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326.371 2.949 10 30 EFEEMN C=C(C)CCC(=O)NCc1ccc(CNCC#CCOC)cc1F ZINC001333473333 1331151753 /nfs/dbraw/zinc/15/17/53/1331151753.db2.gz NPHMJCUMTMCLLV-UHFFFAOYSA-N 0 1 332.419 2.538 10 30 EFEEMN C#CCNCc1ccc(CNC(=O)[C@@]23CCO[C@@H]2CCCC3)c(F)c1 ZINC001333474052 1331152009 /nfs/dbraw/zinc/15/20/09/1331152009.db2.gz WSFWYRQYWPMKBI-QUCCMNQESA-N 0 1 344.430 2.514 10 30 EFEEMN C#CCNCc1ccc(CNC(=O)[C@@H]2CCO[C@@H](CCC)C2)c(F)c1 ZINC001333481048 1331152972 /nfs/dbraw/zinc/15/29/72/1331152972.db2.gz ZZUFAGBTEZQCSC-AEFFLSMTSA-N 0 1 346.446 2.760 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@H]1CCCCN1C ZINC001333562656 1331168720 /nfs/dbraw/zinc/16/87/20/1331168720.db2.gz JIKSVXBCSZXROZ-DLBZAZTESA-N 0 1 349.519 2.522 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCCN1C ZINC001333562663 1331169238 /nfs/dbraw/zinc/16/92/38/1331169238.db2.gz JIKSVXBCSZXROZ-SJORKVTESA-N 0 1 349.519 2.522 10 30 EFEEMN C=CCCCC(=O)NCC1(NC(=O)c2[nH]nc(C)c2C)CCCCC1 ZINC001334753408 1331300759 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ZINC001507934306 1407215327 /nfs/dbraw/zinc/21/53/27/1407215327.db2.gz YQVSZGHVNMKAMF-WBVHZDCISA-N 0 1 330.476 2.626 10 30 EFEEMN C[C@H](CN(C)Cc1ccc(Cl)s1)NC(=O)c1c[nH]c(C#N)c1 ZINC001498262914 1401957845 /nfs/dbraw/zinc/95/78/45/1401957845.db2.gz QWHNIIZZKLHQTJ-SNVBAGLBSA-N 0 1 336.848 2.852 10 30 EFEEMN C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(C(C)C)CC1 ZINC001507957012 1407222585 /nfs/dbraw/zinc/22/25/85/1407222585.db2.gz BHQSWIKQPASDLQ-QGZVFWFLSA-N 0 1 349.523 2.915 10 30 EFEEMN COc1ccc(CN(C)C[C@@H](C)NC(=O)C#CC(C)(C)C)cc1F ZINC001498277864 1401970180 /nfs/dbraw/zinc/97/01/80/1401970180.db2.gz ZVEDMYUUVHEOJV-CQSZACIVSA-N 0 1 334.435 2.820 10 30 EFEEMN C[C@@H](CN(C)Cc1ccc(C#N)c(F)c1)NC(=O)[C@@]1(C)C=CCC1 ZINC001498361153 1402038513 /nfs/dbraw/zinc/03/85/13/1402038513.db2.gz ZYNUDNRECOXXAJ-LIRRHRJNSA-N 0 1 329.419 2.990 10 30 EFEEMN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CN(C)Cc1ccc(OC)c(C#N)c1 ZINC001498386125 1402057928 /nfs/dbraw/zinc/05/79/28/1402057928.db2.gz OHHCTKYVUPACEJ-YSVLISHTSA-N 0 1 329.444 2.549 10 30 EFEEMN Cc1cc(C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)c(F)c2)ccn1 ZINC001498408837 1402078563 /nfs/dbraw/zinc/07/85/63/1402078563.db2.gz CKBUBTROCHVCOK-AWEZNQCLSA-N 0 1 340.402 2.651 10 30 EFEEMN C=CCC1(C(=O)N[C@@H](C)CN(C)Cc2ncccc2C)CCOCC1 ZINC001498442080 1402105989 /nfs/dbraw/zinc/10/59/89/1402105989.db2.gz ANDLRAXDFYYGTJ-KRWDZBQOSA-N 0 1 345.487 2.699 10 30 EFEEMN Cc1ncsc1CN(C)C[C@@H](C)NC(=O)CC#Cc1ccccc1 ZINC001498455174 1402116873 /nfs/dbraw/zinc/11/68/73/1402116873.db2.gz FPQWWJKIVVDTRZ-OAHLLOKOSA-N 0 1 341.480 2.830 10 30 EFEEMN C=CCC1(C(=O)N[C@@H](C)CN(C)[C@H]2CCCN(C)C2=O)CCCCC1 ZINC001498457385 1402118984 /nfs/dbraw/zinc/11/89/84/1402118984.db2.gz OKVFVBQVOMDYGK-IRXDYDNUSA-N 0 1 349.519 2.570 10 30 EFEEMN C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001498486204 1402139700 /nfs/dbraw/zinc/13/97/00/1402139700.db2.gz DVMBRUREGIYOAZ-LSDHHAIUSA-N 0 1 346.475 2.678 10 30 EFEEMN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNCc1nccc(C)n1 ZINC001498486102 1402139821 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EFEEMN C=C1CCC(C(=O)N[C@@H](CNCc2csnc2OC)C2CC2)CC1 ZINC001498818993 1402311686 /nfs/dbraw/zinc/31/16/86/1402311686.db2.gz RGKIILUEDKRWKQ-INIZCTEOSA-N 0 1 349.500 2.883 10 30 EFEEMN C=C1CCC(C(=O)N[C@@H](CNCc2ccn(CC)n2)C2CC2)CC1 ZINC001498819039 1402312446 /nfs/dbraw/zinc/31/24/46/1402312446.db2.gz RTMHVCQROJQNTH-SFHVURJKSA-N 0 1 330.476 2.634 10 30 EFEEMN C=CCC(C)(C)C(=O)N[C@H](CNCC(=C)Br)C1CC1 ZINC001498827649 1402319388 /nfs/dbraw/zinc/31/93/88/1402319388.db2.gz LAIQILPRRLSLNC-CYBMUJFWSA-N 0 1 329.282 2.982 10 30 EFEEMN CC(C)[C@@H](C)C(=O)N[C@@H](CNCc1cc(F)ccc1C#N)C1CC1 ZINC001498833351 1402323582 /nfs/dbraw/zinc/32/35/82/1402323582.db2.gz SFMNLMUANDECNX-ACJLOTCBSA-N 0 1 331.435 2.974 10 30 EFEEMN C=CCC1(C(=O)N[C@@H](CNCc2cc(C)ncn2)C2CC2)CCCC1 ZINC001498875610 1402352100 /nfs/dbraw/zinc/35/21/00/1402352100.db2.gz PMTDUWRJUDKDFW-SFHVURJKSA-N 0 1 342.487 2.906 10 30 EFEEMN C=C(C)CCC(=O)N1CC[C@H](NCc2nccc(C)n2)[C@H](CC)C1 ZINC001498888357 1402359901 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C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CCc1c(C)noc1Cl ZINC001499132173 1402488611 /nfs/dbraw/zinc/48/86/11/1402488611.db2.gz OPMKMRIKKSBBPX-ZDUSSCGKSA-N 0 1 325.840 2.726 10 30 EFEEMN C=CCOCC(=O)NCC1(NCc2cccc(Cl)c2Cl)CC1 ZINC001499183725 1402512923 /nfs/dbraw/zinc/51/29/23/1402512923.db2.gz HASUEPQSGFQVKT-UHFFFAOYSA-N 0 1 343.254 2.934 10 30 EFEEMN C=C[C@@](C)(CC)C(=O)N[C@H](CC)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001499191379 1402515654 /nfs/dbraw/zinc/51/56/54/1402515654.db2.gz DHMYJIBIYZIDLD-YJYMSZOUSA-N 0 1 346.475 2.515 10 30 EFEEMN Cc1cc[nH]c1C(=O)NCC1(NCC#Cc2ccccc2Cl)CC1 ZINC001499213821 1402523667 /nfs/dbraw/zinc/52/36/67/1402523667.db2.gz GOYDWOCIMZSMPT-UHFFFAOYSA-N 0 1 341.842 2.880 10 30 EFEEMN O=C(NCC1(NCC#Cc2ccc(F)cc2)CC1)C1C=CC=CC=C1 ZINC001499237495 1402533067 /nfs/dbraw/zinc/53/30/67/1402533067.db2.gz CBVJQLHSXXBTRL-UHFFFAOYSA-N 0 1 336.410 2.714 10 30 EFEEMN C=CC(C)(C)C(=O)N1CCC(N(CCOC)CC(=C)Cl)CC1 ZINC001723654292 1424549448 /nfs/dbraw/zinc/54/94/48/1424549448.db2.gz SZQFVHYBQSBGCF-UHFFFAOYSA-N 0 1 328.884 2.891 10 30 EFEEMN C=C[C@@H](CC)CC(=O)NC[C@H](CC)NC(=O)c1ccc2cncn2c1 ZINC001499289326 1402553571 /nfs/dbraw/zinc/55/35/71/1402553571.db2.gz JSUCHQHIELDNDH-HOCLYGCPSA-N 0 1 342.443 2.561 10 30 EFEEMN C=CCN(CCNC(=O)c1cscc1C(F)(F)F)CCOC ZINC001508054358 1407266034 /nfs/dbraw/zinc/26/60/34/1407266034.db2.gz DITHGMUHMQYCNI-UHFFFAOYSA-N 0 1 336.379 2.631 10 30 EFEEMN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCc2ccccc2Cl)CC1 ZINC001499351147 1402577169 /nfs/dbraw/zinc/57/71/69/1402577169.db2.gz AIRZTGXFNVCWMI-ZBFHGGJFSA-N 0 1 334.847 2.670 10 30 EFEEMN Cc1conc1C(=O)NCC1(NCC#Cc2ccccc2Cl)CC1 ZINC001499410430 1402601785 /nfs/dbraw/zinc/60/17/85/1402601785.db2.gz PRZHMYBZQAICNC-UHFFFAOYSA-N 0 1 343.814 2.540 10 30 EFEEMN Cc1cc(C(=O)NCC2(NCC#Cc3ccccc3)CC2)c(C)n1C ZINC001499441982 1402616524 /nfs/dbraw/zinc/61/65/24/1402616524.db2.gz HJNJPNVINIVHDO-UHFFFAOYSA-N 0 1 335.451 2.546 10 30 EFEEMN C=CC(C)(C)CC(=O)NC1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001499486927 1402638789 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C=C(C)CCC(=O)N[C@@](C)(CNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001499645165 1402733551 /nfs/dbraw/zinc/73/35/51/1402733551.db2.gz YSXRMEYTGLURBX-XLIONFOSSA-N 0 1 349.519 2.618 10 30 EFEEMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2c[nH]c(Br)c2)C1 ZINC001499708395 1402752006 /nfs/dbraw/zinc/75/20/06/1402752006.db2.gz USMOZTQEOVIXAG-NSHDSACASA-N 0 1 340.265 2.888 10 30 EFEEMN C=CCCCN1CC(N(C)C(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001499690529 1402745471 /nfs/dbraw/zinc/74/54/71/1402745471.db2.gz GBEJLKXDUXVSOG-UHFFFAOYSA-N 0 1 328.456 2.663 10 30 EFEEMN C=CCC[C@@H](C)N1CC(N(C)C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001499756370 1402772237 /nfs/dbraw/zinc/77/22/37/1402772237.db2.gz NUKCFGFGJOWPHD-SNVBAGLBSA-N 0 1 330.354 2.539 10 30 EFEEMN C=CCC[C@H](C)N1CC(N(C)C(=O)Cn2ncc3ccccc32)C1 ZINC001499759024 1402772713 /nfs/dbraw/zinc/77/27/13/1402772713.db2.gz NXTIMOPERIYLCD-HNNXBMFYSA-N 0 1 326.444 2.534 10 30 EFEEMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2c(OC)cccc2OC)C1 ZINC001499774558 1402779638 /nfs/dbraw/zinc/77/96/38/1402779638.db2.gz 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333.435 2.522 10 30 EFEEMN C=CCC1(C(=O)N[C@H]2CCN(CCc3ccnn3C)C2)CCCCC1 ZINC001266361869 1101714643 /nfs/dbraw/zinc/71/46/43/1101714643.db2.gz UDEAEBMWDBHWMJ-KRWDZBQOSA-N 0 1 344.503 2.680 10 30 EFEEMN C#C[C@@](C)(CC)NCC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC001654508791 1101726974 /nfs/dbraw/zinc/72/69/74/1101726974.db2.gz URXIAVZABZGDPN-KRWDZBQOSA-N 0 1 336.457 2.872 10 30 EFEEMN C#CCCCCCCN1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001654579753 1101734593 /nfs/dbraw/zinc/73/45/93/1101734593.db2.gz ZUBVOOOPUYAPAH-UHFFFAOYSA-N 0 1 336.476 2.892 10 30 EFEEMN C/C=C(/C)C(=O)NC[C@@H](NCC#CCOC)c1ccccc1CC ZINC001271444446 1101737783 /nfs/dbraw/zinc/73/77/83/1101737783.db2.gz AJMZRHXOLIVVFU-MCBDIONPSA-N 0 1 328.456 2.612 10 30 EFEEMN CC#CCN[C@@H](CNC(=O)c1ocnc1C)c1ccccc1CC ZINC001271444391 1101738207 /nfs/dbraw/zinc/73/82/07/1101738207.db2.gz AAOQVZDBDREACH-KRWDZBQOSA-N 0 1 325.412 2.629 10 30 EFEEMN CC#CCN[C@H](CNC(=O)[C@H]1CCCOCC1)c1ccccc1CC ZINC001271446775 1101750965 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2.716 10 30 EFEEMN C=CCCC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C(=O)[O-] ZINC000910914830 727471815 /nfs/dbraw/zinc/47/18/15/727471815.db2.gz LCBNZQKLIJIAGX-SJORKVTESA-N 0 1 348.418 2.716 10 30 EFEEMN C=CCCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C(=O)[O-] ZINC000910914829 727471826 /nfs/dbraw/zinc/47/18/26/727471826.db2.gz LCBNZQKLIJIAGX-IRXDYDNUSA-N 0 1 348.418 2.716 10 30 EFEEMN C=CCCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C(=O)[O-] ZINC000910914829 727471827 /nfs/dbraw/zinc/47/18/27/727471827.db2.gz LCBNZQKLIJIAGX-IRXDYDNUSA-N 0 1 348.418 2.716 10 30 EFEEMN C=CCCC[C@@H](NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)C(=O)[O-] ZINC000910915476 727471901 /nfs/dbraw/zinc/47/19/01/727471901.db2.gz MQPAVZGKACDBER-MRXNPFEDSA-N 0 1 345.443 2.532 10 30 EFEEMN C[C@@H]1CN(Cc2ccc(CN(C)C(=O)C#CC3CC3)cc2)C[C@H](C)O1 ZINC000911911605 727621506 /nfs/dbraw/zinc/62/15/06/727621506.db2.gz RGJHGPQBJCYQGJ-CALCHBBNSA-N 0 1 340.467 2.668 10 30 EFEEMN CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000912254176 727686686 /nfs/dbraw/zinc/68/66/86/727686686.db2.gz AGNXPOQQPIHPPS-MRXNPFEDSA-N 0 1 345.406 2.785 10 30 EFEEMN N#Cc1ccc(C2CCN(C(=O)[C@@H]3CCCc4[nH]ncc43)CC2)nc1 ZINC000912932527 727760477 /nfs/dbraw/zinc/76/04/77/727760477.db2.gz ZQPDKHAVODNTHG-OAHLLOKOSA-N 0 1 335.411 2.502 10 30 EFEEMN C=CCN(CC=C)C(=O)CN1CCCN(c2ccc(C)cc2)CC1 ZINC000917087987 727765909 /nfs/dbraw/zinc/76/59/09/727765909.db2.gz DAARELWYOASNIJ-UHFFFAOYSA-N 0 1 327.472 2.708 10 30 EFEEMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)ccn1 ZINC000913100128 727782042 /nfs/dbraw/zinc/78/20/42/727782042.db2.gz PPONQVBMWPKHTB-HNAYVOBHSA-N 0 1 334.423 2.594 10 30 EFEEMN C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cc(F)ccc2OC)C(C)(C)C1 ZINC000941118558 727848252 /nfs/dbraw/zinc/84/82/52/727848252.db2.gz VEIHCAFPDJJSSF-KRWDZBQOSA-N 0 1 334.435 2.780 10 30 EFEEMN CC#CCN1CC[C@@H](NC(=O)c2cccc(OC)c2F)C(C)(C)C1 ZINC000941120831 727850631 /nfs/dbraw/zinc/85/06/31/727850631.db2.gz YBYCQUCGCJKAQZ-MRXNPFEDSA-N 0 1 332.419 2.688 10 30 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1105478888 /nfs/dbraw/zinc/47/88/88/1105478888.db2.gz AUCNFKNMCGKJTA-UZLBHIALSA-N 0 1 345.487 2.939 10 30 EFEEMN C=CC[C@H](C(=O)N[C@H](C)CNCc1cnc(C)cn1)c1ccccc1 ZINC001669478819 1105487814 /nfs/dbraw/zinc/48/78/14/1105487814.db2.gz SBEYOLPUJRZUDM-APWZRJJASA-N 0 1 338.455 2.739 10 30 EFEEMN C#CCC1(C(=O)N[C@H](C)CNCc2conc2CC)CCCCC1 ZINC001669485423 1105488536 /nfs/dbraw/zinc/48/85/36/1105488536.db2.gz FZWKZVKASSJXQR-OAHLLOKOSA-N 0 1 331.460 2.805 10 30 EFEEMN Cc1cccnc1C(=O)N[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001669533350 1105494092 /nfs/dbraw/zinc/49/40/92/1105494092.db2.gz LPIAIEXXVHQJOC-HNNXBMFYSA-N 0 1 341.842 2.803 10 30 EFEEMN C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)[C@H]1CCCOCC1 ZINC001669543976 1105494767 /nfs/dbraw/zinc/49/47/67/1105494767.db2.gz ACMYAWKCXDDIJI-RDJZCZTQSA-N 0 1 348.874 2.603 10 30 EFEEMN CCOC1CC(C(=O)N[C@@H](C)CNCC#Cc2ccccc2Cl)C1 ZINC001669549044 1105495159 /nfs/dbraw/zinc/49/51/59/1105495159.db2.gz FVWBYJXUBOPQEC-OOHWJJMZSA-N 0 1 348.874 2.601 10 30 EFEEMN C=C[C@](C)(O)CC(=O)NC/C=C\CN[C@@H](C)c1ccc(F)cc1F ZINC001483001193 1105504073 /nfs/dbraw/zinc/50/40/73/1105504073.db2.gz AWMYWJQNSMAZAD-OAHHYSRISA-N 0 1 338.398 2.615 10 30 EFEEMN C=C1CCC(C(=O)N[C@@H](C)CNCC(=O)Nc2ccc(F)cc2)CC1 ZINC001669658153 1105506355 /nfs/dbraw/zinc/50/63/55/1105506355.db2.gz YNEHNFOBUHJQPR-AWEZNQCLSA-N 0 1 347.434 2.605 10 30 EFEEMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CNCc1oc(CCC)nc1C ZINC001669686515 1105508853 /nfs/dbraw/zinc/50/88/53/1105508853.db2.gz RQTRJZPTLSTWDN-YEWWUXTCSA-N 0 1 349.475 2.511 10 30 EFEEMN C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)CCn1cccc1 ZINC001669698088 1105509346 /nfs/dbraw/zinc/50/93/46/1105509346.db2.gz JOCDMGOKWVSKMP-INIZCTEOSA-N 0 1 343.858 2.678 10 30 EFEEMN C#Cc1ccc(C(=O)N[C@@H](C)CNCc2cc(F)ccc2Cl)cn1 ZINC001669715693 1105511150 /nfs/dbraw/zinc/51/11/50/1105511150.db2.gz LHLOLAQYINLBJI-LBPRGKRZSA-N 0 1 345.805 2.764 10 30 EFEEMN C[C@H](CN(C)Cc1ccc(Cl)c(F)c1)NC(=O)CSCC#N ZINC001669776810 1105520138 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C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1CNCc1csnn1 ZINC001669955574 1105552807 /nfs/dbraw/zinc/55/28/07/1105552807.db2.gz INFPNCHPNSPCRL-DZGCQCFKSA-N 0 1 336.505 2.905 10 30 EFEEMN C=C(C)CCC(=O)N[C@H]1CCCC[C@H]1CNCc1nccc(C)n1 ZINC001669955892 1105554046 /nfs/dbraw/zinc/55/40/46/1105554046.db2.gz LOHJQZOVQBVJNV-IRXDYDNUSA-N 0 1 330.476 2.906 10 30 EFEEMN C=CCC1(C(=O)N[C@H]2CCCC[C@H]2CNCc2nc(C)no2)CCC1 ZINC001669967717 1105558830 /nfs/dbraw/zinc/55/88/30/1105558830.db2.gz OUKCXVPFDTZTDP-HOTGVXAUSA-N 0 1 346.475 2.889 10 30 EFEEMN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNCc1nc(CC)no1 ZINC001669967886 1105558922 /nfs/dbraw/zinc/55/89/22/1105558922.db2.gz QVKTZXZBDGGDPR-UONOGXRCSA-N 0 1 334.464 2.609 10 30 EFEEMN CC(C)C#CC(=O)N(C)CCCNCc1nc(C(F)(F)F)cs1 ZINC001670087947 1105579168 /nfs/dbraw/zinc/57/91/68/1105579168.db2.gz PNTALQJZAVIUHJ-UHFFFAOYSA-N 0 1 347.406 2.759 10 30 EFEEMN C=C1CCC(C(=O)N(C)CCCN[C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001670237388 1105601505 /nfs/dbraw/zinc/60/15/05/1105601505.db2.gz 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/nfs/dbraw/zinc/63/93/55/1105639355.db2.gz JRIKMFRMYDBDKS-UHFFFAOYSA-N 0 1 337.423 2.723 10 30 EFEEMN C#CCN(C(=O)/C=C(/C)C1CC1)C1CCN(Cc2ccccn2)CC1 ZINC001671460886 1105640222 /nfs/dbraw/zinc/64/02/22/1105640222.db2.gz QLHGUXYBCKQUMH-ICFOKQHNSA-N 0 1 337.467 2.864 10 30 EFEEMN C#CCN(C(=O)C[C@H](C)SC)C1CCN(Cc2cnoc2C)CC1 ZINC001671469821 1105641794 /nfs/dbraw/zinc/64/17/94/1105641794.db2.gz QQQLNTJNDIDNIU-AWEZNQCLSA-N 0 1 349.500 2.551 10 30 EFEEMN C#CCN(C(=O)C1CC(C)(C)C1)C1CCN(Cc2cccnc2)CC1 ZINC001671473428 1105641825 /nfs/dbraw/zinc/64/18/25/1105641825.db2.gz AVSLYRRVBOKWAK-UHFFFAOYSA-N 0 1 339.483 2.944 10 30 EFEEMN C#CCN(C(=O)c1ccc(C)c(Cl)c1)C1CCN(CC#C)CC1 ZINC001671491969 1105644848 /nfs/dbraw/zinc/64/48/48/1105644848.db2.gz MWYZVNGWCCEQOH-UHFFFAOYSA-N 0 1 328.843 2.821 10 30 EFEEMN C#CCN(C(=O)[C@@H](C)Cc1ccccc1F)C1CCN(CC#C)CC1 ZINC001671491787 1105644908 /nfs/dbraw/zinc/64/49/08/1105644908.db2.gz JMRUOMIYKVUYNL-KRWDZBQOSA-N 0 1 340.442 2.564 10 30 EFEEMN CC(C)C#CC(=O)N[C@H](CNCc1cc(C2CC2)no1)C1CCCC1 ZINC001671530064 1105652094 /nfs/dbraw/zinc/65/20/94/1105652094.db2.gz DODQVCNAEWMGGG-LJQANCHMSA-N 0 1 343.471 2.976 10 30 EFEEMN O=C(C#CC1CC1)N[C@H](CNC/C(Cl)=C\Cl)C1CCCC1 ZINC001671531047 1105653171 /nfs/dbraw/zinc/65/31/71/1105653171.db2.gz YKEIYIGIXARLHH-AAWPKVBNSA-N 0 1 329.271 2.983 10 30 EFEEMN C[C@]1(NC(=O)/C=C/c2ccco2)CCN(Cc2cccc(C#N)c2)C1 ZINC001671608715 1105668983 /nfs/dbraw/zinc/66/89/83/1105668983.db2.gz MEJJYIZVICANQP-DUIUGDAFSA-N 0 1 335.407 2.945 10 30 EFEEMN C#CCCCC(=O)N[C@@]1(C)CCN(Cc2oc(C(C)C)nc2C)C1 ZINC001671638608 1105674301 /nfs/dbraw/zinc/67/43/01/1105674301.db2.gz TUWOEHPTYPJWRU-IBGZPJMESA-N 0 1 331.460 2.991 10 30 EFEEMN C#CCOCCC(=O)N[C@]1(C)CCN([C@@H](C)c2cccc(F)c2)C1 ZINC001671642937 1105675661 /nfs/dbraw/zinc/67/56/61/1105675661.db2.gz CJFNZTAPFWMEQM-HNAYVOBHSA-N 0 1 332.419 2.507 10 30 EFEEMN C=CCOCCN1CC[C@@](C)(NC(=O)c2nc(Cl)sc2C)C1 ZINC001671654218 1105679313 /nfs/dbraw/zinc/67/93/13/1105679313.db2.gz 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ZINC001671892546 1105724146 /nfs/dbraw/zinc/72/41/46/1105724146.db2.gz QNPXMPVTJNYWJJ-FQEVSTJZSA-N 0 1 346.446 2.616 10 30 EFEEMN COCC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001671898614 1105725457 /nfs/dbraw/zinc/72/54/57/1105725457.db2.gz SVLRUTDDTQSPIB-WERVVEIQSA-N 0 1 346.515 2.681 10 30 EFEEMN CC#CCCCC(=O)NC[C@@]1(C)CCCN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC001671900429 1105725835 /nfs/dbraw/zinc/72/58/35/1105725835.db2.gz ABRXZRBEVBTGGT-HNAYVOBHSA-N 0 1 345.491 2.586 10 30 EFEEMN COCC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001671908028 1105727745 /nfs/dbraw/zinc/72/77/45/1105727745.db2.gz OCMBKYUBWICLIG-LPHOPBHVSA-N 0 1 348.512 2.720 10 30 EFEEMN CCc1ccsc1C(=O)NC[C@]1(C)CCCN(CC#CCOC)C1 ZINC001671916843 1105731378 /nfs/dbraw/zinc/73/13/78/1105731378.db2.gz RWYYWXKUAQENND-IBGZPJMESA-N 0 1 348.512 2.792 10 30 EFEEMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)[C@H](C)n2cccc2)C1 ZINC001671963190 1105737873 /nfs/dbraw/zinc/73/78/73/1105737873.db2.gz VBUWCXBTPYNJBR-LSDHHAIUSA-N 0 1 325.403 2.699 10 30 EFEEMN C=C[C@](C)(CC)C(=O)NC[C@H]1CN(CCOCC)CCC1(F)F ZINC001671968308 1105739482 /nfs/dbraw/zinc/73/94/82/1105739482.db2.gz JTPQRPVXKZONON-GOEBONIOSA-N 0 1 332.435 2.699 10 30 EFEEMN C=CC(C)(C)C(=O)NC[C@@H]1CN(CCOC(C)C)CCC1(F)F ZINC001671969258 1105740759 /nfs/dbraw/zinc/74/07/59/1105740759.db2.gz VSVSSUSGPPDXBU-CQSZACIVSA-N 0 1 332.435 2.697 10 30 EFEEMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001671972276 1105741743 /nfs/dbraw/zinc/74/17/43/1105741743.db2.gz QDJQWKCVJUZUIB-HOTGVXAUSA-N 0 1 344.446 2.841 10 30 EFEEMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001671972277 1105742519 /nfs/dbraw/zinc/74/25/19/1105742519.db2.gz QDJQWKCVJUZUIB-HZPDHXFCSA-N 0 1 344.446 2.841 10 30 EFEEMN C=CCC[C@@H](C)N1CC(O)(CNC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001672121057 1105757415 /nfs/dbraw/zinc/75/74/15/1105757415.db2.gz NECSXWLRCRBRIF-IEBWSBKVSA-N 0 1 344.499 2.944 10 30 EFEEMN C=CCC[C@H](C)N1CC(O)(CNC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001672121055 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EFEEMN C=C(Cl)CNC[C@H](NC(=O)c1coc(Br)c1)C1CC1 ZINC001392766363 1356309887 /nfs/dbraw/zinc/30/98/87/1356309887.db2.gz RLHDKHTZBVNBSR-NSHDSACASA-N 0 1 347.640 2.893 10 30 EFEEMN C[C@@H](C#N)C(=O)N[C@@H](CNCc1nc(C(C)(C)C)cs1)C1CC1 ZINC001392766110 1356310100 /nfs/dbraw/zinc/31/01/00/1356310100.db2.gz IBNOGSYSUNBGGT-AAEUAGOBSA-N 0 1 334.489 2.585 10 30 EFEEMN C=C(Cl)CNC[C@@H](C)NC(=O)[C@](C)(OC)c1ccccc1F ZINC001374769015 1342160210 /nfs/dbraw/zinc/16/02/10/1342160210.db2.gz DLEUEVMSHKKOPZ-MLGOLLRUSA-N 0 1 328.815 2.534 10 30 EFEEMN C[C@H](C(=O)N[C@@H](C)CNCc1cc(C#N)ccc1F)C(C)(F)F ZINC001374936180 1342251738 /nfs/dbraw/zinc/25/17/38/1342251738.db2.gz RSRCFTCMUKIXLZ-WDEREUQCSA-N 0 1 327.350 2.583 10 30 EFEEMN C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CC12CCOCC2)C1CCCC1 ZINC001393078105 1356569489 /nfs/dbraw/zinc/56/94/89/1356569489.db2.gz WAQPJAWOZOMQPR-JKSUJKDBSA-N 0 1 340.895 2.820 10 30 EFEEMN C[C@H](CN(C)Cc1ccc(C#N)c(F)c1)NC(=O)C1C=CC=CC=C1 ZINC001375045767 1342345215 /nfs/dbraw/zinc/34/52/15/1342345215.db2.gz VNUJUPHCHDYWIY-OAHLLOKOSA-N 0 1 339.414 2.932 10 30 EFEEMN Cc1cc(C)c(C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)c(F)c2)[nH]1 ZINC001375062686 1342366394 /nfs/dbraw/zinc/36/63/94/1342366394.db2.gz HXODPRPKKSRQRX-CQSZACIVSA-N 0 1 342.418 2.893 10 30 EFEEMN C=C(Cl)CNC1(CNC(=O)c2ccc(Cl)cc2)CCOCC1 ZINC001393223986 1356736818 /nfs/dbraw/zinc/73/68/18/1356736818.db2.gz MVNTYEFDMDFLNP-UHFFFAOYSA-N 0 1 343.254 2.961 10 30 EFEEMN COCC(C)(C)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)c(F)c1 ZINC001375082202 1342391465 /nfs/dbraw/zinc/39/14/65/1342391465.db2.gz YXGQCFPXSPVEDR-AWEZNQCLSA-N 0 1 349.450 2.697 10 30 EFEEMN C=C(Cl)CNC[C@H](NC(=O)c1ncnc2sccc21)C1CC1 ZINC001375222165 1342525326 /nfs/dbraw/zinc/52/53/26/1342525326.db2.gz FIDUXKNVKGTBTK-LBPRGKRZSA-N 0 1 336.848 2.542 10 30 EFEEMN C=C(Cl)CNC[C@H](NC(=O)c1cccc2c1COCC2)C1CC1 ZINC001375229549 1342532975 /nfs/dbraw/zinc/53/29/75/1342532975.db2.gz NJMJFSZBLYHVJT-KRWDZBQOSA-N 0 1 334.847 2.610 10 30 EFEEMN Cc1cocc1C(=O)N[C@@H](CNCc1cc(F)ccc1C#N)C1CC1 ZINC001375246021 1342549935 /nfs/dbraw/zinc/54/99/35/1342549935.db2.gz ZBXZFYVSEVFMFO-SFHVURJKSA-N 0 1 341.386 2.897 10 30 EFEEMN N#Cc1ccc(CNC2(CNC(=O)C3(CCF)CC3)CC2)c(F)c1 ZINC001375450327 1342754014 /nfs/dbraw/zinc/75/40/14/1342754014.db2.gz YDTIRRIDVVNPQD-UHFFFAOYSA-N 0 1 333.382 2.576 10 30 EFEEMN CC(C)[C@H](F)C(=O)NC[C@H]1C[C@@H](NCc2cc(F)ccc2C#N)C1 ZINC001375496209 1342802594 /nfs/dbraw/zinc/80/25/94/1342802594.db2.gz GJCOORCAVWIAIO-VUCTXSBTSA-N 0 1 335.398 2.676 10 30 EFEEMN CC(C)[C@H]1C[C@H]1C(=O)NCC1(NCc2ccc(C#N)cc2F)CC1 ZINC001375525725 1342835517 /nfs/dbraw/zinc/83/55/17/1342835517.db2.gz KQMKKERHRBQVNI-HZPDHXFCSA-N 0 1 329.419 2.728 10 30 EFEEMN C=C(Cl)CN(CCOC)C1CCN(C(=O)C2(CCF)CC2)CC1 ZINC001375599598 1342918879 /nfs/dbraw/zinc/91/88/79/1342918879.db2.gz CJUYTEDSYHMREA-UHFFFAOYSA-N 0 1 346.874 2.818 10 30 EFEEMN CC(C)OCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001375603515 1342923288 /nfs/dbraw/zinc/92/32/88/1342923288.db2.gz ABHLHGWXKTXEFW-BHIYHBOVSA-N 0 1 343.471 2.545 10 30 EFEEMN CC(C)OCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001375603526 1342923711 /nfs/dbraw/zinc/92/37/11/1342923711.db2.gz ABHLHGWXKTXEFW-QXAKKESOSA-N 0 1 343.471 2.545 10 30 EFEEMN Cc1csc(CN2CC[C@@H](NC(=O)[C@@H](C)C#N)CC(C)(C)C2)n1 ZINC001375691234 1342932959 /nfs/dbraw/zinc/93/29/59/1342932959.db2.gz MEFWXHQUSHROCW-GXTWGEPZSA-N 0 1 334.489 2.718 10 30 EFEEMN C=C(Cl)CNC[C@H]1CCCN1C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC001375761527 1342984284 /nfs/dbraw/zinc/98/42/84/1342984284.db2.gz MMBIIKCBWJPSNN-XHDPSFHLSA-N 0 1 338.883 2.853 10 30 EFEEMN CCCc1nc(C)c(CNC[C@@H](NC(=O)[C@H](C)C#N)C2CCCC2)o1 ZINC001375787065 1343012352 /nfs/dbraw/zinc/01/23/52/1343012352.db2.gz ZUHJYXLVMCGIGM-CZUORRHYSA-N 0 1 346.475 2.860 10 30 EFEEMN Cc1nc(C(C)C)oc1CN1CCC[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001375938837 1343187891 /nfs/dbraw/zinc/18/78/91/1343187891.db2.gz WMKNDXQRQCCYLL-IFXJQAMLSA-N 0 1 346.475 2.984 10 30 EFEEMN C=C(Cl)CNC1(CNC(=O)Cc2cccc(C)c2)CCOCC1 ZINC001375973594 1343231192 /nfs/dbraw/zinc/23/11/92/1343231192.db2.gz BQMJQRLEOWBAST-UHFFFAOYSA-N 0 1 336.863 2.545 10 30 EFEEMN C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1)n1cccc1 ZINC001376157303 1343361573 /nfs/dbraw/zinc/36/15/73/1343361573.db2.gz XJXMJRZAXGASAT-APWZRJJASA-N 0 1 336.439 2.702 10 30 EFEEMN C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1)n1cccc1 ZINC001376157306 1343362083 /nfs/dbraw/zinc/36/20/83/1343362083.db2.gz XJXMJRZAXGASAT-VQIMIIECSA-N 0 1 336.439 2.702 10 30 EFEEMN CS[C@H](C)C(=O)N[C@@H]1CC12CCN(Cc1ccc(C#N)s1)CC2 ZINC001376165760 1343369052 /nfs/dbraw/zinc/36/90/52/1343369052.db2.gz JTRBLUFEVMPROB-IUODEOHRSA-N 0 1 349.525 2.842 10 30 EFEEMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCCO2)CC1 ZINC001376172004 1343373211 /nfs/dbraw/zinc/37/32/11/1343373211.db2.gz UPVVZLRPQVDQKZ-CABCVRRESA-N 0 1 326.868 2.669 10 30 EFEEMN N#Cc1ccc(F)cc1CN[C@H](CNC(=O)c1ccoc1)C1CC1 ZINC001376194394 1343390832 /nfs/dbraw/zinc/39/08/32/1343390832.db2.gz KRUHBUZAPQIDNA-QGZVFWFLSA-N 0 1 327.359 2.589 10 30 EFEEMN CC1CC(C(=O)NC[C@H](NCc2cc(F)ccc2C#N)C2CC2)C1 ZINC001376215391 1343404225 /nfs/dbraw/zinc/40/42/25/1343404225.db2.gz TUHVHVJHVYZENV-WOOZHMMNSA-N 0 1 329.419 2.728 10 30 EFEEMN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCc2cc(C)ccc2O1)C1CC1 ZINC001376229872 1343412529 /nfs/dbraw/zinc/41/25/29/1343412529.db2.gz LDSMLMZWJBMIRM-WMZOPIPTSA-N 0 1 348.874 2.926 10 30 EFEEMN C=C(Br)CN[C@@H](CNC(=O)[C@H](C)C(F)(F)F)C1CC1 ZINC001376236458 1343417195 /nfs/dbraw/zinc/41/71/95/1343417195.db2.gz CQDXVTDZOOPZSL-WPRPVWTQSA-N 0 1 343.187 2.578 10 30 EFEEMN C=C(Br)CN[C@H](CNC(=O)[C@H](C)c1ccco1)C1CC1 ZINC001376248835 1343426028 /nfs/dbraw/zinc/42/60/28/1343426028.db2.gz BIDXPYCKLMGZKO-DGCLKSJQSA-N 0 1 341.249 2.776 10 30 EFEEMN CC[C@@H]1C[C@H]1C(=O)NC[C@H](NCc1cc(F)ccc1C#N)C1CC1 ZINC001376249367 1343426891 /nfs/dbraw/zinc/42/68/91/1343426891.db2.gz DHLJQELBRRVNQM-PJSAGSTRSA-N 0 1 329.419 2.728 10 30 EFEEMN C=C(Cl)CN[C@H](CNC(=O)c1ncoc1C(C)(C)C)C1CC1 ZINC001376261285 1343435510 /nfs/dbraw/zinc/43/55/10/1343435510.db2.gz MEDZKOFXZKKONC-GFCCVEGCSA-N 0 1 325.840 2.823 10 30 EFEEMN CCc1ccccc1[C@@H](CNC(=O)[C@H](C)C#N)NCc1cccnc1 ZINC001376315796 1343477255 /nfs/dbraw/zinc/47/72/55/1343477255.db2.gz GYHMEJBFNYAYKD-DNVCBOLYSA-N 0 1 336.439 2.751 10 30 EFEEMN CS[C@H](C)CC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001376315755 1343477460 /nfs/dbraw/zinc/47/74/60/1343477460.db2.gz XUCPOSYABVNAPA-DOMZBBRYSA-N 0 1 335.448 2.529 10 30 EFEEMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)OCc2ccccc2C)C1 ZINC001376332987 1343489406 /nfs/dbraw/zinc/48/94/06/1343489406.db2.gz SOJIAPGTPHRWTJ-RDJZCZTQSA-N 0 1 336.863 2.843 10 30 EFEEMN Cc1nsc(C)c1CN1CC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001393764294 1357136297 /nfs/dbraw/zinc/13/62/97/1357136297.db2.gz YNFYLUXLZMDUJX-NHYWBVRUSA-N 0 1 334.489 2.636 10 30 EFEEMN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001376600406 1343713379 /nfs/dbraw/zinc/71/33/79/1343713379.db2.gz AVFQCPKAESFIGT-BBRMVZONSA-N 0 1 338.883 2.551 10 30 EFEEMN CCC[C@H](OC)C(=O)N1CCCC[C@H]1CNCc1ccccc1C#N ZINC001376602419 1343714017 /nfs/dbraw/zinc/71/40/17/1343714017.db2.gz KZTTXAMKWXCLLQ-OALUTQOASA-N 0 1 343.471 2.844 10 30 EFEEMN C=C(Br)CNC[C@H]1CCCCN1C(=O)CO[C@H](C)CC ZINC001376607926 1343717962 /nfs/dbraw/zinc/71/79/62/1343717962.db2.gz VJGQQYMPYJONFR-ZIAGYGMSSA-N 0 1 347.297 2.681 10 30 EFEEMN C=C(Cl)CNC[C@H]1CCCCN1C(=O)c1nnn(C(C)C)c1C ZINC001376683641 1343763731 /nfs/dbraw/zinc/76/37/31/1343763731.db2.gz CTJWBTHWWZJCFV-CQSZACIVSA-N 0 1 339.871 2.504 10 30 EFEEMN C[C@@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)NCc1cc(C#N)ccc1F ZINC001376691925 1343767039 /nfs/dbraw/zinc/76/70/39/1343767039.db2.gz FDVLFCWAQBMLCR-BWUSGFMJSA-N 0 1 329.419 2.728 10 30 EFEEMN C[C@H](C#N)C(=O)NC[C@H](C)NCc1nc(-c2ccccc2)cs1 ZINC001376702966 1343772670 /nfs/dbraw/zinc/77/26/70/1343772670.db2.gz OVZAPQHZVTZHBK-OLZOCXBDSA-N 0 1 328.441 2.564 10 30 EFEEMN C=C(Br)CN[C@H](C)CNC(=O)C[C@H](C)c1ccncc1 ZINC001376762619 1343815475 /nfs/dbraw/zinc/81/54/75/1343815475.db2.gz LBHUFANGGPJQIN-WCQYABFASA-N 0 1 340.265 2.578 10 30 EFEEMN C=C(Br)CNC1(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC001376765252 1343817415 /nfs/dbraw/zinc/81/74/15/1343817415.db2.gz AMPVQHXMRISGKX-ITGUQSILSA-N 0 1 327.266 2.570 10 30 EFEEMN C[C@@H]1C[C@@H](NC(=O)CCCF)CCN1Cc1ccc(C#N)c(F)c1 ZINC001393781986 1357150506 /nfs/dbraw/zinc/15/05/06/1357150506.db2.gz GOHLHGNMSBKSTQ-CJNGLKHVSA-N 0 1 335.398 2.916 10 30 EFEEMN C[C@H](CNC(=O)[C@H]1CC12CCCC2)NCc1cc(C#N)ccc1F ZINC001376841119 1343885502 /nfs/dbraw/zinc/88/55/02/1343885502.db2.gz LCNGSSLEHSWFQN-CZUORRHYSA-N 0 1 329.419 2.872 10 30 EFEEMN C=C(Cl)CNC[C@H]1CN(C(=O)C[C@@H](C)c2ccccc2)CCO1 ZINC001376865930 1343902796 /nfs/dbraw/zinc/90/27/96/1343902796.db2.gz REBJAWPUFBKDSP-PBHICJAKSA-N 0 1 336.863 2.750 10 30 EFEEMN C[C@@H](CNC(=O)c1ccc(C(F)F)o1)NCc1ccccc1C#N ZINC001376877267 1343913050 /nfs/dbraw/zinc/91/30/50/1343913050.db2.gz 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C=CCCCC(=O)N1CC2(C[C@@H]1C)CCN(Cc1cncn1C)CC2 ZINC001656399141 1102052437 /nfs/dbraw/zinc/05/24/37/1102052437.db2.gz VXIOSLVRQXQUBG-KRWDZBQOSA-N 0 1 344.503 2.979 10 30 EFEEMN C=CCC1(C(=O)N2CC[C@H]([C@@H](C)NCc3csnn3)C2)CCC1 ZINC001271532092 1102068861 /nfs/dbraw/zinc/06/88/61/1102068861.db2.gz UIBDVVBVPPEMSS-KGLIPLIRSA-N 0 1 334.489 2.611 10 30 EFEEMN CC(C)OCCC(=O)NC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001266740475 1102074244 /nfs/dbraw/zinc/07/42/44/1102074244.db2.gz RWOSWEPODYOWCN-HXUWFJFHSA-N 0 1 342.483 2.681 10 30 EFEEMN CC(C)OCCC(=O)NC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001266740474 1102074278 /nfs/dbraw/zinc/07/42/78/1102074278.db2.gz RWOSWEPODYOWCN-FQEVSTJZSA-N 0 1 342.483 2.681 10 30 EFEEMN Cc1cc(CNCC[C@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)no1 ZINC001656434594 1102075953 /nfs/dbraw/zinc/07/59/53/1102075953.db2.gz NJHUQNWCNZQVJO-KDOFPFPSSA-N 0 1 329.444 2.503 10 30 EFEEMN Cc1cnc(CNCC[C@@H]2[C@@H](C)CCCN2C(=O)C#CC(C)C)o1 ZINC001656435633 1102079945 /nfs/dbraw/zinc/07/99/45/1102079945.db2.gz 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1102104285 /nfs/dbraw/zinc/10/42/85/1102104285.db2.gz UXYLAHFYPUCAGD-GOSISDBHSA-N 0 1 342.487 2.906 10 30 EFEEMN C=CC(C)(C)CC(=O)N1C[C@@H](CNCc2coc(C)n2)[C@H](OCC)C1 ZINC001656475059 1102104534 /nfs/dbraw/zinc/10/45/34/1102104534.db2.gz FZSDERJAIFJRDU-NVXWUHKLSA-N 0 1 349.475 2.538 10 30 EFEEMN COc1cccc([C@@H](C)N2CCC[C@@H]2CNC(=O)CSCC#N)c1 ZINC001266446415 1102106718 /nfs/dbraw/zinc/10/67/18/1102106718.db2.gz GBJUMBMDHKJFQE-GDBMZVCRSA-N 0 1 347.484 2.594 10 30 EFEEMN COc1cccc([C@@H](C)N2CCC[C@H]2CNC(=O)CSCC#N)c1 ZINC001266446429 1102106898 /nfs/dbraw/zinc/10/68/98/1102106898.db2.gz GBJUMBMDHKJFQE-ZBFHGGJFSA-N 0 1 347.484 2.594 10 30 EFEEMN C=C(C)CCC(=O)NC[C@@H]1CCCN([C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001266752193 1102107938 /nfs/dbraw/zinc/10/79/38/1102107938.db2.gz PHRBCIAQPSQEEC-GJZGRUSLSA-N 0 1 333.480 2.613 10 30 EFEEMN C=CC(C)(C)CC(=O)NC[C@H]1CCCN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001266752464 1102108972 /nfs/dbraw/zinc/10/89/72/1102108972.db2.gz SFUCMNJMYWSOHS-UKRRQHHQSA-N 0 1 333.480 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EFEEMN Cc1csc(CCC(=O)N(C)CCNCc2ccccc2C#N)n1 ZINC001266775064 1102194515 /nfs/dbraw/zinc/19/45/15/1102194515.db2.gz PZDFIYCPRQWHNZ-UHFFFAOYSA-N 0 1 342.468 2.504 10 30 EFEEMN C=CC(C)(C)CC(=O)N1CCC[C@H]([C@@H](C)NCc2cnn(CC)n2)C1 ZINC001271634339 1102195805 /nfs/dbraw/zinc/19/58/05/1102195805.db2.gz FGRZGVCMBGMBDL-CVEARBPZSA-N 0 1 347.507 2.617 10 30 EFEEMN C#CCN1CC[C@H](NC(=O)C[C@H](C)c2cccc(OC)c2)[C@H]1CC ZINC001656763885 1102196163 /nfs/dbraw/zinc/19/61/63/1102196163.db2.gz SBOIDAKHKLPWRH-ZYSHUDEJSA-N 0 1 328.456 2.791 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CCC[C@@H](N(C/C=C\Cl)CCO)C1 ZINC001656783715 1102202651 /nfs/dbraw/zinc/20/26/51/1102202651.db2.gz AUWVYJMDXPVVLO-WUKHSURWSA-N 0 1 328.884 2.627 10 30 EFEEMN C#CCCCCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2nncs2)C1 ZINC001271654255 1102214467 /nfs/dbraw/zinc/21/44/67/1102214467.db2.gz DDUVNKMPZYPUAZ-HZPDHXFCSA-N 0 1 348.516 2.839 10 30 EFEEMN C=C[C@H](CC)CC(=O)N1C[C@H]2CCN(Cc3ocnc3C)C[C@H]2C1 ZINC001656827497 1102214946 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ZINC000872900025 1289452790 /nfs/dbraw/zinc/45/27/90/1289452790.db2.gz MJHLTXVIOJSZSY-WBAXXEDZSA-N 0 1 331.435 2.920 10 30 EFEEMN C=C[C@@](C)(O)CC(=O)Nc1nc2cc(Br)c(F)cc2[nH]1 ZINC001180372459 1289515591 /nfs/dbraw/zinc/51/55/91/1289515591.db2.gz WGHLEMWHWBIDHJ-CYBMUJFWSA-N 0 1 342.168 2.730 10 30 EFEEMN C#CCN(C(=O)NC[C@H]1CCN1Cc1ccccc1)C1CCCC1 ZINC000824160050 1289554904 /nfs/dbraw/zinc/55/49/04/1289554904.db2.gz HCXDIGXFZHFYAX-LJQANCHMSA-N 0 1 325.456 2.848 10 30 EFEEMN C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000873085900 1289560909 /nfs/dbraw/zinc/56/09/09/1289560909.db2.gz MZINVTLDHXNCKM-HZPDHXFCSA-N 0 1 346.475 2.851 10 30 EFEEMN C=CC(C)(C)CCCNC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000873113865 1289574727 /nfs/dbraw/zinc/57/47/27/1289574727.db2.gz NDVYOHCDJYMZQG-QGZVFWFLSA-N 0 1 337.508 2.733 10 30 EFEEMN C#CCOc1ccc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000824634527 1289732505 /nfs/dbraw/zinc/73/25/05/1289732505.db2.gz AISMRFVTLGOHGA-SFTDATJTSA-N 0 1 339.410 2.999 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ZINC000877517746 1291255240 /nfs/dbraw/zinc/25/52/40/1291255240.db2.gz QASDGQQWOYQMJG-HNNXBMFYSA-N 0 1 329.824 2.568 10 30 EFEEMN C#CC[C@@H](COC)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000877662319 1291317440 /nfs/dbraw/zinc/31/74/40/1291317440.db2.gz PVRZVANQGGTQNS-QMMMGPOBSA-N 0 1 333.207 2.547 10 30 EFEEMN C=CC[C@H](C)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000877917329 1291413401 /nfs/dbraw/zinc/41/34/01/1291413401.db2.gz SZTHQQWQQJIYNL-HNNXBMFYSA-N 0 1 342.443 2.827 10 30 EFEEMN C#CC[C@@H]1CCCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C1 ZINC000826017413 1291479863 /nfs/dbraw/zinc/47/98/63/1291479863.db2.gz ZMYDTVQJGXYQSW-OAHLLOKOSA-N 0 1 331.435 2.832 10 30 EFEEMN C=CC[C@H](C(=O)OC)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000878083986 1291485595 /nfs/dbraw/zinc/48/55/95/1291485595.db2.gz LDAUULWPEKKAFZ-UKRRQHHQSA-N 0 1 340.464 2.729 10 30 EFEEMN C[C@H](CN(C)C(=O)c1cccn1C)NCC#Cc1ccc(Cl)cc1 ZINC001277760413 1312864434 /nfs/dbraw/zinc/86/44/34/1312864434.db2.gz UNZATEJBJREADF-OAHLLOKOSA-N 0 1 343.858 2.780 10 30 EFEEMN C=CCCC(=O)N(C)C[C@H](C)NCc1ccn(-c2ccc(F)cc2)n1 ZINC001277770213 1312868514 /nfs/dbraw/zinc/86/85/14/1312868514.db2.gz BCOBJJIVOYPHTF-HNNXBMFYSA-N 0 1 344.434 2.914 10 30 EFEEMN C=CC[C@H](C(=O)OC)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000878556008 1291713714 /nfs/dbraw/zinc/71/37/14/1291713714.db2.gz LSHAWPPFLVRNJN-HUUCEWRRSA-N 0 1 340.464 2.731 10 30 EFEEMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878606079 1291732140 /nfs/dbraw/zinc/73/21/40/1291732140.db2.gz HAYMLUKITJAEKM-GOSISDBHSA-N 0 1 335.444 2.736 10 30 EFEEMN COCC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001276310181 1291754985 /nfs/dbraw/zinc/75/49/85/1291754985.db2.gz FKULOTVLGXRKBR-ZGXWSNOMSA-N 0 1 346.515 2.823 10 30 EFEEMN C#CC[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000775399645 1292228220 /nfs/dbraw/zinc/22/82/20/1292228220.db2.gz FKSCJAHMSSFOEB-FHWLQOOXSA-N 0 1 326.440 2.511 10 30 EFEEMN C#CC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000775401161 1292230862 /nfs/dbraw/zinc/23/08/62/1292230862.db2.gz VICOEDHELXVWLY-IBGZPJMESA-N 0 1 338.432 2.686 10 30 EFEEMN C#CC[C@@H](NCC(=O)NCCN1CCc2ccccc21)c1ccccc1 ZINC000775398365 1292243423 /nfs/dbraw/zinc/24/34/23/1292243423.db2.gz HKMVKDLFEOJHRJ-HXUWFJFHSA-N 0 1 347.462 2.520 10 30 EFEEMN N#Cc1cnccc1N1CCN(Cc2cccc3cccnc32)CC1 ZINC000775434558 1292460319 /nfs/dbraw/zinc/46/03/19/1292460319.db2.gz OQZQEVARPFESSI-UHFFFAOYSA-N 0 1 329.407 2.824 10 30 EFEEMN C#CCC1(O)CCN([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000880482074 1292515212 /nfs/dbraw/zinc/51/52/12/1292515212.db2.gz WPYQRRCCVRMMRK-JKSUJKDBSA-N 0 1 346.496 2.650 10 30 EFEEMN C#CCC1(O)CCN([C@H](CC)C(=O)N(C)c2ccc(C)cc2)CC1 ZINC000880482500 1292515234 /nfs/dbraw/zinc/51/52/34/1292515234.db2.gz KVLYGWKMGPEGSK-GOSISDBHSA-N 0 1 328.456 2.587 10 30 EFEEMN C#CCC1(O)CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000880481406 1292515933 /nfs/dbraw/zinc/51/59/33/1292515933.db2.gz SCPZOXBJKPWGDM-UHFFFAOYSA-N 0 1 349.858 2.894 10 30 EFEEMN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCCN1CC(=O)N1CCCC1 ZINC001276320680 1292745319 /nfs/dbraw/zinc/74/53/19/1292745319.db2.gz VEENLLWAKURSQV-YLJYHZDGSA-N 0 1 349.519 2.572 10 30 EFEEMN CCC#C[C@H](C)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC001192081291 1292760142 /nfs/dbraw/zinc/76/01/42/1292760142.db2.gz WDUQRMWYIOIQCS-INIZCTEOSA-N 0 1 329.444 2.572 10 30 EFEEMN CCC#C[C@@H](C)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC001192081293 1292761127 /nfs/dbraw/zinc/76/11/27/1292761127.db2.gz WDUQRMWYIOIQCS-MRXNPFEDSA-N 0 1 329.444 2.572 10 30 EFEEMN COCC#CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001276326546 1292780572 /nfs/dbraw/zinc/78/05/72/1292780572.db2.gz IHUYTIFVHOFUBD-MSOLQXFVSA-N 0 1 346.471 2.702 10 30 EFEEMN C#CCN1CCCCC[C@@H]1CNC(=O)C1(c2cccc(F)c2)CC1 ZINC001276326467 1292781581 /nfs/dbraw/zinc/78/15/81/1292781581.db2.gz HGFIWCCLPHLUEB-GOSISDBHSA-N 0 1 328.431 2.851 10 30 EFEEMN C=CCC[C@@H](C)N1CC2(C1)CC[C@@H](CNC(=O)c1ccnc(F)c1)O2 ZINC001273647143 1293039424 /nfs/dbraw/zinc/03/94/24/1293039424.db2.gz QGTCQHCOOBNDNI-ZBFHGGJFSA-N 0 1 347.434 2.539 10 30 EFEEMN C=CCC[C@H](C)N1CC2(C1)CC[C@H](CNC(=O)c1ncccc1C)O2 ZINC001273654121 1293181323 /nfs/dbraw/zinc/18/13/23/1293181323.db2.gz DOYLDLCCFPQGRB-DLBZAZTESA-N 0 1 343.471 2.708 10 30 EFEEMN C=CCCCN1CC2(C1)CC[C@@H](CNC(=O)c1c(C)coc1C)O2 ZINC001273655895 1293252912 /nfs/dbraw/zinc/25/29/12/1293252912.db2.gz QXVPEXYFPNXISL-INIZCTEOSA-N 0 1 332.444 2.826 10 30 EFEEMN C=CCC[C@@H](C)N1CC2(C1)CC[C@H](CNC(=O)c1cocc1C)O2 ZINC001273661361 1293372277 /nfs/dbraw/zinc/37/22/77/1293372277.db2.gz HQJBBJRSYRNQMR-HZPDHXFCSA-N 0 1 332.444 2.906 10 30 EFEEMN C#CCC1(O)CCN(c2nccc3cc(OC)c(OC)cc32)CC1 ZINC000882968002 1293408809 /nfs/dbraw/zinc/40/88/09/1293408809.db2.gz ZFOWWTRPFKZOQE-UHFFFAOYSA-N 0 1 326.396 2.607 10 30 EFEEMN N#CCCCNS(=O)(=O)c1oc2ccccc2c1Br ZINC000867090620 1293483679 /nfs/dbraw/zinc/48/36/79/1293483679.db2.gz YBYRTBAOWOMBNN-UHFFFAOYSA-N 0 1 343.202 2.777 10 30 EFEEMN C=C(C)CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)c1cccnc1)O2 ZINC001273668823 1293500967 /nfs/dbraw/zinc/50/09/67/1293500967.db2.gz HPVUAWNYXYJIDI-WMZOPIPTSA-N 0 1 343.471 2.501 10 30 EFEEMN C=CCC[C@@H](C)N1CC2(C1)CC[C@H](CNC(=O)C1(CF)CCC1)O2 ZINC001273669943 1293518938 /nfs/dbraw/zinc/51/89/38/1293518938.db2.gz YRDXJAWIFXCIDP-HZPDHXFCSA-N 0 1 338.467 2.831 10 30 EFEEMN C=C(C)C[C@@H](CO)NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000883488717 1293610853 /nfs/dbraw/zinc/61/08/53/1293610853.db2.gz SUBUYAIJNZVGPP-JKSUJKDBSA-N 0 1 339.867 2.569 10 30 EFEEMN C[C@@H](CN(C)C(=O)C#CC1CC1)NCC#Cc1ccc(Cl)cc1 ZINC001277819601 1313022242 /nfs/dbraw/zinc/02/22/42/1313022242.db2.gz OBDQWNZPRVQJMF-HNNXBMFYSA-N 0 1 328.843 2.541 10 30 EFEEMN N#CCc1ccsc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000867111816 1293778023 /nfs/dbraw/zinc/77/80/23/1293778023.db2.gz JHJCWXLZIUOYIU-ZDUSSCGKSA-N 0 1 341.440 2.829 10 30 EFEEMN C=CCCCC(=O)N[C@H](C)C1CN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC001276423911 1313030213 /nfs/dbraw/zinc/03/02/13/1313030213.db2.gz XCSHZXAXVIOGTA-RDTXWAMCSA-N 0 1 334.435 2.652 10 30 EFEEMN C=CCCC(=O)N1CCC[C@H]1CNCC(=O)Nc1cc(C)ccc1C ZINC001277824042 1313032947 /nfs/dbraw/zinc/03/29/47/1313032947.db2.gz RLCYPDOFARHNQH-KRWDZBQOSA-N 0 1 343.471 2.789 10 30 EFEEMN C#CCCCC(=O)NC/C=C/CNCC#Cc1ccc(Cl)cc1 ZINC001273982890 1293873757 /nfs/dbraw/zinc/87/37/57/1293873757.db2.gz JUHXWFSEQKURHT-AATRIKPKSA-N 0 1 328.843 2.757 10 30 EFEEMN C=CCC[C@@H](C)N1CC2(C1)C[C@H](NC(=O)c1c(C)coc1C)CO2 ZINC001273695123 1293875695 /nfs/dbraw/zinc/87/56/95/1293875695.db2.gz CMWKIVGRRPOGQX-ZBFHGGJFSA-N 0 1 332.444 2.824 10 30 EFEEMN CC(C)(C)C#CC(=O)N[C@@H]1COC2(CN(CC3CCCCCC3)C2)C1 ZINC001273695398 1293878220 /nfs/dbraw/zinc/87/82/20/1293878220.db2.gz FQPXDVXGXKPYAE-SFHVURJKSA-N 0 1 346.515 2.966 10 30 EFEEMN C=C(Br)CNCCN(CC)C(=O)[C@@H]1CCO[C@@H](CC)C1 ZINC001273701599 1293957873 /nfs/dbraw/zinc/95/78/73/1293957873.db2.gz BVGVADCIQUUJSD-KGLIPLIRSA-N 0 1 347.297 2.538 10 30 EFEEMN CCCCOCC(=O)N1CCC[C@@H]1CNCc1cc(F)ccc1C#N ZINC001277831122 1313055905 /nfs/dbraw/zinc/05/59/05/1313055905.db2.gz 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CC#CCN(C)CCOCCN(C)C(=O)c1ccccc1C(C)C ZINC001264106135 1316590616 /nfs/dbraw/zinc/59/06/16/1316590616.db2.gz OTBWORPPDYVIOU-UHFFFAOYSA-N 0 1 330.472 2.854 10 30 EFEEMN C=CCOCCN1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)[C@H]1C ZINC001264147500 1316591623 /nfs/dbraw/zinc/59/16/23/1316591623.db2.gz QHXPVZCPIHDJRR-OLZOCXBDSA-N 0 1 342.386 2.921 10 30 EFEEMN C=CCC1(C(=O)N[C@H]2CCN(Cc3cccnc3)[C@@H]2C)CCOCC1 ZINC001264171086 1316594256 /nfs/dbraw/zinc/59/42/56/1316594256.db2.gz YRKCYZVYJNCLMX-AEFFLSMTSA-N 0 1 343.471 2.534 10 30 EFEEMN C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCCN1C(=O)C=C(CC)CC ZINC001264180467 1316595385 /nfs/dbraw/zinc/59/53/85/1316595385.db2.gz FMJCHNXLHIGMPX-WMZOPIPTSA-N 0 1 349.519 2.736 10 30 EFEEMN C#CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)n1C ZINC001264182993 1316596632 /nfs/dbraw/zinc/59/66/32/1316596632.db2.gz DMKCCSWANVQNFE-LBPRGKRZSA-N 0 1 342.270 2.892 10 30 EFEEMN C#CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)OCc1cccc(C)c1 ZINC001264184116 1316597140 /nfs/dbraw/zinc/59/71/40/1316597140.db2.gz 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C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2nnc(C)n2C2CC2)C1 ZINC001264404356 1316613215 /nfs/dbraw/zinc/61/32/15/1316613215.db2.gz BNCLQWHTXQNQOG-GASCZTMLSA-N 0 1 345.491 2.508 10 30 EFEEMN C=CCCC(=O)N1CC2(C[C@@H]1C)CCN(Cc1cc(C)ncn1)CC2 ZINC001264495824 1316620598 /nfs/dbraw/zinc/62/05/98/1316620598.db2.gz PZBWVBNZIJFTKE-KRWDZBQOSA-N 0 1 342.487 2.954 10 30 EFEEMN C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1CCNCc1cnn(CC)n1 ZINC001264511292 1316624121 /nfs/dbraw/zinc/62/41/21/1316624121.db2.gz HDMCJGHQGLESBI-WMZOPIPTSA-N 0 1 347.507 2.761 10 30 EFEEMN C=C[C@@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cnnn1CC ZINC001264558286 1316631363 /nfs/dbraw/zinc/63/13/63/1316631363.db2.gz KEHVNWCJFQVRLI-IKGGRYGDSA-N 0 1 347.507 2.617 10 30 EFEEMN C=CCCC(=O)N[C@@H]1[C@@H]2CCCN(Cc3cnc(C)cn3)[C@@H]2C1(C)C ZINC001264585424 1316635109 /nfs/dbraw/zinc/63/51/09/1316635109.db2.gz BEZWIOQWIZAFJU-UHOSZYNNSA-N 0 1 342.487 2.856 10 30 EFEEMN C#CCCCC(=O)N[C@@H]1[C@H]2CCCN(Cc3cnc(C)o3)[C@H]2C1(C)C ZINC001264585533 1316635283 /nfs/dbraw/zinc/63/52/83/1316635283.db2.gz CTFSOTHMMWXXBM-BHIYHBOVSA-N 0 1 343.471 2.892 10 30 EFEEMN C=CCCC(=O)N[C@@H]1[C@@H]2CCCN(Cc3nccnc3C)[C@H]2C1(C)C ZINC001264586563 1316636306 /nfs/dbraw/zinc/63/63/06/1316636306.db2.gz RHOPKEHWUHENGV-KFKAGJAMSA-N 0 1 342.487 2.856 10 30 EFEEMN C=CCOCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(C)C)C1 ZINC001264596030 1316639285 /nfs/dbraw/zinc/63/92/85/1316639285.db2.gz FSCUBHADQRAYDO-RTBURBONSA-N 0 1 348.462 2.958 10 30 EFEEMN CC[C@@H]1[C@@H](NC(=O)C[C@H](C)OC)CCN1CC#Cc1ccc(F)cc1 ZINC001264603069 1316640251 /nfs/dbraw/zinc/64/02/51/1316640251.db2.gz WRRKGELRAKMQNL-ZYSHUDEJSA-N 0 1 346.446 2.571 10 30 EFEEMN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(Cc2nccnc2C)[C@@H]1CC ZINC001264617209 1316642907 /nfs/dbraw/zinc/64/29/07/1316642907.db2.gz FACCULYTEUPEIU-WDYCEAGBSA-N 0 1 330.476 2.856 10 30 EFEEMN C#CCN1CC[C@H](NC(=O)CCCOc2ccccc2F)[C@H]1CC ZINC001264625285 1316643390 /nfs/dbraw/zinc/64/33/90/1316643390.db2.gz AFBAJIVSMYMSOD-DLBZAZTESA-N 0 1 332.419 2.587 10 30 EFEEMN CC(C)C#CC(=O)N1C[C@H]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001264642918 1316647107 /nfs/dbraw/zinc/64/71/07/1316647107.db2.gz WQVVJEXHLBZQIK-SJORKVTESA-N 0 1 346.421 2.905 10 30 EFEEMN CC[C@H](C)C(=O)N(C)CCOCCN(C)CC#Cc1ccc(F)cc1 ZINC001264661354 1316649868 /nfs/dbraw/zinc/64/98/68/1316649868.db2.gz MXVWRYPOXAXJLL-KRWDZBQOSA-N 0 1 348.462 2.630 10 30 EFEEMN CC#CCN(C)CCOCCN(C)C(=O)C(C)(C)c1ccc(C)cc1 ZINC001264669062 1316651361 /nfs/dbraw/zinc/65/13/61/1316651361.db2.gz HROKWJSDOSWXLQ-UHFFFAOYSA-N 0 1 344.499 2.703 10 30 EFEEMN C#CCN1CC[C@@H](OCC2CCN(C(=O)C[C@H](C)CCC)CC2)C1 ZINC001264669484 1316651601 /nfs/dbraw/zinc/65/16/01/1316651601.db2.gz VLQKHDGICJEXKP-IEBWSBKVSA-N 0 1 334.504 2.775 10 30 EFEEMN Cc1nnc([C@@H](C)N[C@@H]2CCCCCN(C(=O)C#CC(C)(C)C)C2)[nH]1 ZINC001264675688 1316653220 /nfs/dbraw/zinc/65/32/20/1316653220.db2.gz JIMOCASJPRZIRM-GDBMZVCRSA-N 0 1 345.491 2.584 10 30 EFEEMN C#CCCCCCC(=O)N1CCCCC[C@H](NCc2nccn2C)C1 ZINC001264680035 1316654315 /nfs/dbraw/zinc/65/43/15/1316654315.db2.gz QGIRPDBTXXKVIX-SFHVURJKSA-N 0 1 344.503 2.865 10 30 EFEEMN C=C(C)[C@H](CC(=O)N[C@H]1CCN(Cc2cccnc2)[C@@H]1C)OCC ZINC001264704127 1316658319 /nfs/dbraw/zinc/65/83/19/1316658319.db2.gz RBKWTFLWZDHAKN-NJAFHUGGSA-N 0 1 331.460 2.532 10 30 EFEEMN C=C(C)[C@@H](CC(=O)N[C@H]1CCN(Cc2cccnc2)[C@@H]1C)OCC ZINC001264704126 1316658590 /nfs/dbraw/zinc/65/85/90/1316658590.db2.gz RBKWTFLWZDHAKN-BPQIPLTHSA-N 0 1 331.460 2.532 10 30 EFEEMN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc3nonc3c2)[C@@H]1C ZINC001264703003 1316658648 /nfs/dbraw/zinc/65/86/48/1316658648.db2.gz RJQFKFUOIUHDMX-HIFRSBDPSA-N 0 1 328.416 2.658 10 30 EFEEMN CC#CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001264740002 1316662936 /nfs/dbraw/zinc/66/29/36/1316662936.db2.gz ADHYUVFRKTZTHT-GBESFXJTSA-N 0 1 325.456 2.521 10 30 EFEEMN COCC#CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001264740380 1316663335 /nfs/dbraw/zinc/66/33/35/1316663335.db2.gz PXQMUVRTNSJWRN-FUMNGEBKSA-N 0 1 344.499 2.551 10 30 EFEEMN C#CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001264742821 1316663917 /nfs/dbraw/zinc/66/39/17/1316663917.db2.gz IUECGMKKGXXZDL-HKUYNNGSSA-N 0 1 340.467 2.726 10 30 EFEEMN C#CCCNCc1nc2c(s1)CCN(C(=O)[C@@H]1CC[C@H](C)C1)C2 ZINC001264748483 1316666279 /nfs/dbraw/zinc/66/62/79/1316666279.db2.gz ROGORKSPGFTWGY-UONOGXRCSA-N 0 1 331.485 2.577 10 30 EFEEMN C#CCCNCc1nc2c(s1)CCN(C(=O)[C@H](C)C1CCCC1)C2 ZINC001264749827 1316666879 /nfs/dbraw/zinc/66/68/79/1316666879.db2.gz LRIKFDCNPDVYKE-CQSZACIVSA-N 0 1 345.512 2.967 10 30 EFEEMN C#CCCNCc1nc2c(s1)CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 ZINC001264750075 1316666992 /nfs/dbraw/zinc/66/69/92/1316666992.db2.gz RLPZXFQLQWYTNA-SHTZXODSSA-N 0 1 345.512 2.967 10 30 EFEEMN C[C@H](c1cnccn1)N1CC[C@@H](NC(=O)C#CC2CC2)CC(C)(C)C1 ZINC001264751565 1316667380 /nfs/dbraw/zinc/66/73/80/1316667380.db2.gz KRENCMHGULRKIW-NVXWUHKLSA-N 0 1 340.471 2.558 10 30 EFEEMN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(Cc2n[nH]c(C)n2)CC(C)(C)C1 ZINC001264753912 1316668987 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CCCc1nc(CN[C@@H](C)CCNC(=O)c2ccc(C#N)[nH]2)cs1 ZINC001402820970 1364068790 /nfs/dbraw/zinc/06/87/90/1364068790.db2.gz INNGVOHXIGQRRT-LBPRGKRZSA-N 0 1 345.472 2.594 10 30 EFEEMN C[C@@H](CNC(=O)[C@H]1CCCC12CC2)NCc1cc(C#N)ccc1F ZINC001402915392 1364130894 /nfs/dbraw/zinc/13/08/94/1364130894.db2.gz JVVSCZLLHLOOMI-XJKSGUPXSA-N 0 1 329.419 2.872 10 30 EFEEMN C[C@@H](NC(=O)c1ccccc1)[C@H](C)NCc1ccc(C#N)cc1F ZINC001402958646 1364162687 /nfs/dbraw/zinc/16/26/87/1364162687.db2.gz RZLBQTSCXWVEGR-UONOGXRCSA-N 0 1 325.387 2.994 10 30 EFEEMN Cc1cncc(C(=O)N[C@@H](C)[C@H](C)NCc2cc(C#N)ccc2F)c1 ZINC001402959211 1364162953 /nfs/dbraw/zinc/16/29/53/1364162953.db2.gz FGVZEDDMMDJTDB-KBPBESRZSA-N 0 1 340.402 2.697 10 30 EFEEMN C=C(Br)CN[C@H](C)[C@H](C)NC(=O)Cc1cccs1 ZINC001402961370 1364163942 /nfs/dbraw/zinc/16/39/42/1364163942.db2.gz XQSPBVWARJFUPN-MNOVXSKESA-N 0 1 331.279 2.682 10 30 EFEEMN C[C@@H](NC(=O)C1(F)CCCC1)[C@H](C)NCc1cc(C#N)ccc1F ZINC001402996729 1364194991 /nfs/dbraw/zinc/19/49/91/1364194991.db2.gz GXDZGTXTDMSGAA-QWHCGFSZSA-N 0 1 335.398 2.962 10 30 EFEEMN C=C(Cl)CN[C@@H](C)[C@@H](C)NC(=O)c1ccnc(-n2cccc2)c1 ZINC001403003945 1364202840 /nfs/dbraw/zinc/20/28/40/1364202840.db2.gz PWZLXVMOOKYKKD-UONOGXRCSA-N 0 1 332.835 2.721 10 30 EFEEMN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)c1ccnc(-n2cccc2)c1 ZINC001403003924 1364203131 /nfs/dbraw/zinc/20/31/31/1364203131.db2.gz PWZLXVMOOKYKKD-KBPBESRZSA-N 0 1 332.835 2.721 10 30 EFEEMN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)c1cccc(C(F)(F)F)n1 ZINC001403008703 1364208102 /nfs/dbraw/zinc/20/81/02/1364208102.db2.gz CHYNBDNWIXKYCX-UWVGGRQHSA-N 0 1 335.757 2.949 10 30 EFEEMN C=C(Br)CN[C@H](C)[C@H](C)NC(=O)c1c(F)cccc1F ZINC001403010302 1364209956 /nfs/dbraw/zinc/20/99/56/1364209956.db2.gz MTGOAEIADCYWED-ZJUUUORDSA-N 0 1 347.203 2.970 10 30 EFEEMN CCc1c(C(=O)N[C@H](C)[C@H](C)NCc2ccccc2C#N)ccn1C ZINC001403014675 1364215516 /nfs/dbraw/zinc/21/55/16/1364215516.db2.gz OCBWQTUHZJOFHI-LSDHHAIUSA-N 0 1 338.455 2.756 10 30 EFEEMN C[C@@H](NCc1ccccc1C#N)[C@@H](C)NC(=O)c1ncoc1C1CC1 ZINC001403017675 1364217728 /nfs/dbraw/zinc/21/77/28/1364217728.db2.gz ICGUNCYAPCSLTF-CHWSQXEVSA-N 0 1 338.411 2.720 10 30 EFEEMN C=C(Cl)CN[C@@H](C)[C@@H](C)NC(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001403040666 1364245183 /nfs/dbraw/zinc/24/51/83/1364245183.db2.gz SHKGEAWKHXAFBZ-NWDGAFQWSA-N 0 1 325.840 2.589 10 30 EFEEMN C[C@@H](NCc1cc(C#N)ccc1F)[C@H](C)NC(=O)C1CC2(CC2)C1 ZINC001403045627 1364249842 /nfs/dbraw/zinc/24/98/42/1364249842.db2.gz IXWBERLCSVVGAG-OLZOCXBDSA-N 0 1 329.419 2.870 10 30 EFEEMN C[C@@H](NCc1cc(C#N)ccc1F)[C@@H](C)NC(=O)C1CC2(CC2)C1 ZINC001403045589 1364250193 /nfs/dbraw/zinc/25/01/93/1364250193.db2.gz IXWBERLCSVVGAG-CHWSQXEVSA-N 0 1 329.419 2.870 10 30 EFEEMN CN(CCNC(=O)C[C@@H]1Cc2ccccc2O1)Cc1cccc(C#N)c1 ZINC001437465056 1387669580 /nfs/dbraw/zinc/66/95/80/1387669580.db2.gz DPRDTDFBDXWRNM-IBGZPJMESA-N 0 1 349.434 2.500 10 30 EFEEMN Cc1ccc([C@H](C)C(=O)NC[C@H](C)NCc2cc(C#N)ccc2F)o1 ZINC001403072647 1364276169 /nfs/dbraw/zinc/27/61/69/1364276169.db2.gz VYMNHHCBIXKHDJ-JSGCOSHPSA-N 0 1 343.402 2.997 10 30 EFEEMN Cc1noc(C)c1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)c(F)c1 ZINC001403100933 1364308600 /nfs/dbraw/zinc/30/86/00/1364308600.db2.gz USEHNDTXZLRUNL-LLVKDONJSA-N 0 1 344.390 2.553 10 30 EFEEMN CC[C@@H](C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(OC)c(C#N)c1 ZINC001403106616 1364315666 /nfs/dbraw/zinc/31/56/66/1364315666.db2.gz LIGKIHBAFZYMLS-HUUCEWRRSA-N 0 1 331.460 2.940 10 30 EFEEMN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)[C@H](C)c1ccccc1F ZINC001403112333 1364322922 /nfs/dbraw/zinc/32/29/22/1364322922.db2.gz GSEPWQVBUGVRQV-CHWSQXEVSA-N 0 1 328.391 2.837 10 30 EFEEMN C=C(Br)CN[C@H](C)CNC(=O)[C@H]1CC2CCC1CC2 ZINC001403161681 1364381813 /nfs/dbraw/zinc/38/18/13/1364381813.db2.gz KDSZOYUSRPIWHB-RYSNWHEDSA-N 0 1 329.282 2.816 10 30 EFEEMN COc1ccc(CN(C)[C@@H](C)CNC(=O)[C@H](C)C(C)C)cc1C#N ZINC001403198574 1364426641 /nfs/dbraw/zinc/42/66/41/1364426641.db2.gz XXBZENIUINAAJK-LSDHHAIUSA-N 0 1 331.460 2.795 10 30 EFEEMN CC(C)CCO[C@H](C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001403213546 1364439181 /nfs/dbraw/zinc/43/91/81/1364439181.db2.gz FFQFHIWDZVZFCR-APWZRJJASA-N 0 1 343.471 2.700 10 30 EFEEMN CCCC[C@H](CNCc1cc(C#N)ccc1F)NC(=O)[C@@H](C)C#N ZINC001403284653 1364500229 /nfs/dbraw/zinc/50/02/29/1364500229.db2.gz WNHLVZAZCMMIOL-XJKSGUPXSA-N 0 1 330.407 2.622 10 30 EFEEMN C[C@@H](NC(=O)[C@H](C)c1ccco1)C1CN(Cc2cccc(C#N)c2)C1 ZINC001403325506 1364543198 /nfs/dbraw/zinc/54/31/98/1364543198.db2.gz LOBXELMTZOJSNC-HUUCEWRRSA-N 0 1 337.423 2.891 10 30 EFEEMN C[C@@H](NC(=O)[C@@H](C)c1cccnc1)C1CN(Cc2cccc(C#N)c2)C1 ZINC001403355601 1364566316 /nfs/dbraw/zinc/56/63/16/1364566316.db2.gz QUODWLRWZXGCPZ-JKSUJKDBSA-N 0 1 348.450 2.693 10 30 EFEEMN C[C@H](CCNC(=O)[C@@H](C)C#N)NCc1coc(-c2cccs2)n1 ZINC001403359906 1364570527 /nfs/dbraw/zinc/57/05/27/1364570527.db2.gz OVYVOCGZHPAXBG-NWDGAFQWSA-N 0 1 332.429 2.547 10 30 EFEEMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)Cn3ccc4ccccc43)[C@@H]2C1 ZINC001403426003 1364630613 /nfs/dbraw/zinc/63/06/13/1364630613.db2.gz UCLNTDCGTTYDBY-OSYLJGHBSA-N 0 1 343.858 2.688 10 30 EFEEMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)Cc3cc(C)ccc3F)[C@@H]2C1 ZINC001403443289 1364646365 /nfs/dbraw/zinc/64/63/65/1364646365.db2.gz FJBSTCZWHYNJEO-PHZGNYQRSA-N 0 1 336.838 2.723 10 30 EFEEMN N#Cc1ccc(F)cc1CNC[C@H]1C[C@H](NC(=O)C2(CCF)CC2)C1 ZINC001403444221 1364646908 /nfs/dbraw/zinc/64/69/08/1364646908.db2.gz JUVXWFGUWNWDPV-WJYNOGRTSA-N 0 1 347.409 2.822 10 30 EFEEMN CCCCc1nc(CNC[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)cs1 ZINC001403480409 1364686686 /nfs/dbraw/zinc/68/66/86/1364686686.db2.gz GLYCUJJUTGOMLV-IHRRRGAJSA-N 0 1 334.489 2.630 10 30 EFEEMN COc1ccc(C#N)cc1CN[C@@H](C)CN(C)C(=O)[C@@H](C)CSC ZINC001403518666 1364725045 /nfs/dbraw/zinc/72/50/45/1364725045.db2.gz CYOGQDZKCMLGBB-KBPBESRZSA-N 0 1 349.500 2.502 10 30 EFEEMN C=C(Br)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC(F)(F)C1 ZINC001403567305 1364769096 /nfs/dbraw/zinc/76/90/96/1364769096.db2.gz NMZIUXFCUPWFQS-QWRGUYRKSA-N 0 1 339.224 2.767 10 30 EFEEMN C=C(Cl)CN[C@H](C)CN(C)C(=O)C1([C@H]2CCCCO2)CCC1 ZINC001403591096 1364794771 /nfs/dbraw/zinc/79/47/71/1364794771.db2.gz SHKWLIYRXOOWNV-HUUCEWRRSA-N 0 1 328.884 2.915 10 30 EFEEMN C=C(Br)CN[C@@H](C)CN(C)C(=O)c1cc(C)c(C)cn1 ZINC001403592238 1364795846 /nfs/dbraw/zinc/79/58/46/1364795846.db2.gz YCLIQSCWUHEHIR-ZDUSSCGKSA-N 0 1 340.265 2.657 10 30 EFEEMN C[C@H](CN(C)C(=O)C1(C(F)F)CCC1)NCc1ccccc1C#N ZINC001403596341 1364799706 /nfs/dbraw/zinc/79/97/06/1364799706.db2.gz LIXJUMRJSIFJLG-CYBMUJFWSA-N 0 1 335.398 2.930 10 30 EFEEMN C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc21)NCc1ccccc1C#N ZINC001403596561 1364800377 /nfs/dbraw/zinc/80/03/77/1364800377.db2.gz VNPKIPJURJVEFC-QRWLVFNGSA-N 0 1 333.435 2.835 10 30 EFEEMN C[C@H](CN(C)C(=O)[C@@H](C)c1ccco1)NCc1ccccc1C#N ZINC001403599019 1364803863 /nfs/dbraw/zinc/80/38/63/1364803863.db2.gz MIQLOLYFSLHWRM-CABCVRRESA-N 0 1 325.412 2.891 10 30 EFEEMN C[C@@H](Cc1ccco1)C(=O)NCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001403694445 1364869630 /nfs/dbraw/zinc/86/96/30/1364869630.db2.gz CIXNPGTVBXBQLY-AWEZNQCLSA-N 0 1 343.402 2.717 10 30 EFEEMN CN(CCNC(=O)[C@@H]1C[C@H]1c1ccccc1)Cc1cccc(C#N)c1 ZINC001403750448 1364900913 /nfs/dbraw/zinc/90/09/13/1364900913.db2.gz MMQXTHVUMAZMIJ-VQTJNVASSA-N 0 1 333.435 2.910 10 30 EFEEMN COc1ccc(C(=O)NCCN(C)Cc2ccc(C#N)c(F)c2)cc1 ZINC001403757466 1364907063 /nfs/dbraw/zinc/90/70/63/1364907063.db2.gz IISZNDFUUSLGSX-UHFFFAOYSA-N 0 1 341.386 2.568 10 30 EFEEMN CN(CCNC(=O)c1cc2c(s1)CCC2)Cc1cccc(C#N)c1 ZINC001403763634 1364912115 /nfs/dbraw/zinc/91/21/15/1364912115.db2.gz KQFYAHWLFGHKEA-UHFFFAOYSA-N 0 1 339.464 2.970 10 30 EFEEMN CCCc1nc(C)c(CN2CC[C@]3(NC(=O)[C@@H](C)C#N)CCC[C@@H]23)o1 ZINC001403774303 1364923294 /nfs/dbraw/zinc/92/32/94/1364923294.db2.gz DXGSHVFHVJUBHR-URKNILKWSA-N 0 1 344.459 2.708 10 30 EFEEMN C=C(Cl)CNC[C@H](O)CN(C)C(=O)C/C=C\c1ccc(C)cc1 ZINC001403868792 1365007507 /nfs/dbraw/zinc/00/75/07/1365007507.db2.gz FFOPXERHXCUKOI-CHYADLBTSA-N 0 1 336.863 2.560 10 30 EFEEMN C=C(Cl)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001403876914 1365012900 /nfs/dbraw/zinc/01/29/00/1365012900.db2.gz JWSYSRFSNWNKQE-SWLSCSKDSA-N 0 1 345.270 2.605 10 30 EFEEMN CCN(CCNC(=O)[C@H]1C[C@H]1C(C)C)Cc1ccc(F)c(C#N)c1 ZINC001403936944 1365069454 /nfs/dbraw/zinc/06/94/54/1365069454.db2.gz YPIYGCFTBHLJLC-IRXDYDNUSA-N 0 1 331.435 2.928 10 30 EFEEMN CC[C@H](OC)C(=O)N[C@@H](CNCc1ccccc1C#N)C(C)(C)C ZINC001403955566 1365099942 /nfs/dbraw/zinc/09/99/42/1365099942.db2.gz PGCMVKDGBTVFFE-IRXDYDNUSA-N 0 1 331.460 2.604 10 30 EFEEMN CC(C)(C)[C@H](CNCc1ccccc1C#N)NC(=O)C[C@@H]1CCOC1 ZINC001403961353 1365105457 /nfs/dbraw/zinc/10/54/57/1365105457.db2.gz VFHSMWPTOOPNMB-YJBOKZPZSA-N 0 1 343.471 2.605 10 30 EFEEMN CC(C)CO[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC001403963963 1365109898 /nfs/dbraw/zinc/10/98/98/1365109898.db2.gz BJZKCEXBMOYZIO-LPHOPBHVSA-N 0 1 343.471 2.700 10 30 EFEEMN C[C@@H](C#N)C(=O)N[C@@H](CNCc1nc2ccccc2o1)C(C)(C)C ZINC001403964888 1365110512 /nfs/dbraw/zinc/11/05/12/1365110512.db2.gz ZVDMSNQQHRICLK-WFASDCNBSA-N 0 1 328.416 2.608 10 30 EFEEMN C[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccc(C#N)cc1)c1cccnc1 ZINC001404020505 1365175883 /nfs/dbraw/zinc/17/58/83/1365175883.db2.gz LWDZUWVKDPQOTF-UZLBHIALSA-N 0 1 348.450 2.838 10 30 EFEEMN N#Cc1ccccc1CN1CC[C@@H](CNC(=O)CCc2ccco2)C1 ZINC001404041272 1365199965 /nfs/dbraw/zinc/19/99/65/1365199965.db2.gz ISOBYYRWMLFOAZ-INIZCTEOSA-N 0 1 337.423 2.722 10 30 EFEEMN N#Cc1ccccc1CN1CC[C@@H](CNC(=O)C2(C(F)F)CC2)C1 ZINC001404068303 1365226778 /nfs/dbraw/zinc/22/67/78/1365226778.db2.gz PTORUXXUPQRGRI-ZDUSSCGKSA-N 0 1 333.382 2.542 10 30 EFEEMN CCCN(CCNC(=O)[C@H]1CCO[C@H](C)C1)Cc1ccc(C#N)s1 ZINC001404155339 1365312794 /nfs/dbraw/zinc/31/27/94/1365312794.db2.gz LFYXTBDDKPRPOP-CABCVRRESA-N 0 1 349.500 2.763 10 30 EFEEMN COc1cccc(CN[C@H](CNC(=O)[C@H](C)C#N)c2ccccc2)c1 ZINC001404382273 1365487361 /nfs/dbraw/zinc/48/73/61/1365487361.db2.gz RATSZLMCJSEAMT-DNVCBOLYSA-N 0 1 337.423 2.802 10 30 EFEEMN 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C=CCC1(C(=O)N2CC[C@H]([C@@H](C)NCc3nncs3)C2)CCC1 ZINC001271531310 1102067289 /nfs/dbraw/zinc/06/72/89/1102067289.db2.gz LTOKJHKMURGISW-KGLIPLIRSA-N 0 1 334.489 2.611 10 30 EFEEMN CS[C@H](C)C(=O)NC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC001266740157 1102070217 /nfs/dbraw/zinc/07/02/17/1102070217.db2.gz LCFKLMNKDKYLRG-WBVHZDCISA-N 0 1 348.487 2.757 10 30 EFEEMN CS[C@@H](C)C(=O)NC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC001266740156 1102072096 /nfs/dbraw/zinc/07/20/96/1102072096.db2.gz LCFKLMNKDKYLRG-RDJZCZTQSA-N 0 1 348.487 2.757 10 30 EFEEMN Cc1nc(CNCC[C@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)cs1 ZINC001656433950 1102073228 /nfs/dbraw/zinc/07/32/28/1102073228.db2.gz GBTLENJUMIEUPQ-KDOFPFPSSA-N 0 1 345.512 2.972 10 30 EFEEMN COc1ccc(CN2CCC[C@@H](CNC(=O)C=C(C)C)C2)cc1C#N ZINC001266740382 1102074710 /nfs/dbraw/zinc/07/47/10/1102074710.db2.gz PLNVILZQULOWIQ-KRWDZBQOSA-N 0 1 341.455 2.861 10 30 EFEEMN C=CCCC(=O)NC[C@H]1CCCN(CC(=O)N2CCCC[C@H]2CC)C1 ZINC001266743192 1102077660 /nfs/dbraw/zinc/07/76/60/1102077660.db2.gz KIZDOCSVNDNTMB-QZTJIDSGSA-N 0 1 349.519 2.572 10 30 EFEEMN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC001266744115 1102080473 /nfs/dbraw/zinc/08/04/73/1102080473.db2.gz VPVHHCUEJYAYPK-RDJZCZTQSA-N 0 1 343.858 