLPFKD-GCJKJVERSA-N 0 0 461.944 4.663 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)[C@H]2CC ZINC001164700657 719823725 /nfs/dbraw/zinc/82/37/25/719823725.db2.gz LBPZLPFITPKDRT-RXVVDRJESA-N 0 0 450.917 4.861 20 30 JJEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)[C@H]2CC ZINC001164698012 719823729 /nfs/dbraw/zinc/82/37/29/719823729.db2.gz CRENWJXEDJEGPI-AVRDEDQJSA-N 0 0 464.944 4.763 20 30 JJEDRN N#Cc1cc(C(F)(F)N2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)cnc1Cl ZINC001164838626 720734977 /nfs/dbraw/zinc/73/49/77/720734977.db2.gz UDRJISIYXGTHKY-UHFFFAOYSA-N 0 0 484.913 4.639 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC001164836134 720735619 /nfs/dbraw/zinc/73/56/19/720735619.db2.gz BCUQALYZHGOSTI-UHFFFAOYSA-N 0 0 484.913 4.639 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)cnc2Cl)cc1 ZINC001164759320 721011924 /nfs/dbraw/zinc/01/19/24/721011924.db2.gz LFMWXFAAFMQOPU-ZRBLBEILSA-N 0 0 482.918 4.634 20 30 JJEDRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)n1 ZINC001164771275 721057336 /nfs/dbraw/zinc/05/73/36/721057336.db2.gz MGAPZYFOUHNYRA-XZOQPEGZSA-N 0 0 493.945 4.902 20 30 JJEDRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)n1 ZINC001164774944 721057348 /nfs/dbraw/zinc/05/73/48/721057348.db2.gz ZLMLYHOQXSUKIM-PKTZIBPZSA-N 0 0 493.945 4.902 20 30 JJEDRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@@H]32)N=C1C ZINC001164873971 721236352 /nfs/dbraw/zinc/23/63/52/721236352.db2.gz RQRMGVLOXXOCLH-YOKWENHESA-N 0 0 492.357 4.824 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)c(Cl)nn2)cc1 ZINC001164872650 721252482 /nfs/dbraw/zinc/25/24/82/721252482.db2.gz DUZFUVIPDKXKJG-VJBMBRPKSA-N 0 0 497.933 4.814 20 30 JJEDRN Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CCO3)c1 ZINC001164774684 721303757 /nfs/dbraw/zinc/30/37/57/721303757.db2.gz HLDSNUIGXKVKMG-OAQYLSRUSA-N 0 0 467.347 4.989 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)cc1 ZINC001164881219 721359830 /nfs/dbraw/zinc/35/98/30/721359830.db2.gz AAUASAMJALCSML-MOPGFXCFSA-N 0 0 471.920 4.659 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)c1 ZINC001164883151 721360849 /nfs/dbraw/zinc/36/08/49/721360849.db2.gz NPPMMNUWOIZTQF-RBUKOAKNSA-N 0 0 471.920 4.659 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@@H]4C3)cnc2Cl)c1 ZINC001164882657 721367540 /nfs/dbraw/zinc/36/75/40/721367540.db2.gz KLBXDWFPGMJFAJ-FGZHOGPDSA-N 0 0 498.892 4.578 20 30 JJEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164782558 721439941 /nfs/dbraw/zinc/43/99/41/721439941.db2.gz KESJYQNYZWRRSO-QZTJIDSGSA-N 0 0 471.964 4.843 20 30 JJEDRN N#Cc1c(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)nc1C(F)(F)F ZINC001164899473 721499773 /nfs/dbraw/zinc/49/97/73/721499773.db2.gz KNJUFSQWMOZMDX-YUTCNCBUSA-N 0 0 450.839 4.597 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@H](c5ccncc5)C(=O)N4)CC3)cnc2Cl)c1 ZINC001164898378 721505754 /nfs/dbraw/zinc/50/57/54/721505754.db2.gz RDXIHPDGCMUIEE-JOCHJYFZSA-N 0 0 493.945 4.856 20 30 JJEDRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)CC2 ZINC001164904021 721571584 /nfs/dbraw/zinc/57/15/84/721571584.db2.gz TVWPHRJQVLCROW-OAHLLOKOSA-N 0 0 453.320 4.653 20 30 JJEDRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3ccnc(Cl)c3C#N)CC2)Oc2ccccc21 ZINC001164807587 721593087 /nfs/dbraw/zinc/59/30/87/721593087.db2.gz OUVNKECMFDFEIP-QGZVFWFLSA-N 0 0 488.966 4.972 20 30 JJEDRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC2)Oc2ccccc21 ZINC001164797645 721593270 /nfs/dbraw/zinc/59/32/70/721593270.db2.gz HEGUORWXQNMKQD-QGZVFWFLSA-N 0 0 488.966 4.972 20 30 JJEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)c1 ZINC001164804182 721605740 /nfs/dbraw/zinc/60/57/40/721605740.db2.gz XTGSOGDTSQHQSJ-FQEVSTJZSA-N 0 0 480.302 4.559 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164912234 