2.679 10 30 EFEEMN CN1CCC(C#N)(NC(=O)Nc2ccc(Br)cc2)CC1 ZINC000398632373 1102082035 /nfs/dbraw/zinc/08/20/35/1102082035.db2.gz SDHFHINIYNYCNL-UHFFFAOYSA-N 0 1 337.221 2.559 10 30 EFEEMN COCCCCC(=O)NC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001266744513 1102082353 /nfs/dbraw/zinc/08/23/53/1102082353.db2.gz YXRDPGAKSSBSPT-FQEVSTJZSA-N 0 1 342.483 2.683 10 30 EFEEMN C#CCCOc1ccc(C(=O)NC[C@@H]2CCCN(CCF)C2)cc1 ZINC001266749344 1102093759 /nfs/dbraw/zinc/09/37/59/1102093759.db2.gz HMFCOFXZHFTETJ-INIZCTEOSA-N 0 1 332.419 2.500 10 30 EFEEMN COc1cccc([C@H](C)N2CCC[C@@H]2CNC(=O)CSCC#N)c1 ZINC001266446427 1102105454 /nfs/dbraw/zinc/10/54/54/1102105454.db2.gz GBJUMBMDHKJFQE-GOEBONIOSA-N 0 1 347.484 2.594 10 30 EFEEMN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1CNC(=O)CSCC#N ZINC001266447224 1102108490 /nfs/dbraw/zinc/10/84/90/1102108490.db2.gz QDYSWVRWEAIIMK-XJKSGUPXSA-N 0 1 335.448 2.724 10 30 EFEEMN C=C(C)[C@H](CC(=O)NC[C@@H]1CCCN(Cc2cnoc2C)C1)OCC ZINC001266752711 1102110232 /nfs/dbraw/zinc/11/02/32/1102110232.db2.gz VHGCUKQCRGGTOO-WMZOPIPTSA-N 0 1 349.475 2.683 10 30 EFEEMN Cc1csc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C#CC(C)C)n1 ZINC001656538278 1102117220 /nfs/dbraw/zinc/11/72/20/1102117220.db2.gz KNRUWXHLOHFKTD-ZBFHGGJFSA-N 0 1 333.501 2.828 10 30 EFEEMN CC(C)C#CC(=O)NC[C@@H]1CCCN1CC[C@H]1CC1(Cl)Cl ZINC001266461120 1102173494 /nfs/dbraw/zinc/17/34/94/1102173494.db2.gz JZQJTJPKAWGTEF-KBPBESRZSA-N 0 1 331.287 2.810 10 30 EFEEMN C#CCCCCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccn(C)n1 ZINC001656563495 1102122551 /nfs/dbraw/zinc/12/25/51/1102122551.db2.gz ANTGWSNDDRDAFW-MJGOQNOKSA-N 0 1 344.503 2.721 10 30 EFEEMN C=CCC[C@H](C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2CC(C)(C)C2)n1 ZINC001656639475 1102145086 /nfs/dbraw/zinc/14/50/86/1102145086.db2.gz KDRJXSKWLGHFQZ-ZDUSSCGKSA-N 0 1 346.475 2.679 10 30 EFEEMN C=C1CC(C)(C(=O)NC[C@H]2CCCN(Cc3conc3CC)C2)C1 ZINC001266760954 1102145175 /nfs/dbraw/zinc/14/51/75/1102145175.db2.gz PUXYIJSJTDBVLC-OAHLLOKOSA-N 0 1 331.460 2.922 10 30 EFEEMN C=CCC[C@H](C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H](C)C(C)(C)C)n1 ZINC001656643342 1102147825 /nfs/dbraw/zinc/14/78/25/1102147825.db2.gz SKXGLRPTFBOURQ-UONOGXRCSA-N 0 1 348.491 2.925 10 30 EFEEMN C=CCC(C)(C)C(=O)NC[C@H]1CCCN([C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001266764076 1102156071 /nfs/dbraw/zinc/15/60/71/1102156071.db2.gz KVEKHJPWTWDCAV-LSDHHAIUSA-N 0 1 347.507 2.859 10 30 EFEEMN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCO)CC[C@@H]1c1ccc(F)cc1 ZINC001656673387 1102168710 /nfs/dbraw/zinc/16/87/10/1102168710.db2.gz HRUKNKOTAFJVBM-ATZDWAIDSA-N 0 1 348.462 2.694 10 30 EFEEMN C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001266464743 1102178653 /nfs/dbraw/zinc/17/86/53/1102178653.db2.gz HJHXOOIPQHEAFL-GOSISDBHSA-N 0 1 342.483 2.962 10 30 EFEEMN C=C(C)[C@@H](CC(=O)NC[C@@H]1CCCN1Cc1cnccc1C)OCC ZINC001266465209 1102181746 /nfs/dbraw/zinc/18/17/46/1102181746.db2.gz QQFIFFQLLORCLF-RBUKOAKNSA-N 0 1 345.487 2.842 10 30 EFEEMN C#CCOCCC(=O)NC[C@@H]1CCCN1[C@@H](C)c1ccccc1F ZINC001266465598 1102182686 /nfs/dbraw/zinc/18/26/86/1102182686.db2.gz YDUYMZWRFQATBE-HOTGVXAUSA-N 0 1 332.419 2.507 10 30 EFEEMN C=C(C)[C@@H](CC(=O)NC[C@@H]1CCCN1Cc1cccnc1C)OCC ZINC001266465551 1102184176 /nfs/dbraw/zinc/18/41/76/1102184176.db2.gz XNZRPEYKCXWNGR-RBUKOAKNSA-N 0 1 345.487 2.842 10 30 EFEEMN C=CCCCC(=O)N1CCC[C@H](CN(C)Cc2cncc(OC)n2)C1 ZINC001266466080 1102184359 /nfs/dbraw/zinc/18/43/59/1102184359.db2.gz IPRYSPKNDULLSJ-MRXNPFEDSA-N 0 1 346.475 2.512 10 30 EFEEMN C=C[C@H](CC)CC(=O)N1CCC[C@H](CN(C)Cc2cncn2C)C1 ZINC001266466202 1102185565 /nfs/dbraw/zinc/18/55/65/1102185565.db2.gz KPPKDSPSCDFTSK-IAGOWNOFSA-N 0 1 332.492 2.693 10 30 EFEEMN C=CCOCCN1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@H]1CC ZINC001656733822 1102186846 /nfs/dbraw/zinc/18/68/46/1102186846.db2.gz GHAFSCDRDMHDBJ-NWDGAFQWSA-N 0 1 343.880 2.582 10 30 EFEEMN C=CCN1CC[C@@H](N2CC[C@H](NC(=O)CC(CC)CC)[C@H]2CC)C1=O ZINC001656749189 1102191837 /nfs/dbraw/zinc/19/18/37/1102191837.db2.gz OXIOILMBAPDNNM-RCCFBDPRSA-N 0 1 349.519 2.569 10 30 EFEEMN C#CCN1CC[C@H](NC(=O)[C@@H](CC)Oc2ccccc2F)[C@H]1CC ZINC001656752348 1102192465 /nfs/dbraw/zinc/19/24/65/1102192465.db2.gz CBHSMZSSOOZKAQ-GVDBMIGSSA-N 0 1 332.419 2.585 10 30 EFEEMN C=CCC(CC=C)C(=O)N1CCC[C@@H]([C@H](C)NCc2cnon2)C1 ZINC001271635031 1102194705 /nfs/dbraw/zinc/19/47/05/1102194705.db2.gz JBLOBDPFYBWRPN-GOEBONIOSA-N 0 1 332.448 2.555 10 30 EFEEMN CC(C)C#CC(=O)N1CCC[C@@H]([C@@H](C)NCc2ncc(C3CC3)o2)C1 ZINC001271635709 1102197591 /nfs/dbraw/zinc/19/75/91/1102197591.db2.gz MBHZKFUDNNCRAU-NVXWUHKLSA-N 0 1 343.471 2.928 10 30 EFEEMN C#CCN(CCO)[C@H]1CCCN(C(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001656783780 1102202254 /nfs/dbraw/zinc/20/22/54/1102202254.db2.gz CBXKXJQJLMDLIY-PMACEKPBSA-N 0 1 348.531 2.902 10 30 EFEEMN C=CCCC(=O)N1C[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C[C@H]2C1 ZINC001656796402 1102208431 /nfs/dbraw/zinc/20/84/31/1102208431.db2.gz ABLXEVXNFKXJTA-AEFFLSMTSA-N 0 1 341.430 2.944 10 30 EFEEMN CC#CCCCC(=O)N1C[C@H](C)[C@@H](CNCc2nnc(C(C)C)o2)C1 ZINC001271649892 1102209273 /nfs/dbraw/zinc/20/92/73/1102209273.db2.gz TYUAKCLSTUQYKP-HOTGVXAUSA-N 0 1 346.475 2.571 10 30 EFEEMN C=CCCCC(=O)N1C[C@H]2CCN(Cc3cc(OC)ccn3)C[C@H]2C1 ZINC001656831210 1102217699 /nfs/dbraw/zinc/21/76/99/1102217699.db2.gz ZXUVBWDWUWODAK-SJORKVTESA-N 0 1 343.471 2.727 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)NCc2cnsn2)C1 ZINC001271666784 1102221359 /nfs/dbraw/zinc/22/13/59/1102221359.db2.gz SWUOBDMBWSAYIM-ZIAGYGMSSA-N 0 1 336.505 2.857 10 30 EFEEMN C=CCCCC(=O)N1C[C@@H](C)[C@@H](CNCc2nnc(C(C)C)o2)C1 ZINC001271661534 1102226636 /nfs/dbraw/zinc/22/66/36/1102226636.db2.gz ZCUMUTXMSVTIIS-CABCVRRESA-N 0 1 334.464 2.733 10 30 EFEEMN C#CCN1CC[C@H](OCC2CCN(C(=O)C(CC=C)CC=C)CC2)C1 ZINC001656877381 1102233533 /nfs/dbraw/zinc/23/35/33/1102233533.db2.gz MODDUKFLNJHIHD-FQEVSTJZSA-N 0 1 344.499 2.718 10 30 EFEEMN C=C1CCC(C(=O)NC[C@@H]2CCCN2[C@@H](C)C(=O)N(CC)CC)CC1 ZINC001266480508 1102235576 /nfs/dbraw/zinc/23/55/76/1102235576.db2.gz SGJYJJZMZOEJIK-WMZOPIPTSA-N 0 1 349.519 2.570 10 30 EFEEMN CC#CCN1CCC[C@@H]1CNC(=O)C(C)(C)c1cccc(OC)c1 ZINC001266488026 1102245605 /nfs/dbraw/zinc/24/56/05/1102245605.db2.gz AXLNNRDBMCFVPS-QGZVFWFLSA-N 0 1 328.456 2.577 10 30 EFEEMN C#Cc1ccc(C(=O)N(C)CCNCc2cccc(F)c2F)cc1 ZINC001266797665 1102262533 /nfs/dbraw/zinc/26/25/33/1102262533.db2.gz DVZVESMZDPDDIE-UHFFFAOYSA-N 0 1 328.362 2.808 10 30 EFEEMN C#CCCCCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cnns1 ZINC001482492732 1102266220 /nfs/dbraw/zinc/26/62/20/1102266220.db2.gz JIHPHXSKBXIJNQ-NVXWUHKLSA-N 0 1 348.516 2.839 10 30 EFEEMN C#CCCCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1cnns1 ZINC001482492742 1102266444 /nfs/dbraw/zinc/26/64/44/1102266444.db2.gz JIHPHXSKBXIJNQ-WBVHZDCISA-N 0 1 348.516 2.839 10 30 EFEEMN C#Cc1ccc(C(=O)N(C)CCNCc2oc(CCC)nc2C)cc1 ZINC001266799106 1102266821 /nfs/dbraw/zinc/26/68/21/1102266821.db2.gz ZVOJWABVARESEK-UHFFFAOYSA-N 0 1 339.439 2.779 10 30 EFEEMN C=C(C)CCC(=O)N[C@H]1CCN(C[C@@H]2COc3ccccc3O2)[C@@H]1C ZINC001656957854 1102271140 /nfs/dbraw/zinc/27/11/40/1102271140.db2.gz XZGDOLPIYFONRW-ZACQAIPSSA-N 0 1 344.455 2.762 10 30 EFEEMN CC#CCN1CC[C@H](NC(=O)CCOc2cc(C)cc(C)c2)[C@H]1C ZINC001656957267 1102272243 /nfs/dbraw/zinc/27/22/43/1102272243.db2.gz NITYBLZMNQTKHN-MJGOQNOKSA-N 0 1 328.456 2.675 10 30 EFEEMN CC#CCCCC(=O)N1CCC[C@@H](CNCc2nc(C)oc2C)C1 ZINC001266801801 1102273770 /nfs/dbraw/zinc/27/37/70/1102273770.db2.gz SGGXNBVYXNSXDV-KRWDZBQOSA-N 0 1 331.460 2.813 10 30 EFEEMN C=CCCCC(=O)N1CCC[C@@H](CNCc2cn(C(C)C)nn2)C1 ZINC001266805239 1102282834 /nfs/dbraw/zinc/28/28/34/1102282834.db2.gz YCQHMCJSQGFAOE-INIZCTEOSA-N 0 1 333.480 2.544 10 30 EFEEMN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(OC)nc1 ZINC001266498980 1102283288 /nfs/dbraw/zinc/28/32/88/1102283288.db2.gz KHMQKQCWKOKCKW-CALCHBBNSA-N 0 1 344.459 2.520 10 30 EFEEMN COCC#CCN1CC[C@H](NC(=O)CC(C2CCC2)C2CCC2)[C@H]1C ZINC001657002031 1102284689 /nfs/dbraw/zinc/28/46/89/1102284689.db2.gz RWLWTXWCMKEGFA-UZLBHIALSA-N 0 1 346.515 2.822 10 30 EFEEMN CC#CCN1CC[C@H](NC(=O)COc2c(C)cc(C)cc2C)[C@H]1C ZINC001657032865 1102293294 /nfs/dbraw/zinc/29/32/94/1102293294.db2.gz DVUVIQZIYWOVFE-MSOLQXFVSA-N 0 1 328.456 2.593 10 30 EFEEMN C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCCN1C(=O)CC1CCCC1 ZINC001657056145 1102300018 /nfs/dbraw/zinc/30/00/18/1102300018.db2.gz OGHMOXWWZSWURL-WMZOPIPTSA-N 0 1 349.519 2.570 10 30 EFEEMN CC#CCN(C)C[C@@H]1CCCCN1C(=O)c1coc(C(C)(C)C)n1 ZINC001657063629 1102304045 /nfs/dbraw/zinc/30/40/45/1102304045.db2.gz VJGXLKLAQPOSRZ-HNNXBMFYSA-N 0 1 331.460 2.922 10 30 EFEEMN C=CCCNCc1nc2c(s1)CCN(C(=O)Cc1occc1C)C2 ZINC001657091252 1102322907 /nfs/dbraw/zinc/32/29/07/1102322907.db2.gz IHPBAIMZMBTGEP-UHFFFAOYSA-N 0 1 345.468 2.838 10 30 EFEEMN C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CC(C)(C)C1 ZINC001657095895 1102327262 /nfs/dbraw/zinc/32/72/62/1102327262.db2.gz HXVNEPVSQADRAN-CQSZACIVSA-N 0 1 334.464 2.610 10 30 EFEEMN CC(C)C#CC(=O)N[C@@H]1CCN(Cc2cncc(F)c2)CC(C)(C)C1 ZINC001657095844 1102327986 /nfs/dbraw/zinc/32/79/86/1102327986.db2.gz HHOGGTKPECVYIQ-GOSISDBHSA-N 0 1 345.462 2.987 10 30 EFEEMN C=CCOCC(=O)N[C@H]1CCN(Cc2cncc(F)c2)CC(C)(C)C1 ZINC001657097313 1102330081 /nfs/dbraw/zinc/33/00/81/1102330081.db2.gz VXEPUNTYXZPWCE-KRWDZBQOSA-N 0 1 349.450 2.530 10 30 EFEEMN C=C1CC(C)(C(=O)N(C)CCN[C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC001266832253 1102385730 /nfs/dbraw/zinc/38/57/30/1102385730.db2.gz YTPXGZSZZRULHI-INIZCTEOSA-N 0 1 343.471 2.726 10 30 EFEEMN CCCCOCC(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC001266836613 1102396531 /nfs/dbraw/zinc/39/65/31/1102396531.db2.gz BOHNLSTYACKTJH-LJQANCHMSA-N 0 1 343.471 2.846 10 30 EFEEMN C#CCCCCC(=O)NC[C@H]1CCN(Cc2ccc(OC)c(F)c2)C1 ZINC001266509978 1102397261 /nfs/dbraw/zinc/39/72/61/1102397261.db2.gz XDAGSSWNLXGADG-QGZVFWFLSA-N 0 1 346.446 2.966 10 30 EFEEMN O=C(CC(F)(F)F)N1CC[C@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001266510480 1102401768 /nfs/dbraw/zinc/40/17/68/1102401768.db2.gz JNJAWRBACCACET-AWEZNQCLSA-N 0 1 344.764 2.834 10 30 EFEEMN C=C(Br)CNC/C=C/CNC(=O)c1ccc(F)s1 ZINC001669219273 1102411850 /nfs/dbraw/zinc/41/18/50/1102411850.db2.gz KLXHOWQVAJOEEV-NSCUHMNNSA-N 0 1 333.226 2.671 10 30 EFEEMN CC#CCN1CCCC[C@H]1CNC(=O)COC/C=C/c1ccccc1 ZINC001266843776 1102413190 /nfs/dbraw/zinc/41/31/90/1102413190.db2.gz BNCWLDVIPLQIFC-JTPHSUOKSA-N 0 1 340.467 2.710 10 30 EFEEMN C=C(C)CCC(=O)NC[C@@H]1CCCCN1CCO[C@H]1CC1(F)F ZINC001266845135 1102414506 /nfs/dbraw/zinc/41/45/06/1102414506.db2.gz UQKHKFFJDZLMPW-GJZGRUSLSA-N 0 1 330.419 2.738 10 30 EFEEMN CC#CCN1CCCC[C@H]1CNC(=O)CCOc1cccc(F)c1 ZINC001266845464 1102415976 /nfs/dbraw/zinc/41/59/76/1102415976.db2.gz ZOGUHRKEOORAPK-KRWDZBQOSA-N 0 1 332.419 2.589 10 30 EFEEMN C#Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CNCC(=C)Cl)nc1 ZINC001482500800 1102420880 /nfs/dbraw/zinc/42/08/80/1102420880.db2.gz WZMDNMMRGJDAKZ-GUYCJALGSA-N 0 1 331.847 2.646 10 30 EFEEMN CC/C(C)=C\C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC001266511921 1102422354 /nfs/dbraw/zinc/42/23/54/1102422354.db2.gz UUCIJMQZYCYKMI-WPMUKRGUSA-N 0 1 329.419 2.992 10 30 EFEEMN C=C(Br)CNCCN(C)C(=O)[C@@H](F)c1ccccc1 ZINC001266848012 1102426114 /nfs/dbraw/zinc/42/61/14/1102426114.db2.gz HCJFTQZTVLAUNP-ZDUSSCGKSA-N 0 1 329.213 2.654 10 30 EFEEMN C=CCCC(=O)N1CCC(CCN(C)Cc2cc(C)n(C)n2)CC1 ZINC001482503020 1102443396 /nfs/dbraw/zinc/44/33/96/1102443396.db2.gz ZYISAGDXTRJAHA-UHFFFAOYSA-N 0 1 332.492 2.755 10 30 EFEEMN C#CCCCC(=O)N1CCC(CCN(C)[C@H](C)c2ncccn2)CC1 ZINC001482503129 1102443470 /nfs/dbraw/zinc/44/34/70/1102443470.db2.gz DQEIFNQMNNZPMT-QGZVFWFLSA-N 0 1 342.487 2.902 10 30 EFEEMN C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCN1Cc1cn(C)nc1C ZINC001266853111 1102456472 /nfs/dbraw/zinc/45/64/72/1102456472.db2.gz FQKXSUYPJBQIDR-AEFFLSMTSA-N 0 1 332.492 2.802 10 30 EFEEMN CC#CCCCC(=O)NC[C@H]1CCCCN1CCO[C@H]1CC1(F)F ZINC001266853065 1102456681 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RBZPPXTUDULKJU-KRWDZBQOSA-N 0 1 343.471 2.653 10 30 EFEEMN CCCN(CC#Cc1ccc(Cl)cc1)CCNC(=O)COCC ZINC001493273945 1102476145 /nfs/dbraw/zinc/47/61/45/1102476145.db2.gz OVWUAKDWLYQIES-UHFFFAOYSA-N 0 1 336.863 2.556 10 30 EFEEMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001266857235 1102479213 /nfs/dbraw/zinc/47/92/13/1102479213.db2.gz KKQGWKUKXKZAHB-LPHOPBHVSA-N 0 1 346.446 2.725 10 30 EFEEMN C=CCCOCC(=O)NC[C@@H]1CCCCN1Cc1ccc(C)nc1C ZINC001266859730 1102487507 /nfs/dbraw/zinc/48/75/07/1102487507.db2.gz OGWMMRMKERSUCY-IBGZPJMESA-N 0 1 345.487 2.762 10 30 EFEEMN C#CCCCC(=O)N1CC[C@H](N[C@H]2CCc3c2c(F)ccc3F)C1 ZINC001266522499 1102508759 /nfs/dbraw/zinc/50/87/59/1102508759.db2.gz MWZSKBUZPSHQMS-GUYCJALGSA-N 0 1 332.394 2.946 10 30 EFEEMN CCc1[nH]ccc1C(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001266522568 1102508972 /nfs/dbraw/zinc/50/89/72/1102508972.db2.gz PLUPZNUFCKEOCH-KRWDZBQOSA-N 0 1 339.414 2.572 10 30 EFEEMN C#CCCCC(=O)N1CC[C@H](NCc2nc(C(C)(C)C)cs2)C1 ZINC001266522662 1102509022 /nfs/dbraw/zinc/50/90/22/1102509022.db2.gz SQBZIKIRHTUZSF-AWEZNQCLSA-N 0 1 333.501 2.935 10 30 EFEEMN C#CCCCCC(=O)N1CCCC[C@H]1CNCc1csnc1OC ZINC001266865990 1102519180 /nfs/dbraw/zinc/51/91/80/1102519180.db2.gz GBZBCKQALZBUIJ-INIZCTEOSA-N 0 1 349.500 2.816 10 30 EFEEMN C#C[C@H]1CCCN(CC(=O)NCCOc2ccc(C(C)C)cc2)C1 ZINC001659177273 1102524042 /nfs/dbraw/zinc/52/40/42/1102524042.db2.gz FOCJMRACPRAXQW-KRWDZBQOSA-N 0 1 328.456 2.650 10 30 EFEEMN C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C=CCC1 ZINC001266526625 1102529330 /nfs/dbraw/zinc/52/93/30/1102529330.db2.gz WZMRTAVUBCXXMG-OXQOHEQNSA-N 0 1 341.430 2.992 10 30 EFEEMN C[C@@]1(C(=O)NC[C@H]2CCN(Cc3ccc(C#N)cc3F)C2)C=CCC1 ZINC001266526625 1102529337 /nfs/dbraw/zinc/52/93/37/1102529337.db2.gz WZMRTAVUBCXXMG-OXQOHEQNSA-N 0 1 341.430 2.992 10 30 EFEEMN C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC001659352070 1102535212 /nfs/dbraw/zinc/53/52/12/1102535212.db2.gz GCEKNGDDYRXIMN-RDJZCZTQSA-N 0 1 329.444 2.689 10 30 EFEEMN C=CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC001659352373 1102536306 /nfs/dbraw/zinc/53/63/06/1102536306.db2.gz LFQASGMSIDRUSS-KRWDZBQOSA-N 0 1 347.528 2.680 10 30 EFEEMN C#CCCCC(=O)N1CC[C@@H](NCc2ccn(C(CC)CC)n2)C1 ZINC001659538756 1102546878 /nfs/dbraw/zinc/54/68/78/1102546878.db2.gz LYLLDLBIJBASAV-QGZVFWFLSA-N 0 1 330.476 2.738 10 30 EFEEMN C=C[C@@](C)(CCOC)C(=O)N1CCCC[C@H]1CNCc1cnoc1C ZINC001266872692 1102554207 /nfs/dbraw/zinc/55/42/07/1102554207.db2.gz NJFHEGWXKXUIHM-HKUYNNGSSA-N 0 1 349.475 2.683 10 30 EFEEMN C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNCc1cc(C)ncn1 ZINC001266876406 1102565037 /nfs/dbraw/zinc/56/50/37/1102565037.db2.gz MBKPEHLJMSXQPO-AEFFLSMTSA-N 0 1 330.476 2.858 10 30 EFEEMN COc1ccc(C=C(C)C(=O)[C@H](C#N)C(=O)N2CCCC2)cc1F ZINC000588447268 1102571869 /nfs/dbraw/zinc/57/18/69/1102571869.db2.gz FOGYZZQSKSSEQZ-UQTJOTSZSA-N 0 1 330.359 2.569 10 30 EFEEMN CC(F)(F)C1(C(=O)NC[C@@H]2CCN(CC#Cc3ccccc3)C2)CC1 ZINC001266532925 1102575251 /nfs/dbraw/zinc/57/52/51/1102575251.db2.gz BZILMPMHUVCRQW-KRWDZBQOSA-N 0 1 346.421 2.912 10 30 EFEEMN C#CCN(C(=O)CCC(C)C)C1CCN(Cc2cccnc2)CC1 ZINC001671456653 1102576213 /nfs/dbraw/zinc/57/62/13/1102576213.db2.gz QYIUEMCAKZDZFT-UHFFFAOYSA-N 0 1 327.472 2.944 10 30 EFEEMN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC(=O)NC(C)C ZINC001266884852 1102586384 /nfs/dbraw/zinc/58/63/84/1102586384.db2.gz AECDPVVLSVZNFX-ROUUACIJSA-N 0 1 349.519 2.713 10 30 EFEEMN N#CCSCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1C/C=C\Cl ZINC001266885292 1102587203 /nfs/dbraw/zinc/58/72/03/1102587203.db2.gz DOZOFCHWEARPRM-DGPIVGRDSA-N 0 1 341.908 2.841 10 30 EFEEMN Cc1[nH]ccc1C(=O)NCCCN(C)Cc1cc(C#N)ccc1F ZINC001660094655 1102595855 /nfs/dbraw/zinc/59/58/55/1102595855.db2.gz NHVZPGWFFBCMGJ-UHFFFAOYSA-N 0 1 328.391 2.586 10 30 EFEEMN CN(CCCNC(=O)C[C@@H]1CCCCO1)Cc1ccc(C#N)cc1F ZINC001660099123 1102597109 /nfs/dbraw/zinc/59/71/09/1102597109.db2.gz KWOFUHYSHKJBAL-KRWDZBQOSA-N 0 1 347.434 2.595 10 30 EFEEMN Cc1ncoc1CN1CCC[C@@H]([C@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001266889678 1102599532 /nfs/dbraw/zinc/59/95/32/1102599532.db2.gz FCKDEXZKGASGQX-GOEBONIOSA-N 0 1 331.460 2.749 10 30 EFEEMN C=CCCOCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1oc(C)nc1C ZINC001271758955 1102605858 /nfs/dbraw/zinc/60/58/58/1102605858.db2.gz KDKNVFKZIDJXCL-RHSMWYFYSA-N 0 1 349.475 2.601 10 30 EFEEMN C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cnc(C)cn2)C1 ZINC001266890776 1102607794 /nfs/dbraw/zinc/60/77/94/1102607794.db2.gz MAUTTYXNMOPWNK-IRXDYDNUSA-N 0 1 330.476 2.858 10 30 EFEEMN CC(C)[C@@H](C)C(=O)NC[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC001266537457 1102613243 /nfs/dbraw/zinc/61/32/43/1102613243.db2.gz LYPHQGWPHGHKSM-AEFFLSMTSA-N 0 1 330.447 2.907 10 30 EFEEMN COCC(C)(C)C(=O)N1CC[C@H](NCC#Cc2ccccc2Cl)C1 ZINC001266538289 1102624113 /nfs/dbraw/zinc/62/41/13/1102624113.db2.gz GPNNEALSGACYEJ-INIZCTEOSA-N 0 1 348.874 2.555 10 30 EFEEMN CN(CC#Cc1cccc(Cl)c1)CCCNC(=O)c1cc(F)c[nH]1 ZINC001660229452 1102646931 /nfs/dbraw/zinc/64/69/31/1102646931.db2.gz IURTWWLRYRUYBR-UHFFFAOYSA-N 0 1 347.821 2.911 10 30 EFEEMN Cc1cnc(C(=O)NCCCN(C)CC#Cc2ccccc2)cc1C ZINC001660235128 1102650220 /nfs/dbraw/zinc/65/02/20/1102650220.db2.gz MYLKWSSEGHUPLA-UHFFFAOYSA-N 0 1 335.451 2.802 10 30 EFEEMN C[C@H](CN(C)Cc1ccc(F)c(C#N)c1)NC(=O)C#CC(C)(C)C ZINC001669811786 1102653161 /nfs/dbraw/zinc/65/31/61/1102653161.db2.gz QUGJUXQJWJXOGN-CQSZACIVSA-N 0 1 329.419 2.683 10 30 EFEEMN C#CCCCCC(=O)NC1CCC(N[C@H](C)c2nnc(CC)o2)CC1 ZINC001266907745 1102658782 /nfs/dbraw/zinc/65/87/82/1102658782.db2.gz GXZJORHQZFQCBC-QQFBHYJXSA-N 0 1 346.475 2.904 10 30 EFEEMN CN(CC#Cc1ccccc1)CCCNC(=O)c1ccc2n[nH]cc2c1 ZINC001660281373 1102666265 /nfs/dbraw/zinc/66/62/65/1102666265.db2.gz BDCIZZFABOJDDU-UHFFFAOYSA-N 0 1 346.434 2.666 10 30 EFEEMN C=CCOCC(=O)NC1CCC(NCc2ncc(Cl)s2)CC1 ZINC001266910063 1102670892 /nfs/dbraw/zinc/67/08/92/1102670892.db2.gz OTLZMKLOIAZXNB-UHFFFAOYSA-N 0 1 343.880 2.516 10 30 EFEEMN CO[C@@H](CC(C)C)C(=O)NCCCN(C)CC#Cc1ccccc1 ZINC001660294003 1102675138 /nfs/dbraw/zinc/67/51/38/1102675138.db2.gz JTODDWKVRPZOIK-IBGZPJMESA-N 0 1 330.472 2.537 10 30 EFEEMN C=C[C@@](C)(CC)C(=O)NC1CCC(NCc2nn(CC)nc2C)CC1 ZINC001266913246 1102679676 /nfs/dbraw/zinc/67/96/76/1102679676.db2.gz ASYIJIDFPLSIQJ-RJYAGPCLSA-N 0 1 347.507 2.726 10 30 EFEEMN C=CCCC[NH2+]C1CCC(NC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC001266914526 1102681698 /nfs/dbraw/zinc/68/16/98/1102681698.db2.gz OEJDIVAHWBYBCP-UHFFFAOYSA-N 0 1 344.459 2.656 10 30 EFEEMN C=CCC1(C(=O)NCCC[N@H+](C)Cc2c(C)noc2C)CCOCC1 ZINC001660379743 1102722020 /nfs/dbraw/zinc/72/20/20/1102722020.db2.gz KYDLMDILUJVFAQ-UHFFFAOYSA-N 0 1 349.475 2.602 10 30 EFEEMN C=CCC1(C(=O)NCCCN(C)Cc2c(C)noc2C)CCOCC1 ZINC001660379743 1102722032 /nfs/dbraw/zinc/72/20/32/1102722032.db2.gz KYDLMDILUJVFAQ-UHFFFAOYSA-N 0 1 349.475 2.602 10 30 EFEEMN CCCN(CC#Cc1ccccc1)CCNC(=O)C1=COCCC1 ZINC001266556726 1102733709 /nfs/dbraw/zinc/73/37/09/1102733709.db2.gz WMBGCYGUIOTLAS-UHFFFAOYSA-N 0 1 326.440 2.561 10 30 EFEEMN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(C(C)C)n[nH]1 ZINC000076431088 1102738144 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CN(CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001713392198 1418503350 /nfs/dbraw/zinc/50/33/50/1418503350.db2.gz PALZWZJSKGTGSA-SQNIBIBYSA-N 0 1 346.421 2.862 10 30 EFEEMN C=C(C)CCC(=O)N1CCC[C@@H](N(C)Cc2cc(OC)ccn2)C1 ZINC001713394586 1418504666 /nfs/dbraw/zinc/50/46/66/1418504666.db2.gz VKGSAWRSEDRTEP-QGZVFWFLSA-N 0 1 331.460 2.869 10 30 EFEEMN COCC#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC001713400368 1418508408 /nfs/dbraw/zinc/50/84/08/1418508408.db2.gz GNDUAVBVVUYDCG-LJQANCHMSA-N 0 1 342.483 2.537 10 30 EFEEMN Cc1n[nH]c2ccc(C(=O)NCCN(C)Cc3cccc(C#N)c3)cc12 ZINC001713460445 1418544225 /nfs/dbraw/zinc/54/42/25/1418544225.db2.gz KORXVZXFULDHRF-UHFFFAOYSA-N 0 1 347.422 2.605 10 30 EFEEMN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc(C(=O)N(C)C)cc1 ZINC001713466085 1418546778 /nfs/dbraw/zinc/54/67/78/1418546778.db2.gz OLYSYAUONAFICS-HXUWFJFHSA-N 0 1 345.487 2.539 10 30 EFEEMN C=C(C)C(C)(C)C(=O)NCCN(CC)Cc1n[nH]c(C(C)(C)C)n1 ZINC001713489668 1418550507 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C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001714102359 1418580838 /nfs/dbraw/zinc/58/08/38/1418580838.db2.gz PLMGLQWXNVRPKI-OAHLLOKOSA-N 0 1 334.464 2.754 10 30 EFEEMN C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2snnc2C)C1 ZINC001714153901 1418584465 /nfs/dbraw/zinc/58/44/65/1418584465.db2.gz NMGXEVWKKIKBJO-UKRRQHHQSA-N 0 1 336.505 2.920 10 30 EFEEMN C=CCCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2n[nH]c(C3CC3)n2)C1 ZINC001714154001 1418584509 /nfs/dbraw/zinc/58/45/09/1418584509.db2.gz OOFCXDDZIYDMJM-HOCLYGCPSA-N 0 1 345.491 2.755 10 30 EFEEMN Cc1cc(C(=O)NC[C@H](C)NCC#Cc2ccc(F)cc2)c(C)n1C ZINC001714298889 1418596160 /nfs/dbraw/zinc/59/61/60/1418596160.db2.gz AJYXUJJYBAODPU-AWEZNQCLSA-N 0 1 341.430 2.541 10 30 EFEEMN C=C(Cl)CN[C@@H](C)CNC(=O)c1sc(Cl)nc1Cl ZINC001714306208 1418597252 /nfs/dbraw/zinc/59/72/52/1418597252.db2.gz SGYWEGKXXHCGJV-LURJTMIESA-N 0 1 328.652 2.910 10 30 EFEEMN C=C(Cl)CN[C@H](C)CNC(=O)c1sc(Cl)nc1Cl ZINC001714306209 1418597263 /nfs/dbraw/zinc/59/72/63/1418597263.db2.gz SGYWEGKXXHCGJV-ZCFIWIBFSA-N 0 1 328.652 2.910 10 30 EFEEMN C[C@@H](C#N)C(=O)NCCC[C@@H]1CCCN1Cc1cc(C(C)(C)C)on1 ZINC001714512627 1418606294 /nfs/dbraw/zinc/60/62/94/1418606294.db2.gz LULJFFWVWBLLFE-GOEBONIOSA-N 0 1 346.475 2.993 10 30 EFEEMN C#CCCCCCC(=O)NC[C@H]1CCN([C@H](C)c2cnccn2)C1 ZINC001714638333 1418610496 /nfs/dbraw/zinc/61/04/96/1418610496.db2.gz ANUHUWGAGVZQPI-IAGOWNOFSA-N 0 1 328.460 2.559 10 30 EFEEMN C[C@@]1(C(=O)NC[C@H]2CCN(Cc3ccc(C#N)s3)C2)C=CCC1 ZINC001714642649 1418612181 /nfs/dbraw/zinc/61/21/81/1418612181.db2.gz KIRWDEULKJESCG-RDTXWAMCSA-N 0 1 329.469 2.914 10 30 EFEEMN C=C(C)C(C)(C)C(=O)N(C)CCNCC(=O)Nc1ccccc1CC ZINC001714742958 1418620643 /nfs/dbraw/zinc/62/06/43/1418620643.db2.gz RCBLQAVCVQHHNW-UHFFFAOYSA-N 0 1 345.487 2.838 10 30 EFEEMN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNCC(=O)Nc1ccccc1F ZINC001714745804 1418621023 /nfs/dbraw/zinc/62/10/23/1418621023.db2.gz IZXATANEAKWEJK-AUUYWEPGSA-N 0 1 349.450 2.803 10 30 EFEEMN CC#CCCCC(=O)N(C)CCNCC(=O)Nc1ccc(Cl)cc1 ZINC001714747937 1418622522 /nfs/dbraw/zinc/62/25/22/1418622522.db2.gz ZAISUQSZBQAYLJ-UHFFFAOYSA-N 0 1 349.862 2.520 10 30 EFEEMN CN(CCNCc1cc(C#N)ccc1F)C(=O)[C@H]1Cc2ccccc21 ZINC001714752794 1418624968 /nfs/dbraw/zinc/62/49/68/1418624968.db2.gz HNQWFXAZVIDHDU-SFHVURJKSA-N 0 1 337.398 2.585 10 30 EFEEMN C=CCC(C)(C)C(=O)N(C)CCNCc1c(C)nn(C)c1Cl ZINC001714764477 1418632036 /nfs/dbraw/zinc/63/20/36/1418632036.db2.gz IMKMWECQFBGJLM-UHFFFAOYSA-N 0 1 326.872 2.532 10 30 EFEEMN Cc1ccc(C(=O)N(C)CCNCc2ccc(C#N)cc2F)cc1 ZINC001714784762 1418637522 /nfs/dbraw/zinc/63/75/22/1418637522.db2.gz JWIYPCDDASCMFP-UHFFFAOYSA-N 0 1 325.387 2.868 10 30 EFEEMN C=CCOCCN1CC(CNC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001714974506 1418644133 /nfs/dbraw/zinc/64/41/33/1418644133.db2.gz CMXBAHDWQPAFLQ-UHFFFAOYSA-N 0 1 340.423 2.811 10 30 EFEEMN CC#CCCCC(=O)N1CCC[C@H]([C@H](C)NCc2ncc(C)o2)C1 ZINC001715316113 1418663294 /nfs/dbraw/zinc/66/32/94/1418663294.db2.gz QNVPVCKQGPJPBM-IRXDYDNUSA-N 0 1 331.460 2.893 10 30 EFEEMN CC#CCCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2ncc(C)o2)C1 ZINC001715316111 1418663347 /nfs/dbraw/zinc/66/33/47/1418663347.db2.gz QNVPVCKQGPJPBM-IAGOWNOFSA-N 0 1 331.460 2.893 10 30 EFEEMN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCC(=O)Nc1cc(C)cc(C)c1 ZINC001715355148 1418666130 /nfs/dbraw/zinc/66/61/30/1418666130.db2.gz MWFNJTCJNRIYHB-MRXNPFEDSA-N 0 1 345.487 2.891 10 30 EFEEMN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cccnc2OC)CCC1 ZINC001715358289 1418667122 /nfs/dbraw/zinc/66/71/22/1418667122.db2.gz JNOGJXSCPMKRCV-HNNXBMFYSA-N 0 1 331.460 2.773 10 30 EFEEMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](C)CNC/C(Cl)=C/Cl ZINC001715358231 1418667185 /nfs/dbraw/zinc/66/71/85/1418667185.db2.gz DHRKSKRBEGQKGC-RBQXMYPSSA-N 0 1 335.275 2.723 10 30 EFEEMN CC#CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1conc1C ZINC001715398751 1418671388 /nfs/dbraw/zinc/67/13/88/1418671388.db2.gz HHYLPSGHZPCVEU-YJBOKZPZSA-N 0 1 331.460 2.893 10 30 EFEEMN C=C(C)CCC(=O)N1CC[C@H](NCc2nc(C(F)F)no2)[C@@H](C)C1 ZINC001715408213 1418672490 /nfs/dbraw/zinc/67/24/90/1418672490.db2.gz DNKLUVGBUVLTSX-RYUDHWBXSA-N 0 1 342.390 2.690 10 30 EFEEMN Cc1ncoc1CNC[C@@H]1[C@H](C)CCCN1C(=O)C#CC(C)(C)C ZINC001715482410 1418677077 /nfs/dbraw/zinc/67/70/77/1418677077.db2.gz YBYFYMIVKUELEJ-GDBMZVCRSA-N 0 1 331.460 2.749 10 30 EFEEMN C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])CC[C@H]21 ZINC001715543755 1418677799 /nfs/dbraw/zinc/67/77/99/1418677799.db2.gz MILZBCHTYKXGLB-HZPDHXFCSA-N 0 1 346.475 2.707 10 30 EFEEMN C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc(C)c3[O-])CC[C@H]21 ZINC001715543755 1418677802 /nfs/dbraw/zinc/67/78/02/1418677802.db2.gz MILZBCHTYKXGLB-HZPDHXFCSA-N 0 1 346.475 2.707 10 30 EFEEMN C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc(C)c3[O-])CC[C@H]21 ZINC001715543755 1418677805 /nfs/dbraw/zinc/67/78/05/1418677805.db2.gz MILZBCHTYKXGLB-HZPDHXFCSA-N 0 1 346.475 2.707 10 30 EFEEMN CCN(CCNCC#Cc1cccc(Cl)c1)C(=O)C#CC(C)C ZINC001715730367 1418681008 /nfs/dbraw/zinc/68/10/08/1418681008.db2.gz HNHJRVJUCVQIIX-UHFFFAOYSA-N 0 1 330.859 2.789 10 30 EFEEMN C=C(Br)CNCCN(CC)C(=O)c1cc2occc2[nH]1 ZINC001715737960 1418681407 /nfs/dbraw/zinc/68/14/07/1418681407.db2.gz ZUFCDEQZQYJFNR-UHFFFAOYSA-N 0 1 340.221 2.721 10 30 EFEEMN C=C(Cl)CNCCN(CC)C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001715742808 1418682439 /nfs/dbraw/zinc/68/24/39/1418682439.db2.gz FJUIVDIAQQHTGY-LLVKDONJSA-N 0 1 326.872 2.711 10 30 EFEEMN N#Cc1ccc(CNC/C=C/CNC(=O)[C@H]2CCCC23CC3)s1 ZINC001715832934 1418686045 /nfs/dbraw/zinc/68/60/45/1418686045.db2.gz FXFNKMPWBAKJHF-XGBNDESESA-N 0 1 329.469 2.962 10 30 EFEEMN O=C(NC/C=C\CNCC#Cc1ccc(F)cc1)[C@H]1Cc2ccccc21 ZINC001715861175 1418690968 /nfs/dbraw/zinc/69/09/68/1418690968.db2.gz OABGAGKMKFJMDK-YOXWTLATSA-N 0 1 348.421 2.779 10 30 EFEEMN C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)CC[C@@H]1CCOC1 ZINC001715968981 1418700693 /nfs/dbraw/zinc/70/06/93/1418700693.db2.gz COXSHNBHTDFBIA-JKSUJKDBSA-N 0 1 348.874 2.603 10 30 EFEEMN C#CCCCC(=O)N[C@@H](C)CNCc1cc(-c2ccc(F)cc2)no1 ZINC001715973009 1418701840 /nfs/dbraw/zinc/70/18/40/1418701840.db2.gz KTQUJANATQUJBL-AWEZNQCLSA-N 0 1 343.402 2.879 10 30 EFEEMN C#CCCCC(=O)N[C@@H](C)CNCc1nc2ccc(OC)cc2s1 ZINC001715973622 1418702114 /nfs/dbraw/zinc/70/21/14/1418702114.db2.gz PSYBYOLCRZAGLI-ZDUSSCGKSA-N 0 1 345.468 2.703 10 30 EFEEMN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1nc(CC(C)C)no1 ZINC001716068055 1418704994 /nfs/dbraw/zinc/70/49/94/1418704994.db2.gz VOVTYGIFINBPOW-LSDHHAIUSA-N 0 1 348.491 2.855 10 30 EFEEMN C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1nc(CC(C)C)no1 ZINC001716068052 1418705199 /nfs/dbraw/zinc/70/51/99/1418705199.db2.gz VOVTYGIFINBPOW-CABCVRRESA-N 0 1 348.491 2.855 10 30 EFEEMN C=CCC1(C(=O)N[C@H](C)CCNCc2nn(C)cc2Cl)CCC1 ZINC001716173106 1418712598 /nfs/dbraw/zinc/71/25/98/1418712598.db2.gz YQBNYARLGIPWGM-CYBMUJFWSA-N 0 1 338.883 2.804 10 30 EFEEMN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2nc(-c3ccco3)no2)C1 ZINC001716172807 1418712790 /nfs/dbraw/zinc/71/27/90/1418712790.db2.gz PGCNOMJVQSJSOR-ZDUSSCGKSA-N 0 1 344.415 2.670 10 30 EFEEMN 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EFEEMN O=C(C#CC1CC1)N[C@H]1CCN(CCCOc2cccc(Cl)c2)C1 ZINC001481688792 1249916667 /nfs/dbraw/zinc/91/66/67/1249916667.db2.gz PHRIQGMQLVGJDY-KRWDZBQOSA-N 0 1 346.858 2.713 10 30 EFEEMN C=CCCCC(=O)N1CC[C@H](CN(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001745737401 1250065052 /nfs/dbraw/zinc/06/50/52/1250065052.db2.gz TXFDABVHTIGCFE-OAHLLOKOSA-N 0 1 346.475 2.810 10 30 EFEEMN C=C[C@H](CC)CC(=O)N1CCC(CN(C)C(=O)c2cc(C)[nH]n2)CC1 ZINC001745749737 1250075103 /nfs/dbraw/zinc/07/51/03/1250075103.db2.gz HKJDMSNZJKRLMM-OAHLLOKOSA-N 0 1 346.475 2.631 10 30 EFEEMN C=CCCOC(=O)c1cn[nH]c1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000850129925 1250300681 /nfs/dbraw/zinc/30/06/81/1250300681.db2.gz CGEFMSDCICZMIV-LBPRGKRZSA-N 0 1 335.404 2.867 10 30 EFEEMN C#CCCCOC(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000850131171 1250303208 /nfs/dbraw/zinc/30/32/08/1250303208.db2.gz QZEIUIPHZGWTGU-CYBMUJFWSA-N 0 1 347.415 2.704 10 30 EFEEMN C#CCN[C@@H](CNC(=O)c1csc(=O)[nH]1)c1ccc(C(C)C)cc1 ZINC001691767372 1247788137 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C=CC(C)(C)C(=O)NCCN(CC)C[C@H](O)c1cc(F)ccc1F ZINC001691035906 1248032191 /nfs/dbraw/zinc/03/21/91/1248032191.db2.gz PZXPOQNJUIGPLI-INIZCTEOSA-N 0 1 340.414 2.649 10 30 EFEEMN C=CCCC(=O)N(C)[C@H]1CCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001687225970 1248108953 /nfs/dbraw/zinc/10/89/53/1248108953.db2.gz QQLNJSXFNXANGM-HNNXBMFYSA-N 0 1 340.427 2.510 10 30 EFEEMN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NCC(=O)Nc1ccccc1C ZINC001772539991 1248266943 /nfs/dbraw/zinc/26/69/43/1248266943.db2.gz WHQWMUKLZXSXJW-INIZCTEOSA-N 0 1 345.487 2.972 10 30 EFEEMN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCC(=O)Nc1ccc(C)cc1 ZINC001772539958 1248267021 /nfs/dbraw/zinc/26/70/21/1248267021.db2.gz ODSDKHRQHSVARQ-MRXNPFEDSA-N 0 1 345.487 2.972 10 30 EFEEMN C=C(C)CCC(=O)NCC1=CCN([C@H](C)c2n[nH]c(CC)n2)CC1 ZINC001772541594 1248273661 /nfs/dbraw/zinc/27/36/61/1248273661.db2.gz XLNYRILXTAUULP-CQSZACIVSA-N 0 1 331.464 2.533 10 30 EFEEMN C=C(C)C(C)(C)C(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1cc(C)[nH]n1 ZINC001746760086 1248277650 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C#CCCCCCC(=O)N(C)C[C@@H]1CCN1C[C@@H]1CC(C)(C)CO1 ZINC001691053423 1248305997 /nfs/dbraw/zinc/30/59/97/1248305997.db2.gz PXZZIFGZANDAKQ-ROUUACIJSA-N 0 1 334.504 2.918 10 30 EFEEMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CCc1ccccc1F ZINC001691059324 1248320929 /nfs/dbraw/zinc/32/09/29/1248320929.db2.gz UJFVNOYYBNVNPL-WMZOPIPTSA-N 0 1 330.447 2.950 10 30 EFEEMN Cc1conc1CNCC[C@H]1[C@@H](C)CCCN1C(=O)C#CC(C)C ZINC001691997716 1248346175 /nfs/dbraw/zinc/34/61/75/1248346175.db2.gz HBQKLGAPAFKWTD-YJBOKZPZSA-N 0 1 331.460 2.749 10 30 EFEEMN C#CCCCC(=O)NC[C@H]1C[C@@H](NCc2nc3ccccc3o2)C1 ZINC001691093114 1248396045 /nfs/dbraw/zinc/39/60/45/1248396045.db2.gz HRXWAESDQGGTLC-GASCZTMLSA-N 0 1 325.412 2.616 10 30 EFEEMN C=CC(C)(C)C(=O)NC[C@H]1CCCN1[C@H](C)C(=O)N(CC)CC(=C)C ZINC001691092770 1248398175 /nfs/dbraw/zinc/39/81/75/1248398175.db2.gz XWRRVZJHNKMQFV-IAGOWNOFSA-N 0 1 349.519 2.592 10 30 EFEEMN C=CC(C)(C)C(=O)NC[C@H]1CCCN1[C@@H](C)C(=O)N(CC)CC(=C)C ZINC001691092769 1248398381 /nfs/dbraw/zinc/39/83/81/1248398381.db2.gz XWRRVZJHNKMQFV-DLBZAZTESA-N 0 1 349.519 2.592 10 30 EFEEMN C=C1CC(C)(C(=O)NC[C@H]2CCCN2C[C@H](O)c2ccccc2F)C1 ZINC001691096824 1248401779 /nfs/dbraw/zinc/40/17/79/1248401779.db2.gz AEDZUPJJJWBZFR-QAPCUYQASA-N 0 1 346.446 2.796 10 30 EFEEMN CC#CCN1CCC[C@H]1CNC(=O)CCCOc1cccc(F)c1 ZINC001691108632 1248420827 /nfs/dbraw/zinc/42/08/27/1248420827.db2.gz NFXWGTJPJGNUSD-KRWDZBQOSA-N 0 1 332.419 2.589 10 30 EFEEMN CC#CCN1CCC[C@@H]1CNC(=O)C[C@H](C)c1cccc(OC)c1 ZINC001691113937 1248434415 /nfs/dbraw/zinc/43/44/15/1248434415.db2.gz YPSXJGXFAUPJNK-FUHWJXTLSA-N 0 1 328.456 2.793 10 30 EFEEMN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](NCc3noc4c3CCCC4)C2)C1 ZINC001691114585 1248437085 /nfs/dbraw/zinc/43/70/85/1248437085.db2.gz OIRUDVWSNGIEJB-GASCZTMLSA-N 0 1 343.471 2.894 10 30 EFEEMN CCCSCC(=O)NC[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC001691117631 1248440432 /nfs/dbraw/zinc/44/04/32/1248440432.db2.gz AWKCKEKJEOZOFL-OAHLLOKOSA-N 0 1 349.475 2.779 10 30 EFEEMN C=C[C@H](C(=O)NC[C@H]1C[C@@H](NCc2nocc2C)C1)c1ccccc1 ZINC001691126559 1248448273 /nfs/dbraw/zinc/44/82/73/1248448273.db2.gz ORXKSZGTEKUILT-JQHSSLGASA-N 0 1 339.439 2.937 10 30 EFEEMN N#Cc1ccc(CN2CC[C@H](CNC(=O)/C=C\c3ccc[nH]3)C2)s1 ZINC001691136386 1248458559 /nfs/dbraw/zinc/45/85/59/1248458559.db2.gz LZMJKEDBCGQLTJ-JHAQOBCDSA-N 0 1 340.452 2.599 10 30 EFEEMN COc1cc(Cl)ccc1CN1CC[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001691140229 1248462107 /nfs/dbraw/zinc/46/21/07/1248462107.db2.gz RBWCQBIFBAGADB-HNNXBMFYSA-N 0 1 348.874 2.946 10 30 EFEEMN C=CC(C)(C)C(=O)NC[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC001691151470 1248476696 /nfs/dbraw/zinc/47/66/96/1248476696.db2.gz MOUJGGJUSFKXAU-QGZVFWFLSA-N 0 1 328.431 2.828 10 30 EFEEMN CC#CCCCC(=O)NC[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC001691154287 1248483437 /nfs/dbraw/zinc/48/34/37/1248483437.db2.gz MNOYSOKGNGZCIY-QGZVFWFLSA-N 0 1 341.430 2.829 10 30 EFEEMN Cc1ccoc1CC(=O)NC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001691159711 1248486804 /nfs/dbraw/zinc/48/68/04/1248486804.db2.gz KKCXADIQMNTSDB-LJQANCHMSA-N 0 1 336.435 2.620 10 30 EFEEMN C=CCC1(C(=O)NC[C@H]2C[C@H](NCc3ccn(CC)n3)C2)CCC1 ZINC001691164393 1248496235 /nfs/dbraw/zinc/49/62/35/1248496235.db2.gz SUFMATXGDQHISN-JCNLHEQBSA-N 0 1 330.476 2.634 10 30 EFEEMN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](NCc2csnc2OC)C1 ZINC001691164306 1248496307 /nfs/dbraw/zinc/49/63/07/1248496307.db2.gz QPVGMXPNPSFBKY-SUYBPPKGSA-N 0 1 337.489 2.738 10 30 EFEEMN CC(C)OCCCC(=O)NC[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001691173292 1248502909 /nfs/dbraw/zinc/50/29/09/1248502909.db2.gz DUHBDXJIODVPRV-KRWDZBQOSA-N 0 1 343.471 2.702 10 30 EFEEMN CC(C)OCCCC(=O)NC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001691173249 1248503400 /nfs/dbraw/zinc/50/34/00/1248503400.db2.gz DAGNRWKURMQPSI-HXUWFJFHSA-N 0 1 342.483 2.681 10 30 EFEEMN CCCN(CC#Cc1ccc(F)cc1)CCNC(=O)C[C@@H]1CCCO1 ZINC001691175848 1248509031 /nfs/dbraw/zinc/50/90/31/1248509031.db2.gz PWLAHBGQJJECDH-IBGZPJMESA-N 0 1 346.446 2.575 10 30 EFEEMN CCCN(CC#CCOC)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001691194405 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479362466 /nfs/dbraw/zinc/36/24/66/479362466.db2.gz ZEVKUDLHECLBJF-UHFFFAOYSA-N 0 1 340.431 2.708 10 30 EFEEMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639286 479364322 /nfs/dbraw/zinc/36/43/22/479364322.db2.gz BEOHBXQEAKSVST-UVBSCNOISA-N 0 1 347.846 2.633 10 30 EFEEMN C=C(C)CN(CC)C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406333 479369035 /nfs/dbraw/zinc/36/90/35/479369035.db2.gz PBPXBCYUTQKNKD-GOSISDBHSA-N 0 1 346.471 2.941 10 30 EFEEMN CN1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C1 ZINC000593503812 479369315 /nfs/dbraw/zinc/36/93/15/479369315.db2.gz LKBSOBDULVHSHB-SFHVURJKSA-N 0 1 336.395 2.830 10 30 EFEEMN COC(=O)[C@@H]1CCN(Cc2cn3ccccc3c2C#N)[C@H]2CCC[C@H]21 ZINC000599650933 479369994 /nfs/dbraw/zinc/36/99/94/479369994.db2.gz HSLLYQGETGTOHN-JZXOWHBKSA-N 0 1 337.423 2.975 10 30 EFEEMN COC(=O)[C@@H]1CCN(Cc2ccc(OC)c(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000599653600 479372029 /nfs/dbraw/zinc/37/20/29/479372029.db2.gz KCVDEPSRWRYPHV-ZACQAIPSSA-N 0 1 328.412 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RDAWWYGULMOKCX-UHFFFAOYSA-N 0 1 343.471 2.702 10 30 EFEEMN CN(CCNC(=O)[C@H]1CC12CCCC2)Cc1ccc(C#N)c(F)c1 ZINC001492483751 1328291434 /nfs/dbraw/zinc/29/14/34/1328291434.db2.gz HZEKNEUDEKCXDA-MRXNPFEDSA-N 0 1 329.419 2.826 10 30 EFEEMN C=C(Cl)CN(CCCNC(=O)c1ccc(C)[nH]c1=O)C(C)C ZINC001317701507 1328307189 /nfs/dbraw/zinc/30/71/89/1328307189.db2.gz BRRGGGWHUGSDSW-UHFFFAOYSA-N 0 1 325.840 2.678 10 30 EFEEMN C#CCN[C@H](CNC(=O)C[C@@](C)(O)C1CC1)c1ccc(C(C)C)cc1 ZINC001317711315 1328318482 /nfs/dbraw/zinc/31/84/82/1328318482.db2.gz MGDXZMBUMWOKHB-TZIWHRDSSA-N 0 1 342.483 2.741 10 30 EFEEMN CC#CCN[C@H](CNC(=O)c1cnsn1)c1ccc(C(C)C)cc1 ZINC001317711108 1328318883 /nfs/dbraw/zinc/31/88/83/1328318883.db2.gz JCXXGIPNAILGDP-MRXNPFEDSA-N 0 1 342.468 2.746 10 30 EFEEMN COCC#CCN[C@@H](CNC(=O)c1cc(C)oc1C)c1ccccc1 ZINC001317713827 1328323008 /nfs/dbraw/zinc/32/30/08/1328323008.db2.gz IQTTWJQYVDOPNZ-IBGZPJMESA-N 0 1 340.423 2.607 10 30 EFEEMN C#CCN[C@H](CNC(=O)COCc1ccc(C)cc1)c1ccccc1 ZINC001317718906 1328328187 /nfs/dbraw/zinc/32/81/87/1328328187.db2.gz RCNLGNHQUYHCPI-HXUWFJFHSA-N 0 1 336.435 2.592 10 30 EFEEMN CC#CCN[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)c1ccccc1 ZINC001317719683 1328329220 /nfs/dbraw/zinc/32/92/20/1328329220.db2.gz ZYOHORAYBZULAL-SFHVURJKSA-N 0 1 338.455 2.722 10 30 EFEEMN C#CCN[C@H](CNC(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC001317721939 1328331600 /nfs/dbraw/zinc/33/16/00/1328331600.db2.gz KWIFYDDFDFGKLD-MRXNPFEDSA-N 0 1 347.340 2.794 10 30 EFEEMN C#CCN[C@H](CNC(=O)Cc1cc(F)ccc1F)c1ccccc1 ZINC001317722257 1328332381 /nfs/dbraw/zinc/33/23/81/1328332381.db2.gz PIGIMYWCKSNDAF-GOSISDBHSA-N 0 1 328.362 2.588 10 30 EFEEMN C#CCN[C@H](CNC(=O)c1ccc(COC)c(F)c1)c1ccccc1 ZINC001317726826 1328334789 /nfs/dbraw/zinc/33/47/89/1328334789.db2.gz DGNNNKXCNYIPHH-LJQANCHMSA-N 0 1 340.398 2.666 10 30 EFEEMN CC#CCN[C@@H](CNC(=O)c1cc(C)cc2c[nH]nc21)c1ccccc1 ZINC001317725944 1328335534 /nfs/dbraw/zinc/33/55/34/1328335534.db2.gz ZZZDFUOEVJNVQP-IBGZPJMESA-N 0 1 346.434 2.955 10 30 EFEEMN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2ccc(OCC)nc2)C1 ZINC001317759198 1328355008 /nfs/dbraw/zinc/35/50/08/1328355008.db2.gz NSLHVTVZYLXRBV-QGZVFWFLSA-N 0 1 331.460 2.983 10 30 EFEEMN C=CCN1CC[C@@H](N(CCC)C(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001317759823 1328356909 /nfs/dbraw/zinc/35/69/09/1328356909.db2.gz UFNPZCRNMDWMGE-MRXNPFEDSA-N 0 1 346.519 2.586 10 30 EFEEMN C#CCCN1CC[C@H](N(CCC)C(=O)c2cc(C(F)(F)F)no2)C1 ZINC001317761288 1328357609 /nfs/dbraw/zinc/35/76/09/1328357609.db2.gz IXRDYRMXSBEVQC-LBPRGKRZSA-N 0 1 343.349 2.643 10 30 EFEEMN C#CCOCCC(=O)N(CCC)[C@H]1CCN(Cc2ccsc2)C1 ZINC001317760063 1328358416 /nfs/dbraw/zinc/35/84/16/1328358416.db2.gz XSMWMARCJPTBSB-KRWDZBQOSA-N 0 1 334.485 2.601 10 30 EFEEMN C=CCN1CC[C@H](N(CCC)C(=O)c2cn(CC(F)F)nc2C)C1 ZINC001317761809 1328360244 /nfs/dbraw/zinc/36/02/44/1328360244.db2.gz PTYKMFPMAYPLMV-AWEZNQCLSA-N 0 1 340.418 2.569 10 30 EFEEMN C=CCN1CC[C@H](N(CCC)C(=O)c2coc(C(F)(F)F)n2)C1 ZINC001317762763 1328361378 /nfs/dbraw/zinc/36/13/78/1328361378.db2.gz 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ZINC001317800499 1328387662 /nfs/dbraw/zinc/38/76/62/1328387662.db2.gz INRDESZYWRHMOD-KRWDZBQOSA-N 0 1 342.487 2.860 10 30 EFEEMN C=C1CC(C)(C(=O)NCC[C@@H]2CCN(Cc3ccc(F)cn3)C2)C1 ZINC001317800714 1328388720 /nfs/dbraw/zinc/38/87/20/1328388720.db2.gz JNFDAXIBWVBRPN-OAHLLOKOSA-N 0 1 331.435 2.905 10 30 EFEEMN C=C(C)CN1CCN(CCN(C)C(=O)c2ccccc2CC)CC1 ZINC001317819596 1328397589 /nfs/dbraw/zinc/39/75/89/1328397589.db2.gz BUSFRYSJAIUJNG-UHFFFAOYSA-N 0 1 329.488 2.515 10 30 EFEEMN C=CCCC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2ccccc2F)C1 ZINC001317831678 1328403400 /nfs/dbraw/zinc/40/34/00/1328403400.db2.gz VNITYFLQDOVINH-HNNXBMFYSA-N 0 1 347.434 2.511 10 30 EFEEMN C#CCCCCC(=O)N1CC[C@@H](CN(C)Cc2cc(OC)ns2)C1 ZINC001317832968 1328404813 /nfs/dbraw/zinc/40/48/13/1328404813.db2.gz NSNMVJUCUWZGBF-HNNXBMFYSA-N 0 1 349.500 2.626 10 30 EFEEMN C=CC(C)(C)CC(=O)N1CC[C@@H](CN(C)Cc2snnc2C)C1 ZINC001317841035 1328409289 /nfs/dbraw/zinc/40/92/89/1328409289.db2.gz ZMSDXUCYIPAHSQ-AWEZNQCLSA-N 0 1 336.505 2.729 10 30 EFEEMN C=C(C)CCC(=O)N1CCC(CN(C)Cc2ccnc(OC)n2)CC1 ZINC001317870394 1328428828 /nfs/dbraw/zinc/42/88/28/1328428828.db2.gz RDXIROXOTKHZMN-UHFFFAOYSA-N 0 1 346.475 2.512 10 30 EFEEMN N#CCSCC(=O)N[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001317923978 1328443516 /nfs/dbraw/zinc/44/35/16/1328443516.db2.gz NAMPGYHMWMSNPH-MRXNPFEDSA-N 0 1 342.468 2.505 10 30 EFEEMN C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001317935472 1328446338 /nfs/dbraw/zinc/44/63/38/1328446338.db2.gz FTHTUXZCUMSRJE-DZGCQCFKSA-N 0 1 344.459 2.609 10 30 EFEEMN C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC001317935920 1328446727 /nfs/dbraw/zinc/44/67/27/1328446727.db2.gz MCJYEWRQMVYALL-GOSISDBHSA-N 0 1 343.471 2.952 10 30 EFEEMN C=CCOCCN1CCC[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001317944587 1328451985 /nfs/dbraw/zinc/45/19/85/1328451985.db2.gz MTVINTHOJGCVGU-OAHLLOKOSA-N 0 1 330.419 2.595 10 30 EFEEMN C=CCOCCN1CCC[C@@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001317955521 1328456680 /nfs/dbraw/zinc/45/66/80/1328456680.db2.gz QRMCYEVBSIIWOG-WIYYLYMNSA-N 0 1 342.483 2.674 10 30 EFEEMN C=CCOCCCC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001317964456 1328460366 /nfs/dbraw/zinc/46/03/66/1328460366.db2.gz NJLFIANYKZTQJJ-IBGZPJMESA-N 0 1 341.455 2.622 10 30 EFEEMN CC(C)C#CC(=O)N[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC001317968893 1328462452 /nfs/dbraw/zinc/46/24/52/1328462452.db2.gz JUTIPMWEDNCPGB-IBGZPJMESA-N 0 1 335.451 2.975 10 30 EFEEMN C#CCC1(C(=O)NC2CN(C[C@@H]3CCO[C@H](C)C3)C2)CCCCC1 ZINC001318094288 1328493708 /nfs/dbraw/zinc/49/37/08/1328493708.db2.gz XLZDFHSPLAZQTJ-IAGOWNOFSA-N 0 1 332.488 2.576 10 30 EFEEMN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2ccn(-c3ccccc3)n2)C1 ZINC001321978691 1329420810 /nfs/dbraw/zinc/42/08/10/1329420810.db2.gz RHIVRGXZBLEOQC-INIZCTEOSA-N 0 1 338.455 2.823 10 30 EFEEMN C[C@@H](CNCc1ccccc1C#N)NC(=O)c1cc(F)c(F)c(F)c1 ZINC001321990091 1329421070 /nfs/dbraw/zinc/42/10/70/1329421070.db2.gz BOAUYVDLPQWMMJ-NSHDSACASA-N 0 1 347.340 2.884 10 30 EFEEMN C=CCOCCN1CC(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001318131166 1328503366 /nfs/dbraw/zinc/50/33/66/1328503366.db2.gz YTWCCGYGSPYELV-CABCVRRESA-N 0 1 348.409 2.606 10 30 EFEEMN C=C(C)C(C)(C)C(=O)NCC1CN(Cc2ccc3c(c2)COC3)C1 ZINC001318140653 1328504550 /nfs/dbraw/zinc/50/45/50/1328504550.db2.gz VWALCBMRIWDWHI-UHFFFAOYSA-N 0 1 328.456 2.867 10 30 EFEEMN C=CCOCCN1CC(CNC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001318160049 1328509968 /nfs/dbraw/zinc/50/99/68/1328509968.db2.gz ZHXLUAKSWCEGJJ-UHFFFAOYSA-N 0 1 334.460 2.750 10 30 EFEEMN C=CCOCCN1CC(CNC(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC001318171833 1328512271 /nfs/dbraw/zinc/51/22/71/1328512271.db2.gz WOHMTBBNUZLMJQ-CQSZACIVSA-N 0 1 348.512 2.737 10 30 EFEEMN C=CCOCCN1CC(CNC(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC001318171832 1328512364 /nfs/dbraw/zinc/51/23/64/1328512364.db2.gz WOHMTBBNUZLMJQ-AWEZNQCLSA-N 0 1 348.512 2.737 10 30 EFEEMN N#CCSCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CCCc2ccccc21 ZINC001318187524 1328516034 /nfs/dbraw/zinc/51/60/34/1328516034.db2.gz NEMYXDUTYXRAJS-BQFCYCMXSA-N 0 1 341.480 2.606 10 30 EFEEMN C#Cc1ccc(C(=O)N[C@@H](C)CN[C@@H](C)c2nc3ccccc3o2)cn1 ZINC001322049293 1329424924 /nfs/dbraw/zinc/42/49/24/1329424924.db2.gz AMQYULNFGDXPMR-KBPBESRZSA-N 0 1 348.406 2.673 10 30 EFEEMN C#Cc1ccccc1CC(=O)N[C@@H](C)CNCC=C(Cl)Cl ZINC001322059849 1329425548 /nfs/dbraw/zinc/42/55/48/1329425548.db2.gz KYMTUTCZVKTVMT-LBPRGKRZSA-N 0 1 325.239 2.624 10 30 EFEEMN COc1c(F)cc(CN(C)C[C@@H](C)NC(=O)C#CC(C)C)cc1F ZINC001322155461 1329433568 /nfs/dbraw/zinc/43/35/68/1329433568.db2.gz CYCLTQQPDQCICT-CYBMUJFWSA-N 0 1 338.398 2.569 10 30 EFEEMN COCC#CCN(C)C[C@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC001322285412 1329443193 /nfs/dbraw/zinc/44/31/93/1329443193.db2.gz MBGBOYXKUXGTKW-LBPRGKRZSA-N 0 1 343.254 2.693 10 30 EFEEMN CCc1oc2ccccc2c1C(=O)N[C@@H](C)CN(C)CC#CCOC ZINC001322305573 1329445115 /nfs/dbraw/zinc/44/51/15/1329445115.db2.gz FJCNJBHBQHZPPB-HNNXBMFYSA-N 0 1 342.439 2.695 10 30 EFEEMN CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1CNCc1nc(C(C)C)no1 ZINC001322328820 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C#CC[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2C(=O)OCC)C1 ZINC000862445703 1302388187 /nfs/dbraw/zinc/38/81/87/1302388187.db2.gz ZUHQYBZRZZBPBJ-MRXNPFEDSA-N 0 1 337.423 2.894 10 30 EFEEMN C#CC[C@H]1CCN(Cc2cn(-c3ccccc3)nc2C(=O)OCC)C1 ZINC000862445702 1302388305 /nfs/dbraw/zinc/38/83/05/1302388305.db2.gz ZUHQYBZRZZBPBJ-INIZCTEOSA-N 0 1 337.423 2.894 10 30 EFEEMN C#CC[C@@H]1CCN(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)C1 ZINC000862570574 1302416361 /nfs/dbraw/zinc/41/63/61/1302416361.db2.gz JQGKSYQHFWQMFC-CQSZACIVSA-N 0 1 340.452 2.744 10 30 EFEEMN C=CCOCC(=O)N[C@H]1CN([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001276560644 1313859033 /nfs/dbraw/zinc/85/90/33/1313859033.db2.gz CJTGQJMEIPXSNP-YOEHRIQHSA-N 0 1 334.435 2.916 10 30 EFEEMN C=CCCC(=O)N[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2)CC1(C)C ZINC001276560820 1313859865 /nfs/dbraw/zinc/85/98/65/1313859865.db2.gz GIDJWADTCUMBLZ-IAGOWNOFSA-N 0 1 334.435 2.652 10 30 EFEEMN COc1ccc(CN2CC[C@H]2C/N=C/c2cccc(O)c2O)cc1 ZINC000864345089 1302893360 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1304010551 /nfs/dbraw/zinc/01/05/51/1304010551.db2.gz WVLWOUGZUFZXMO-KRWDZBQOSA-N 0 1 339.826 2.591 10 30 EFEEMN C[C@@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000867927211 1304022206 /nfs/dbraw/zinc/02/22/06/1304022206.db2.gz CVIHKDOBVABIHS-ORAYPTAESA-N 0 1 337.398 2.804 10 30 EFEEMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC1(c2ccccc2)CCC1 ZINC000867927778 1304022489 /nfs/dbraw/zinc/02/24/89/1304022489.db2.gz NXFGNDDNSQLTRT-IBGZPJMESA-N 0 1 331.419 2.941 10 30 EFEEMN C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867927910 1304022783 /nfs/dbraw/zinc/02/27/83/1304022783.db2.gz RBTQNBOVRLNSNP-JLTOFOAXSA-N 0 1 331.419 2.891 10 30 EFEEMN CN(CCc1ccccc1F)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867940916 1304029166 /nfs/dbraw/zinc/02/91/66/1304029166.db2.gz AKYRDALJIALCKT-IBGZPJMESA-N 0 1 337.398 2.585 10 30 EFEEMN Cc1cccc(O[C@H](C)CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)c1 ZINC000867942338 1304029864 /nfs/dbraw/zinc/02/98/64/1304029864.db2.gz PWKBJSJKLJMUBD-FOIQADDNSA-N 0 1 349.434 2.637 10 30 EFEEMN Cc1ccccc1C[C@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867942472 1304030114 /nfs/dbraw/zinc/03/01/14/1304030114.db2.gz SGPCNIWYEQTSJT-YWZLYKJASA-N 0 1 333.435 2.801 10 30 EFEEMN Cc1cccc(C)c1OCCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867943594 1304031760 /nfs/dbraw/zinc/03/17/60/1304031760.db2.gz ZUXWXARWTHADLH-LJQANCHMSA-N 0 1 349.434 2.557 10 30 EFEEMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC1(c2ccccc2F)CC1 ZINC000867945524 1304033805 /nfs/dbraw/zinc/03/38/05/1304033805.db2.gz WZXKEUBCOMVRMV-SFHVURJKSA-N 0 1 335.382 2.690 10 30 EFEEMN Cc1cc(C)c(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)c(C)c1 ZINC000867946567 1304033970 /nfs/dbraw/zinc/03/39/70/1304033970.db2.gz IQJXCFIJJNSFRZ-FQEVSTJZSA-N 0 1 333.435 2.987 10 30 EFEEMN C[C@H](NC(=O)[C@@H]1NCCc2cc(C#N)ccc21)c1c(F)cccc1F ZINC000867947257 1304035229 /nfs/dbraw/zinc/03/52/29/1304035229.db2.gz ONHPIPDMMBFSRI-BBATYDOGSA-N 0 1 341.361 2.901 10 30 EFEEMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N(Cc1cccs1)C1CC1 ZINC000867947810 1304035517 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C#CCN1CCC(N(CCC)C(=O)Cc2csc(C3CC3)n2)CC1 ZINC001266390073 1101823231 /nfs/dbraw/zinc/82/32/31/1101823231.db2.gz JUUOKAAUCSVVAZ-UHFFFAOYSA-N 0 1 345.512 2.899 10 30 EFEEMN Cc1cc(C(=O)N(C)CCNCc2cc(C#N)ccc2F)oc1C ZINC001266675226 1101823656 /nfs/dbraw/zinc/82/36/56/1101823656.db2.gz LSUNPAYOUISJGG-UHFFFAOYSA-N 0 1 329.375 2.769 10 30 EFEEMN CC#CCN1CCC(N(CCC)C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC001266390138 1101824639 /nfs/dbraw/zinc/82/46/39/1101824639.db2.gz LWIZIAFXAXDOCX-UHFFFAOYSA-N 0 1 328.460 2.627 10 30 EFEEMN Cc1oc(-c2ccco2)nc1CN[C@H]1C[C@@H](NC(=O)C#CC(C)C)C1 ZINC001266683437 1101879257 /nfs/dbraw/zinc/87/92/57/1101879257.db2.gz OIQPDAMMWFURCS-GASCZTMLSA-N 0 1 341.411 2.639 10 30 EFEEMN CCCCCCCCN1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC001655730542 1101882387 /nfs/dbraw/zinc/88/23/87/1101882387.db2.gz SPUVDTMIQCJZDY-UHFFFAOYSA-N 0 1 332.496 2.814 10 30 EFEEMN C#C[C@H]1CCCCN1C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001655826836 1101897672 /nfs/dbraw/zinc/89/76/72/1101897672.db2.gz 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C[C@H](NCc1c(F)cccc1Cl)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001368836655 1339777000 /nfs/dbraw/zinc/77/70/00/1339777000.db2.gz FZBOGOZTUAFSCE-QWRGUYRKSA-N 0 1 348.809 2.975 10 30 EFEEMN C[C@H](NCc1cc(O)ccc1Cl)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001368840657 1339780609 /nfs/dbraw/zinc/78/06/09/1339780609.db2.gz LGTJJLDISHZTQL-QWRGUYRKSA-N 0 1 346.818 2.542 10 30 EFEEMN Cc1cccc(C(=O)N[C@H](C)[C@@H](C)NCc2cc(F)ccc2C#N)n1 ZINC001368845862 1339784700 /nfs/dbraw/zinc/78/47/00/1339784700.db2.gz LAIIDIYTHIYWEK-ZIAGYGMSSA-N 0 1 340.402 2.697 10 30 EFEEMN C[C@@H](NCc1ccc(C#N)cc1F)[C@H](C)NC(=O)Cc1ccccc1 ZINC001368846817 1339785633 /nfs/dbraw/zinc/78/56/33/1339785633.db2.gz KVTLDRUNAPWNQH-CABCVRRESA-N 0 1 339.414 2.923 10 30 EFEEMN C=C(Cl)CN[C@@H](C)[C@@H](C)NC(=O)c1ccc(OC(C)C)nc1 ZINC001368847797 1339786430 /nfs/dbraw/zinc/78/64/30/1339786430.db2.gz LJUGFPHCCUYKEL-QWHCGFSZSA-N 0 1 325.840 2.718 10 30 EFEEMN Cc1ccc(C(=O)N[C@H](C)[C@H](C)NCc2ccc(C#N)cc2F)cn1 ZINC001368859142 1339795244 /nfs/dbraw/zinc/79/52/44/1339795244.db2.gz SUHYDQDCGSJQPC-UONOGXRCSA-N 0 1 340.402 2.697 10 30 EFEEMN C=C(Br)CN[C@H](C)[C@H](C)NC(=O)Cc1ccccc1F ZINC001368896206 1339836158 /nfs/dbraw/zinc/83/61/58/1339836158.db2.gz MNHQDJYAICLVMG-NEPJUHHUSA-N 0 1 343.240 2.760 10 30 EFEEMN C=C(Br)CN[C@H](C)[C@@H](C)NC(=O)c1cc(CCC)on1 ZINC001368887278 1339824192 /nfs/dbraw/zinc/82/41/92/1339824192.db2.gz GVIHURMLJSCQRF-GHMZBOCLSA-N 0 1 344.253 2.632 10 30 EFEEMN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)c1cn(CCCC)nc1C ZINC001368907407 1339849604 /nfs/dbraw/zinc/84/96/04/1339849604.db2.gz UGSJKGAOYXVQRA-STQMWFEESA-N 0 1 326.872 2.841 10 30 EFEEMN C=C(Br)CN[C@@H](C)[C@H](C)NC(=O)Cc1ccccc1F ZINC001368896219 1339836494 /nfs/dbraw/zinc/83/64/94/1339836494.db2.gz MNHQDJYAICLVMG-RYUDHWBXSA-N 0 1 343.240 2.760 10 30 EFEEMN CN(CC(C)(C)CNCc1cc(F)ccc1C#N)C(=O)c1cc[nH]c1 ZINC001368911411 1339853873 /nfs/dbraw/zinc/85/38/73/1339853873.db2.gz FEJQEYCERQIQPB-UHFFFAOYSA-N 0 1 342.418 2.913 10 30 EFEEMN COc1ccc(CN(C)[C@H](C)CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C#N ZINC001368940796 1339886705 /nfs/dbraw/zinc/88/67/05/1339886705.db2.gz RAPIFAQKNDVPCG-WKCGWZECSA-N 0 1 341.455 2.549 10 30 EFEEMN CCO[C@H](CC)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)CC1(C)C ZINC001369104910 1339917844 /nfs/dbraw/zinc/91/78/44/1339917844.db2.gz ANTCXOMKCCJIJF-QZTJIDSGSA-N 0 1 343.471 2.700 10 30 EFEEMN CC1(C)CN(Cc2cccc(C#N)c2)C[C@@H]1NC(=O)C1(C(F)F)CC1 ZINC001369108553 1339920186 /nfs/dbraw/zinc/92/01/86/1339920186.db2.gz PWOFNEGUZMEQLR-HNNXBMFYSA-N 0 1 347.409 2.930 10 30 EFEEMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21)C1CC1 ZINC001369125658 1339932012 /nfs/dbraw/zinc/93/20/12/1339932012.db2.gz VYBVCLIMGFEQCV-GYIHYUDTSA-N 0 1 341.430 2.537 10 30 EFEEMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)CCc3ccccc3C)[C@@H]2C1 ZINC001369136805 1339937791 /nfs/dbraw/zinc/93/77/91/1339937791.db2.gz GRNPCHJPFGFJIJ-NNZMDNLPSA-N 0 1 332.875 2.974 10 30 EFEEMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Oc3ccc(C)cc3)[C@@H]2C1 ZINC001369151893 1339945353 /nfs/dbraw/zinc/94/53/53/1339945353.db2.gz DNGTUHOOVQFJDT-LEUOFYLZSA-N 0 1 348.874 2.809 10 30 EFEEMN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)[C@@H](OCC)C(C)C)C1 ZINC001370292718 1340013800 /nfs/dbraw/zinc/01/38/00/1340013800.db2.gz CNIYKURQNQYVCA-HOTGVXAUSA-N 0 1 330.900 2.970 10 30 EFEEMN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)CC(C)(C)COC)C1 ZINC001370300569 1340019798 /nfs/dbraw/zinc/01/97/98/1340019798.db2.gz BFAJBKKYKOSENY-HNNXBMFYSA-N 0 1 330.900 2.972 10 30 EFEEMN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001370305951 1340024737 /nfs/dbraw/zinc/02/47/37/1340024737.db2.gz MENLAYAJAMDMRW-MAUKXSAKSA-N 0 1 348.874 2.913 10 30 EFEEMN CCO[C@H](CC)C(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC001370841176 1340228906 /nfs/dbraw/zinc/22/89/06/1340228906.db2.gz GAINYKMXLIFQKK-RBUKOAKNSA-N 0 1 343.471 2.844 10 30 EFEEMN C[C@H](C#N)C(=O)NC1CCC(NCc2cc(C(C)(C)C)on2)CC1 ZINC001371061418 1340336551 /nfs/dbraw/zinc/33/65/51/1340336551.db2.gz XBIGFORCXDIQSY-IYXRBSQSSA-N 0 1 332.448 2.649 10 30 EFEEMN COc1ccc(C#N)cc1CN[C@H](C)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001371141408 1340374983 /nfs/dbraw/zinc/37/49/83/1340374983.db2.gz HZGRGXMTLVXVHI-WKCGWZECSA-N 0 1 341.455 2.597 10 30 EFEEMN C[C@@H](CNC(=O)Cc1ccccc1)NCc1ccc(C#N)cc1F ZINC001371231518 1340437854 /nfs/dbraw/zinc/43/78/54/1340437854.db2.gz COYDLJLTOLNCTA-AWEZNQCLSA-N 0 1 325.387 2.534 10 30 EFEEMN C=C(Br)CN[C@@H](C)CNC(=O)C[C@H]1CCCC1(F)F ZINC001371335881 1340505649 /nfs/dbraw/zinc/50/56/49/1340505649.db2.gz SYMXEDPWBTYKDJ-WDEREUQCSA-N 0 1 339.224 2.815 10 30 EFEEMN C[C@@H](CNC(=O)[C@@H]1Cc2ccccc21)NCc1ccc(C#N)cc1F ZINC001371349680 1340518481 /nfs/dbraw/zinc/51/84/81/1340518481.db2.gz RVPWPFKQQNNBME-SCLBCKFNSA-N 0 1 337.398 2.632 10 30 EFEEMN CCC[C@H](OCC)C(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001371530089 1340634267 /nfs/dbraw/zinc/63/42/67/1340634267.db2.gz HHWJHASYMVCZPG-WMZOPIPTSA-N 0 1 347.434 2.593 10 30 EFEEMN CCC[C@@H]1C[C@@H](C(=O)NCCN(C)Cc2ccc(C#N)cc2)CCO1 ZINC001372165626 1340751126 /nfs/dbraw/zinc/75/11/26/1340751126.db2.gz SMQJRDHAPQLJKP-RBUKOAKNSA-N 0 1 343.471 2.702 10 30 EFEEMN CC[C@@H](F)CN[C@@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccccc1 ZINC001373041066 1340882762 /nfs/dbraw/zinc/88/27/62/1340882762.db2.gz UHSQPCVGFLLDBO-WBVHZDCISA-N 0 1 328.391 2.695 10 30 EFEEMN C[C@H](C#N)C(=O)NCC[C@H]1CCN(Cc2cc(F)ccc2Cl)C1 ZINC001373148319 1340925879 /nfs/dbraw/zinc/92/58/79/1340925879.db2.gz BPSYNPZQERYMIR-OLZOCXBDSA-N 0 1 337.826 2.967 10 30 EFEEMN COc1ccc(Cl)cc1CN1CC[C@@H](CCNC(=O)[C@@H](C)C#N)C1 ZINC001373155750 1340928466 /nfs/dbraw/zinc/92/84/66/1340928466.db2.gz KOXLKZJBEXNQHJ-UONOGXRCSA-N 0 1 349.862 2.836 10 30 EFEEMN CC[C@@H](F)C(=O)NCC[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC001373205477 1340947463 /nfs/dbraw/zinc/94/74/63/1340947463.db2.gz HRMXUJOFDFIHKE-CZUORRHYSA-N 0 1 335.398 2.774 10 30 EFEEMN C=C(Cl)CN1CC[C@@H](CCNC(=O)c2cncc(Cl)c2)C1 ZINC001373234437 1340960873 /nfs/dbraw/zinc/96/08/73/1340960873.db2.gz FDDIJHGCTDLGBI-GFCCVEGCSA-N 0 1 328.243 2.929 10 30 EFEEMN C=C(Cl)CN1CC[C@H](CCNC(=O)c2cncc(Cl)c2)C1 ZINC001373234438 1340960893 /nfs/dbraw/zinc/96/08/93/1340960893.db2.gz FDDIJHGCTDLGBI-LBPRGKRZSA-N 0 1 328.243 2.929 10 30 EFEEMN C=C(Cl)CN(C)CC1CCN(C(=O)[C@H](OC)[C@H](C)CC)CC1 ZINC001373318653 1340989480 /nfs/dbraw/zinc/98/94/80/1340989480.db2.gz HTSYOISREYPMRK-CZUORRHYSA-N 0 1 330.900 2.970 10 30 EFEEMN CSC[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC001373370338 1341003278 /nfs/dbraw/zinc/00/32/78/1341003278.db2.gz VFOMDGIIGCBJPW-RHSMWYFYSA-N 0 1 331.485 2.638 10 30 EFEEMN COCC(C)(C)CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC001373373658 1341004232 /nfs/dbraw/zinc/00/42/32/1341004232.db2.gz CKHCNHWHPCJODZ-GOSISDBHSA-N 0 1 343.471 2.702 10 30 EFEEMN C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)N(C)CC ZINC001373578106 1341059164 /nfs/dbraw/zinc/05/91/64/1341059164.db2.gz KNSJOBZSGWNDKD-BZSNNMDCSA-N 0 1 347.890 2.717 10 30 EFEEMN CC[C@@H](C)CC(=O)N[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC001373626976 1341075036 /nfs/dbraw/zinc/07/50/36/1341075036.db2.gz WZOLVFHVEFRCIY-NVXWUHKLSA-N 0 1 329.444 2.716 10 30 EFEEMN CCN(C(=O)[C@@H](C)CSC)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001373702743 1341110204 /nfs/dbraw/zinc/11/02/04/1341110204.db2.gz ZZBJOBVKSQMXED-MAUKXSAKSA-N 0 1 345.512 2.980 10 30 EFEEMN CC[C@@H](CNC(=O)[C@H](C)C#N)NCc1cc(-c2cccs2)on1 ZINC001373736679 1341127883 /nfs/dbraw/zinc/12/78/83/1341127883.db2.gz GSNGZBPDCYHGFX-NEPJUHHUSA-N 0 1 332.429 2.547 10 30 EFEEMN CC[C@@H](CNC(=O)[C@H]1CCC1(F)F)NCc1cc(C#N)ccc1F ZINC001373770894 1341141058 /nfs/dbraw/zinc/14/10/58/1341141058.db2.gz VXRBMUMDFOVERY-UONOGXRCSA-N 0 1 339.361 2.727 10 30 EFEEMN C=C(Cl)CN[C@H](CC)CNC(=O)C[C@@H]1OCCc2ccccc21 ZINC001373819113 1341161431 /nfs/dbraw/zinc/16/14/31/1341161431.db2.gz CZJSTDULRPCQOM-WBVHZDCISA-N 0 1 336.863 2.927 10 30 EFEEMN C[C@H]1OCC[C@@H]1C(=O)NC1(CNCc2ccccc2C#N)CCCC1 ZINC001373859310 1341177975 /nfs/dbraw/zinc/17/79/75/1341177975.db2.gz UMJVYPQEOYZBOM-QAPCUYQASA-N 0 1 341.455 2.502 10 30 EFEEMN CS[C@H](C)C(=O)N[C@](C)(CNCc1cc(F)ccc1C#N)C1CC1 ZINC001373868310 1341181405 /nfs/dbraw/zinc/18/14/05/1341181405.db2.gz GGXRIIUPWQWGAO-KZULUSFZSA-N 0 1 349.475 2.823 10 30 EFEEMN C[C@@H]1C[C@@H]1C(=O)NCCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC001373937248 1341222016 /nfs/dbraw/zinc/22/20/16/1341222016.db2.gz YHWUTKLNGLMJRT-DYVFJYSZSA-N 0 1 331.485 2.994 10 30 EFEEMN C[C@H]1C[C@@H]1C(=O)NCC1(NCc2cc(F)ccc2C#N)CCCC1 ZINC001374146109 1341458489 /nfs/dbraw/zinc/45/84/89/1341458489.db2.gz JTBHDJWUTGXRDJ-GUYCJALGSA-N 0 1 329.419 2.872 10 30 EFEEMN CC(C)CO[C@H](C)C(=O)N(C)[C@@H](C)CNCc1ccccc1C#N ZINC001374200589 1341549639 /nfs/dbraw/zinc/54/96/39/1341549639.db2.gz GBBGMQFRRFRRRE-JKSUJKDBSA-N 0 1 331.460 2.556 10 30 EFEEMN CSC[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)cc1F ZINC001374206240 1341553419 /nfs/dbraw/zinc/55/34/19/1341553419.db2.gz MOHYVSKZMFLGBN-QWHCGFSZSA-N 0 1 337.464 2.633 10 30 EFEEMN Cc1oc(-c2ccccc2)nc1CNC[C@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001374206234 1341553621 /nfs/dbraw/zinc/55/36/21/1341553621.db2.gz MMZMKGVJDJJHPA-KBPBESRZSA-N 0 1 340.427 2.746 10 30 EFEEMN C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNCc1sccc1Br ZINC001374207685 1341554785 /nfs/dbraw/zinc/55/47/85/1341554785.db2.gz SJFLILAZEFYCHE-UWVGGRQHSA-N 0 1 344.278 2.607 10 30 EFEEMN C[C@H](CNCc1cc(F)ccc1Cl)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001374222637 1341572970 /nfs/dbraw/zinc/57/29/70/1341572970.db2.gz VGOOJVVSWBPLPR-LLVKDONJSA-N 0 1 348.809 2.929 10 30 EFEEMN C[C@H](C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)cc1F)C(C)(F)F ZINC001374285592 1341660549 /nfs/dbraw/zinc/66/05/49/1341660549.db2.gz ZYPNKDISEWZUDS-NWDGAFQWSA-N 0 1 341.377 2.925 10 30 EFEEMN C=C(Br)CNC[C@@H](C)N(C)C(=O)c1cc(C)[nH]c1C ZINC001374293526 1341673639 /nfs/dbraw/zinc/67/36/39/1341673639.db2.gz JRQSXOFUWLQMQL-LLVKDONJSA-N 0 1 328.254 2.590 10 30 EFEEMN CO[C@@H](C)C(=O)N[C@H](CNCc1ccccc1C#N)C1CCCCC1 ZINC001374362493 1341799050 /nfs/dbraw/zinc/79/90/50/1341799050.db2.gz SRDIMKAACDNQSD-HNAYVOBHSA-N 0 1 343.471 2.748 10 30 EFEEMN C[C@@H](CC(=O)N(C)CCN(C)Cc1cccc(C#N)c1)n1cccc1 ZINC001392319604 1355981389 /nfs/dbraw/zinc/98/13/89/1355981389.db2.gz QDGYQLOMMLNWOO-KRWDZBQOSA-N 0 1 338.455 2.901 10 30 EFEEMN CN(CCN(C)C(=O)c1cccs1)Cc1ccc(C#N)c(F)c1 ZINC001374459009 1341939526 /nfs/dbraw/zinc/93/95/26/1341939526.db2.gz MMLAIMVHNLXZED-UHFFFAOYSA-N 0 1 331.416 2.963 10 30 EFEEMN COc1ccc(C(C)C)cc1CN(C)CCN(C)C(=O)[C@@H](C)C#N ZINC001374472160 1341951629 /nfs/dbraw/zinc/95/16/29/1341951629.db2.gz RQXIKILSLQISDN-HNNXBMFYSA-N 0 1 331.460 2.868 10 30 EFEEMN C[C@@H](C#N)C(=O)N[C@H](CNCc1nc(C(C)(C)C)cs1)C1CC1 ZINC001392766125 1356309809 /nfs/dbraw/zinc/30/98/09/1356309809.db2.gz IBNOGSYSUNBGGT-WCQYABFASA-N 0 1 334.489 2.585 10 30 EFEEMN C[C@H](C#N)C(=O)N[C@H](CNCc1nc(C(C)(C)C)cs1)C1CC1 ZINC001392766117 1356309860 /nfs/dbraw/zinc/30/98/60/1356309860.db2.gz IBNOGSYSUNBGGT-DGCLKSJQSA-N 0 1 334.489 2.585 10 30 EFEEMN C=C(Cl)CNC[C@@H](C)NC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001374784564 1342168927 /nfs/dbraw/zinc/16/89/27/1342168927.db2.gz AZWKRWYBLHWLRT-YPMHNXCESA-N 0 1 326.799 2.539 10 30 EFEEMN CCCc1[nH]ccc1C(=O)N[C@H](C)CNCc1cc(C#N)ccc1F ZINC001374801789 1342178749 /nfs/dbraw/zinc/17/87/49/1342178749.db2.gz KWMJDNOTWPIBLA-CYBMUJFWSA-N 0 1 342.418 2.886 10 30 EFEEMN Cc1cc(C)c(C(=O)N[C@@H](C)CNCc2cc(C#N)ccc2F)[nH]1 ZINC001374905943 1342233639 /nfs/dbraw/zinc/23/36/39/1342233639.db2.gz VLFFDZOUKLJDJW-ZDUSSCGKSA-N 0 1 328.391 2.550 10 30 EFEEMN C=C(Br)CNC[C@H](C)NC(=O)c1cc(C)n(CC)c1C ZINC001374907587 1342234290 /nfs/dbraw/zinc/23/42/90/1342234290.db2.gz HFTRINVAGHKBSI-NSHDSACASA-N 0 1 342.281 2.741 10 30 EFEEMN C=C(Cl)CNC[C@H](C)NC(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001374958046 1342268288 /nfs/dbraw/zinc/26/82/88/1342268288.db2.gz MFLPUXGGFMLSHJ-STQMWFEESA-N 0 1 325.840 2.719 10 30 EFEEMN Cc1cncc(C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)c(F)c2)c1 ZINC001375018204 1342317825 /nfs/dbraw/zinc/31/78/25/1342317825.db2.gz KXIWJAUQZQYFHU-AWEZNQCLSA-N 0 1 340.402 2.651 10 30 EFEEMN Cc1cc[nH]c1C(=O)N[C@H](C)CN(C)Cc1ccc(F)c(C#N)c1 ZINC001375031049 1342330910 /nfs/dbraw/zinc/33/09/10/1342330910.db2.gz RVKDZBQSSHQIBK-CYBMUJFWSA-N 0 1 328.391 2.584 10 30 EFEEMN C[C@@H](CN(C)Cc1ccc(C#N)c(F)c1)NC(=O)C1C=CC=CC=C1 ZINC001375045760 1342345820 /nfs/dbraw/zinc/34/58/20/1342345820.db2.gz VNUJUPHCHDYWIY-HNNXBMFYSA-N 0 1 339.414 2.932 10 30 EFEEMN COCC(C)(C)CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)c(F)c1 ZINC001375082207 1342390861 /nfs/dbraw/zinc/39/08/61/1342390861.db2.gz YXGQCFPXSPVEDR-CQSZACIVSA-N 0 1 349.450 2.697 10 30 EFEEMN C[C@H](C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)c(F)c1)C(C)(F)F ZINC001375100282 1342409065 /nfs/dbraw/zinc/40/90/65/1342409065.db2.gz FSDPYRTVNLWWHY-NWDGAFQWSA-N 0 1 341.377 2.925 10 30 EFEEMN C[C@H](CN(C)Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H](C)C(C)(F)F ZINC001375100286 1342409383 /nfs/dbraw/zinc/40/93/83/1342409383.db2.gz FSDPYRTVNLWWHY-VXGBXAGGSA-N 0 1 341.377 2.925 10 30 EFEEMN C[C@H](CN(C)Cc1ccc(C#N)c(F)c1)NC(=O)[C@H](C)C(C)(F)F ZINC001375100279 1342409474 /nfs/dbraw/zinc/40/94/74/1342409474.db2.gz FSDPYRTVNLWWHY-NEPJUHHUSA-N 0 1 341.377 2.925 10 30 EFEEMN N#Cc1ccc(CNC2(CNC(=O)[C@@H]3CCC[C@H](F)C3)CC2)s1 ZINC001375416428 1342719914 /nfs/dbraw/zinc/71/99/14/1342719914.db2.gz LJFSZWOEIMMTBX-OLZOCXBDSA-N 0 1 335.448 2.886 10 30 EFEEMN N#Cc1ccc(CNC2(CNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)s1 ZINC001375439151 1342743081 /nfs/dbraw/zinc/74/30/81/1342743081.db2.gz NZXYDANUKKSFQR-APHBMKBZSA-N 0 1 329.469 2.794 10 30 EFEEMN CC[C@@H](C)CC(=O)NC1(CNCc2ccccc2C#N)CCOCC1 ZINC001393704264 1357091343 /nfs/dbraw/zinc/09/13/43/1357091343.db2.gz COBXWONGCICMCS-MRXNPFEDSA-N 0 1 343.471 2.749 10 30 EFEEMN CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(C#N)cc2F)CC1 ZINC001375525712 1342835927 /nfs/dbraw/zinc/83/59/27/1342835927.db2.gz KQMKKERHRBQVNI-HOTGVXAUSA-N 0 1 329.419 2.728 10 30 EFEEMN C=C(Cl)CN(CCOC)C1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001375603182 1342923246 /nfs/dbraw/zinc/92/32/46/1342923246.db2.gz ZBBOJVYWUUSURM-OAHLLOKOSA-N 0 1 328.884 2.724 10 30 EFEEMN C=C(Br)CNC[C@@H]1CCCN1C(=O)[C@H](C)OCC(C)C ZINC001375734394 1342963008 /nfs/dbraw/zinc/96/30/08/1342963008.db2.gz DAZXLBBVHYVDQW-KBPBESRZSA-N 0 1 347.297 2.537 10 30 EFEEMN CCCc1nc(C)c(CNC[C@H](NC(=O)[C@@H](C)C#N)C2CCCC2)o1 ZINC001375787063 1343012008 /nfs/dbraw/zinc/01/20/08/1343012008.db2.gz ZUHJYXLVMCGIGM-BBRMVZONSA-N 0 1 346.475 2.860 10 30 EFEEMN C[C@@H](C#N)C(=O)N[C@H](CNCc1ccncc1Cl)C1CCCC1 ZINC001375787057 1343012070 /nfs/dbraw/zinc/01/20/70/1343012070.db2.gz ZSQHMNGCZQJJLV-BLLLJJGKSA-N 0 1 334.851 2.659 10 30 EFEEMN CCCc1nc(C)c(CNC[C@@H](NC(=O)[C@@H](C)C#N)C2CCCC2)o1 ZINC001375787066 1343012771 /nfs/dbraw/zinc/01/27/71/1343012771.db2.gz ZUHJYXLVMCGIGM-XJKSGUPXSA-N 0 1 346.475 2.860 10 30 EFEEMN C=C(Cl)CNC[C@@H](NC(=O)Cc1ncccc1F)C1CCCC1 ZINC001375792834 1343020080 /nfs/dbraw/zinc/02/00/80/1343020080.db2.gz JSLWCYKVLHVEDA-MRXNPFEDSA-N 0 1 339.842 2.780 10 30 EFEEMN CO[C@@H](CC(C)C)C(=O)N[C@]1(C)CCN(Cc2ccc(C#N)cc2)C1 ZINC001375846072 1343085606 /nfs/dbraw/zinc/08/56/06/1343085606.db2.gz SMLAWHHPWULYIA-AZUAARDMSA-N 0 1 343.471 2.700 10 30 EFEEMN C=C(Cl)CN1CCC(C)(CNC(=O)[C@H]2CCC[C@H]2OC)CC1 ZINC001375914935 1343162837 /nfs/dbraw/zinc/16/28/37/1343162837.db2.gz BHXULRKQPQXGTH-LSDHHAIUSA-N 0 1 328.884 2.772 10 30 EFEEMN C=C(Cl)CN1CCC[C@@](C)(CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001375957232 1343214317 /nfs/dbraw/zinc/21/43/17/1343214317.db2.gz QETWSZSQVZDZLL-DYVFJYSZSA-N 0 1 338.883 2.559 10 30 EFEEMN CCCCC(=O)NCC1(NCc2ccc(C#N)cc2F)CCOCC1 ZINC001375963585 1343223383 /nfs/dbraw/zinc/22/33/83/1343223383.db2.gz CFYAHFHPJCYONB-UHFFFAOYSA-N 0 1 347.434 2.643 10 30 EFEEMN C[C@H](CC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1)n1cccc1 ZINC001376158474 1343363239 /nfs/dbraw/zinc/36/32/39/1343363239.db2.gz ZJOGKASGZWCKPP-APWZRJJASA-N 0 1 336.439 2.702 10 30 EFEEMN C[C@H](C(=O)NC[C@@H](NCc1ccccc1C#N)C1CC1)C1CCC1 ZINC001376210591 1343401244 /nfs/dbraw/zinc/40/12/44/1343401244.db2.gz BKRCPSVBXLDQDF-IFXJQAMLSA-N 0 1 325.456 2.979 10 30 EFEEMN C=C(Cl)CN[C@@H](CNC(=O)c1ccc2nc(C)oc2c1)C1CC1 ZINC001376212751 1343402861 /nfs/dbraw/zinc/40/28/61/1343402861.db2.gz JLLHJKBERVOMJM-HNNXBMFYSA-N 0 1 333.819 2.987 10 30 EFEEMN Cc1coc(C(=O)NC[C@@H](NCc2cc(F)ccc2C#N)C2CC2)c1 ZINC001376238585 1343418789 /nfs/dbraw/zinc/41/87/89/1343418789.db2.gz COINQBOJVDWODJ-QGZVFWFLSA-N 0 1 341.386 2.897 10 30 EFEEMN C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CCOC1)C2 ZINC001376365463 1343517670 /nfs/dbraw/zinc/51/76/70/1343517670.db2.gz LCEGWYGZKDQPPS-JONQDZQNSA-N 0 1 326.868 2.525 10 30 EFEEMN CCC[C@H](OC)C(=O)NC[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC001376585871 1343704955 /nfs/dbraw/zinc/70/49/55/1343704955.db2.gz WLAVJTDGLQGJEV-MOPGFXCFSA-N 0 1 343.471 2.844 10 30 EFEEMN CC(C)c1nsc(CNC[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)n1 ZINC001376592977 1343709376 /nfs/dbraw/zinc/70/93/76/1343709376.db2.gz HTQIBSKARTULDZ-MGPQQGTHSA-N 0 1 349.504 2.586 10 30 EFEEMN N#Cc1cc(C(=O)NCC2(NCc3cccc(F)c3F)CCC2)c[nH]1 ZINC001376737636 1343794851 /nfs/dbraw/zinc/79/48/51/1343794851.db2.gz ILDJYURRDBKREG-UHFFFAOYSA-N 0 1 344.365 2.607 10 30 EFEEMN N#Cc1cc(C(=O)NCC2(NCc3cc(F)ccc3F)CCC2)c[nH]1 ZINC001376740936 1343797310 /nfs/dbraw/zinc/79/73/10/1343797310.db2.gz VARHEPVYVLKKLH-UHFFFAOYSA-N 0 1 344.365 2.607 10 30 EFEEMN CC[C@H](C)n1nccc1C(=O)NC[C@@H](C)NCc1ccccc1C#N ZINC001376743664 1343798806 /nfs/dbraw/zinc/79/88/06/1343798806.db2.gz LUXPKDUMTRYTPF-CABCVRRESA-N 0 1 339.443 2.634 10 30 EFEEMN C[C@@H](CNC(=O)c1cccc2c1COCC2)NCc1ccccc1C#N ZINC001376753726 1343808633 /nfs/dbraw/zinc/80/86/33/1343808633.db2.gz UVXXMRVUCDKIBP-HNNXBMFYSA-N 0 1 349.434 2.539 10 30 EFEEMN C=C(Br)CN[C@H](C)CNC(=O)c1cc[nH]c1C(C)C ZINC001376785540 1343837837 /nfs/dbraw/zinc/83/78/37/1343837837.db2.gz HGYXISAPFOKYHZ-LLVKDONJSA-N 0 1 328.254 2.755 10 30 EFEEMN C=C(Cl)CNC1(CNC(=O)CO[C@H]2CCCC[C@H]2C)CCC1 ZINC001376787405 1343838533 /nfs/dbraw/zinc/83/85/33/1343838533.db2.gz JSURQAOTKCBHST-HIFRSBDPSA-N 0 1 328.884 2.963 10 30 EFEEMN C=C(Cl)CNC[C@H]1CN(C(=O)CC(C)(C)C(F)(F)F)CCO1 ZINC001376855086 1343894983 /nfs/dbraw/zinc/89/49/83/1343894983.db2.gz YLXUBFHRUXKFBW-NSHDSACASA-N 0 1 342.789 2.535 10 30 EFEEMN CCC[C@H](CC)C(=O)N1CCO[C@H](CNCc2ccccc2C#N)C1 ZINC001376846930 1343888470 /nfs/dbraw/zinc/88/84/70/1343888470.db2.gz JLLYFEWLGSWDBY-QFBILLFUSA-N 0 1 343.471 2.702 10 30 EFEEMN CC[C@@H](F)C(=O)N[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001376891390 1343928500 /nfs/dbraw/zinc/92/85/00/1343928500.db2.gz IMTTVNGZYXNLCQ-HZPDHXFCSA-N 0 1 335.398 2.916 10 30 EFEEMN Cc1cc(C)c(C(=O)NCC[C@@H](C)NCc2cc(F)ccc2C#N)[nH]1 ZINC001377054228 1344099885 /nfs/dbraw/zinc/09/98/85/1344099885.db2.gz SLZJCWVLSFDVKK-CYBMUJFWSA-N 0 1 342.418 2.941 10 30 EFEEMN CC(C)[C@@H]1C[C@H]1C(=O)NCCN(Cc1cccc(C#N)c1)C1CC1 ZINC001377565596 1344175504 /nfs/dbraw/zinc/17/55/04/1344175504.db2.gz MOBFNYIDBAKTHH-RBUKOAKNSA-N 0 1 325.456 2.931 10 30 EFEEMN C[C@@H](C(=O)NCCN(Cc1ccc(C#N)cc1)C1CC1)c1cccnc1 ZINC001377566204 1344176842 /nfs/dbraw/zinc/17/68/42/1344176842.db2.gz QXXRFLBFANLFIB-MRXNPFEDSA-N 0 1 348.450 2.838 10 30 EFEEMN C[C@@H](C#N)C(=O)NC[C@H](NCc1cccc(F)c1)c1ccccc1 ZINC001377614888 1344222393 /nfs/dbraw/zinc/22/23/93/1344222393.db2.gz VDAYSTGHYDVQLZ-KSSFIOAISA-N 0 1 325.387 2.932 10 30 EFEEMN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001377621036 1344229680 /nfs/dbraw/zinc/22/96/80/1344229680.db2.gz KPOBQRFQBMCQOG-IAGOWNOFSA-N 0 1 335.879 2.670 10 30 EFEEMN CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC001377645930 1344259053 /nfs/dbraw/zinc/25/90/53/1344259053.db2.gz DUZNSPKBFQHYNA-NVXWUHKLSA-N 0 1 329.444 2.668 10 30 EFEEMN CCCN(C(=O)[C@@H](CC)OC)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001377656182 1344274567 /nfs/dbraw/zinc/27/45/67/1344274567.db2.gz VRYIQMYRMRTTQX-RTBURBONSA-N 0 1 343.471 2.796 10 30 EFEEMN C[C@H](C#N)C(=O)NCC[C@@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC001377667614 1344293904 /nfs/dbraw/zinc/29/39/04/1344293904.db2.gz CMCLBZOZTNMOIX-CHWSQXEVSA-N 0 1 337.826 2.967 10 30 EFEEMN C=C(Cl)CN1CC[C@H](CCNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001377689372 1344324261 /nfs/dbraw/zinc/32/42/61/1344324261.db2.gz AYORSBFGJMFFSJ-UXLLHSPISA-N 0 1 326.868 2.526 10 30 EFEEMN C=C(Cl)CN1CC[C@@H](CCNC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001377693913 1344331747 /nfs/dbraw/zinc/33/17/47/1344331747.db2.gz JGTFJKLZWKOUBQ-NVXWUHKLSA-N 0 1 348.874 2.961 10 30 EFEEMN C=C(Cl)CN1CC[C@H](CCNC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001377693921 1344331887 /nfs/dbraw/zinc/33/18/87/1344331887.db2.gz JGTFJKLZWKOUBQ-RDJZCZTQSA-N 0 1 348.874 2.961 10 30 EFEEMN C=C(Cl)CN1CC[C@@H](CCNC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001377718006 1344365795 /nfs/dbraw/zinc/36/57/95/1344365795.db2.gz GPUIXDOBJWGQFE-ZBFHGGJFSA-N 0 1 328.884 2.772 10 30 EFEEMN CC(C)SCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)cc1F ZINC001377761929 1344411106 /nfs/dbraw/zinc/41/11/06/1344411106.db2.gz OWANMKMHJVJRMI-QWHCGFSZSA-N 0 1 337.464 2.822 10 30 EFEEMN CCC[C@H](OC)C(=O)N1CC[C@@H](CN(C)Cc2ccccc2C#N)C1 ZINC001377769075 1344417176 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EFEEMN C=CCOCCN1CC[C@@H](NC(=O)c2ccsc2C(F)(F)F)C1 ZINC001479969065 1398054388 /nfs/dbraw/zinc/05/43/88/1398054388.db2.gz VFTVIRCUJJRESF-LLVKDONJSA-N 0 1 348.390 2.774 10 30 EFEEMN O=C(C#CC1CC1)N[C@H]1CC12CCN(Cc1cc(F)cc(F)c1)CC2 ZINC001479980155 1398066328 /nfs/dbraw/zinc/06/63/28/1398066328.db2.gz HWFRUGCAVBQXJT-SFHVURJKSA-N 0 1 344.405 2.849 10 30 EFEEMN CC[C@@H](F)C(=O)N[C@H]1CC12CCN(Cc1ccccc1C#N)CC2 ZINC001479984732 1398070190 /nfs/dbraw/zinc/07/01/90/1398070190.db2.gz VHWQYFUZLHCXJH-SJORKVTESA-N 0 1 329.419 2.777 10 30 EFEEMN CCCN(C(=O)c1cccc(F)c1)C1CCN(CC#CCOC)CC1 ZINC001479989745 1398075575 /nfs/dbraw/zinc/07/55/75/1398075575.db2.gz LILGDVJYTHKCGK-UHFFFAOYSA-N 0 1 346.446 2.792 10 30 EFEEMN C#CCN1CCC(N(CCC)C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC001479992978 1398077938 /nfs/dbraw/zinc/07/79/38/1398077938.db2.gz HIHYVIKPWPLJIY-UHFFFAOYSA-N 0 1 338.455 2.593 10 30 EFEEMN C#CCN1CCC(N(CCC)C(=O)c2cc(C3CC3)nn2CC)CC1 ZINC001479993474 1398079368 /nfs/dbraw/zinc/07/93/68/1398079368.db2.gz 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346.475 2.584 10 30 EFEEMN C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001480081489 1398117066 /nfs/dbraw/zinc/11/70/66/1398117066.db2.gz NACLETJSANOAIS-HNNXBMFYSA-N 0 1 346.475 2.584 10 30 EFEEMN C=CC(C)(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](C)CC ZINC001480179848 1398148446 /nfs/dbraw/zinc/14/84/46/1398148446.db2.gz QFUCGJNZIFETCV-XYTVBORESA-N 0 1 349.519 2.615 10 30 EFEEMN C=CCCCC(=O)N1CCC[C@@H]2CN(Cc3cncn3C)CC[C@H]21 ZINC001480189728 1398158996 /nfs/dbraw/zinc/15/89/96/1398158996.db2.gz RDRLTFQIQVDTOA-SJLPKXTDSA-N 0 1 330.476 2.589 10 30 EFEEMN C=CCCCC(=O)N1CCC[C@H]2CN(Cc3cncn3C)CC[C@@H]21 ZINC001480189729 1398159266 /nfs/dbraw/zinc/15/92/66/1398159266.db2.gz RDRLTFQIQVDTOA-WMZOPIPTSA-N 0 1 330.476 2.589 10 30 EFEEMN C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001480217074 1398167549 /nfs/dbraw/zinc/16/75/49/1398167549.db2.gz VLLAUBRHHNFGIM-AEGPPILISA-N 0 1 346.475 2.819 10 30 EFEEMN C#CCN1CCCC[C@@H]1CNC(=O)CCOc1ccccc1CC 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EFEEMN COc1ccc(CN(C)C[C@H](C)NC(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001498400930 1402073020 /nfs/dbraw/zinc/07/30/20/1402073020.db2.gz RUQMSJVCSJGFAK-DOPJRALCSA-N 0 1 341.455 2.549 10 30 EFEEMN C#CCC1(C(=O)N[C@@H](C)CN(C)Cc2cccnc2)CCCCC1 ZINC001498463291 1402123684 /nfs/dbraw/zinc/12/36/84/1402123684.db2.gz DVABZJHFMYLPJR-KRWDZBQOSA-N 0 1 327.472 2.992 10 30 EFEEMN CCc1c2ccccc2oc1C(=O)N[C@H](C)CN(C)CC#CCOC ZINC001498463803 1402124088 /nfs/dbraw/zinc/12/40/88/1402124088.db2.gz FEDRLGHDHRHHPW-OAHLLOKOSA-N 0 1 342.439 2.695 10 30 EFEEMN CC(C)C#CC(=O)N[C@H]1CCCC[C@@H]1CNCc1ncc(C2CC2)o1 ZINC001498481216 1402135796 /nfs/dbraw/zinc/13/57/96/1402135796.db2.gz PCEALTKUUPGODN-SJORKVTESA-N 0 1 343.471 2.976 10 30 EFEEMN CC#CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1coc(C)n1 ZINC001498491638 1402143177 /nfs/dbraw/zinc/14/31/77/1402143177.db2.gz QKFIYPQZVNGEQP-SJLPKXTDSA-N 0 1 331.460 2.941 10 30 EFEEMN CC#CCCCC(=O)N[C@@H](CNCc1cc(C)n(C)n1)C(C)(C)C ZINC001508001104 1407236711 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1102202937 /nfs/dbraw/zinc/20/29/37/1102202937.db2.gz OHBQQFHSTYLZLN-SFHVURJKSA-N 0 1 336.520 2.902 10 30 EFEEMN C=C(C)CCC(=O)N1C[C@H]2CCN([C@H](C)c3cnccn3)C[C@H]2C1 ZINC001656810191 1102210227 /nfs/dbraw/zinc/21/02/27/1102210227.db2.gz MANVMXMRQJNQSG-ZACQAIPSSA-N 0 1 328.460 2.674 10 30 EFEEMN C#CCCCCCC(=O)N1CCC[C@H]([C@H](C)NCc2nncs2)C1 ZINC001271654254 1102214370 /nfs/dbraw/zinc/21/43/70/1102214370.db2.gz DDUVNKMPZYPUAZ-HOTGVXAUSA-N 0 1 348.516 2.839 10 30 EFEEMN C=CCC1(C(=O)N2CCC[C@H]([C@H](C)NCc3ncccn3)C2)CCC1 ZINC001271656051 1102217011 /nfs/dbraw/zinc/21/70/11/1102217011.db2.gz PGNDCPANIODFRP-IRXDYDNUSA-N 0 1 342.487 2.940 10 30 EFEEMN CC#CCCCC(=O)N1CCC[C@H]([C@@H](C)NCc2nc(CC)no2)C1 ZINC001271655574 1102217248 /nfs/dbraw/zinc/21/72/48/1102217248.db2.gz NEVRFAOCAJNBDL-CVEARBPZSA-N 0 1 346.475 2.542 10 30 EFEEMN CC#CCCCC(=O)N1CCC[C@H]([C@H](C)NCc2nc(CC)no2)C1 ZINC001271655575 1102217603 /nfs/dbraw/zinc/21/76/03/1102217603.db2.gz NEVRFAOCAJNBDL-HOTGVXAUSA-N 0 1 346.475 2.542 10 30 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2.818 10 30 EFEEMN C=C(C)CCC(=O)N[C@H]1CCN(C[C@@H](O)c2ccc(F)cc2)[C@@H]1C ZINC001656957327 1102271446 /nfs/dbraw/zinc/27/14/46/1102271446.db2.gz OQWPFEBVUTXYMU-FHLIZLRMSA-N 0 1 334.435 2.794 10 30 EFEEMN C=CC(C)(C)CC(=O)N[C@H]1CCN(CCO[C@@H]2CC2(F)F)[C@@H]1C ZINC001656957927 1102271516 /nfs/dbraw/zinc/27/15/16/1102271516.db2.gz YYDXGGKUVYTKIU-HZSPNIEDSA-N 0 1 330.419 2.592 10 30 EFEEMN C=CCc1cc(CNCc2cccc(C(=O)NC)c2)cc(OC)c1O ZINC001656976184 1102276383 /nfs/dbraw/zinc/27/63/83/1102276383.db2.gz SBPDIGOGOUHLMM-UHFFFAOYSA-N 0 1 340.423 2.779 10 30 EFEEMN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2ccnc(N(C)C)c2)[C@@H]1C ZINC001656986904 1102280672 /nfs/dbraw/zinc/28/06/72/1102280672.db2.gz FQKVDCIAPKLKSL-WBVHZDCISA-N 0 1 344.503 2.829 10 30 EFEEMN CC#CCCCC(=O)N[C@H]1CCN(C[C@H](O)c2ccccc2F)[C@@H]1C ZINC001656986912 1102282605 /nfs/dbraw/zinc/28/26/05/1102282605.db2.gz FUVQAABWKLEYIM-MNEFBYGVSA-N 0 1 346.446 2.632 10 30 EFEEMN C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)NC(C)=O 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349.519 2.570 10 30 EFEEMN C#CCN(C)C[C@@H]1CCCCN1C(=O)CCCc1csc(C)n1 ZINC001657063636 1102303653 /nfs/dbraw/zinc/30/36/53/1102303653.db2.gz VSEPLXXSUUYOGU-KRWDZBQOSA-N 0 1 333.501 2.720 10 30 EFEEMN CC#CCN(C)C[C@@H]1CCCCN1C(=O)c1sc(CC)nc1C ZINC001657075933 1102311419 /nfs/dbraw/zinc/31/14/19/1102311419.db2.gz LAZKPKRYNQZQGB-HNNXBMFYSA-N 0 1 333.501 2.964 10 30 EFEEMN C#CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(Br)o1 ZINC001657079445 1102311882 /nfs/dbraw/zinc/31/18/82/1102311882.db2.gz FDQCTFQJYDWPIO-LBPRGKRZSA-N 0 1 339.233 2.602 10 30 EFEEMN C=CCCC(=O)N1CCc2sc(CNC[C@@H]3CCCCO3)nc2C1 ZINC001657082894 1102314370 /nfs/dbraw/zinc/31/43/70/1102314370.db2.gz OJGKFFWZBXSEPJ-AWEZNQCLSA-N 0 1 349.500 2.653 10 30 EFEEMN C=CCCNCc1nc2c(s1)CCN(C(=O)C1(C(F)F)CC1)C2 ZINC001657086980 1102320001 /nfs/dbraw/zinc/32/00/01/1102320001.db2.gz TYVNSYKPFDKRAV-UHFFFAOYSA-N 0 1 341.427 2.739 10 30 EFEEMN C=CCCNCc1nc2c(s1)CCN(C(=O)[C@H]1[C@@H]3CCC[C@@H]31)C2 ZINC001657086835 1102322201 /nfs/dbraw/zinc/32/22/01/1102322201.db2.gz OKGKJVQPWQLJSB-LAQFHYBYSA-N 0 1 331.485 2.740 10 30 EFEEMN C=CCCNCc1nc2c(s1)CCN(C(=O)c1ccc(OC)o1)C2 ZINC001657091279 1102324456 /nfs/dbraw/zinc/32/44/56/1102324456.db2.gz JLFVYVJSCZDZKZ-UHFFFAOYSA-N 0 1 347.440 2.609 10 30 EFEEMN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cc(C)ncn1 ZINC001482495065 1102325066 /nfs/dbraw/zinc/32/50/66/1102325066.db2.gz ZNBJNTBCBAUFPC-CRAIPNDOSA-N 0 1 330.476 2.858 10 30 EFEEMN C#CCCNCc1nc2c(s1)CCN(C(=O)C1(CCC)CC1)C2 ZINC001657091720 1102325713 /nfs/dbraw/zinc/32/57/13/1102325713.db2.gz WXKHSRSFLBOWQS-UHFFFAOYSA-N 0 1 331.485 2.721 10 30 EFEEMN CC(C)C#CC(=O)N[C@H]1CCN(Cc2cncc(F)c2)CC(C)(C)C1 ZINC001657095845 1102326410 /nfs/dbraw/zinc/32/64/10/1102326410.db2.gz HHOGGTKPECVYIQ-SFHVURJKSA-N 0 1 345.462 2.987 10 30 EFEEMN Cc1cccc(C(=O)N2CC[C@H](NCC#Cc3ccc(F)cc3)C2)c1 ZINC001266504474 1102334903 /nfs/dbraw/zinc/33/49/03/1102334903.db2.gz DMIRPCHGOWCJEZ-FQEVSTJZSA-N 0 1 336.410 2.990 10 30 EFEEMN N#CCN(CCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1 ZINC001657135071 1102346768 /nfs/dbraw/zinc/34/67/68/1102346768.db2.gz IVLUBSJNSHCXRK-UHFFFAOYSA-N 0 1 332.879 2.840 10 30 EFEEMN C=C1CCC(C(=O)N(C)CCN[C@H](C)C(=O)Nc2ccccc2)CC1 ZINC001266828019 1102374641 /nfs/dbraw/zinc/37/46/41/1102374641.db2.gz JVPGQGXXJBDQRI-MRXNPFEDSA-N 0 1 343.471 2.808 10 30 EFEEMN C=CCOc1ccc(CNCc2cccc(S(C)(=O)=O)c2)cc1 ZINC001657349568 1102375778 /nfs/dbraw/zinc/37/57/78/1102375778.db2.gz VTUQQKQSTVSMMI-UHFFFAOYSA-N 0 1 331.437 2.945 10 30 EFEEMN C[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[C@H]1c1ccccc1 ZINC001657416147 1102380601 /nfs/dbraw/zinc/38/06/01/1102380601.db2.gz SSBSHPKRYACSIN-KBXCAEBGSA-N 0 1 347.422 2.932 10 30 EFEEMN CC(C)OCCC(=O)N1CC[C@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001266508965 1102384643 /nfs/dbraw/zinc/38/46/43/1102384643.db2.gz LMLMKKCORQOJKT-SFHVURJKSA-N 0 1 348.874 2.697 10 30 EFEEMN C=CCOCC(=O)NC[C@@H]1CCCCN1Cc1cc(F)ccc1C ZINC001266837856 1102397563 /nfs/dbraw/zinc/39/75/63/1102397563.db2.gz XQUAXYJDPMWOEL-SFHVURJKSA-N 0 1 334.435 2.807 10 30 EFEEMN C=CCN1CCCC[C@H]1CNC(=O)COCCc1cccc(F)c1 ZINC001266844930 1102417267 /nfs/dbraw/zinc/41/72/67/1102417267.db2.gz QXDIAYREDZCABE-SFHVURJKSA-N 0 1 334.435 2.542 10 30 EFEEMN CC(C)C#CC(=O)N1CCC(CCN(C)[C@H](C)c2ncccn2)CC1 ZINC001482504144 1102429129 /nfs/dbraw/zinc/42/91/29/1102429129.db2.gz DYEUDQBXBPNQDJ-QGZVFWFLSA-N 0 1 342.487 2.758 10 30 EFEEMN C=C(Cl)CN(C)CCC1CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001482507761 1102444973 /nfs/dbraw/zinc/44/49/73/1102444973.db2.gz GXBITOSVCHHOGY-AEFFLSMTSA-N 0 1 340.895 2.726 10 30 EFEEMN C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(OC)no1 ZINC001271729618 1102451818 /nfs/dbraw/zinc/45/18/18/1102451818.db2.gz FQTQAJBQTUEJGV-QDMKHBRRSA-N 0 1 333.432 2.509 10 30 EFEEMN C=C1CCC(C(=O)NC[C@@H]2CCCCN2CCOCC(F)F)CC1 ZINC001266853247 1102453626 /nfs/dbraw/zinc/45/36/26/1102453626.db2.gz IRLGGOMXPYXIGO-INIZCTEOSA-N 0 1 344.446 2.985 10 30 EFEEMN C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1CCO[C@H]1CC1(F)F ZINC001266856188 1102470969 /nfs/dbraw/zinc/47/09/69/1102470969.db2.gz LAIFIKZAYZLTQO-CABCVRRESA-N 0 1 344.446 2.984 10 30 EFEEMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)OCCc2ccccc21 ZINC001266857841 1102481216 /nfs/dbraw/zinc/48/12/16/1102481216.db2.gz BEVQCXGYMLDRET-XLIONFOSSA-N 0 1 328.456 2.631 10 30 EFEEMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@]1(C)OCCc2ccccc21 ZINC001266857841 1102481222 /nfs/dbraw/zinc/48/12/22/1102481222.db2.gz BEVQCXGYMLDRET-XLIONFOSSA-N 0 1 328.456 2.631 10 30 EFEEMN CC1(C)C[C@@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2Cl)C1 ZINC001266519808 1102490661 /nfs/dbraw/zinc/49/06/61/1102490661.db2.gz ZVIUEWJPGANQRN-JKSUJKDBSA-N 0 1 330.859 2.928 10 30 EFEEMN C#CCOc1cccc(Cl)c1CN1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC001658918162 1102499349 /nfs/dbraw/zinc/49/93/49/1102499349.db2.gz KIRWDXMZJVXVHG-ZIAGYGMSSA-N 0 1 335.831 2.983 10 30 EFEEMN C=CCCC(=O)N1CCCC[C@@H]1CNCC(=O)Nc1cccc(C)c1 ZINC001266865094 1102515567 /nfs/dbraw/zinc/51/55/67/1102515567.db2.gz ORDFSTLSOJRIKM-GOSISDBHSA-N 0 1 343.471 2.870 10 30 EFEEMN C=CCC1(NS(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)CCCC1 ZINC001670382326 1102563912 /nfs/dbraw/zinc/56/39/12/1102563912.db2.gz AVUPEBAWNNMWPM-UHFFFAOYSA-N 0 1 347.820 2.887 10 30 EFEEMN C[C@@H](Cc1ccco1)C(=O)N(C)CCNCc1ccccc1C#N ZINC001266883131 1102582830 /nfs/dbraw/zinc/58/28/30/1102582830.db2.gz VHXSYPHDZYTOTA-HNNXBMFYSA-N 0 1 325.412 2.578 10 30 EFEEMN C=CC1(CC(=O)N(C)CCNCc2nccnc2C)CCCCC1 ZINC001266883324 1102583333 /nfs/dbraw/zinc/58/33/33/1102583333.db2.gz ZCKJYWKRNVPCLD-UHFFFAOYSA-N 0 1 330.476 2.860 10 30 EFEEMN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN(Cc2cc(CO)ccc2F)C1 ZINC001266534133 1102586242 /nfs/dbraw/zinc/58/62/42/1102586242.db2.gz VLQYJBCYYCCSOS-JXFKEZNVSA-N 0 1 348.462 2.858 10 30 EFEEMN C=CCOCC(=O)N1CCCC[C@H]1[C@H]1CCCN1Cc1cncs1 ZINC001266887699 1102595768 /nfs/dbraw/zinc/59/57/68/1102595768.db2.gz ZYTVUFBYCVFQHV-SJORKVTESA-N 0 1 349.500 2.691 10 30 EFEEMN C=C[C@@](C)(O)CC(=O)NCCCN(C)[C@@H](C)c1nc2ccccc2o1 ZINC001660116648 1102605394 /nfs/dbraw/zinc/60/53/94/1102605394.db2.gz MOZHCTIYHDPGLF-IFXJQAMLSA-N 0 1 345.443 2.654 10 30 EFEEMN C=C(C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cnc(C)cn2)C1 ZINC001266890778 1102606485 /nfs/dbraw/zinc/60/64/85/1102606485.db2.gz MAUTTYXNMOPWNK-SJORKVTESA-N 0 1 330.476 2.858 10 30 EFEEMN CC(C)[C@H](C)C(=O)NC[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC001266537460 1102613260 /nfs/dbraw/zinc/61/32/60/1102613260.db2.gz LYPHQGWPHGHKSM-WMZOPIPTSA-N 0 1 330.447 2.907 10 30 EFEEMN C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC001266893351 1102614450 /nfs/dbraw/zinc/61/44/50/1102614450.db2.gz ZVLLUMXNZFQPBS-QFBILLFUSA-N 0 1 335.451 2.688 10 30 EFEEMN C=CCOCC(=O)N[C@H](C)[C@@H]1CCCN(CC=C(Cl)Cl)C1 ZINC001266894510 1102616462 /nfs/dbraw/zinc/61/64/62/1102616462.db2.gz VVXGEWHBBKJZED-CHWSQXEVSA-N 0 1 335.275 2.725 10 30 EFEEMN C=CCNC(=O)[C@@H](C)[N@H+](C)CCC1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001271765808 1102632077 /nfs/dbraw/zinc/63/20/77/1102632077.db2.gz BTXWIGGKSMIKIE-QLGNDSFESA-N 0 1 349.519 2.594 10 30 EFEEMN C=CCCC(=O)N1CCC(CCN(C)Cc2snnc2C)CC1 ZINC001271766649 1102632622 /nfs/dbraw/zinc/63/26/22/1102632622.db2.gz SPESJXSVZBZWBT-UHFFFAOYSA-N 0 1 336.505 2.873 10 30 EFEEMN CC(C)C#CC(=O)N1CCC(CC[N@@H+](C)Cc2cncc(F)c2)CC1 ZINC001271772842 1102645093 /nfs/dbraw/zinc/64/50/93/1102645093.db2.gz WULBBECLZULOKV-UHFFFAOYSA-N 0 1 345.462 2.941 10 30 EFEEMN CN(CCCNC(=O)c1ncc(Cl)s1)Cc1ccccc1C#N ZINC001660225275 1102645418 /nfs/dbraw/zinc/64/54/18/1102645418.db2.gz OTLGOSSKWNZNDL-UHFFFAOYSA-N 0 1 348.859 2.920 10 30 EFEEMN C[C@H]1CO[C@H](C(=O)NCCCN(C)CC#Cc2ccccc2Cl)C1 ZINC001660234456 1102647544 /nfs/dbraw/zinc/64/75/44/1102647544.db2.gz DTMNTSFXCIRIDR-QAPCUYQASA-N 0 1 348.874 2.555 10 30 EFEEMN CC#CCCCC(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001266543878 1102654005 /nfs/dbraw/zinc/65/40/05/1102654005.db2.gz ZJCWVYDYIPXEAC-IBGZPJMESA-N 0 1 326.415 2.561 10 30 EFEEMN C=C(C)CCC(=O)NC1CCC(NCc2ncnn2CCC)CC1 ZINC001266909530 1102665256 /nfs/dbraw/zinc/66/52/56/1102665256.db2.gz VNGQOMPQCPCIHZ-UHFFFAOYSA-N 0 1 333.480 2.561 10 30 EFEEMN C=C(C)CCC(=O)NC1CCC(NCc2nc(C3CC3)nn2C)CC1 ZINC001266909638 1102666524 /nfs/dbraw/zinc/66/65/24/1102666524.db2.gz ZTPDZDZJVJAXOA-UHFFFAOYSA-N 0 1 345.491 2.566 10 30 EFEEMN C=CC(C)(C)C(=O)NC1CCC(NCc2nnc(C)n2CCC)CC1 ZINC001266912420 1102676726 /nfs/dbraw/zinc/67/67/26/1102676726.db2.gz GSJHYFXCYSDYHB-UHFFFAOYSA-N 0 1 347.507 2.726 10 30 EFEEMN CC(C)C#CC(=O)N[C@H](CNCc1cc(O)ccc1Cl)C1CC1 ZINC001670470812 1102681658 /nfs/dbraw/zinc/68/16/58/1102681658.db2.gz ZLXZNECNKYOHAE-QGZVFWFLSA-N 0 1 334.847 2.689 10 30 EFEEMN C[C@@H](CNC(=O)C(C)(F)F)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC001266917682 1102686343 /nfs/dbraw/zinc/68/63/43/1102686343.db2.gz HHOWGLIGHXIBKZ-NSHDSACASA-N 0 1 348.315 2.806 10 30 EFEEMN C=CCCSCCNC(=O)c1c[nH]c2cc(OC)ccc2c1=O ZINC001648908088 1102689113 /nfs/dbraw/zinc/68/91/13/1102689113.db2.gz UVTMGFRWBTYLRE-UHFFFAOYSA-N 0 1 332.425 2.576 10 30 EFEEMN COc1ccc(C(=O)NCCCN(C)Cc2cc(C#N)ccc2F)o1 ZINC001660341411 1102698124 /nfs/dbraw/zinc/69/81/24/1102698124.db2.gz PAYPLXRBZULIRA-UHFFFAOYSA-N 0 1 345.374 2.551 10 30 EFEEMN COc1ccc(C#N)cc1CN(C)CCCNC(=O)[C@H]1C[C@@H]1C(C)C ZINC001660352748 1102703789 /nfs/dbraw/zinc/70/37/89/1102703789.db2.gz WOSZRIKIXJYZFW-MSOLQXFVSA-N 0 1 343.471 2.797 10 30 EFEEMN CN(CCCNC(=O)c1cnoc1C1CC1)Cc1ccccc1C#N ZINC001660356668 1102707118 /nfs/dbraw/zinc/70/71/18/1102707118.db2.gz XLMUJFZFNIJVBY-UHFFFAOYSA-N 0 1 338.411 2.676 10 30 EFEEMN Cc1conc1C(=O)NCCCN(C)CC#Cc1ccccc1Cl ZINC001660360128 1102710495 /nfs/dbraw/zinc/71/04/95/1102710495.db2.gz LAPMXYDWHVCUHU-UHFFFAOYSA-N 0 1 345.830 2.740 10 30 EFEEMN C#CCCCC(=O)NC[C@@H](C)N[C@H](C)C(=O)Nc1cccc(C)c1C ZINC001266932142 1102723758 /nfs/dbraw/zinc/72/37/58/1102723758.db2.gz FROWKYODCLMODA-NVXWUHKLSA-N 0 1 343.471 2.528 10 30 EFEEMN Cc1[nH]ccc1C(=O)NC[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001266933403 1102723924 /nfs/dbraw/zinc/72/39/24/1102723924.db2.gz