721740271 /nfs/dbraw/zinc/74/02/71/721740271.db2.gz NHICWJMNUDZSNT-ZJSXRUAMSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cc(C(F)(F)N2C[C@@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)cnc1Cl ZINC001164913562 721740884 /nfs/dbraw/zinc/74/08/84/721740884.db2.gz WZHGWZFKJDNQRC-URXFXBBRSA-N 0 0 479.918 4.574 20 30 JJEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@]4(CCN(c5cncnc5)C4=O)C3)cnc2Cl)c1 ZINC001165024519 721785801 /nfs/dbraw/zinc/78/58/01/721785801.db2.gz XTKZPGVWMXWGIH-DEOSSOPVSA-N 0 0 494.933 4.632 20 30 JJEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C[C@@H]21 ZINC001164942500 721964615 /nfs/dbraw/zinc/96/46/15/721964615.db2.gz CGVYIAHQPKJEIM-XZOQPEGZSA-N 0 0 499.949 4.513 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H]2Cc3c(c(-c4ccccc4)nn3C)[C@H]2C1 ZINC001164952057 722004697 /nfs/dbraw/zinc/00/46/97/722004697.db2.gz KALQKHZKYPGKLF-AEFFLSMTSA-N 0 0 497.933 4.505 20 30 JJEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@@H]2CC[C@H](C1)C2C(=O)NCCc1cccs1 ZINC001164960080 722038539 /nfs/dbraw/zinc/03/85/39/722038539.db2.gz IYWLZVCVVGMCEC-NCNPBXTDSA-N 0 0 485.387 4.688 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164960792 722049559 /nfs/dbraw/zinc/04/95/59/722049559.db2.gz WVNHBVMFTGTXKM-UHFFFAOYSA-N 0 0 465.895 4.640 20 30 JJEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164957044 722049769 /nfs/dbraw/zinc/04/97/69/722049769.db2.gz HDFAIRUGQCHCQZ-UHFFFAOYSA-N 0 0 465.895 4.640 20 30 JJEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001164972494 722160667 /nfs/dbraw/zinc/16/06/67/722160667.db2.gz IBPZWZBJQMUZSO-UHFFFAOYSA-N 0 0 456.924 4.836 20 30 JJEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164978515 722165387 /nfs/dbraw/zinc/16/53/87/722165387.db2.gz ICIRARLKKMSKJX-JPYJTQIMSA-N 0 0 497.970 4.663 20 30 JJEDRN C=CCOC[C@@H]1CCC[C@@]12CN(c1nc(CN(CC)CC)nc3sc(C)c(C)c31)CCO2 ZINC001164979994 722169333 /nfs/dbraw/zinc/16/93/33/722169333.db2.gz VYRGQXRTOJUINU-NBGIEHNGSA-N 0 0 458.672 4.728 20 30 JJEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CCO2 ZINC001164976940 722169435 /nfs/dbraw/zinc/16/94/35/722169435.db2.gz LFOSEAFPLMSEPA-QRWLVFNGSA-N 0 0 455.958 4.982 20 30 JJEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)CCO2 ZINC001164978142 722170077 /nfs/dbraw/zinc/17/00/77/722170077.db2.gz QVOACJUHUMGHKZ-AUSIDOKSSA-N 0 0 474.939 4.792 20 30 JJEDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5cc(F)c(F)cc5c(Cl)c4C#N)CC[C@@H]32)cs1 ZINC001164993302 722186811 /nfs/dbraw/zinc/18/68/11/722186811.db2.gz YDYKLDZITCQROP-SFTDATJTSA-N 0 0 489.979 4.673 20 30 JJEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)c1 ZINC001164997345 722220521 /nfs/dbraw/zinc/22/05/21/722220521.db2.gz CDPAXOJLFZBJLW-UHFFFAOYSA-N 0 0 468.935 4.613 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)cc(Cl)n1 ZINC001164997964 722221275 /nfs/dbraw/zinc/22/12/75/722221275.db2.gz FEGYGGKSRVDUBV-OAQYLSRUSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)cc(Cl)n1 ZINC001164997960 722221338 /nfs/dbraw/zinc/22/13/38/722221338.db2.gz FEGYGGKSRVDUBV-NRFANRHFSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)c1 ZINC001164997378 722221447 /nfs/dbraw/zinc/22/14/47/722221447.db2.gz CRGSFWKKDPQSHC-NRFANRHFSA-N 0 0 456.924 4.732 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)C2)c1 ZINC001165002972 722258327 /nfs/dbraw/zinc/25/83/27/722258327.db2.gz ANUBRGQDXKPBJG-QFIPXVFZSA-N 0 0 492.357 4.800 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C3)C2)c1 ZINC001165004221 722258982 /nfs/dbraw/zinc/25/89/82/722258982.db2.gz OQHVUGDOXDPORW-DEOSSOPVSA-N 0 0 499.949 4.930 20 30 JJEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)C2)c1 ZINC001165004806 722259178 /nfs/dbraw/zinc/25/91/78/722259178.db2.gz RWUBTESKFLCYAT-QHCPKHFHSA-N 0 0 472.967 4.850 20 30 JJEDRN