ZTZAWGURXCSFDS-CYBMUJFWSA-N 0 1 329.831 2.736 10 30 EFEEMN CO[C@@H](C)CCC(=O)NC[C@@H](C)NCC#Cc1ccccc1Cl ZINC001266934069 1102727439 /nfs/dbraw/zinc/72/74/39/1102727439.db2.gz SZUPPNWXTCXFGH-CABCVRRESA-N 0 1 336.863 2.601 10 30 EFEEMN Cc1ncsc1CCC(=O)N(C)CCNCc1ccccc1C#N ZINC001266935796 1102728561 /nfs/dbraw/zinc/72/85/61/1102728561.db2.gz KUHJDIVSNHKAOO-UHFFFAOYSA-N 0 1 342.468 2.504 10 30 EFEEMN C[C@@H](CNC(=O)/C=C\c1ccc[nH]1)NCC#Cc1ccc(Cl)cc1 ZINC001266934149 1102728629 /nfs/dbraw/zinc/72/86/29/1102728629.db2.gz SSAHEVUPPCHNOX-WOLCWHLNSA-N 0 1 341.842 2.827 10 30 EFEEMN CC(C)[C@]1(C)C[C@H]1C(=O)N(C)CCNCC#Cc1ccc(F)cc1 ZINC001266936738 1102732022 /nfs/dbraw/zinc/73/20/22/1102732022.db2.gz ZKZKNNROLUWIJG-ICSRJNTNSA-N 0 1 330.447 2.907 10 30 EFEEMN C#CCO[C@@H](C)C(=O)NC[C@H](C)NCc1c(Cl)oc2ccccc21 ZINC001266937753 1102732949 /nfs/dbraw/zinc/73/29/49/1102732949.db2.gz ONSJNIXORBCMAZ-STQMWFEESA-N 0 1 348.830 2.719 10 30 EFEEMN C=CC(C)(C)CC(=O)NC[C@H](C)NCC(=O)Nc1cccc(C)c1 ZINC001266943556 1102742465 /nfs/dbraw/zinc/74/24/65/1102742465.db2.gz QZHWXWGKEUJEIV-HNNXBMFYSA-N 0 1 331.460 2.630 10 30 EFEEMN C=CC(C)(C)C(=O)N[C@@H](CNCc1cc(C#N)ccc1F)C1CC1 ZINC001670507002 1102749873 /nfs/dbraw/zinc/74/98/73/1102749873.db2.gz FCPVCZRHPLWSBC-KRWDZBQOSA-N 0 1 329.419 2.894 10 30 EFEEMN C=C/C(C)=C/CC(=O)N[C@@H](CNCC(=C)Br)C1CC1 ZINC001670507176 1102750061 /nfs/dbraw/zinc/75/00/61/1102750061.db2.gz IOSDPTASZWQKJJ-GJIAFCOMSA-N 0 1 327.266 2.902 10 30 EFEEMN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ncc(Cl)n1C ZINC001660433557 1102763219 /nfs/dbraw/zinc/76/32/19/1102763219.db2.gz UNUIDHMMZYWGCE-UONOGXRCSA-N 0 1 338.883 2.899 10 30 EFEEMN CC#CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cc(OC)no1 ZINC001660448253 1102773528 /nfs/dbraw/zinc/77/35/28/1102773528.db2.gz WZZOYEYYPGMXMH-DOTOQJQBSA-N 0 1 347.459 2.736 10 30 EFEEMN C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001266960150 1102787850 /nfs/dbraw/zinc/78/78/50/1102787850.db2.gz DKIYYSYUMDUREC-CHWSQXEVSA-N 0 1 334.464 2.677 10 30 EFEEMN CCC[C@H](OC)C(=O)NC[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001266961405 1102791055 /nfs/dbraw/zinc/79/10/55/1102791055.db2.gz SGEAKKALTJYOMU-YOEHRIQHSA-N 0 1 336.863 2.601 10 30 EFEEMN C[C@@H](CNC(=O)[C@H]1CCCc2cccnc21)NCC#Cc1ccccc1 ZINC001266965443 1102802065 /nfs/dbraw/zinc/80/20/65/1102802065.db2.gz UNKFGQNXPPDRKP-PXNSSMCTSA-N 0 1 347.462 2.648 10 30 EFEEMN CCN(CCCNC(=O)c1[nH]ccc1C)Cc1ccc(C#N)cc1F ZINC001660520704 1102814963 /nfs/dbraw/zinc/81/49/63/1102814963.db2.gz UESYSLSGVOQDKC-UHFFFAOYSA-N 0 1 342.418 2.976 10 30 EFEEMN CCC[N@H+](CC#CCOC)CCNC(=O)c1cc(Cl)ccc1C ZINC001266575333 1102822704 /nfs/dbraw/zinc/82/27/04/1102822704.db2.gz LOFIVSYEMYVNAE-UHFFFAOYSA-N 0 1 336.863 2.740 10 30 EFEEMN CCCN(CC#CCOC)CCNC(=O)c1cc(Cl)ccc1C ZINC001266575333 1102822724 /nfs/dbraw/zinc/82/27/24/1102822724.db2.gz LOFIVSYEMYVNAE-UHFFFAOYSA-N 0 1 336.863 2.740 10 30 EFEEMN CC#CCN1CCC(N(Cc2ccccn2)C(=O)[C@H](C)C2CC2)CC1 ZINC001271826937 1102838364 /nfs/dbraw/zinc/83/83/64/1102838364.db2.gz MWTGEDCXVMSNRL-QGZVFWFLSA-N 0 1 339.483 2.944 10 30 EFEEMN C=C(Cl)CN(CC)CCCNC(=O)c1ccc2c(c1)CCOC2 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C=CCCc1ccc(S(=O)(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC001462877588 1396456933 /nfs/dbraw/zinc/45/69/33/1396456933.db2.gz LFTYCDIZHNTJEK-INIZCTEOSA-N 0 1 336.501 2.958 10 30 EFEEMN CN(C)[C@@H](CNC(=O)C(=O)/C=C\c1ccc(F)cc1)c1ccccc1 ZINC001463695779 1396513328 /nfs/dbraw/zinc/51/33/28/1396513328.db2.gz IDVLBDCFSDUVGA-GFBZKKKVSA-N 0 1 340.398 2.827 10 30 EFEEMN C=C1CCC(CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)CC1 ZINC001464458473 1396577374 /nfs/dbraw/zinc/57/73/74/1396577374.db2.gz MOMDZCZCACYGJF-UHFFFAOYSA-N 0 1 347.820 2.744 10 30 EFEEMN C#CCCOc1ccc(C(=O)n2[nH]c(=O)c3ccc(OC)cc32)cc1 ZINC001468580998 1396968805 /nfs/dbraw/zinc/96/88/05/1396968805.db2.gz RWTNAZKFMSZXHA-UHFFFAOYSA-N 0 1 336.347 2.841 10 30 EFEEMN Cc1ncoc1CN[C@@H]1CCN(C(=O)CC#Cc2ccccc2)[C@H]1C ZINC001507296828 1406860843 /nfs/dbraw/zinc/86/08/43/1406860843.db2.gz KNYWTXATUFRMFK-FUHWJXTLSA-N 0 1 337.423 2.504 10 30 EFEEMN CN1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C[C@H]1C(C)(C)C ZINC001469617997 1397044736 /nfs/dbraw/zinc/04/47/36/1397044736.db2.gz 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EFEEMN C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN1CCn1nc(C)cc1C ZINC001479250286 1397641422 /nfs/dbraw/zinc/64/14/22/1397641422.db2.gz PHFNAFRZVUTNBV-QGZVFWFLSA-N 0 1 332.492 2.635 10 30 EFEEMN C=CCC1(C(=O)N(C)C[C@@H]2CCN2CCc2ccnn2C)CCCC1 ZINC001479273006 1397661784 /nfs/dbraw/zinc/66/17/84/1397661784.db2.gz CLLJRTFCKKEVER-SFHVURJKSA-N 0 1 344.503 2.632 10 30 EFEEMN C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001479323040 1397685311 /nfs/dbraw/zinc/68/53/11/1397685311.db2.gz XXDUSMCMCUYTFN-MELADBBJSA-N 0 1 333.480 2.515 10 30 EFEEMN C=CCC1(C(=O)NC[C@H]2C[C@H](N[C@H](C)c3nnc(C)[nH]3)C2)CCCC1 ZINC001479418803 1397721814 /nfs/dbraw/zinc/72/18/14/1397721814.db2.gz XJVNORKXJCXVJO-FVQBIDKESA-N 0 1 345.491 2.795 10 30 EFEEMN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)SC)C1 ZINC001479422199 1397723070 /nfs/dbraw/zinc/72/30/70/1397723070.db2.gz DIPRSNRIPVDSNC-RCCFBDPRSA-N 0 1 330.497 2.736 10 30 EFEEMN Cc1ccnc(CNCC[C@@H]2[C@@H](C)CCCN2C(=O)C#CC(C)C)n1 ZINC001479518659 1397746429 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ZINC001498208659 1401912324 /nfs/dbraw/zinc/91/23/24/1401912324.db2.gz LCCJZAQDONNKLP-INIZCTEOSA-N 0 1 343.471 2.856 10 30 EFEEMN COC1CCC(CC(=O)N[C@@H](C)CNCc2ccccc2C#N)CC1 ZINC001498208943 1401913494 /nfs/dbraw/zinc/91/34/94/1401913494.db2.gz WWYZHMXANINEIP-LYGPFTKASA-N 0 1 343.471 2.748 10 30 EFEEMN C[C@@H](CN(C)Cc1ccc(C#N)c(F)c1)NC(=O)Cc1cccs1 ZINC001498214072 1401916132 /nfs/dbraw/zinc/91/61/32/1401916132.db2.gz AHMVMWGLBXEGBG-ZDUSSCGKSA-N 0 1 345.443 2.938 10 30 EFEEMN C[C@@H](CN(C)Cc1ccc(Cl)s1)NC(=O)c1c[nH]c(C#N)c1 ZINC001498262912 1401957749 /nfs/dbraw/zinc/95/77/49/1401957749.db2.gz QWHNIIZZKLHQTJ-JTQLQIEISA-N 0 1 336.848 2.852 10 30 EFEEMN C=CCCOCCn1c(CC(C)C)nnc1N1CCN(CC)[C@H](C)C1 ZINC001507965784 1407227034 /nfs/dbraw/zinc/22/70/34/1407227034.db2.gz VCRKPMKGDWRHQB-QGZVFWFLSA-N 0 1 349.523 2.600 10 30 EFEEMN COc1ccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001498400931 1402073203 /nfs/dbraw/zinc/07/32/03/1402073203.db2.gz RUQMSJVCSJGFAK-JEBQAFNWSA-N 0 1 341.455 2.549 10 30 EFEEMN C=CCC1(C(=O)N[C@@H](C)CN(C)[C@@H]2CCCN(C)C2=O)CCCCC1 ZINC001498457374 1402118941 /nfs/dbraw/zinc/11/89/41/1402118941.db2.gz OKVFVBQVOMDYGK-DLBZAZTESA-N 0 1 349.519 2.570 10 30 EFEEMN CC#CCCCC(=O)N[C@H]1CCCC[C@H]1CNCc1nccc(C)n1 ZINC001498485742 1402139036 /nfs/dbraw/zinc/13/90/36/1402139036.db2.gz AZFRECLNBUKNBD-ROUUACIJSA-N 0 1 342.487 2.743 10 30 EFEEMN CN(CCCNCc1cc(-c2cccs2)on1)C(=O)C#CC1CC1 ZINC001498546681 1402169020 /nfs/dbraw/zinc/16/90/20/1402169020.db2.gz XNGMWJKSRMUGCI-UHFFFAOYSA-N 0 1 343.452 2.755 10 30 EFEEMN C=C[C@](C)(CC)C(=O)N(C)CCCNCc1ncnn1C(C)(C)C ZINC001498607314 1402198238 /nfs/dbraw/zinc/19/82/38/1402198238.db2.gz VCJPWRJQFDFRDJ-GOSISDBHSA-N 0 1 335.496 2.574 10 30 EFEEMN Cc1nc(CNCCCN(C)C(=O)CC#Cc2ccccc2)oc1C ZINC001498656174 1402230929 /nfs/dbraw/zinc/23/09/29/1402230929.db2.gz NHRPEDSUSNKGDF-UHFFFAOYSA-N 0 1 339.439 2.671 10 30 EFEEMN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1ccnc(OC)n1)C(C)(C)C ZINC001508015613 1407241200 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CC(C)(C)C#CC(=O)N[C@H](CNCc1cc(F)ccc1F)C1CC1 ZINC001498757639 1402271197 /nfs/dbraw/zinc/27/11/97/1402271197.db2.gz DBOPOIDRIDYRQC-QGZVFWFLSA-N 0 1 334.410 2.999 10 30 EFEEMN C=C(C)CCC(=O)N[C@H](CNCc1cc2n(n1)CCCC2)C1CC1 ZINC001498768995 1402277787 /nfs/dbraw/zinc/27/77/87/1402277787.db2.gz SSDAWIJQJOWITQ-GOSISDBHSA-N 0 1 330.476 2.560 10 30 EFEEMN C=C(Cl)CNC[C@@H](NC(=O)c1c(Cl)n[nH]c1C1CC1)C1CC1 ZINC001498769825 1402278636 /nfs/dbraw/zinc/27/86/36/1402278636.db2.gz KEDWCALLXWGEDI-LLVKDONJSA-N 0 1 343.258 2.791 10 30 EFEEMN CC1(CC(=O)N[C@H](CNCc2cc(F)ccc2C#N)C2CC2)CC1 ZINC001498797015 1402296201 /nfs/dbraw/zinc/29/62/01/1402296201.db2.gz YBWFSOLXUQWYLC-QGZVFWFLSA-N 0 1 329.419 2.872 10 30 EFEEMN C#Cc1ccc(C(=O)N[C@@H](CN[C@@H](C)c2cnc(C)cn2)C2CC2)cc1 ZINC001498798171 1402296940 /nfs/dbraw/zinc/29/69/40/1402296940.db2.gz ATMRLSSZJIDEPQ-YWZLYKJASA-N 0 1 348.450 2.626 10 30 EFEEMN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1nccn1C(F)F)C1CC1 ZINC001498800146 1402297412 /nfs/dbraw/zinc/29/74/12/1402297412.db2.gz VRQBRHKJRHQUTQ-CYBMUJFWSA-N 0 1 340.418 2.865 10 30 EFEEMN C=CCC1(C(=O)N[C@@H](CNCC(=C)Cl)C2CC2)CCOCC1 ZINC001498866167 1402344811 /nfs/dbraw/zinc/34/48/11/1402344811.db2.gz NBZKZHQWIMVAGH-HNNXBMFYSA-N 0 1 326.868 2.596 10 30 EFEEMN CC[C@@H]1CN(C(=O)C#CC(C)C)CC[C@H]1NCc1ncc(C2CC2)o1 ZINC001498886993 1402358852 /nfs/dbraw/zinc/35/88/52/1402358852.db2.gz XYSGVFSTAZSKGB-NVXWUHKLSA-N 0 1 343.471 2.928 10 30 EFEEMN C=C(C)CCC(=O)N1CC[C@@H](NCc2nccc(C)n2)[C@@H](CC)C1 ZINC001498888352 1402359617 /nfs/dbraw/zinc/35/96/17/1402359617.db2.gz DNHMWLKBOFXSNP-DLBZAZTESA-N 0 1 330.476 2.858 10 30 EFEEMN C#CCCCCCC(=O)N1CC[C@H](NCc2nc(C)no2)[C@@H](CC)C1 ZINC001498892846 1402364714 /nfs/dbraw/zinc/36/47/14/1402364714.db2.gz DRWFFXKITKCPJI-IRXDYDNUSA-N 0 1 346.475 2.678 10 30 EFEEMN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1C[C@@H](O)Cc1ccc(F)cc1 ZINC001499033200 1402435764 /nfs/dbraw/zinc/43/57/64/1402435764.db2.gz QZDMPNONPWUSBF-ROUUACIJSA-N 0 1 348.462 2.522 10 30 EFEEMN C[C@@H](C(=O)NCC1(NCC#Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC001499192574 1402515463 /nfs/dbraw/zinc/51/54/63/1402515463.db2.gz POSRABFRQAFPTI-CQSZACIVSA-N 0 1 330.859 2.976 10 30 EFEEMN N#Cc1ccc(C(=O)NCC2(NCc3ccc(Cl)cc3F)CC2)[nH]1 ZINC001499200492 1402518963 /nfs/dbraw/zinc/51/89/63/1402518963.db2.gz BYVKHJFZOGBKSZ-UHFFFAOYSA-N 0 1 346.793 2.731 10 30 EFEEMN C=C(Cl)CNC1(CNC(=O)c2ccc(F)c3ccncc23)CC1 ZINC001499324202 1402565451 /nfs/dbraw/zinc/56/54/51/1402565451.db2.gz FNTVAVJWYDHNRH-UHFFFAOYSA-N 0 1 333.794 2.978 10 30 EFEEMN CC#CCCCC(=O)NCC1(NCc2cc(F)ccc2OC)CC1 ZINC001499325586 1402566539 /nfs/dbraw/zinc/56/65/39/1402566539.db2.gz UPVXIWASLXPVSW-UHFFFAOYSA-N 0 1 332.419 2.766 10 30 EFEEMN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NC(=O)c1n[nH]c2ccccc21 ZINC001499339697 1402572216 /nfs/dbraw/zinc/57/22/16/1402572216.db2.gz JQXGWNQAGSFHRI-ORAYPTAESA-N 0 1 342.443 2.790 10 30 EFEEMN O=C(NCC1(NCC#Cc2ccccc2)CC1)C1Cc2ccccc2C1 ZINC001499357920 1402580084 /nfs/dbraw/zinc/58/00/84/1402580084.db2.gz CYEMXZXFLAEEKI-UHFFFAOYSA-N 0 1 344.458 2.692 10 30 EFEEMN C=CCC(C)(C)C(=O)NCC1(NCC(=O)N(C)C2CCCCC2)CC1 ZINC001499364901 1402583622 /nfs/dbraw/zinc/58/36/22/1402583622.db2.gz IBIPCLKIUHMPCB-UHFFFAOYSA-N 0 1 349.519 2.618 10 30 EFEEMN O=C(NCC1(NCC#Cc2ccc(Cl)cc2)CC1)c1nccs1 ZINC001499395924 1402594824 /nfs/dbraw/zinc/59/48/24/1402594824.db2.gz DALZRRDBKYKHKW-UHFFFAOYSA-N 0 1 345.855 2.700 10 30 EFEEMN C[C@@H]1CC[C@@H](CCC(=O)NCC2(NCc3ccc(C#N)s3)CC2)O1 ZINC001499456422 1402621950 /nfs/dbraw/zinc/62/19/50/1402621950.db2.gz SMWZYECOWUMPPL-KGLIPLIRSA-N 0 1 347.484 2.706 10 30 EFEEMN C#CCCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001499481441 1402636415 /nfs/dbraw/zinc/63/64/15/1402636415.db2.gz PBYMHAJYSPTHRU-HKUYNNGSSA-N 0 1 343.471 2.990 10 30 EFEEMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(COC)CCCCC1 ZINC001499506863 1402647381 /nfs/dbraw/zinc/64/73/81/1402647381.db2.gz QUKOAVIMCOUFBO-MSOLQXFVSA-N 0 1 332.488 2.672 10 30 EFEEMN C=CCCC(=O)N1CCC(N(Cc2ncc(C)cn2)CC2CC2)CC1 ZINC001499525849 1402661003 /nfs/dbraw/zinc/66/10/03/1402661003.db2.gz ILZMXRNVYBVPNO-UHFFFAOYSA-N 0 1 342.487 2.954 10 30 EFEEMN COCCN(Cc1ccccc1C#N)C1CCN(C(=O)C(C)C)CC1 ZINC001499535167 1402668453 /nfs/dbraw/zinc/66/84/53/1402668453.db2.gz XZGUNIIGLYTMKC-UHFFFAOYSA-N 0 1 343.471 2.654 10 30 EFEEMN C=CCCC[NH+]1CCC2(CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001499583012 1402699860 /nfs/dbraw/zinc/69/98/60/1402699860.db2.gz CRLAOONNONUGDI-UHFFFAOYSA-N 0 1 329.444 2.682 10 30 EFEEMN C=CCC(C)(C)C(=O)NC[C@](C)(NC(=O)c1[nH]nc(C)c1C)C1CC1 ZINC001499607800 1402714843 /nfs/dbraw/zinc/71/48/43/1402714843.db2.gz ZNNQMJYLHWSFOT-IBGZPJMESA-N 0 1 346.475 2.644 10 30 EFEEMN C=CCCCC(=O)N1CC[C@]2(CCN([C@H](C)C(=O)NCCCC)C2)C1 ZINC001499615096 1402720178 /nfs/dbraw/zinc/72/01/78/1402720178.db2.gz YZWZJRMOYMMPOP-XLIONFOSSA-N 0 1 349.519 2.572 10 30 EFEEMN C=CCCCN1CC(N(C)C(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001499689198 1402745395 /nfs/dbraw/zinc/74/53/95/1402745395.db2.gz DDBXFNRZAZQOKC-GOSISDBHSA-N 0 1 327.472 2.719 10 30 EFEEMN C=CCC[C@H](C)N1CC(N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001499715149 1402753773 /nfs/dbraw/zinc/75/37/73/1402753773.db2.gz NCFVMCCAAPRXSA-HNNXBMFYSA-N 0 1 328.456 2.661 10 30 EFEEMN C=C[C@@H](CC)CC(=O)NCCC1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001499760124 1402773202 /nfs/dbraw/zinc/77/32/02/1402773202.db2.gz NIFAKECVIVSPBG-HNNXBMFYSA-N 0 1 346.475 2.679 10 30 EFEEMN C=C[C@H](CC)CC(=O)NCCC1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001499760125 1402773217 /nfs/dbraw/zinc/77/32/17/1402773217.db2.gz NIFAKECVIVSPBG-OAHLLOKOSA-N 0 1 346.475 2.679 10 30 EFEEMN CC#CCCCC(=O)N1CC[C@@H](NCc2ncc(CC)o2)C[C@H]1C ZINC001499844812 1402813193 /nfs/dbraw/zinc/81/31/93/1402813193.db2.gz QQACNKJBSZHSBI-HZPDHXFCSA-N 0 1 331.460 2.900 10 30 EFEEMN C=CCC(C)(C)C(=O)N[C@@H](C)C1CCN(Cc2ccnn2C)CC1 ZINC001508081145 1407285832 /nfs/dbraw/zinc/28/58/32/1407285832.db2.gz LYYOEPXRBXKMKV-HNNXBMFYSA-N 0 1 332.492 2.739 10 30 EFEEMN CCC[C@@H](OC)C(=O)N1CCC[C@H]1CNCc1cc(C#N)ccc1F ZINC001499915916 1402851879 /nfs/dbraw/zinc/85/18/79/1402851879.db2.gz KJZMGPHYAQFQNA-FUHWJXTLSA-N 0 1 347.434 2.593 10 30 EFEEMN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)Nc1ccccc1F ZINC001499917028 1402852768 /nfs/dbraw/zinc/85/27/68/1402852768.db2.gz YTWPDCGZBWBHNF-AWEZNQCLSA-N 0 1 347.434 2.557 10 30 EFEEMN C[C@H](NC[C@@H]1CCCN1C(=O)CC#Cc1ccccc1)c1cnccn1 ZINC001499953638 1402868360 /nfs/dbraw/zinc/86/83/60/1402868360.db2.gz YYCCMFOJJXRIJY-HKUYNNGSSA-N 0 1 348.450 2.560 10 30 EFEEMN C#CCN[C@H]1CN(C(=O)C2(CCC)CCC2)CC[C@@H]1C(F)(F)F ZINC001508086859 1407291113 /nfs/dbraw/zinc/29/11/13/1407291113.db2.gz PRNKSTMZFJZYOV-KBPBESRZSA-N 0 1 330.394 2.959 10 30 EFEEMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)(NC(=O)/C(C)=C\C)CC1 ZINC001499977874 1402880049 /nfs/dbraw/zinc/88/00/49/1402880049.db2.gz LXDNMGIVFZUXIJ-KZRVJCNKSA-N 0 1 349.519 2.736 10 30 EFEEMN C=C(C)CCC(=O)NC1(C)CCN([C@H](C)C(=O)N[C@H](C)CC)CC1 ZINC001499986995 1402884238 /nfs/dbraw/zinc/88/42/38/1402884238.db2.gz VNLWKDXWNXXFCK-HZPDHXFCSA-N 0 1 337.508 2.617 10 30 EFEEMN 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/nfs/dbraw/zinc/62/19/48/1105621948.db2.gz HBHKIMZKBIDOCH-PLNGDYQASA-N 0 1 337.398 2.702 10 30 EFEEMN Cc1nc(C(C)C)oc1CN1CCC(C)(NC(=O)C#CC2CC2)CC1 ZINC001671412361 1105633835 /nfs/dbraw/zinc/63/38/35/1105633835.db2.gz OIYCIPCULRAIBV-UHFFFAOYSA-N 0 1 343.471 2.991 10 30 EFEEMN C#CCN1CCC(C)(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC001671419733 1105634714 /nfs/dbraw/zinc/63/47/14/1105634714.db2.gz SGSKBUGEYJUWLJ-WBVHZDCISA-N 0 1 328.456 2.940 10 30 EFEEMN C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(Cc2c(C)onc2CC)CC1 ZINC001671450474 1105638533 /nfs/dbraw/zinc/63/85/33/1105638533.db2.gz KAIGXOLYSWWUSD-RHSMWYFYSA-N 0 1 343.471 2.628 10 30 EFEEMN C#CCN(C(C)=O)C1CCN(CCOc2ccccc2Cl)CC1 ZINC001671448161 1105638609 /nfs/dbraw/zinc/63/86/09/1105638609.db2.gz SWWOTYUQABKAQJ-UHFFFAOYSA-N 0 1 334.847 2.665 10 30 EFEEMN C#CCN(C(=O)c1cncc(C)c1)C1CCN(Cc2ccccn2)CC1 ZINC001671465548 1105640970 /nfs/dbraw/zinc/64/09/70/1105640970.db2.gz YIFLKFYXPWARFG-UHFFFAOYSA-N 0 1 348.450 2.525 10 30 EFEEMN C#CCN(C(=O)CCCC(C)C)C1CCN(Cc2cnn(C)c2)CC1 ZINC001671497592 1105645454 /nfs/dbraw/zinc/64/54/54/1105645454.db2.gz UWBIVEIUKIIDLM-UHFFFAOYSA-N 0 1 344.503 2.673 10 30 EFEEMN C#CCN(C(=O)c1csc(C(C)C)n1)C1CCN(CC=C)CC1 ZINC001671500162 1105646247 /nfs/dbraw/zinc/64/62/47/1105646247.db2.gz QUIZWEHXNXWQFD-UHFFFAOYSA-N 0 1 331.485 2.992 10 30 EFEEMN C#CCN(C(=O)C[C@H](C)n1cccn1)C1CCN(C[C@@H](F)CC)CC1 ZINC001671499835 1105646521 /nfs/dbraw/zinc/64/65/21/1105646521.db2.gz KENLTMNWWNGVFZ-IRXDYDNUSA-N 0 1 348.466 2.509 10 30 EFEEMN C=CC(C)(C)CC(=O)N[C@@H](CNCc1cnns1)C1CCCC1 ZINC001671529965 1105652141 /nfs/dbraw/zinc/65/21/41/1105652141.db2.gz BIHOAVNDLVCIGD-HNNXBMFYSA-N 0 1 336.505 2.905 10 30 EFEEMN C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1c(C)noc1C ZINC001671577029 1105662873 /nfs/dbraw/zinc/66/28/73/1105662873.db2.gz DPNJYXJUPICYKX-SJORKVTESA-N 0 1 329.444 2.660 10 30 EFEEMN C#CCCCC(=O)N[C@]1(C)CCN(C[C@@H](O)c2ccccc2Cl)C1 ZINC001671638646 1105674451 /nfs/dbraw/zinc/67/44/51/1105674451.db2.gz 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C=CCCCC(=O)N1CC[C@@](C)(CNCc2nnc(C(C)C)[nH]2)C1 ZINC001671774292 1105699986 /nfs/dbraw/zinc/69/99/86/1105699986.db2.gz GPIZODVEZGSDKR-SFHVURJKSA-N 0 1 333.480 2.613 10 30 EFEEMN C=CC(C)(C)C(=O)N1CC[C@@](C)(CNCc2nn(C)cc2Cl)C1 ZINC001671769640 1105700154 /nfs/dbraw/zinc/70/01/54/1105700154.db2.gz WMQSJUNXAIDLCO-KRWDZBQOSA-N 0 1 338.883 2.614 10 30 EFEEMN C=C1CC(C)(C(=O)N2CC[C@](C)(CN[C@H](C)c3ncccn3)C2)C1 ZINC001671780491 1105701155 /nfs/dbraw/zinc/70/11/55/1105701155.db2.gz WAEFKNZMQHJABB-CRAIPNDOSA-N 0 1 328.460 2.722 10 30 EFEEMN C=C1CC(C)(C(=O)N2CC[C@](C)(CN[C@@H](C)c3nc(C)no3)C2)C1 ZINC001671779608 1105701231 /nfs/dbraw/zinc/70/12/31/1105701231.db2.gz KHOKVTCMWQMGKT-SUMWQHHRSA-N 0 1 332.448 2.624 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CC[C@@](C)(CNCc2nccc(C)n2)C1 ZINC001671790239 1105702840 /nfs/dbraw/zinc/70/28/40/1105702840.db2.gz OCBSNAXQSHPVFI-IBGZPJMESA-N 0 1 330.476 2.716 10 30 EFEEMN C=CCCCC(=O)NCC1(C)CCN(Cc2cc(C)ncn2)CC1 ZINC001671849294 1105713896 /nfs/dbraw/zinc/71/38/96/1105713896.db2.gz OARXOFLEAVSSDW-UHFFFAOYSA-N 0 1 330.476 2.860 10 30 EFEEMN C#CCCCC(=O)NC[C@@]1(C)CCCN(Cc2cccnc2OC)C1 ZINC001671882912 1105720330 /nfs/dbraw/zinc/72/03/30/1105720330.db2.gz SHKVUSVBYXAALM-HXUWFJFHSA-N 0 1 343.471 2.612 10 30 EFEEMN C#CCN1CCC[C@@](C)(CNC(=O)c2sc(Cl)nc2C)C1 ZINC001671887015 1105722081 /nfs/dbraw/zinc/72/20/81/1105722081.db2.gz GHIMCFKFVDVKCV-HNNXBMFYSA-N 0 1 325.865 2.570 10 30 EFEEMN CC#CCCCC(=O)NC[C@@]1(C)CCCN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001671900428 1105724891 /nfs/dbraw/zinc/72/48/91/1105724891.db2.gz ABRXZRBEVBTGGT-DNVCBOLYSA-N 0 1 345.491 2.586 10 30 EFEEMN CC#CCCCC(=O)NC[C@]1(C)CCCN([C@H](C)c2cnccn2)C1 ZINC001671900453 1105725493 /nfs/dbraw/zinc/72/54/93/1105725493.db2.gz ASTKOHSXMLNRCT-XLIONFOSSA-N 0 1 342.487 2.950 10 30 EFEEMN COCC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001671908029 1105727904 /nfs/dbraw/zinc/72/79/04/1105727904.db2.gz OCMBKYUBWICLIG-QFBILLFUSA-N 0 1 348.512 2.720 10 30 EFEEMN CC[C@@H](CC(C)C)C(=O)NC[C@@]1(C)CCCN(CC#CCOC)C1 ZINC001671912665 1105728438 /nfs/dbraw/zinc/72/84/38/1105728438.db2.gz QMFQDEONFKJFPS-AZUAARDMSA-N 0 1 336.520 2.927 10 30 EFEEMN CC[C@@H](CC(C)C)C(=O)NC[C@]1(C)CCCN(CC#CCOC)C1 ZINC001671912666 1105728522 /nfs/dbraw/zinc/72/85/22/1105728522.db2.gz QMFQDEONFKJFPS-ICSRJNTNSA-N 0 1 336.520 2.927 10 30 EFEEMN C=C(C)CCC(=O)NCC1(NCc2ccn(C(C)C)n2)CCOCC1 ZINC001671934903 1105734524 /nfs/dbraw/zinc/73/45/24/1105734524.db2.gz NRJRNKPJUIHLEJ-UHFFFAOYSA-N 0 1 348.491 2.575 10 30 EFEEMN C=CCC(C)(C)C(=O)NCC1(NCc2nccs2)CCOCC1 ZINC001671949454 1105734984 /nfs/dbraw/zinc/73/49/84/1105734984.db2.gz VKFNASRDIUFQNL-UHFFFAOYSA-N 0 1 337.489 2.500 10 30 EFEEMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)Cc2ccsc2)C1 ZINC001671963251 1105737915 /nfs/dbraw/zinc/73/79/15/1105737915.db2.gz WCTZNGLXDKHQNH-AWEZNQCLSA-N 0 1 328.428 2.940 10 30 EFEEMN C=CCC(CC=C)C(=O)NC[C@@]1(O)CCN(Cc2ccsc2)C1 ZINC001671998744 1105745581 /nfs/dbraw/zinc/74/55/81/1105745581.db2.gz NXWPXZWAADFHPE-SFHVURJKSA-N 0 1 334.485 2.570 10 30 EFEEMN C=CCC[C@@H](C)N1CC(O)(CNC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001672124806 1105758785 /nfs/dbraw/zinc/75/87/85/1105758785.db2.gz BMTVRHKKOHKPRX-IAGOWNOFSA-N 0 1 344.499 2.870 10 30 EFEEMN C=CCC[C@@H](C)N1CC(O)(CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001672138018 1105759549 /nfs/dbraw/zinc/75/95/49/1105759549.db2.gz RPOGSMNODOYLLD-QGZVFWFLSA-N 0 1 330.472 2.743 10 30 EFEEMN C=CCC[C@H](C)N1CC(O)(CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001672146946 1105759608 /nfs/dbraw/zinc/75/96/08/1105759608.db2.gz LCBPETVGLQDUDA-CVEARBPZSA-N 0 1 348.462 2.522 10 30 EFEEMN C=CCC[C@H](C)N1CC(O)(CNC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001672142563 1105760036 /nfs/dbraw/zinc/76/00/36/1105760036.db2.gz LZZMAKBAGDSSTO-YJBOKZPZSA-N 0 1 348.462 2.837 10 30 EFEEMN CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccns1)C2 ZINC001672155239 1105761709 /nfs/dbraw/zinc/76/17/09/1105761709.db2.gz GXFSWTBLVIVQGH-ZNMIVQPWSA-N 0 1 331.485 2.662 10 30 EFEEMN CC#CCN[C@H](CNC(=O)C[C@H]1CCCCO1)c1ccccc1CC ZINC001672176754 1105766569 /nfs/dbraw/zinc/76/65/69/1105766569.db2.gz NAHDQOGPJPGBOO-UYAOXDASSA-N 0 1 342.483 2.978 10 30 EFEEMN C#CCN[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)c1ccccc1CC ZINC001672177213 1105767722 /nfs/dbraw/zinc/76/77/22/1105767722.db2.gz TZMSJOAESGOKHC-SBHAEUEKSA-N 0 1 340.467 2.588 10 30 EFEEMN C#CCN[C@@H](CNC(=O)c1ccn(C(C)C)n1)c1ccccc1CC ZINC001672182626 1105768366 /nfs/dbraw/zinc/76/83/66/1105768366.db2.gz IEKWMAMNMPARKA-IBGZPJMESA-N 0 1 338.455 2.720 10 30 EFEEMN C#CCCCCCC(=O)N1CC[C@@H]([C@@H](C)NCc2ncc(C)o2)C1 ZINC001672222271 1105779238 /nfs/dbraw/zinc/77/92/38/1105779238.db2.gz SCYGQKQRIXCEEJ-IAGOWNOFSA-N 0 1 331.460 2.893 10 30 EFEEMN C=CCC1(C(=O)N2CC[C@H]([C@H](C)NCc3cnon3)C2)CCCCC1 ZINC001672247093 1105784926 /nfs/dbraw/zinc/78/49/26/1105784926.db2.gz QWJVSSABLQCIIU-HOTGVXAUSA-N 0 1 346.475 2.923 10 30 EFEEMN C=CCC1(C(=O)N2CC[C@@H]([C@H](C)NCc3cnon3)C2)CCCCC1 ZINC001672247095 1105785158 /nfs/dbraw/zinc/78/51/58/1105785158.db2.gz QWJVSSABLQCIIU-JKSUJKDBSA-N 0 1 346.475 2.923 10 30 EFEEMN C#CCCCC(=O)N1C[C@H](C)[C@H](CNCc2ncc(Cl)s2)C1 ZINC001672274655 1105789570 /nfs/dbraw/zinc/78/95/70/1105789570.db2.gz PEPNFSSUKPNYSZ-QWHCGFSZSA-N 0 1 339.892 2.784 10 30 EFEEMN C#CCCCCC(=O)N1C[C@H](C)[C@@H](CNCc2nnc(C(C)C)o2)C1 ZINC001672274419 1105789840 /nfs/dbraw/zinc/78/98/40/1105789840.db2.gz MANWEHASNNLPGI-HOTGVXAUSA-N 0 1 346.475 2.571 10 30 EFEEMN CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNCc2ncc(Cl)s2)C1 ZINC001672274193 1105789993 /nfs/dbraw/zinc/78/99/93/1105789993.db2.gz IWGURBYBFGLELO-QWHCGFSZSA-N 0 1 339.892 2.640 10 30 EFEEMN CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNCc2nc(C(C)C)ns2)C1 ZINC001672274347 1105790167 /nfs/dbraw/zinc/79/01/67/1105790167.db2.gz KVWBEHPAHVEAAS-LSDHHAIUSA-N 0 1 348.516 2.505 10 30 EFEEMN CC#CCCCC(=O)N1C[C@@H](C)[C@@H](CNCc2nc(C)oc2C)C1 ZINC001672305107 1105796742 /nfs/dbraw/zinc/79/67/42/1105796742.db2.gz BLSCVJWFRRBWQD-PBHICJAKSA-N 0 1 331.460 2.669 10 30 EFEEMN C=CCC1(C(=O)NC[C@H]2CC[C@H](CNCc3cnon3)CC2)CCC1 ZINC001672377066 1105817354 /nfs/dbraw/zinc/81/73/54/1105817354.db2.gz PHBHKBQVKSLXAM-WKILWMFISA-N 0 1 346.475 2.828 10 30 EFEEMN CC(C)(C)C#CC(=O)N1C[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001672416964 1105827490 /nfs/dbraw/zinc/82/74/90/1105827490.db2.gz VLDYBYWOTPAHAC-IYBDPMFKSA-N 0 1 346.421 2.905 10 30 EFEEMN C=C(C)CN1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001672498683 1105845358 /nfs/dbraw/zinc/84/53/58/1105845358.db2.gz ABVRBZVHUWQOMH-ZVDOUQERSA-N 0 1 342.483 2.618 10 30 EFEEMN C=CCN1CCC[C@@](CO)(NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001672500423 1105847097 /nfs/dbraw/zinc/84/70/97/1105847097.db2.gz RUXIZMUPXBPOOU-BLLLJJGKSA-N 0 1 342.892 2.634 10 30 EFEEMN C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1cccc(OC)n1 ZINC001672510268 1105849648 /nfs/dbraw/zinc/84/96/48/1105849648.db2.gz VAMICGKKCUWMFF-SJORKVTESA-N 0 1 329.444 2.622 10 30 EFEEMN C#CCCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cnc(C)o1 ZINC001672514241 1105851110 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CO[C@H](C)CCC(=O)N(C)C1CC(NCc2cc(F)ccc2C#N)C1 ZINC001411232466 1272087513 /nfs/dbraw/zinc/08/75/13/1272087513.db2.gz GGGTZHYNNIUHPX-NLNFPOJYSA-N 0 1 347.434 2.591 10 30 EFEEMN CCOc1cccc(Cl)c1CNC1CC(N(C)C(=O)[C@H](C)C#N)C1 ZINC001411233114 1272088262 /nfs/dbraw/zinc/08/82/62/1272088262.db2.gz HGSGUFUAIHXZTL-IYXRBSQSSA-N 0 1 349.862 2.977 10 30 EFEEMN C[C@H](C#N)C(=O)NC1(C2CCN(Cc3cc(F)ccc3F)CC2)CC1 ZINC001411252114 1272145335 /nfs/dbraw/zinc/14/53/35/1272145335.db2.gz FCGCRBAWDGVPBQ-CYBMUJFWSA-N 0 1 347.409 2.985 10 30 EFEEMN N#Cc1ccccc1-c1ccc(CN2CCn3c(=O)[nH]nc3C2)cc1 ZINC001168957579 1272554881 /nfs/dbraw/zinc/55/48/81/1272554881.db2.gz FQGZOXLMOYLUGQ-UHFFFAOYSA-N 0 1 331.379 2.538 10 30 EFEEMN C=CCC(CC=C)C(=O)N1CCN[C@@H](Cc2cccc(OC)c2)C1 ZINC001169251838 1272775710 /nfs/dbraw/zinc/77/57/10/1272775710.db2.gz QDFYGLMSDGFEGX-SFHVURJKSA-N 0 1 328.456 2.807 10 30 EFEEMN O=C(NCC1(NCC#Cc2ccccc2)CCC1)[C@@H]1CC[C@H](F)C1 ZINC001273140535 1273061738 /nfs/dbraw/zinc/06/17/38/1273061738.db2.gz 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GVQKGNOMHGYWFA-UHFFFAOYSA-N 0 1 342.468 2.906 10 30 EFEEMN C#CCN1CC=C(CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC001284976682 1320626350 /nfs/dbraw/zinc/62/63/50/1320626350.db2.gz MMGKFLJXFIUETJ-UHFFFAOYSA-N 0 1 326.484 2.974 10 30 EFEEMN COCC#CCNCc1ccc(CNC(=O)C[C@@H]2C=CCC2)c(F)c1 ZINC001284994318 1320639455 /nfs/dbraw/zinc/63/94/55/1320639455.db2.gz PYOMZNPOKOYDQM-MRXNPFEDSA-N 0 1 344.430 2.538 10 30 EFEEMN C#Cc1ccc(C(=O)N(C)[C@H](C)CNCc2oc(CC)nc2C)cc1 ZINC001319509511 1328905063 /nfs/dbraw/zinc/90/50/63/1328905063.db2.gz GULVQSRNJOFIET-CQSZACIVSA-N 0 1 339.439 2.777 10 30 EFEEMN C=C[C@H](CC)CC(=O)N[C@H](CC)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001285072300 1320679072 /nfs/dbraw/zinc/67/90/72/1320679072.db2.gz FIBTYYKZOACTJZ-ZIAGYGMSSA-N 0 1 346.475 2.515 10 30 EFEEMN CC#CCCCC(=O)N(C)[C@H](C)CNCc1nc2ccccc2n1C ZINC001319513523 1328906972 /nfs/dbraw/zinc/90/69/72/1328906972.db2.gz BBPQFYQMMSIOKL-MRXNPFEDSA-N 0 1 340.471 2.703 10 30 EFEEMN C=C[C@@](C)(CC)C(=O)NC1(CNC(=O)[C@H]2CCCCN2C)CCCC1 ZINC001285243575 1320782768 /nfs/dbraw/zinc/78/27/68/1320782768.db2.gz GUYXKZTVGQKTCO-APWZRJJASA-N 0 1 349.519 2.618 10 30 EFEEMN C=CCC1(C(=O)NCC[C@@H]2CCCCN2C(=O)c2ccn[nH]2)CCC1 ZINC001285271598 1320800752 /nfs/dbraw/zinc/80/07/52/1320800752.db2.gz DPONGJZXDGJOBB-HNNXBMFYSA-N 0 1 344.459 2.657 10 30 EFEEMN C=CCCC(=O)N1CCCC[C@@H]1CCNC(=O)CN1CCC(C)CC1 ZINC001285272190 1320801697 /nfs/dbraw/zinc/80/16/97/1320801697.db2.gz IPIHMFPYSLVBGA-GOSISDBHSA-N 0 1 349.519 2.572 10 30 EFEEMN C=C1CC(C)(C(=O)NC/C=C/CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001285614038 1321005726 /nfs/dbraw/zinc/00/57/26/1321005726.db2.gz KJDBLMQFWKKMOC-VOTSOKGWSA-N 0 1 344.459 2.600 10 30 EFEEMN C=C(C)CCC(=O)N(C)[C@@H](C)CNC(=O)c1ccc2cncn2c1C ZINC001285736772 1321060761 /nfs/dbraw/zinc/06/07/61/1321060761.db2.gz WRGDYUAKDOLXLD-AWEZNQCLSA-N 0 1 342.443 2.576 10 30 EFEEMN C=C1CCC(C(=O)NC[C@H](C)NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001285781739 1321079162 /nfs/dbraw/zinc/07/91/62/1321079162.db2.gz OHSHVLVLXPNBSP-ZDUSSCGKSA-N 0 1 340.427 2.544 10 30 EFEEMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)/C=C/c2ccco2)C1 ZINC001316641818 1321122462 /nfs/dbraw/zinc/12/24/62/1321122462.db2.gz ONXNRGVPVQSOGB-ONNIGLJISA-N 0 1 334.419 2.900 10 30 EFEEMN C=CCCC(=O)NCCN(C(=O)Cc1c[nH]cn1)C1CCCCCC1 ZINC001285977459 1321163506 /nfs/dbraw/zinc/16/35/06/1321163506.db2.gz HCMYLFWWMCGRQL-UHFFFAOYSA-N 0 1 346.475 2.586 10 30 EFEEMN C=C(C)CCC(=O)NC[C@@H](NC(=O)c1[nH]nc(C)c1C)C1CCCC1 ZINC001286059711 1321211514 /nfs/dbraw/zinc/21/15/14/1321211514.db2.gz NONJLMCPEKGNHR-MRXNPFEDSA-N 0 1 346.475 2.788 10 30 EFEEMN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001286211090 1321303049 /nfs/dbraw/zinc/30/30/49/1321303049.db2.gz ADCAGLOUBZFSMZ-ORAYPTAESA-N 0 1 346.475 2.712 10 30 EFEEMN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001286211091 1321303341 /nfs/dbraw/zinc/30/33/41/1321303341.db2.gz ADCAGLOUBZFSMZ-YJYMSZOUSA-N 0 1 346.475 2.712 10 30 EFEEMN C=C[C@](C)(CC)C(=O)N[C@H](C)C1CN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001286211088 1321303380 /nfs/dbraw/zinc/30/33/80/1321303380.db2.gz ADCAGLOUBZFSMZ-BFUOFWGJSA-N 0 1 346.475 2.712 10 30 EFEEMN C#CCCCn1c(C)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC001286337758 1321345722 /nfs/dbraw/zinc/34/57/22/1321345722.db2.gz TZQQBXXRRFKBCV-UHFFFAOYSA-N 0 1 337.471 2.631 10 30 EFEEMN C=C(C)CCC(=O)N[C@H]1C[C@H](CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001286443872 1321362360 /nfs/dbraw/zinc/36/23/60/1321362360.db2.gz HTDVNPCYHSFWEJ-SHTZXODSSA-N 0 1 346.475 2.822 10 30 EFEEMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001287394970 1321463782 /nfs/dbraw/zinc/46/37/82/1321463782.db2.gz MITUNBVBVMUMSI-UHFFFAOYSA-N 0 1 337.295 2.604 10 30 EFEEMN C=CCC1(C(=O)N2CC[C@H](NCc3ncccn3)[C@H](C)C2)CCCC1 ZINC001319710027 1328958730 /nfs/dbraw/zinc/95/87/30/1328958730.db2.gz KMJCUAKWYQMQRY-SJORKVTESA-N 0 1 342.487 2.940 10 30 EFEEMN C=C(C)C[C@@H](C)C(=O)NC[C@H](NC(=O)c1[nH]nc(C)c1C)C(C)(C)C ZINC001288200063 1321613296 /nfs/dbraw/zinc/61/32/96/1321613296.db2.gz HXNUMPMOPWBJCH-DOMZBBRYSA-N 0 1 348.491 2.890 10 30 EFEEMN C=CCCC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001288263552 1321628943 /nfs/dbraw/zinc/62/89/43/1321628943.db2.gz HRMGKYFNOMDSSV-AEFFLSMTSA-N 0 1 349.519 2.570 10 30 EFEEMN C=CCCC(=O)N1CCC([C@@H](C)NC(=O)[C@H]2CCCCN2CC)CC1 ZINC001288263553 1321629090 /nfs/dbraw/zinc/62/90/90/1321629090.db2.gz HRMGKYFNOMDSSV-SJLPKXTDSA-N 0 1 349.519 2.570 10 30 EFEEMN C=CCCC(=O)N1CCCC[C@@H]1CCNCc1nnc(C(C)(C)C)[nH]1 ZINC001319739711 1328970899 /nfs/dbraw/zinc/97/08/99/1328970899.db2.gz JDEMPUFAQKRCKV-OAHLLOKOSA-N 0 1 347.507 2.929 10 30 EFEEMN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)CC[C@@H]1C ZINC001288485389 1321687999 /nfs/dbraw/zinc/68/79/99/1321687999.db2.gz GIVOCPNSCBLSEP-DZGCQCFKSA-N 0 1 346.475 2.535 10 30 EFEEMN C=C1CCC(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)CC1 ZINC001288532828 1321704725 /nfs/dbraw/zinc/70/47/25/1321704725.db2.gz AVGUQGUFHGJMFN-CVEARBPZSA-N 0 1 349.519 2.617 10 30 EFEEMN C=C1CCC(C(=O)N[C@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)CC1 ZINC001288532832 1321704790 /nfs/dbraw/zinc/70/47/90/1321704790.db2.gz AVGUQGUFHGJMFN-HZPDHXFCSA-N 0 1 349.519 2.617 10 30 EFEEMN C=CC(C)(C)CC(=O)NCCC1(CNC(=O)c2[nH]nc(C)c2C)CC1 ZINC001288772122 1321757402 /nfs/dbraw/zinc/75/74/02/1321757402.db2.gz SGSFECUGYWXOKY-UHFFFAOYSA-N 0 1 346.475 2.645 10 30 EFEEMN C#CCCCC(=O)NC[C@H]1CC[C@@H](NCc2coc(C3CC3)n2)C1 ZINC001316648261 1321856388 /nfs/dbraw/zinc/85/63/88/1321856388.db2.gz HABGSVWFZCZHFF-GOEBONIOSA-N 0 1 329.444 2.730 10 30 EFEEMN C=C[C@H](CC)CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC001290010031 1321861111 /nfs/dbraw/zinc/86/11/11/1321861111.db2.gz CJICHPYJQIQRSZ-UKRRQHHQSA-N 0 1 344.459 2.562 10 30 EFEEMN C=C(C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001290043704 1321869429 /nfs/dbraw/zinc/86/94/29/1321869429.db2.gz YNAPJIUPDKEEJF-OKILXGFUSA-N 0 1 340.427 2.544 10 30 EFEEMN C=CC(C)(C)C(=O)NCC[C@H]1[C@H](C)CCCN1C(=O)c1cnc(C)[nH]1 ZINC001290239222 1321887699 /nfs/dbraw/zinc/88/76/99/1321887699.db2.gz DADABALPZOPVAY-CJNGLKHVSA-N 0 1 346.475 2.677 10 30 EFEEMN C=CCCCC(=O)NCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C)[nH]n1 ZINC001290239408 1321887819 /nfs/dbraw/zinc/88/78/19/1321887819.db2.gz FYYBFBLYINRMIM-YOEHRIQHSA-N 0 1 346.475 2.821 10 30 EFEEMN C=C1CC(C)(C(=O)NCCCCCCN(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001290377254 1321906316 /nfs/dbraw/zinc/90/63/16/1321906316.db2.gz NATWOUAYRNEBDU-KRWDZBQOSA-N 0 1 349.519 2.572 10 30 EFEEMN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(CCC)[nH]n2)[C@@H]1CC ZINC001290430531 1321913358 /nfs/dbraw/zinc/91/33/58/1321913358.db2.gz CWOZZUQKNJJTDQ-DOTOQJQBSA-N 0 1 346.475 2.828 10 30 EFEEMN C=C(C)C(C)(C)C(=O)N[C@H]1CCCCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001290557319 1321924431 /nfs/dbraw/zinc/92/44/31/1321924431.db2.gz FDXQBARWWGVPJS-HNNXBMFYSA-N 0 1 346.475 2.821 10 30 EFEEMN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001290559761 1321926705 /nfs/dbraw/zinc/92/67/05/1321926705.db2.gz SHOSWQWLKPQUFT-ZBFHGGJFSA-N 0 1 346.475 2.821 10 30 EFEEMN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001290559760 1321926893 /nfs/dbraw/zinc/92/68/93/1321926893.db2.gz SHOSWQWLKPQUFT-HOCLYGCPSA-N 0 1 346.475 2.821 10 30 EFEEMN C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001290745260 1321950656 /nfs/dbraw/zinc/95/06/56/1321950656.db2.gz BMRUDAHLHOWESZ-ROUUACIJSA-N 0 1 349.519 2.524 10 30 EFEEMN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccn[nH]2)CC(C)(C)C1 ZINC001290755329 1321954933 /nfs/dbraw/zinc/95/49/33/1321954933.db2.gz RMHLQQKRWCAIEE-CQSZACIVSA-N 0 1 332.448 2.513 10 30 EFEEMN C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)NCc2ncnn2CCC)C1 ZINC001319812984 1329000219 /nfs/dbraw/zinc/00/02/19/1329000219.db2.gz ZWLWNSHDKRDHEB-IAGOWNOFSA-N 0 1 347.507 2.761 10 30 EFEEMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ncccc2OCCCC#N)C1 ZINC001292621392 1322095255 /nfs/dbraw/zinc/09/52/55/1322095255.db2.gz OXSGNSQBVRIHIG-JSGCOSHPSA-N 0 1 339.399 2.792 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CCC[C@H]([C@H](C)NCc2csnn2)C1 ZINC001319821115 1329003408 /nfs/dbraw/zinc/00/34/08/1329003408.db2.gz QFFGJUASRATZHA-KBPBESRZSA-N 0 1 336.505 2.857 10 30 EFEEMN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccnc(OC)n1 ZINC001319848062 1329012707 /nfs/dbraw/zinc/01/27/07/1329012707.db2.gz KIVKPSMEWQDHMF-WBVHZDCISA-N 0 1 346.475 2.558 10 30 EFEEMN C#CCCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1csnc1OC ZINC001319845083 1329011464 /nfs/dbraw/zinc/01/14/64/1329011464.db2.gz QFHOOIMMFQVPDT-GOEBONIOSA-N 0 1 349.500 2.672 10 30 EFEEMN C#CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ncc(C)s1 ZINC001319844034 1329011588 /nfs/dbraw/zinc/01/15/88/1329011588.db2.gz KDKSKURGTJSEQN-GDBMZVCRSA-N 0 1 333.501 2.972 10 30 EFEEMN C=CC[C@@H](NC(=O)c1ncc(Br)cc1O)c1ccncc1 ZINC001293576876 1322290108 /nfs/dbraw/zinc/29/01/08/1322290108.db2.gz IMUWNSIJPYJSMO-GFCCVEGCSA-N 0 1 348.200 2.992 10 30 EFEEMN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(CCC)[nH]n2)C1 ZINC001293685784 1322321665 /nfs/dbraw/zinc/32/16/65/1322321665.db2.gz OUJLRSGUGLCYQN-GOEBONIOSA-N 0 1 346.475 2.637 10 30 EFEEMN C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001293692558 1322324509 /nfs/dbraw/zinc/32/45/09/1322324509.db2.gz HEDDHZNNYALHQI-GOEBONIOSA-N 0 1 346.475 2.637 10 30 EFEEMN C=C(CCC(=O)OC)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC001294244238 1322437935 /nfs/dbraw/zinc/43/79/35/1322437935.db2.gz YVTFGPZKTUGNRM-HNNXBMFYSA-N 0 1 338.835 2.568 10 30 EFEEMN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)c1cnc(C)[nH]1 ZINC001294358179 1322460374 /nfs/dbraw/zinc/46/03/74/1322460374.db2.gz FBMLRDPZAMZGTD-XJKSGUPXSA-N 0 1 346.475 2.820 10 30 EFEEMN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001294947551 1322606264 /nfs/dbraw/zinc/60/62/64/1322606264.db2.gz DJKYISWRRFSXCB-HNNXBMFYSA-N 0 1 346.475 2.631 10 30 EFEEMN C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]n1 ZINC001295150095 1322642663 /nfs/dbraw/zinc/64/26/63/1322642663.db2.gz JAIRIWCPTFXFMJ-GOOCMWNKSA-N 0 1 344.459 2.572 10 30 EFEEMN C=C(C)CCC(=O)N[C@H]1C[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001295209695 1322653278 /nfs/dbraw/zinc/65/32/78/1322653278.db2.gz ACAMURRXDZTLKC-GASCZTMLSA-N 0 1 349.500 2.543 10 30 EFEEMN C=C1CC(C)(C(=O)NC[C@H](NCc2cc3n(n2)CCCC3)C(C)C)C1 ZINC001319944101 1329041465 /nfs/dbraw/zinc/04/14/65/1329041465.db2.gz NXMGDEHKZKQART-SFHVURJKSA-N 0 1 344.503 2.806 10 30 EFEEMN C=C(C)CCC(=O)N1CCCC[C@H]1[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC001295295778 1322672349 /nfs/dbraw/zinc/67/23/49/1322672349.db2.gz LBUNPYNRQIXYAI-DLBZAZTESA-N 0 1 344.459 2.752 10 30 EFEEMN N#Cc1ccc(O)c(NC(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC001295829235 1322789034 /nfs/dbraw/zinc/78/90/34/1322789034.db2.gz ZAFCRBUKYNKGGT-UHFFFAOYSA-N 0 1 343.726 2.500 10 30 EFEEMN C=CC(C)(C)C(=O)NCCC[C@H]1CCCN1C(=O)c1cc(CC)[nH]n1 ZINC001295970146 1322829419 /nfs/dbraw/zinc/82/94/19/1322829419.db2.gz NRVDHFVCJUGAMD-HNNXBMFYSA-N 0 1 346.475 2.685 10 30 EFEEMN C#CCN1CCC[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001307206678 1322846105 /nfs/dbraw/zinc/84/61/05/1322846105.db2.gz RNWNKUXSHBGPQZ-LLVKDONJSA-N 0 1 345.790 2.701 10 30 EFEEMN C#CCO[C@H](C)C(=O)N(C)CCN(C)Cc1cccc(C(F)F)c1 ZINC001319999869 1329054093 /nfs/dbraw/zinc/05/40/93/1329054093.db2.gz NACZFUJTJOXTIF-CQSZACIVSA-N 0 1 338.398 2.553 10 30 EFEEMN C=C[C@H](C)[C@@H](C)C(=O)N(C)CCNC(=O)c1cccc2nc(C)[nH]c21 ZINC001296238310 1322871917 /nfs/dbraw/zinc/87/19/17/1322871917.db2.gz VKNKMRFEHZJKAW-QWHCGFSZSA-N 0 1 342.443 2.518 10 30 EFEEMN C=C(C)CCC(=O)N(C)CCN(C)C[C@H](O)c1ccc(F)cc1F ZINC001320007233 1329055285 /nfs/dbraw/zinc/05/52/85/1329055285.db2.gz KSTNHOIPZADETQ-KRWDZBQOSA-N 0 1 340.414 2.745 10 30 EFEEMN C=CCCCC(=O)N1CCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001296459289 1322922090 /nfs/dbraw/zinc/92/20/90/1322922090.db2.gz TVOFDLGKWCMRKR-CQSZACIVSA-N 0 1 340.427 2.640 10 30 EFEEMN C#Cc1ccc(C(=O)N(C)CCN(C)Cc2cccc(C#N)c2)cc1 ZINC001320033412 1329060679 /nfs/dbraw/zinc/06/06/79/1329060679.db2.gz LASDEYPPFJXLCH-UHFFFAOYSA-N 0 1 331.419 2.744 10 30 EFEEMN C#Cc1ccccc1CC(=O)N[C@H](C)c1nc2ccc(OC)cc2[nH]1 ZINC001296778156 1323016527 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CC(C)C#CC(=O)N1CC[C@H]2[C@@H](CCN2CC=C(Cl)Cl)C1 ZINC001320102481 1329079148 /nfs/dbraw/zinc/07/91/48/1329079148.db2.gz GQNRUOUACHZJQA-KBPBESRZSA-N 0 1 329.271 2.888 10 30 EFEEMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CC(F)(F)C(F)F)CC[C@@H]21 ZINC001320109573 1329082088 /nfs/dbraw/zinc/08/20/88/1329082088.db2.gz DBYZORFBJWKVRV-QWRGUYRKSA-N 0 1 342.764 2.952 10 30 EFEEMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CC(F)(F)C(F)F)CC[C@H]21 ZINC001320109574 1329082769 /nfs/dbraw/zinc/08/27/69/1329082769.db2.gz DBYZORFBJWKVRV-WDEREUQCSA-N 0 1 342.764 2.952 10 30 EFEEMN C=CCOCC(=O)N[C@@H]1CCC[C@H]1CNCc1ncc(C(C)(C)C)o1 ZINC001320128459 1329090881 /nfs/dbraw/zinc/09/08/81/1329090881.db2.gz LZMAIAJQPYVOTC-LSDHHAIUSA-N 0 1 349.475 2.549 10 30 EFEEMN C=C(C)C[C@@H](C)C(=O)N[C@@H](CNC(=O)C(C)(C)c1cnc[nH]1)C(C)C ZINC001297989620 1323403676 /nfs/dbraw/zinc/40/36/76/1323403676.db2.gz TZNCOYOMWUDGAI-CABCVRRESA-N 0 1 348.491 2.547 10 30 EFEEMN CC(C)c1nnc(CNC[C@@H]2CCC[C@H]2NC(=O)C#CC(C)(C)C)o1 ZINC001320135696 1329096012 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C=CCC(C)(C)C(=O)NC[C@@H](C)NCC(=O)Nc1ccc(C)cc1C ZINC001491593343 1323732683 /nfs/dbraw/zinc/73/26/83/1323732683.db2.gz SPTKPADVFQGRGB-MRXNPFEDSA-N 0 1 345.487 2.939 10 30 EFEEMN C=CCC(C)(C)C(=O)NC[C@H](C)NCC(=O)Nc1ccc(C)cc1C ZINC001491593342 1323733507 /nfs/dbraw/zinc/73/35/07/1323733507.db2.gz SPTKPADVFQGRGB-INIZCTEOSA-N 0 1 345.487 2.939 10 30 EFEEMN C[C@H](CNC(=O)CCn1cccc1)NCC#Cc1cccc(Cl)c1 ZINC001491619179 1323752694 /nfs/dbraw/zinc/75/26/94/1323752694.db2.gz WQELISQRVKQGOM-MRXNPFEDSA-N 0 1 343.858 2.678 10 30 EFEEMN Cc1noc(C)c1C(=O)N[C@@H](C)CCNCc1cc(F)ccc1C#N ZINC001320347815 1329112054 /nfs/dbraw/zinc/11/20/54/1329112054.db2.gz UUQCXHFELHHVHV-NSHDSACASA-N 0 1 344.390 2.600 10 30 EFEEMN C=C[C@@H](C(=O)NC[C@@H](C)NCc1cccnc1OC)c1ccccc1 ZINC001491688029 1323792275 /nfs/dbraw/zinc/79/22/75/1323792275.db2.gz ULEVXVODRBXDHW-CRAIPNDOSA-N 0 1 339.439 2.654 10 30 EFEEMN Cc1nc2c(cccc2C(=O)NC[C@H](C)NCC#Cc2ccccc2)o1 ZINC001491692289 1323795964 /nfs/dbraw/zinc/79/59/64/1323795964.db2.gz 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ZINC001320384948 1329121120 /nfs/dbraw/zinc/12/11/20/1329121120.db2.gz FGVMFGUUCKHITQ-NSHDSACASA-N 0 1 339.361 2.727 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CC[C@@H](CNCc2nc(CCC)no2)C1 ZINC001491836997 1323931765 /nfs/dbraw/zinc/93/17/65/1323931765.db2.gz DUQAMOUAHCDVOQ-AWEZNQCLSA-N 0 1 334.464 2.563 10 30 EFEEMN CS[C@H](C)CC(=O)N[C@H](C)CCNCc1cc(F)ccc1C#N ZINC001320389704 1329122506 /nfs/dbraw/zinc/12/25/06/1329122506.db2.gz ZTYBAQDGBSMXEO-CHWSQXEVSA-N 0 1 337.464 2.823 10 30 EFEEMN C=CC(C)(C)CC(=O)N1CC[C@H](CN[C@H](C)c2nnc(C)s2)C1 ZINC001491806258 1323955593 /nfs/dbraw/zinc/95/55/93/1323955593.db2.gz PJMKVPZJJJRUAZ-TZMCWYRMSA-N 0 1 336.505 2.948 10 30 EFEEMN C=CCC(CC=C)C(=O)N1CC[C@@H](CN[C@H](C)c2csnn2)C1 ZINC001491806415 1323955777 /nfs/dbraw/zinc/95/57/77/1323955777.db2.gz QOKMABJGLRQWAA-KGLIPLIRSA-N 0 1 334.489 2.806 10 30 EFEEMN CCCCc1noc(CN[C@H]2CCC[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001491877364 1323981316 /nfs/dbraw/zinc/98/13/16/1323981316.db2.gz PQTUNASDFXULMH-HOTGVXAUSA-N 0 1 346.475 2.589 10 30 EFEEMN C=CCCC(=O)N1CCC[C@H](N(C)[C@H](C)C(=O)N(CC)CC(=C)C)C1 ZINC001491916450 1324029104 /nfs/dbraw/zinc/02/91/04/1324029104.db2.gz MKGBEFZRYCKJLH-MSOLQXFVSA-N 0 1 349.519 2.689 10 30 EFEEMN C=CC(C)(C)CC(=O)N1CCC[C@@H](N(C)[C@H]2CCN(C(C)C)C2=O)C1 ZINC001491928811 1324042405 /nfs/dbraw/zinc/04/24/05/1324042405.db2.gz JSOQXENWALDZPG-SJORKVTESA-N 0 1 349.519 2.521 10 30 EFEEMN C=C(C)CCC(=O)N1CCC[C@@H](N(C)[C@@H](C)C(=O)NC2CCCC2)C1 ZINC001491929193 1324042606 /nfs/dbraw/zinc/04/26/06/1324042606.db2.gz MPPPZTPGUYHPQN-FUHWJXTLSA-N 0 1 349.519 2.713 10 30 EFEEMN C=CC(C)(C)CC(=O)N1CCC[C@@H](N(C)[C@@H]2CCN(C(C)C)C2=O)C1 ZINC001491928809 1324043025 /nfs/dbraw/zinc/04/30/25/1324043025.db2.gz JSOQXENWALDZPG-IAGOWNOFSA-N 0 1 349.519 2.521 10 30 EFEEMN C=C[C@H](CC)CC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(C(C)C)n2)C1 ZINC001491941852 1324056666 /nfs/dbraw/zinc/05/66/66/1324056666.db2.gz DOKQGNNWRMFTFD-HZPDHXFCSA-N 0 1 347.507 2.953 10 30 EFEEMN C=CCCCC(=O)N1CCC[C@H](N(C)[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001491946701 1324061819 /nfs/dbraw/zinc/06/18/19/1324061819.db2.gz HPZWFZOLUXNPIM-GJZGRUSLSA-N 0 1 333.480 2.707 10 30 EFEEMN C=CCCCC(=O)N1CCC[C@H](N(C)[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001491946700 1324062268 /nfs/dbraw/zinc/06/22/68/1324062268.db2.gz HPZWFZOLUXNPIM-CABCVRRESA-N 0 1 333.480 2.707 10 30 EFEEMN C=C(C)CCC(=O)N1CC[C@H](N(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC001491969964 1324092004 /nfs/dbraw/zinc/09/20/04/1324092004.db2.gz LFGYWPDGAVCGJP-AWEZNQCLSA-N 0 1 340.427 2.592 10 30 EFEEMN C=C[C@@](C)(CC)C(=O)NC1CCN(C(=O)c2cc(CCC)[nH]n2)CC1 ZINC001492114098 1324217724 /nfs/dbraw/zinc/21/77/24/1324217724.db2.gz HNHQLXSPHLSYRX-IBGZPJMESA-N 0 1 346.475 2.685 10 30 EFEEMN CN(CCNC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCc2c1cc(F)cc2F ZINC001492222404 1324359463 /nfs/dbraw/zinc/35/94/63/1324359463.db2.gz CIMHYMFFJSYIEG-QGZVFWFLSA-N 0 1 344.365 2.514 10 30 EFEEMN C=C[C@](C)(O)CC(=O)NCCN(C)C/C=C\c1ccc(Cl)cc1 ZINC001492236247 1324369005 /nfs/dbraw/zinc/36/90/05/1324369005.db2.gz IOVMPZPGHUFWLH-XFHJGTJQSA-N 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EFEEMN CC[C@H](CNC(=O)Cc1cccs1)NCc1cc(F)ccc1C#N ZINC001373724530 1341123087 /nfs/dbraw/zinc/12/30/87/1341123087.db2.gz KMIYIAJHENIQRW-MRXNPFEDSA-N 0 1 345.443 2.986 10 30 EFEEMN CC[C@H](CNC(=O)[C@H](C)C#N)NCc1ccccc1Br ZINC001373736131 1341127613 /nfs/dbraw/zinc/12/76/13/1341127613.db2.gz DCTPHIQRTMBMOY-DGCLKSJQSA-N 0 1 338.249 2.593 10 30 EFEEMN CC[C@H](CNC(=O)c1cc[nH]c1C)NCc1cc(C#N)ccc1F ZINC001373739326 1341128962 /nfs/dbraw/zinc/12/89/62/1341128962.db2.gz IWZUAZUQHGUDFD-OAHLLOKOSA-N 0 1 328.391 2.632 10 30 EFEEMN CC[C@@H](CNC(=O)[C@H](C)C#N)NCc1nc2cc(C)ccc2s1 ZINC001373740248 1341129357 /nfs/dbraw/zinc/12/93/57/1341129357.db2.gz SRZDTSILTHXZGK-OLZOCXBDSA-N 0 1 330.457 2.749 10 30 EFEEMN CC[C@@H](CNC(=O)[C@@H](C)C(F)(F)F)NCc1cc(C#N)ccc1F ZINC001373780005 1341144369 /nfs/dbraw/zinc/14/43/69/1341144369.db2.gz KKFIDXCPKQYSHH-MFKMUULPSA-N 0 1 345.340 2.880 10 30 EFEEMN C[C@](CNCc1cc(F)ccc1C#N)(NC(=O)CCCF)C1CC1 ZINC001373886023 1341188586 /nfs/dbraw/zinc/18/85/86/1341188586.db2.gz 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2.857 10 30 EFEEMN C[C@H](CNCc1cc(C#N)ccc1F)N(C)C(=O)C1(C2CC2)CC1 ZINC001392075966 1355752223 /nfs/dbraw/zinc/75/22/23/1355752223.db2.gz OGRQAHMEKBTPBJ-CYBMUJFWSA-N 0 1 329.419 2.824 10 30 EFEEMN C=C(Br)CNC[C@H](CC(C)C)NC(=O)[C@H](C)SC ZINC001374340083 1341757101 /nfs/dbraw/zinc/75/71/01/1341757101.db2.gz QFBHEUQGPKJDJH-RYUDHWBXSA-N 0 1 337.327 2.767 10 30 EFEEMN C=C(Br)CNC[C@@H](CC(C)C)NC(=O)[C@H](C)SC ZINC001374340081 1341757215 /nfs/dbraw/zinc/75/72/15/1341757215.db2.gz QFBHEUQGPKJDJH-NWDGAFQWSA-N 0 1 337.327 2.767 10 30 EFEEMN CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NCc1coc(-c2ccccc2)n1 ZINC001374413207 1341886118 /nfs/dbraw/zinc/88/61/18/1341886118.db2.gz BQMWOGUMBPFKBA-RHSMWYFYSA-N 0 1 340.427 2.732 10 30 EFEEMN CO[C@@H](C(=O)NC[C@H](NCc1ccccc1C#N)C(C)C)C1CCC1 ZINC001374424356 1341905801 /nfs/dbraw/zinc/90/58/01/1341905801.db2.gz AVOKNKYOBWBDBD-RBUKOAKNSA-N 0 1 343.471 2.604 10 30 EFEEMN CO[C@@H](C(=O)NC[C@@H](NCc1ccccc1C#N)C(C)C)C1CCC1 ZINC001374424357 1341905872 /nfs/dbraw/zinc/90/58/72/1341905872.db2.gz AVOKNKYOBWBDBD-RTBURBONSA-N 0 1 343.471 2.604 10 30 EFEEMN CN(CCN(C)C(=O)C1CC(F)(F)C1)Cc1ccc(C#N)c(F)c1 ZINC001374484820 1341962463 /nfs/dbraw/zinc/96/24/63/1341962463.db2.gz QIUFYAURMWKBCZ-UHFFFAOYSA-N 0 1 339.361 2.633 10 30 EFEEMN CN(CCN(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)Cc1cccc(C#N)c1 ZINC001374510055 1342000201 /nfs/dbraw/zinc/00/02/01/1342000201.db2.gz OOYVWHIJZUHSCF-OTWHNJEPSA-N 0 1 325.456 2.885 10 30 EFEEMN Cc1cc(C(=O)N(C)CCN(C)Cc2ccc(C#N)c(F)c2)c(C)[nH]1 ZINC001374537773 1342038971 /nfs/dbraw/zinc/03/89/71/1342038971.db2.gz CSVQUCXSEGMJGR-UHFFFAOYSA-N 0 1 342.418 2.846 10 30 EFEEMN C[C@H](C#N)C(=O)N[C@@H](CNCc1nc(C(C)(C)C)cs1)C1CC1 ZINC001392766130 1356309787 /nfs/dbraw/zinc/30/97/87/1356309787.db2.gz IBNOGSYSUNBGGT-YPMHNXCESA-N 0 1 334.489 2.585 10 30 EFEEMN Cc1ccc(CNC[C@@H](C)NC(=O)[C@@H](C)C#N)c(Br)c1 ZINC001374736625 1342144100 /nfs/dbraw/zinc/14/41/00/1342144100.db2.gz FVRFBMUZPHXHJR-NWDGAFQWSA-N 0 1 338.249 2.512 10 30 EFEEMN C[C@@H](CNCc1cc(C#N)ccc1F)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001374871056 1342216995 /nfs/dbraw/zinc/21/69/95/1342216995.db2.gz BTPGLOWTYMQTSP-BWUSGFMJSA-N 0 1 329.419 2.728 10 30 EFEEMN COc1ccc(CN(C)C[C@H](C)NC(=O)[C@H]2CCC2(C)C)cc1C#N ZINC001375099055 1342408362 /nfs/dbraw/zinc/40/83/62/1342408362.db2.gz UBFTWMIOIMHZOR-WMLDXEAASA-N 0 1 343.471 2.940 10 30 EFEEMN COc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccc(F)c(C#N)c2)o1 ZINC001375128800 1342441046 /nfs/dbraw/zinc/44/10/46/1342441046.db2.gz PRQDDWNHQJCHCN-GFCCVEGCSA-N 0 1 345.374 2.549 10 30 EFEEMN C=C(Cl)CNC[C@@H](NC(=O)[C@@]1(C)OCCc2ccccc21)C1CC1 ZINC001375279382 1342586763 /nfs/dbraw/zinc/58/67/63/1342586763.db2.gz WZXKNPGXJCWGHQ-MJGOQNOKSA-N 0 1 348.874 2.711 10 30 EFEEMN N#Cc1ccc(CNC2(CNC(=O)[C@@H]3CCC[C@@H](F)C3)CC2)s1 ZINC001375416416 1342720141 /nfs/dbraw/zinc/72/01/41/1342720141.db2.gz LJFSZWOEIMMTBX-CHWSQXEVSA-N 0 1 335.448 2.886 10 30 EFEEMN C=C(Cl)CN[C@]1(CO)CCCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001393688010 1357080823 /nfs/dbraw/zinc/08/08/23/1357080823.db2.gz BBXMIGDFUXLOHR-JKSUJKDBSA-N 0 1 334.863 2.600 10 30 EFEEMN C=C(Cl)CN1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC001375469208 1342776429 /nfs/dbraw/zinc/77/64/29/1342776429.db2.gz LIHIPBBTYMNGCK-ROUUACIJSA-N 0 1 349.906 2.965 10 30 EFEEMN CC(C)[C@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(C#N)cc2F)CC1 ZINC001375525695 1342835574 /nfs/dbraw/zinc/83/55/74/1342835574.db2.gz KQMKKERHRBQVNI-CVEARBPZSA-N 0 1 329.419 2.728 10 30 EFEEMN CCn1cccc1C(=O)NCC1(NCc2cc(C#N)ccc2F)CC1 ZINC001375546460 1342859380 /nfs/dbraw/zinc/85/93/80/1342859380.db2.gz XMNWVXCZESOGMT-UHFFFAOYSA-N 0 1 340.402 2.571 10 30 EFEEMN C=C(Cl)CN(CCOC)C1CCN(C(=O)C2(CF)CCC2)CC1 ZINC001375602499 1342921970 /nfs/dbraw/zinc/92/19/70/1342921970.db2.gz VGIWIMUBULJVQV-UHFFFAOYSA-N 0 1 346.874 2.818 10 30 EFEEMN C=C(Cl)CN(CCOC)C1CCN(C(=O)C2CC(C)C2)CC1 ZINC001375603135 1342922629 /nfs/dbraw/zinc/92/26/29/1342922629.db2.gz XKYBGHIAKBRSAP-UHFFFAOYSA-N 0 1 328.884 2.724 10 30 EFEEMN N#Cc1ccc(F)cc1CNC1CC(CNC(=O)CC(F)(F)F)C1 ZINC001375711435 1342946730 /nfs/dbraw/zinc/94/67/30/1342946730.db2.gz JXIQWSBNRYUXLX-UHFFFAOYSA-N 0 1 343.324 2.634 10 30 EFEEMN C=C(Br)CNC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1CCC ZINC001375759216 1342982807 /nfs/dbraw/zinc/98/28/07/1342982807.db2.gz FJTRRAPFFMRNNF-MGPQQGTHSA-N 0 1 329.282 2.912 10 30 EFEEMN C[C@H](C#N)C(=O)N[C@@H](CNCc1ccncc1Cl)C1CCCC1 ZINC001375787060 1343012824 /nfs/dbraw/zinc/01/28/24/1343012824.db2.gz ZSQHMNGCZQJJLV-WBMJQRKESA-N 0 1 334.851 2.659 10 30 EFEEMN CO[C@H](CC(C)C)C(=O)N[C@@]1(C)CCN(Cc2ccc(C#N)cc2)C1 ZINC001375846079 1343086074 /nfs/dbraw/zinc/08/60/74/1343086074.db2.gz SMLAWHHPWULYIA-QUCCMNQESA-N 0 1 343.471 2.700 10 30 EFEEMN CO[C@H](CC(C)C)C(=O)N[C@]1(C)CCN(Cc2ccc(C#N)cc2)C1 ZINC001375846082 1343086224 /nfs/dbraw/zinc/08/62/24/1343086224.db2.gz SMLAWHHPWULYIA-UYAOXDASSA-N 0 1 343.471 2.700 10 30 EFEEMN C=C(Cl)CNC1(CNC(=O)C2(c3ccccc3)CC2)CCOCC1 ZINC001375983975 1343239189 /nfs/dbraw/zinc/23/91/89/1343239189.db2.gz 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C=C(C)C[C@H](CO)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1O ZINC001558111190 1415160611 /nfs/dbraw/zinc/16/06/11/1415160611.db2.gz ZWFXKSVXANVTLL-CYBMUJFWSA-N 0 1 329.352 2.522 10 30 EFEEMN N#Cc1cc(C(=O)NCCCCc2ccnc(N)c2)ccc1Cl ZINC001558884097 1415208804 /nfs/dbraw/zinc/20/88/04/1415208804.db2.gz NLPBMGAUTUKQEI-UHFFFAOYSA-N 0 1 328.803 2.942 10 30 EFEEMN C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001559898848 1415257699 /nfs/dbraw/zinc/25/76/99/1415257699.db2.gz NKWOBPFDFFYOFR-LBPRGKRZSA-N 0 1 339.374 2.509 10 30 EFEEMN C=CCOc1ccc(CNS(=O)(=O)c2cc(O)cc(F)c2)cc1 ZINC001561555323 1415317784 /nfs/dbraw/zinc/31/77/84/1415317784.db2.gz IAKPZLJJEONWCF-UHFFFAOYSA-N 0 1 337.372 2.575 10 30 EFEEMN C#CCOc1ccc(NC(=O)N2CCN(C)C[C@H]2CC(C)C)cc1 ZINC001562370099 1415339918 /nfs/dbraw/zinc/33/99/18/1415339918.db2.gz DJIWTKWQUHVXNA-QGZVFWFLSA-N 0 1 329.444 2.893 10 30 EFEEMN CN(C)CC#CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001564660646 1415381113 /nfs/dbraw/zinc/38/11/13/1415381113.db2.gz VQCOFFKQBUALNM-SWLSCSKDSA-N 0 1 340.254 2.714 10 30 EFEEMN Cc1cccc(C2=CCN(C(=O)NCC#CCN(C)C)CC2)c1C ZINC001565497323 1415396655 /nfs/dbraw/zinc/39/66/55/1415396655.db2.gz JIKHWFKRRKPTJJ-UHFFFAOYSA-N 0 1 325.456 2.667 10 30 EFEEMN CN(C)CC#CCNC(=O)N(CCc1ccccc1F)C1CCCC1 ZINC001565496485 1415396675 /nfs/dbraw/zinc/39/66/75/1415396675.db2.gz KBZVMTBWBIMEFX-UHFFFAOYSA-N 0 1 345.462 2.887 10 30 EFEEMN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCC#CCN(C)C ZINC001565496913 1415397109 /nfs/dbraw/zinc/39/71/09/1415397109.db2.gz VPEZXDGMLZAXCH-ZDUSSCGKSA-N 0 1 330.457 2.564 10 30 EFEEMN C=CC(C)(C)C(=O)N1CC2(C1)CCN(Cc1c(C)onc1CC)C2 ZINC001565499331 1415397380 /nfs/dbraw/zinc/39/73/80/1415397380.db2.gz WHMLRJZMUQWPAN-UHFFFAOYSA-N 0 1 331.460 2.792 10 30 EFEEMN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(C(C)C)n1 ZINC001565826795 1415422346 /nfs/dbraw/zinc/42/23/46/1415422346.db2.gz SPTTWJNYIPJWMS-KBXCAEBGSA-N 0 1 333.480 2.563 10 30 EFEEMN C=CCOCCN1CC[C@H]1CN(C)C(=O)Cc1ccc(Cl)s1 ZINC001565828670 1415422685 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C=C[C@H](C(=O)NC[C@H]1C[C@H](NCc2cnc(C)o2)C1)c1ccccc1 ZINC001565877683 1415442218 /nfs/dbraw/zinc/44/22/18/1415442218.db2.gz AEEXTJOMQLWNMX-IEZWGBDMSA-N 0 1 339.439 2.937 10 30 EFEEMN O=C(C#CC1CC1)NC[C@H]1CC[C@@H](NCc2csc(C3CC3)n2)C1 ZINC001565894667 1415445338 /nfs/dbraw/zinc/44/53/38/1415445338.db2.gz NXVMQMLSHJVIFZ-GOEBONIOSA-N 0 1 343.496 2.808 10 30 EFEEMN CC#CCCCC(=O)NC[C@H]1CC[C@@H](N[C@H](C)c2ncccn2)C1 ZINC001565905742 1415447017 /nfs/dbraw/zinc/44/70/17/1415447017.db2.gz ZQTYBLKAAHCZKX-IXDOHACOSA-N 0 1 328.460 2.606 10 30 EFEEMN C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1CC ZINC001566010610 1415481729 /nfs/dbraw/zinc/48/17/29/1415481729.db2.gz MAKSACLAKVTCOR-LSDHHAIUSA-N 0 1 334.464 2.753 10 30 EFEEMN CC[C@@H]1[C@@H](NC(=O)C2(C3CCCCC3)CC2)CCN1CC#CCOC ZINC001566026517 1415486108 /nfs/dbraw/zinc/48/61/08/1415486108.db2.gz AESROCJGTGMRIL-RBUKOAKNSA-N 0 1 346.515 2.966 10 30 EFEEMN C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2C1 ZINC001566042137 1415491734 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2.757 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CCCCC[C@H](N[C@@H](C)c2nncn2C)C1 ZINC001566075845 1415506388 /nfs/dbraw/zinc/50/63/88/1415506388.db2.gz XDTPQKMYYKCVNS-HOTGVXAUSA-N 0 1 347.507 2.839 10 30 EFEEMN COCc1cccc(CN2CC[C@H](NC(=O)C#CC(C)C)[C@H]2C)c1 ZINC001566087128 1415510216 /nfs/dbraw/zinc/51/02/16/1415510216.db2.gz OVBYWZOBQCDNGW-APWZRJJASA-N 0 1 328.456 2.571 10 30 EFEEMN CCCOCC(=O)N1CCCC[C@H]1CN(C)Cc1ccc(C#N)s1 ZINC001566119868 1415518830 /nfs/dbraw/zinc/51/88/30/1415518830.db2.gz PFLSNILFHDFVGB-HNNXBMFYSA-N 0 1 349.500 2.859 10 30 EFEEMN C#CCN(C)C[C@@H]1CCCCN1C(=O)CCOc1cccc(F)c1 ZINC001566121879 1415520672 /nfs/dbraw/zinc/52/06/72/1415520672.db2.gz AKXKGIUMRSPNJJ-KRWDZBQOSA-N 0 1 332.419 2.541 10 30 EFEEMN C#CCCNCc1nc2c(s1)CCN(C(=O)C13CCC(CC1)C3)C2 ZINC001566125652 1415524015 /nfs/dbraw/zinc/52/40/15/1415524015.db2.gz QMTWNHNRPFIRPO-UHFFFAOYSA-N 0 1 343.496 2.721 10 30 EFEEMN C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2cnnn2C)CC(C)(C)C1 ZINC001566129379 1415526765 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/nfs/dbraw/zinc/61/08/82/1418610882.db2.gz ANUHUWGAGVZQPI-DLBZAZTESA-N 0 1 328.460 2.559 10 30 EFEEMN CC#CCCCC(=O)N(C)CCN[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC001714747727 1418622704 /nfs/dbraw/zinc/62/27/04/1418622704.db2.gz WUAMSOVJJIDCJU-QGZVFWFLSA-N 0 1 343.471 2.564 10 30 EFEEMN COc1ccc(C#N)cc1CNCCN(C)C(=O)CC(C)=C(C)C ZINC001714748175 1418622733 /nfs/dbraw/zinc/62/27/33/1418622733.db2.gz UIEJFKKPYRHPAG-UHFFFAOYSA-N 0 1 329.444 2.861 10 30 EFEEMN CN(CCNCC#Cc1ccccc1)C(=O)c1cc2ccccc2n1C ZINC001714753874 1418625665 /nfs/dbraw/zinc/62/56/65/1418625665.db2.gz LOMJYHZSWIYVEU-UHFFFAOYSA-N 0 1 345.446 2.892 10 30 EFEEMN C=C[C@](C)(CC)C(=O)N(C)CCN[C@H](C)C(=O)N(C)c1ccccc1 ZINC001714753132 1418625786 /nfs/dbraw/zinc/62/57/86/1418625786.db2.gz RCWKVPOSZVADDY-OXQOHEQNSA-N 0 1 345.487 2.688 10 30 EFEEMN C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCNCC#Cc1ccccc1 ZINC001714763547 1418631275 /nfs/dbraw/zinc/63/12/75/1418631275.db2.gz JIVLTDBWNOFTEX-AZUAARDMSA-N 0 1 342.483 2.681 10 30 EFEEMN C=C(C)CCC(=O)NCC[C@H]1CCN([C@H](C)c2n[nH]c(CC)n2)C1 ZINC001714868830 1418642230 /nfs/dbraw/zinc/64/22/30/1418642230.db2.gz SMKPRJQOWDLURT-CABCVRRESA-N 0 1 333.480 2.613 10 30 EFEEMN CC(C)(C)C#CC(=O)NCC[C@H]1CCN(Cc2cncc(F)c2)C1 ZINC001714868437 1418642365 /nfs/dbraw/zinc/64/23/65/1418642365.db2.gz VWBNVMDCEXBENM-HNNXBMFYSA-N 0 1 331.435 2.598 10 30 EFEEMN C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001715018771 1418645517 /nfs/dbraw/zinc/64/55/17/1418645517.db2.gz WUITXZHEIGPILA-SJLPKXTDSA-N 0 1 336.863 2.700 10 30 EFEEMN CCN(C(=O)CCc1ccccc1C)[C@H]1CCN(CC#CCOC)C1 ZINC001715039863 1418648265 /nfs/dbraw/zinc/64/82/65/1418648265.db2.gz AJAMNCIVFYEBFO-FQEVSTJZSA-N 0 1 342.483 2.500 10 30 EFEEMN C=CCCCC(=O)N1CCC2(CN([C@H](C)c3n[nH]c(CC)n3)C2)CC1 ZINC001715314955 1418662700 /nfs/dbraw/zinc/66/27/00/1418662700.db2.gz IYCYIYRMDJYGRX-OAHLLOKOSA-N 0 1 345.491 2.709 10 30 EFEEMN CC#CCCCC(=O)N1CCC[C@H]([C@@H](C)NCc2nccc(C)n2)C1 ZINC001715317671 1418663972 /nfs/dbraw/zinc/66/39/72/1418663972.db2.gz WBPOQUNLNFWHCF-MSOLQXFVSA-N 0 1 342.487 2.695 10 30 EFEEMN C=C(C)CCC(=O)N(C)[C@@H](C)CNCC(=O)Nc1ccc(C)cc1 ZINC001715338232 1418665046 /nfs/dbraw/zinc/66/50/46/1418665046.db2.gz JSCUDSRMWYUDMJ-INIZCTEOSA-N 0 1 331.460 2.726 10 30 EFEEMN C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)CNCc1nsc2ccccc12 ZINC001715338085 1418665111 /nfs/dbraw/zinc/66/51/11/1418665111.db2.gz XAICTCZZWPGXRT-SCLBCKFNSA-N 0 1 347.484 2.560 10 30 EFEEMN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCC(=O)Nc2ccc(C)cc2)C1 ZINC001715360576 1418667663 /nfs/dbraw/zinc/66/76/63/1418667663.db2.gz NTECDQZCDHLVMJ-INIZCTEOSA-N 0 1 343.471 2.726 10 30 EFEEMN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCC(=O)Nc2ccc(C)cc2)C1 ZINC001715360581 1418667777 /nfs/dbraw/zinc/66/77/77/1418667777.db2.gz NTECDQZCDHLVMJ-MRXNPFEDSA-N 0 1 343.471 2.726 10 30 EFEEMN C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)c1ccnc(F)c1 ZINC001715360859 1418668262 /nfs/dbraw/zinc/66/82/62/1418668262.db2.gz VEFNTVXBAGYBSR-BXUZGUMPSA-N 0 1 325.815 2.804 10 30 EFEEMN C=CCC1(C(=O)N(C)[C@H](C)CNCc2cc(OC)ccn2)CCC1 ZINC001715362086 1418668806 /nfs/dbraw/zinc/66/88/06/1418668806.db2.gz RGDVVNWJBSPAJB-OAHLLOKOSA-N 0 1 331.460 2.773 10 30 EFEEMN O=C(NC/C=C/CNCC#Cc1ccccc1Cl)c1ccsn1 ZINC001715833664 1418686206 /nfs/dbraw/zinc/68/62/06/1418686206.db2.gz OEZCNHNVUXILCI-ONEGZZNKSA-N 0 1 345.855 2.724 10 30 EFEEMN CC(F)(F)CCC(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001715835748 1418687630 /nfs/dbraw/zinc/68/76/30/1418687630.db2.gz QCORAVWZTDUENO-NSCUHMNNSA-N 0 1 327.400 2.817 10 30 EFEEMN CCc1cccnc1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001715837380 1418687986 /nfs/dbraw/zinc/68/79/86/1418687986.db2.gz DGAMDZIPYCZZPM-ARJAWSKDSA-N 0 1 340.452 2.653 10 30 EFEEMN O=C(NC/C=C/CNCC#Cc1ccc(F)cc1)[C@@H]1Cc2ccccc21 ZINC001715860959 1418691142 /nfs/dbraw/zinc/69/11/42/1418691142.db2.gz OABGAGKMKFJMDK-YEFOHOTDSA-N 0 1 348.421 2.779 10 30 EFEEMN O=C(NC/C=C\CNCC#Cc1ccc(F)cc1)[C@@H]1Cc2ccccc21 ZINC001715860957 1418691260 /nfs/dbraw/zinc/69/12/60/1418691260.db2.gz OABGAGKMKFJMDK-VKUXZERMSA-N 0 1 348.421 2.779 10 30 EFEEMN C=CCC(C)(C)C(=O)N(C)CCN(C)C[C@@H](O)c1ccc(F)cc1 ZINC001715957004 1418700100 /nfs/dbraw/zinc/70/01/00/1418700100.db2.gz DHYOTETVOMXCDF-QGZVFWFLSA-N 0 1 336.451 2.852 10 30 EFEEMN C#Cc1ccc(C(=O)N[C@H](C)CN[C@H](C)c2cc(F)ccc2F)cn1 ZINC001715955913 1418700107 /nfs/dbraw/zinc/70/01/07/1418700107.db2.gz RHDOUMADPZWSSH-CHWSQXEVSA-N 0 1 343.377 2.810 10 30 EFEEMN C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)CC[C@H]1CCOC1 ZINC001715968974 1418700766 /nfs/dbraw/zinc/70/07/66/1418700766.db2.gz COXSHNBHTDFBIA-HOTGVXAUSA-N 0 1 348.874 2.603 10 30 EFEEMN C[C@H](CCNCc1cc(F)ccc1C#N)NC(=O)C1C=CC=CC=C1 ZINC001716142721 1418710630 /nfs/dbraw/zinc/71/06/30/1418710630.db2.gz CGUGDTFAPNUPFY-OAHLLOKOSA-N 0 1 339.414 2.980 10 30 EFEEMN CCN(CCNCC#Cc1cccc(Cl)c1)C(=O)C[C@@H]1CCCO1 ZINC001716206876 1418724717 /nfs/dbraw/zinc/72/47/17/1418724717.db2.gz JGXYLZWUYVKNJW-SFHVURJKSA-N 0 1 348.874 2.699 10 30 EFEEMN CCN(CCNCC#Cc1ccc(F)cc1)C(=O)CCc1ccco1 ZINC001716205867 1418724797 /nfs/dbraw/zinc/72/47/97/1418724797.db2.gz LPJUMDCCVDXRPI-UHFFFAOYSA-N 0 1 342.414 2.841 10 30 EFEEMN C=C(Cl)CNCCN(CC)C(=O)c1cc(Br)c[nH]1 ZINC001716227893 1418728458 /nfs/dbraw/zinc/72/84/58/1418728458.db2.gz KWVDYJYWVVMVQL-UHFFFAOYSA-N 0 1 334.645 2.581 10 30 EFEEMN C=C(Cl)CNCCN(CC)C(=O)c1c(Cl)nn(C)c1Cl ZINC001716244812 1418736666 /nfs/dbraw/zinc/73/66/66/1418736666.db2.gz HVMFOEPHIHBZOC-UHFFFAOYSA-N 0 1 339.654 2.531 10 30 EFEEMN C=C(Br)CNCCN(CC)C(=O)c1cc(C)n(C)c1C ZINC001716256445 1418743306 /nfs/dbraw/zinc/74/33/06/1418743306.db2.gz BWHSXKUVQRFDGQ-UHFFFAOYSA-N 0 1 342.281 2.602 10 30 EFEEMN O=C(NC/C=C\CNCC#Cc1cccc(Cl)c1)c1ccncc1 ZINC001716261581 1418746445 /nfs/dbraw/zinc/74/64/45/1418746445.db2.gz PTRVYYDHNDVVDH-UPHRSURJSA-N 0 1 339.826 2.662 10 30 EFEEMN O=C(C[C@H]1CCCO1)NC/C=C/CNCC#Cc1ccccc1Cl ZINC001716268995 1418749730 /nfs/dbraw/zinc/74/97/30/1418749730.db2.gz LKSUOSISXAMHIR-REMYHPOOSA-N 0 1 346.858 2.523 10 30 EFEEMN C=C[C@](C)(O)CC(=O)NC/C=C/CN[C@H](C)c1ccccc1Cl ZINC001716288298 1418752872 /nfs/dbraw/zinc/75/28/72/1418752872.db2.gz JFMRORSGXDWVOM-QBJLPMDFSA-N 0 1 336.863 2.990 10 30 EFEEMN C#Cc1ccc(C(=O)NC/C=C\CNCc2ccncc2Cl)cc1 ZINC001716328332 1418778048 /nfs/dbraw/zinc/77/80/48/1418778048.db2.gz HMBDZHUMFBGEDL-ARJAWSKDSA-N 0 1 339.826 2.792 10 30 EFEEMN C=C(Cl)CNC/C=C\CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001716338516 1418783521 /nfs/dbraw/zinc/78/35/21/1418783521.db2.gz MINQTLOHCGTQLL-ARJAWSKDSA-N 0 1 333.819 2.805 10 30 EFEEMN O=C(NC/C=C/CNCC#Cc1ccccc1)c1ocnc1C(F)F ZINC001716343723 1418787842 /nfs/dbraw/zinc/78/78/42/1418787842.db2.gz IURRNPURPBZMHY-SNAWJCMRSA-N 0 1 345.349 2.540 10 30 EFEEMN N#Cc1ccc(CNC/C=C/CNC(=O)c2coc(C3CC3)n2)s1 ZINC001716352710 1418795221 /nfs/dbraw/zinc/79/52/21/1418795221.db2.gz YKESEDWXAAQPHT-OWOJBTEDSA-N 0 1 342.424 2.561 10 30 EFEEMN CO[C@@H](C(=O)NC/C=C\CNCC#Cc1ccccc1)C1CCCC1 ZINC001716371413 1418857056 /nfs/dbraw/zinc/85/70/56/1418857056.db2.gz ZYLNFIBYXVXDIJ-WHXUGTBJSA-N 0 1 340.467 2.505 10 30 EFEEMN O=C(NC/C=C\CNCC#Cc1ccccc1)c1cc(F)cc(F)c1 ZINC001716373202 1418857634 /nfs/dbraw/zinc/85/76/34/1418857634.db2.gz LKOISUUEGWKHMJ-PLNGDYQASA-N 0 1 340.373 2.892 10 30 EFEEMN C=C[C@@H](C(=O)N[C@H](C)CNCc1cc(OC)ns1)c1ccccc1 ZINC001716424529 1418877781 /nfs/dbraw/zinc/87/77/81/1418877781.db2.gz JOQXHVILOMSKAC-CZUORRHYSA-N 0 1 345.468 2.716 10 30 EFEEMN C=CCC1(C(=O)N[C@H](C)CNCc2n[nH]c(C(C)(C)C)n2)CCCC1 ZINC001716427281 1418879806 /nfs/dbraw/zinc/87/98/06/1418879806.db2.gz PJSUHVCPJSNXHI-CQSZACIVSA-N 0 1 347.507 2.833 10 30 EFEEMN C=C(C)CCC(=O)N[C@@H](C)CNCC(=O)Nc1ccc(C)cc1F ZINC001716438910 1418883129 /nfs/dbraw/zinc/88/31/29/1418883129.db2.gz QYYGMXARUUSULL-AWEZNQCLSA-N 0 1 335.423 2.523 10 30 EFEEMN C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)[C@H](C)C(F)(F)F ZINC001716449080 1418887330 /nfs/dbraw/zinc/88/73/30/1418887330.db2.gz ZGDZYJKMAZCPGJ-RYUDHWBXSA-N 0 1 346.780 2.984 10 30 EFEEMN C=CCC1(C(=O)N[C@@H](C)CN(C)[C@H](C)c2n[nH]c(C)n2)CCCC1 ZINC001716506597 1418902241 /nfs/dbraw/zinc/90/22/41/1418902241.db2.gz DTIPTWUGTQQJKZ-UONOGXRCSA-N 0 1 333.480 2.747 10 30 EFEEMN CN(CCCNCc1noc2c1CC(C)(C)CC2)C(=O)C#CC1CC1 ZINC001716540631 1418907220 /nfs/dbraw/zinc/90/72/20/1418907220.db2.gz JGLGJGLRTHKVNI-UHFFFAOYSA-N 0 1 343.471 2.541 10 30 EFEEMN CN(CCCNCc1ncc(-c2ccccc2)o1)C(=O)C#CC1CC1 ZINC001716541024 1418907538 /nfs/dbraw/zinc/90/75/38/1418907538.db2.gz QAXKBKVICYVBLN-UHFFFAOYSA-N 0 1 337.423 2.693 10 30 EFEEMN N#Cc1ccccc1CNC[C@@H](NC(=O)/C=C/c1ccc[nH]1)C1CC1 ZINC001716608697 1418923110 /nfs/dbraw/zinc/92/31/10/1418923110.db2.gz GOTBTHCIJNLJHG-JBVUFVISSA-N 0 1 334.423 2.584 10 30 EFEEMN CCCCCCCN1CC[C@H]1CNC(=O)c1ccnc2ccnn21 ZINC001716654251 1418942706 /nfs/dbraw/zinc/94/27/06/1418942706.db2.gz YQYNHFVOIGQWCW-HNNXBMFYSA-N 0 1 329.448 2.504 10 30 EFEEMN CCCCCCCN1CC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001716655490 1418943089 /nfs/dbraw/zinc/94/30/89/1418943089.db2.gz CSRQTHQUTMVCGM-MRXNPFEDSA-N 0 1 329.448 2.732 10 30 EFEEMN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCN1Cc1ccc(C)cc1 ZINC001716657199 1418945011 /nfs/dbraw/zinc/94/50/11/1418945011.db2.gz GXBJFRLIIXIAAI-QUCCMNQESA-N 0 1 330.472 2.914 10 30 EFEEMN C=CCCCCCN1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001716662877 1418948468 /nfs/dbraw/zinc/94/84/68/1418948468.db2.gz OHMLLVVVEAJOKO-HNNXBMFYSA-N 0 1 333.480 2.584 10 30 EFEEMN C=CCCCN1CC[C@H]1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC001716669427 1418951176 /nfs/dbraw/zinc/95/11/76/1418951176.db2.gz OLVLQNUYQANUEZ-AWEZNQCLSA-N 0 1 326.396 2.563 10 30 EFEEMN O=C(C[C@H]1C=CCC1)NCC1(NCC#Cc2ccc(F)cc2)CC1 ZINC001716675447 1418954651 /nfs/dbraw/zinc/95/46/51/1418954651.db2.gz JZQJRIFNGRFOOY-KRWDZBQOSA-N 0 1 326.415 2.772 10 30 EFEEMN C=CCCC(=O)NCC1(N[C@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC001716677365 1418956380 /nfs/dbraw/zinc/95/63/80/1418956380.db2.gz WSUNFOJOWKUGBU-MRXNPFEDSA-N 0 1 343.471 2.835 10 30 EFEEMN C=C[C@@](C)(CC)C(=O)NCC1(NCC(=O)Nc2ccc(F)cc2)CC1 ZINC001716693012 1418959765 /nfs/dbraw/zinc/95/97/65/1418959765.db2.gz OKOOYGBGJMAJEV-SFHVURJKSA-N 0 1 347.434 2.605 10 30 EFEEMN C[C@@H](CC(=O)NCC1(NCC#Cc2ccccc2)CC1)n1cccc1 ZINC001716698899 1418961086 /nfs/dbraw/zinc/96/10/86/1418961086.db2.gz WFAZXMAOPVARIJ-SFHVURJKSA-N 0 1 335.451 2.729 10 30 EFEEMN COCC#CCN1CCC[C@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001716723518 1418974333 /nfs/dbraw/zinc/97/43/33/1418974333.db2.gz KQSDOBYYKNFERP-FQEVSTJZSA-N 0 1 334.504 2.777 10 30 EFEEMN Cc1ncc(CN2CCC[C@]3(CCN(C(=O)C#CC(C)(C)C)C3)C2)o1 ZINC001716724147 1418975215 /nfs/dbraw/zinc/97/52/15/1418975215.db2.gz BUICINVQUUGVIP-FQEVSTJZSA-N 0 1 343.471 2.847 10 30 EFEEMN COCC#CCN1CCC[C@@]2(CCN(C(=O)C3CCC=CCC3)C2)C1 ZINC001716724326 1418975450 /nfs/dbraw/zinc/97/54/50/1418975450.db2.gz ZUBIQCBPRBQUDD-OAQYLSRUSA-N 0 1 344.499 2.697 10 30 EFEEMN C=CCCC(=O)N1CCC2(C1)CCN(Cc1cc(C)n(C)n1)CC2 ZINC001716725655 1418976567 /nfs/dbraw/zinc/97/65/67/1418976567.db2.gz NWYACLNALWYDNY-UHFFFAOYSA-N 0 1 330.476 2.509 10 30 EFEEMN C=CCCCC(=O)N1CCC2(C1)CCN(Cc1ccnn1C)CC2 ZINC001716726761 1418977116 /nfs/dbraw/zinc/97/71/16/1418977116.db2.gz VXGIMLUUYGJMNG-UHFFFAOYSA-N 0 1 330.476 2.591 10 30 EFEEMN CC#CCCCC(=O)N1CC[C@@]2(CCN([C@@H](C)c3cnccn3)C2)C1 ZINC001716732841 1418983075 /nfs/dbraw/zinc/98/30/75/1418983075.db2.gz YJJMCVHIHOWOMM-FXAWDEMLSA-N 0 1 340.471 2.656 10 30 EFEEMN C=CCOCCCC(=O)N(C)C1CN(CC2CCC(F)(F)CC2)C1 ZINC001716738421 1418985550 /nfs/dbraw/zinc/98/55/50/1418985550.db2.gz CJCGNRKZGCUNII-UHFFFAOYSA-N 0 1 344.446 2.937 10 30 EFEEMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001716742477 1418986982 /nfs/dbraw/zinc/98/69/82/1418986982.db2.gz MEVZYFQYJIJHDQ-AWEZNQCLSA-N 0 1 339.443 2.583 10 30 EFEEMN C=CCC[C@@H](C)N1CC(N(C)C(=O)COc2ccc(OC)c(C)c2)C1 ZINC001716742476 1418987137 /nfs/dbraw/zinc/98/71/37/1418987137.db2.gz MEVCMCXGJRPMRN-MRXNPFEDSA-N 0 1 346.471 2.880 10 30 EFEEMN C=CCCCN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001716748154 1418989916 /nfs/dbraw/zinc/98/99/16/1418989916.db2.gz AEAGPDBRIIHYMB-RBUKOAKNSA-N 0 1 328.456 2.908 10 30 EFEEMN 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/nfs/dbraw/zinc/71/60/70/1105716070.db2.gz IVGPIQWIIFWOBM-SFHVURJKSA-N 0 1 334.485 2.538 10 30 EFEEMN C#CCN1CCC[C@](C)(CNC(=O)c2cc(F)cc3ccncc32)C1 ZINC001671887720 1105721361 /nfs/dbraw/zinc/72/13/61/1105721361.db2.gz UUYDIEOFRINOOF-HXUWFJFHSA-N 0 1 339.414 2.839 10 30 EFEEMN C#CCN1CCC[C@@](C)(CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001671892296 1105722619 /nfs/dbraw/zinc/72/26/19/1105722619.db2.gz MRJREJDTYKUJTC-SFHVURJKSA-N 0 1 333.501 2.906 10 30 EFEEMN COCC#CCN1CCC[C@](C)(CNC(=O)C(C)(C)C2CCC2)C1 ZINC001671899072 1105724758 /nfs/dbraw/zinc/72/47/58/1105724758.db2.gz XOMSEAIAJFIDFR-HXUWFJFHSA-N 0 1 334.504 2.681 10 30 EFEEMN COCC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001671898613 1105725086 /nfs/dbraw/zinc/72/50/86/1105725086.db2.gz SVLRUTDDTQSPIB-RCLSDMTESA-N 0 1 346.515 2.681 10 30 EFEEMN CC#CCCCC(=O)NC[C@]1(C)CCCN([C@@H](C)c2cnccn2)C1 ZINC001671900452 1105725174 /nfs/dbraw/zinc/72/51/74/1105725174.db2.gz ASTKOHSXMLNRCT-PXNSSMCTSA-N 0 1 342.487 2.950 10 30 EFEEMN CC#CCCCC(=O)NC[C@]1(C)CCCN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC001671900430 1105725231 /nfs/dbraw/zinc/72/52/31/1105725231.db2.gz ABRXZRBEVBTGGT-KXBFYZLASA-N 0 1 345.491 2.586 10 30 EFEEMN C#CCN1CCC[C@](C)(CNC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001671897493 1105725602 /nfs/dbraw/zinc/72/56/02/1105725602.db2.gz KOVQWOACSKCFRO-HXUWFJFHSA-N 0 1 336.439 2.542 10 30 EFEEMN CC#CCCCC(=O)NC[C@@]1(C)CCCN([C@@H](C)c2cnccn2)C1 ZINC001671900451 1105725687 /nfs/dbraw/zinc/72/56/87/1105725687.db2.gz ASTKOHSXMLNRCT-FXAWDEMLSA-N 0 1 342.487 2.950 10 30 EFEEMN C#CCN1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001671908759 1105727515 /nfs/dbraw/zinc/72/75/15/1105727515.db2.gz WBZBNKGVWGWJOZ-WAOWUJCRSA-N 0 1 340.467 2.650 10 30 EFEEMN C#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001671915821 1105729938 /nfs/dbraw/zinc/72/99/38/1105729938.db2.gz ADGQMWSYYZAMFG-LIRRHRJNSA-N 0 1 334.410 2.920 10 30 EFEEMN C#CCN1CCC[C@@](C)(CNC(=O)COc2c(C)cccc2C)C1 ZINC001671917113 1105730871 /nfs/dbraw/zinc/73/08/71/1105730871.db2.gz VQGABLCSGNFGJS-FQEVSTJZSA-N 0 1 328.456 2.534 10 30 EFEEMN C=CCCOCC(=O)NC[C@]1(C)CCCN(Cc2cncc(C)c2)C1 ZINC001671916815 1105731137 /nfs/dbraw/zinc/73/11/37/1105731137.db2.gz RMTWFQBRAIWQDI-FQEVSTJZSA-N 0 1 345.487 2.701 10 30 EFEEMN C=CCCC(=O)NC[C@H]1CN(CCc2ccns2)CCC1(F)F ZINC001671962214 1105737553 /nfs/dbraw/zinc/73/75/53/1105737553.db2.gz DQDFDAWRGWUYID-ZDUSSCGKSA-N 0 1 343.443 2.725 10 30 EFEEMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)n2cccc2)C1 ZINC001671963188 1105738744 /nfs/dbraw/zinc/73/87/44/1105738744.db2.gz VBUWCXBTPYNJBR-GJZGRUSLSA-N 0 1 325.403 2.699 10 30 EFEEMN C=CCOCCN1CCC(F)(F)[C@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001671968924 1105740730 /nfs/dbraw/zinc/74/07/30/1105740730.db2.gz POORZXITZUBIMF-MRXNPFEDSA-N 0 1 342.430 2.763 10 30 EFEEMN C=CCOCCN1CCC(F)(F)[C@H](CNC(=O)C(C)(C)C(=C)C)C1 ZINC001671969172 1105740861 /nfs/dbraw/zinc/74/08/61/1105740861.db2.gz UJVQKZWPBIGTTC-OAHLLOKOSA-N 0 1 344.446 2.865 10 30 EFEEMN C=CCC[C@@H](C)N1CC(O)(CNC(=O)c2cccc3c2CCCC3)C1 ZINC001672084957 1105754424 /nfs/dbraw/zinc/75/44/24/1105754424.db2.gz XDVUZBYFLDYBMM-MRXNPFEDSA-N 0 1 342.483 2.697 10 30 EFEEMN C=CCC[C@H](C)N1CC(O)(CNC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001672121060 1105758085 /nfs/dbraw/zinc/75/80/85/1105758085.db2.gz NECSXWLRCRBRIF-PKOBYXMFSA-N 0 1 344.499 2.944 10 30 EFEEMN C=CCC[C@@H](C)N1CC(O)(CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001672125084 1105759168 /nfs/dbraw/zinc/75/91/68/1105759168.db2.gz NFJVBPMQYYADMA-LSWWBPAMSA-N 0 1 334.504 2.720 10 30 EFEEMN C=CCC[C@@H](C)N1CC(O)(CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001672146948 1105760257 /nfs/dbraw/zinc/76/02/57/1105760257.db2.gz LCBPETVGLQDUDA-HZPDHXFCSA-N 0 1 348.462 2.522 10 30 EFEEMN C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(C(C)C)n1)C2 ZINC001672166510 1105764037 /nfs/dbraw/zinc/76/40/37/1105764037.db2.gz MKNGNFIRVRPEBR-JYJNAYRXSA-N 0 1 345.491 2.754 10 30 EFEEMN CC#CCN[C@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1CC ZINC001672177153 1105767645 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C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(C(C)C)n1 ZINC001672343215 1105806811 /nfs/dbraw/zinc/80/68/11/1105806811.db2.gz FTRMBACIZPXFNZ-MUJYYYPQSA-N 0 1 345.491 2.754 10 30 EFEEMN CC(C)C#CC(=O)NC[C@H]1CC[C@H](CN[C@H](C)c2csnn2)CC1 ZINC001672364340 1105812759 /nfs/dbraw/zinc/81/27/59/1105812759.db2.gz BQCDJLWFNXVNGZ-BZUAXINKSA-N 0 1 348.516 2.771 10 30 EFEEMN CC(C)C#CC(=O)NC[C@H]1CC[C@H](CN[C@@H](C)c2csnn2)CC1 ZINC001672364341 1105813473 /nfs/dbraw/zinc/81/34/73/1105813473.db2.gz BQCDJLWFNXVNGZ-JYJNAYRXSA-N 0 1 348.516 2.771 10 30 EFEEMN C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001672365334 1105814210 /nfs/dbraw/zinc/81/42/10/1105814210.db2.gz VBWBGYYKIABAHO-WKILWMFISA-N 0 1 331.460 2.879 10 30 EFEEMN CC#CCCCC(=O)NC[C@H]1CC[C@H](CNCc2cnsn2)CC1 ZINC001672372591 1105815806 /nfs/dbraw/zinc/81/58/06/1105815806.db2.gz HJVZMZOFIPFBFM-WKILWMFISA-N 0 1 348.516 2.744 10 30 EFEEMN C=C(Cl)CNCCN(Cc1ccccc1)C(=O)c1ocnc1C ZINC001672388732 1105820663 /nfs/dbraw/zinc/82/06/63/1105820663.db2.gz NMLUGYDLWDNIMK-UHFFFAOYSA-N 0 1 333.819 2.968 10 30 EFEEMN C=C(C)CCC(=O)N1C[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]2C1 ZINC001672419472 1105828829 /nfs/dbraw/zinc/82/88/29/1105828829.db2.gz IYJCCYLCOWAULF-HDICACEKSA-N 0 1 341.430 2.944 10 30 EFEEMN C=C[C@@H]1CCCCN1C(=O)c1c(C)n[nH]c1I ZINC000897594164 1105838071 /nfs/dbraw/zinc/83/80/71/1105838071.db2.gz RVHBMHRTOFPFBM-SECBINFHSA-N 0 1 345.184 2.503 10 30 EFEEMN C=CCCC(=O)N[C@]1(CO)CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001672476571 1105840089 /nfs/dbraw/zinc/84/00/89/1105840089.db2.gz LCBBYOKZRKBHOO-UYAOXDASSA-N 0 1 346.446 2.722 10 30 EFEEMN C#CCCN1CCC[C@@](CO)(NC(=O)c2ccc(CC(C)C)s2)C1 ZINC001672486757 1105843089 /nfs/dbraw/zinc/84/30/89/1105843089.db2.gz MPXBJSWXEBTTRC-LJQANCHMSA-N 0 1 348.512 2.527 10 30 EFEEMN C=CCCCC(=O)N[C@@]1(CO)CCCN(Cc2cc(F)ccc2C)C1 ZINC001672496466 1105844788 /nfs/dbraw/zinc/84/47/88/1105844788.db2.gz UVSPKHNCQKNHFW-FQEVSTJZSA-N 0 1 348.462 2.934 10 30 EFEEMN C#CCCN1CCC[C@@](CO)(NC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001672502867 1105846619 /nfs/dbraw/zinc/84/66/19/1105846619.db2.gz AGHDCLQSVHSEJN-LJQANCHMSA-N 0 1 348.512 2.626 10 30 EFEEMN CO[C@H](C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#Cc1ccccc1 ZINC001672515132 1105853103 /nfs/dbraw/zinc/85/31/03/1105853103.db2.gz KWYCETIMECTJHZ-RLLQIKCJSA-N 0 1 340.467 2.528 10 30 EFEEMN Cc1cc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC(C)C)sn1 ZINC001672522076 1105855762 /nfs/dbraw/zinc/85/57/62/1105855762.db2.gz MYXHEROTFVKCLX-IRXDYDNUSA-N 0 1 331.485 2.676 10 30 EFEEMN CCC(CC)[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2CC#CCOC ZINC001672523623 1105858046 /nfs/dbraw/zinc/85/80/46/1105858046.db2.gz WAGDPMVCHFNVFQ-WDSOQIARSA-N 0 1 334.504 2.774 10 30 EFEEMN C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2CC(=O)NC(C)(C)CC ZINC001672529926 1105858488 /nfs/dbraw/zinc/85/84/88/1105858488.db2.gz GZKQZFVMABIAOD-IAGOWNOFSA-N 0 1 349.519 2.713 10 30 EFEEMN CCCC(CCC)C(=O)N1CCC[C@H]2[C@@H]1CCN2CC#CCOC ZINC001672530777 1105859779 /nfs/dbraw/zinc/85/97/79/1105859779.db2.gz MVLJBCMGNSHARK-OALUTQOASA-N 0 1 334.504 2.918 10 30 EFEEMN COCC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccsc1 ZINC001672531559 1105861316 /nfs/dbraw/zinc/86/13/16/1105861316.db2.gz WPNYRNVJMFQLEL-RYQLBKOJSA-N 0 1 346.496 2.567 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cn(C)nc1C ZINC001672537340 1105863210 /nfs/dbraw/zinc/86/32/10/1105863210.db2.gz HPRPCRNZVYNVJW-QZTJIDSGSA-N 0 1 344.503 2.896 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1cncn1C ZINC001672537629 1105864682 /nfs/dbraw/zinc/86/46/82/1105864682.db2.gz JDYRACBTOXWAHJ-IRXDYDNUSA-N 0 1 330.476 2.588 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1cncn1C ZINC001672537627 1105865008 /nfs/dbraw/zinc/86/50/08/1105865008.db2.gz JDYRACBTOXWAHJ-DLBZAZTESA-N 0 1 330.476 2.588 10 30 EFEEMN CC(F)(F)C(=O)N1CC[C@H](CCNCc2cc(F)ccc2C#N)C1 ZINC001672727691 1105887257 /nfs/dbraw/zinc/88/72/57/1105887257.db2.gz PHDIYDZAFOQNDS-LBPRGKRZSA-N 0 1 339.361 2.681 10 30 EFEEMN C#CCCCC(=O)N1CC[C@H](CCN[C@@H](C)c2nnc(C)s2)C1 ZINC001672778610 1105902452 /nfs/dbraw/zinc/90/24/52/1105902452.db2.gz QMXROIMXMVWUMY-ZFWWWQNUSA-N 0 1 334.489 2.539 10 30 EFEEMN C=CC(C)(C)C(=O)N1CC[C@H](CCNCc2csnc2OC)C1 ZINC001672838677 1105917495 /nfs/dbraw/zinc/91/74/95/1105917495.db2.gz DVDYXILFHNUYNE-ZDUSSCGKSA-N 0 1 337.489 2.692 10 30 EFEEMN C#CCN(C)Cc1ccccc1CNC(=O)c1ccc(OC)cc1C ZINC001672929759 1105940894 /nfs/dbraw/zinc/94/08/94/1105940894.db2.gz QAERQCZIDAYKBY-UHFFFAOYSA-N 0 1 336.435 2.999 10 30 EFEEMN COCC#CCN(C)Cc1ccccc1CNC(=O)[C@@H](C)C(C)C ZINC001672929588 1105941407 /nfs/dbraw/zinc/94/14/07/1105941407.db2.gz MPVGMZUQOGGIOT-KRWDZBQOSA-N 0 1 330.472 2.677 10 30 EFEEMN C#CCN(C)Cc1ccccc1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001672933956 1105942454 /nfs/dbraw/zinc/94/24/54/1105942454.db2.gz PGAUOGNYRGTYJK-UHFFFAOYSA-N 0 1 338.455 2.767 10 30 EFEEMN COCC#CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001672933842 1105942750 /nfs/dbraw/zinc/94/27/50/1105942750.db2.gz 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1112486643 /nfs/dbraw/zinc/48/66/43/1112486643.db2.gz NNRPAFDMDHFFEL-GBESFXJTSA-N 0 1 334.504 2.796 10 30 EFEEMN CC(C)C#CC(=O)N1CC[C@]2(C1)CCCN([C@@H](C)c1cnccn1)C2 ZINC001483830268 1112490934 /nfs/dbraw/zinc/49/09/34/1112490934.db2.gz MSDQMHYBVFOBQA-FXAWDEMLSA-N 0 1 340.471 2.512 10 30 EFEEMN C=CCCC(=O)N1CC[C@@]2(C1)CCCN([C@H](C)C(=O)NCCCC)C2 ZINC001483831383 1112492059 /nfs/dbraw/zinc/49/20/59/1112492059.db2.gz SBGJOYYMEGMJNM-XLIONFOSSA-N 0 1 349.519 2.572 10 30 EFEEMN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(CCOCC(F)(F)F)C2 ZINC001483831876 1112492630 /nfs/dbraw/zinc/49/26/30/1112492630.db2.gz XSYOFZVPQYVADM-INIZCTEOSA-N 0 1 348.409 2.846 10 30 EFEEMN COCC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC34CCCC4)C2)C1 ZINC001483833496 1112494422 /nfs/dbraw/zinc/49/44/22/1112494422.db2.gz ZRSAYCXTPUZNJI-AZUAARDMSA-N 0 1 344.499 2.531 10 30 EFEEMN C=C(C)CCC(=O)N1CC[C@]2(CCN(Cc3cnc(C)nc3)C2)C1 ZINC001483843348 1112501539 /nfs/dbraw/zinc/50/15/39/1112501539.db2.gz UWRKAQCQCGIPMJ-IBGZPJMESA-N 0 1 328.460 2.566 10 30 EFEEMN C=CCCCC(=O)N1CC[C@]2(CCN(Cc3ccc(OC)nc3)C2)C1 ZINC001483847272 1112508247 /nfs/dbraw/zinc/50/82/47/1112508247.db2.gz XYFCMOMLZVTCEI-FQEVSTJZSA-N 0 1 343.471 2.871 10 30 EFEEMN C#CCCCC(=O)N1CC[C@@]2(CC[N@H+](Cc3cnc(C)s3)C2)C1 ZINC001483839728 1112515081 /nfs/dbraw/zinc/51/50/81/1112515081.db2.gz YTDNYAVAKPPCMQ-GOSISDBHSA-N 0 1 331.485 2.679 10 30 EFEEMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2c(C3CCC3)cnn2C)C1 ZINC001483866082 1112524977 /nfs/dbraw/zinc/52/49/77/1112524977.db2.gz XROZBQLDOFLQQG-AWEZNQCLSA-N 0 1 330.476 2.799 10 30 EFEEMN C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001483877943 1112537213 /nfs/dbraw/zinc/53/72/13/1112537213.db2.gz KXYYHCRXAGHKDP-NVXWUHKLSA-N 0 1 349.519 2.521 10 30 EFEEMN C=CCC[C@@H](C)N1CC(N(C)C(=O)COc2cccc(OC)c2)C1 ZINC001483880347 1112538337 /nfs/dbraw/zinc/53/83/37/1112538337.db2.gz MLVQXQUEUYJBOA-OAHLLOKOSA-N 0 1 332.444 2.571 10 30 EFEEMN C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001483881330 1112538855 /nfs/dbraw/zinc/53/88/55/1112538855.db2.gz FHEUXFNCZPTJRD-ACJLOTCBSA-N 0 1 332.419 2.627 10 30 EFEEMN C#CCOc1ccc(C(=O)N(C)C2CN(CCCC(C)C)C2)cc1 ZINC001483881259 1112538874 /nfs/dbraw/zinc/53/88/74/1112538874.db2.gz HTMUUZYXHUMDQY-UHFFFAOYSA-N 0 1 328.456 2.891 10 30 EFEEMN CC(C)C#CC(=O)N1CC[C@H](NCc2nc(C(C)C)ns2)C[C@@H]1C ZINC001483902249 1112543933 /nfs/dbraw/zinc/54/39/33/1112543933.db2.gz QNGBBINZXMKEAE-GJZGRUSLSA-N 0 1 348.516 2.790 10 30 EFEEMN C=CCC[C@H](C)N1CC(N(C)C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001483891611 1112550825 /nfs/dbraw/zinc/55/08/25/1112550825.db2.gz LSYCRQUFQOKNRD-KBPBESRZSA-N 0 1 332.492 2.702 10 30 EFEEMN C=CCC[C@H](C)N1CC(N(C)C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001483891612 1112550849 /nfs/dbraw/zinc/55/08/49/1112550849.db2.gz LSYCRQUFQOKNRD-KGLIPLIRSA-N 0 1 332.492 2.702 10 30 EFEEMN C=C(Br)CNC[C@H]1CCCN1C(=O)CSCCC ZINC001483924534 1112563335 /nfs/dbraw/zinc/56/33/35/1112563335.db2.gz OBGUVOBQINDEEL-GFCCVEGCSA-N 0 1 335.311 2.619 10 30 EFEEMN C#CCCCC(=O)N1CC[C@@H](NCc2csc(COC)n2)C[C@@H]1C ZINC001483905570 1112565591 /nfs/dbraw/zinc/56/55/91/1112565591.db2.gz PHEJZIJBSFMZMG-LSDHHAIUSA-N 0 1 349.500 2.562 10 30 EFEEMN C#CCCCC(=O)N1CC[C@H](NCc2csc(COC)n2)C[C@H]1C ZINC001483905564 1112566054 /nfs/dbraw/zinc/56/60/54/1112566054.db2.gz PHEJZIJBSFMZMG-CABCVRRESA-N 0 1 349.500 2.562 10 30 EFEEMN C=CCC1(C(=O)N2CCC[C@H]2CNCc2cc3n(n2)CCC3)CCC1 ZINC001483943588 1112584165 /nfs/dbraw/zinc/58/41/65/1112584165.db2.gz UPYNSPGFYLXSEK-SFHVURJKSA-N 0 1 342.487 2.656 10 30 EFEEMN C=CCC1(C(=O)N2CCC[C@@H]2CNCc2ccn(C)n2)CCCC1 ZINC001483958077 1112589091 /nfs/dbraw/zinc/58/90/91/1112589091.db2.gz NHFUOHIHBVOFJP-QGZVFWFLSA-N 0 1 330.476 2.637 10 30 EFEEMN CC#CCCCC(=O)NC1(C)CCN([C@H](C)c2n[nH]c(CC)n2)CC1 ZINC001483971249 1112602934 /nfs/dbraw/zinc/60/29/34/1112602934.db2.gz AWNHXXBQSYGHEY-OAHLLOKOSA-N 0 1 345.491 2.592 10 30 EFEEMN C=CCCO[C@@H](C)C(=O)NC1(C)CCN(Cc2conc2CC)CC1 ZINC001483962562 1112605351 /nfs/dbraw/zinc/60/53/51/1112605351.db2.gz DPPYTTYTGUMLHF-HNNXBMFYSA-N 0 1 349.475 2.689 10 30 EFEEMN C#CCN(C(=O)[C@@H]1CC1(C)C)C1CCN(Cc2cccnc2)CC1 ZINC001483982806 1112613245 /nfs/dbraw/zinc/61/32/45/1112613245.db2.gz GVRGDRNQGXDJGX-SFHVURJKSA-N 0 1 325.456 2.554 10 30 EFEEMN C#CCN(C(=O)[C@H]1CC1(C)C)C1CCN(Cc2cccnc2)CC1 ZINC001483982805 1112613460 /nfs/dbraw/zinc/61/34/60/1112613460.db2.gz GVRGDRNQGXDJGX-GOSISDBHSA-N 0 1 325.456 2.554 10 30 EFEEMN CCCc1ccc(C(=O)NC2(C)CCN(CC#CCOC)CC2)cc1 ZINC001483973117 1112614732 /nfs/dbraw/zinc/61/47/32/1112614732.db2.gz SKXRQGLBYFGHIT-UHFFFAOYSA-N 0 1 342.483 2.873 10 30 EFEEMN C#CCN(C(=O)C(C)(C)F)C1CCN(Cc2c(C)noc2CC)CC1 ZINC001483977743 1112619585 /nfs/dbraw/zinc/61/95/85/1112619585.db2.gz CHSXAVYLKWWBHL-UHFFFAOYSA-N 0 1 349.450 2.720 10 30 EFEEMN C#CCN(C(=O)C(C)(C)F)C1CCN(Cc2ncccc2C)CC1 ZINC001483978000 1112620236 /nfs/dbraw/zinc/62/02/36/1112620236.db2.gz MPFJMBMUDWOTTR-UHFFFAOYSA-N 0 1 331.435 2.564 10 30 EFEEMN C#CCN(C(=O)[C@@H](C)SC)C1CCN(CCC(F)(F)F)CC1 ZINC001483979779 1112622441 /nfs/dbraw/zinc/62/24/41/1112622441.db2.gz BXTFEIVMFBTUFC-GFCCVEGCSA-N 0 1 336.423 2.617 10 30 EFEEMN C#CCN(C(=O)c1ccccc1O)C1CCN(Cc2ccccn2)CC1 ZINC001483981210 1112623733 /nfs/dbraw/zinc/62/37/33/1112623733.db2.gz VCSUVELQVQXVHL-UHFFFAOYSA-N 0 1 349.434 2.527 10 30 EFEEMN C#CCN(C(=O)[C@H](C)SC)C1CCN(Cc2cncc(C)c2)CC1 ZINC001483981542 1112624292 /nfs/dbraw/zinc/62/42/92/1112624292.db2.gz ZOTSQRBNAHOWCC-INIZCTEOSA-N 0 1 345.512 2.568 10 30 EFEEMN C#CCN(C(=O)CCO[C@H](C)CC(C)C)C1CCN(CC#CC)CC1 ZINC001483984283 1112629180 /nfs/dbraw/zinc/62/91/80/1112629180.db2.gz MANRKLHDJRIRIY-LJQANCHMSA-N 0 1 346.515 2.777 10 30 EFEEMN C#CCN(C(=O)/C=C(/C)CC)C1CCN(Cc2ccccn2)CC1 ZINC001483984222 1112629456 /nfs/dbraw/zinc/62/94/56/1112629456.db2.gz LHYMGKVGEGORCO-ICFOKQHNSA-N 0 1 325.456 2.864 10 30 EFEEMN C#CCN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C1CCN(CC#C)CC1 ZINC001483984443 1112630124 /nfs/dbraw/zinc/63/01/24/1112630124.db2.gz ZIDNHAYMUFKMAZ-RTBURBONSA-N 0 1 326.484 2.784 10 30 EFEEMN C#CCN(C(=O)[C@@H](F)C(C)C)C1CCN(Cc2oc(C)nc2C)CC1 ZINC001483986500 1112631218 /nfs/dbraw/zinc/63/12/18/1112631218.db2.gz HXVICJVMBCECFU-SFHVURJKSA-N 0 1 349.450 2.712 10 30 EFEEMN C#CCN(C(=O)[C@@H]1CC[C@@H](F)C1)C1CCN(C/C=C\Cl)CC1 ZINC001483986438 1112631491 /nfs/dbraw/zinc/63/14/91/1112631491.db2.gz FWPSRRNLBRRPHL-SBEDSWMFSA-N 0 1 326.843 2.803 10 30 EFEEMN C#CCN(C(=O)c1cc(F)ccc1Cl)C1CCN(CC#C)CC1 ZINC001483987170 1112632724 /nfs/dbraw/zinc/63/27/24/1112632724.db2.gz GUEZULXSYQRRNJ-UHFFFAOYSA-N 0 1 332.806 2.652 10 30 EFEEMN C#CCN(C(=O)[C@@H]1CC[C@H](C)C1)C1CCN(Cc2cnoc2C)CC1 ZINC001483988387 1112633793 /nfs/dbraw/zinc/63/37/93/1112633793.db2.gz ZXAQWCPIRYGFKJ-DOTOQJQBSA-N 0 1 343.471 2.845 10 30 EFEEMN C[C@@H](C#N)C(=O)N[C@@H](CNCc1nc2ccccc2o1)C1CCCC1 ZINC001483995278 1112645106 /nfs/dbraw/zinc/64/51/06/1112645106.db2.gz JKSDXDGPLMGPSZ-BBRMVZONSA-N 0 1 340.427 2.752 10 30 EFEEMN C=C(Cl)CNC[C@H](NC(=O)c1cncc2[nH]cnc21)C1CCCC1 ZINC001484000723 1112651204 /nfs/dbraw/zinc/65/12/04/1112651204.db2.gz IWCYBPTXQFVCNS-AWEZNQCLSA-N 0 1 347.850 2.589 10 30 EFEEMN C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCCC ZINC001484019145 1112670279 /nfs/dbraw/zinc/67/02/79/1112670279.db2.gz TWIPONRZDFDGAL-ZACQAIPSSA-N 0 1 349.519 2.569 10 30 EFEEMN CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#CCOC)CCCC1 ZINC001484021483 1112674360 /nfs/dbraw/zinc/67/43/60/1112674360.db2.gz FDZVHMYHMMYKMU-MSOLQXFVSA-N 0 1 332.488 2.672 10 30 EFEEMN COCC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)C1CC1)C2 ZINC001484023216 1112676614 /nfs/dbraw/zinc/67/66/14/1112676614.db2.gz YCRINTJFXUBLTH-GHTZIAJQSA-N 0 1 346.515 2.777 10 30 EFEEMN C[C@H](c1cccc(F)c1)N1CC[C@@](C)(NC(=O)CSCC#N)C1 ZINC001484032142 1112678913 /nfs/dbraw/zinc/67/89/13/1112678913.db2.gz HRGDQJUQUNSVJD-CXAGYDPISA-N 0 1 335.448 2.724 10 30 EFEEMN CC(C)Oc1ccccc1CN1CC[C@](C)(NC(=O)[C@H](C)C#N)C1 ZINC001484036246 1112687765 /nfs/dbraw/zinc/68/77/65/1112687765.db2.gz CXZIKFFEKNLGIQ-BEFAXECRSA-N 0 1 329.444 2.714 10 30 EFEEMN C=CCOCC(=O)N[C@]1(C)CCN(Cc2c(C)cccc2Cl)C1 ZINC001484036808 1112688452 /nfs/dbraw/zinc/68/84/52/1112688452.db2.gz INKDRMFXHRKHAJ-GOSISDBHSA-N 0 1 336.863 2.932 10 30 EFEEMN CC(C)Oc1ccccc1CN1CC[C@@](C)(NC(=O)[C@H](C)C#N)C1 ZINC001484036247 1112688969 /nfs/dbraw/zinc/68/89/69/1112688969.db2.gz CXZIKFFEKNLGIQ-DNVCBOLYSA-N 0 1 329.444 2.714 10 30 EFEEMN C=C(C)CCC(=O)N[C@@]1(C)CCN([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC001484044767 1112694729 /nfs/dbraw/zinc/69/47/29/1112694729.db2.gz LVCQOULNSQTAFX-PXNSSMCTSA-N 0 1 349.519 2.714 10 30 EFEEMN C=CCN1CC[C@@H](N2CCC[C@](C)(CNC(=O)CCCCC)C2)C1=O ZINC001484150846 1112846156 /nfs/dbraw/zinc/84/61/56/1112846156.db2.gz YSDZXOWJAXKTTE-YLJYHZDGSA-N 0 1 349.519 2.572 10 30 EFEEMN C=CCNC(=O)[C@H](C)N1CCC[C@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001484158076 1112852399 /nfs/dbraw/zinc/85/23/99/1112852399.db2.gz USTSDIHQAIIFCD-OXJNMPFZSA-N 0 1 349.519 2.642 10 30 EFEEMN C[C@@]1(CNC(=O)C#CC2CC2)CCCN(CC#Cc2ccccc2)C1 ZINC001484158910 1112854246 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346.446 2.534 10 30 EFEEMN C#CCN(C(=O)CO[C@H](C)CC)C1CCN(Cc2ccsc2)CC1 ZINC001324384625 1329622386 /nfs/dbraw/zinc/62/23/86/1329622386.db2.gz MXQBEMKLNXIFMX-MRXNPFEDSA-N 0 1 348.512 2.989 10 30 EFEEMN C#CCN(C(=O)/C=C(\C)CC)C1CCN(Cc2cnoc2C)CC1 ZINC001324387683 1329623057 /nfs/dbraw/zinc/62/30/57/1329623057.db2.gz WOCFKNRPIYOPAT-NTCAYCPXSA-N 0 1 329.444 2.766 10 30 EFEEMN C#CCN(C(=O)C[C@H]1CCC(F)(F)C1)C1CCN(CC#CC)CC1 ZINC001324396920 1329623578 /nfs/dbraw/zinc/62/35/78/1329623578.db2.gz JYASNIDXWWTILJ-MRXNPFEDSA-N 0 1 336.426 2.761 10 30 EFEEMN C#CCN(C(=O)[C@@H]1CC[C@@H](CC)O1)C1CCN(C/C=C\Cl)CC1 ZINC001324397966 1329623812 /nfs/dbraw/zinc/62/38/12/1329623812.db2.gz WVKOSKQTCKPREG-PABLWJOXSA-N 0 1 338.879 2.623 10 30 EFEEMN C#CCN(C(=O)CCC(F)F)C1CCN(Cc2cccnc2C)CC1 ZINC001324407135 1329624731 /nfs/dbraw/zinc/62/47/31/1329624731.db2.gz GLOYCNHXDRRISG-UHFFFAOYSA-N 0 1 349.425 2.862 10 30 EFEEMN C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(Cc2c(C)onc2CC)CC1 ZINC001324413235 1329624935 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