smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001305793583 1069310045 /nfs/dbraw/zinc/31/00/45/1069310045.db2.gz YZPVBGQEHYEIFE-SAQVGAHLSA-N 0 0 473.593 3.465 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001305793761 1069310297 /nfs/dbraw/zinc/31/02/97/1069310297.db2.gz ZVIMMCJHYGNPID-LMMKCTJWSA-N 0 0 478.638 3.067 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CC)C2)n1CCc1ccc(NC(C)=O)cc1 ZINC001305793784 1069310594 /nfs/dbraw/zinc/31/05/94/1069310594.db2.gz WAAOORAFFMEOGP-OAQYLSRUSA-N 0 0 456.591 3.013 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1C[C@H](C)CN1CCOCC1 ZINC001305793904 1069310885 /nfs/dbraw/zinc/31/08/85/1069310885.db2.gz GZCYZURHMGNTET-HYBUGGRVSA-N 0 0 498.672 3.051 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1CCCOC(F)(F)F ZINC001305793937 1069311015 /nfs/dbraw/zinc/31/10/15/1069311015.db2.gz HFCUWPUPPYKXNA-OAHLLOKOSA-N 0 0 490.552 3.466 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001305794408 1069311772 /nfs/dbraw/zinc/31/17/72/1069311772.db2.gz BIGLRTIUUSOUDT-MHECFPHRSA-N 0 0 475.659 3.419 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCOC[C@@H]2C)n1CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001305794737 1069312702 /nfs/dbraw/zinc/31/27/02/1069312702.db2.gz FVNQBEMISQEBDS-KRWDZBQOSA-N 0 0 473.618 3.417 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1Cc1ccccc1OCC(C)C ZINC001305794702 1069312944 /nfs/dbraw/zinc/31/29/44/1069312944.db2.gz DXYNELYINHFBMS-SANMLTNESA-N 0 0 485.629 3.275 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1Cc1sc(C)nc1C ZINC001305794774 1069313167 /nfs/dbraw/zinc/31/31/67/1069313167.db2.gz MRCIAGPMHRLXTG-MRXNPFEDSA-N 0 0 475.644 3.353 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1Cc1cc(C)nn1C ZINC001305794795 1069313198 /nfs/dbraw/zinc/31/31/98/1069313198.db2.gz MZZHVLGYBJFFMM-NRFANRHFSA-N 0 0 487.555 3.143 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1CC(C)(C)C(F)(F)F ZINC001305795207 1069314208 /nfs/dbraw/zinc/31/42/08/1069314208.db2.gz PASMKVLGWQZYPP-JKSUJKDBSA-N 0 0 461.529 3.169 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cnn(CC)c3)C2)n1C[C@H]1CCCCS1 ZINC001305795145 1069314324 /nfs/dbraw/zinc/31/43/24/1069314324.db2.gz OHBDXFAVMHRUEY-WOJBJXKFSA-N 0 0 475.663 3.277 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCOCC3(CC3)C2)n1C[C@H](C)Oc1ccccc1F ZINC001305795601 1069314530 /nfs/dbraw/zinc/31/45/30/1069314530.db2.gz MXVBBCCGPLHEBZ-KRWDZBQOSA-N 0 0 459.566 3.420 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C)o3)C2)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001305795538 1069314855 /nfs/dbraw/zinc/31/48/55/1069314855.db2.gz QBMFODYKTXDEND-UWJYYQICSA-N 0 0 497.600 3.242 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1CCSC(C)C ZINC001305795799 1069315215 /nfs/dbraw/zinc/31/52/15/1069315215.db2.gz RKUOTLXVTQZTOR-INIZCTEOSA-N 0 0 452.650 3.373 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1Cc1cccc(COC)c1 ZINC001305795616 1069315275 /nfs/dbraw/zinc/31/52/75/1069315275.db2.gz NBQIXBXJDGOCLF-UHFFFAOYSA-N 0 0 455.603 3.398 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1CCC(=O)NC1CCCCC1 ZINC001305795850 1069315292 /nfs/dbraw/zinc/31/52/92/1069315292.db2.gz PENXIKMNPRZDCZ-UHFFFAOYSA-N 0 0 474.650 3.042 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cnn(C)c3)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001305796446 1069316206 /nfs/dbraw/zinc/31/62/06/1069316206.db2.gz VZVMKIDZKIKWIN-JTSKRJEESA-N 0 0 483.592 3.451 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305796558 1069316478 /nfs/dbraw/zinc/31/64/78/1069316478.db2.gz XSVKSQRPKTYEGY-SFHVURJKSA-N 0 0 490.511 3.412 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1CCC1CCC(OC)CC1 ZINC001305796603 1069316519 /nfs/dbraw/zinc/31/65/19/1069316519.db2.gz VKOZISFTIDYEQH-IFLJIVDFSA-N 0 0 477.650 3.176 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC(=O)N(C)Cc1ccccc1 ZINC001305796838 1069316892 /nfs/dbraw/zinc/31/68/92/1069316892.db2.gz ZJLPQGKVTCWNAZ-JOCHJYFZSA-N 0 0 494.596 3.026 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@H]1CC[C@@H](F)C1 ZINC001305796767 1069317000 /nfs/dbraw/zinc/31/70/00/1069317000.db2.gz YGKCMPLBRAJLIM-JZXOWHBKSA-N 0 0 477.585 3.419 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@@H]1CCC[C@H]1OC ZINC001305796808 1069317026 /nfs/dbraw/zinc/31/70/26/1069317026.db2.gz YQKLCQUDEKAXNY-UHOSZYNNSA-N 0 0 476.647 3.354 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCOCC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001305796666 1069317177 /nfs/dbraw/zinc/31/71/77/1069317177.db2.gz WZUQAAJPLGZPBI-UHFFFAOYSA-N 0 0 468.602 3.210 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCSCc1ccccc1F ZINC001305797700 1069318863 /nfs/dbraw/zinc/31/88/63/1069318863.db2.gz HEOZCPOXNZYAJP-UZLBHIALSA-N 0 0 463.623 3.476 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001305798208 1069319634 /nfs/dbraw/zinc/31/96/34/1069319634.db2.gz LPGMXERHNXOYEG-UHFFFAOYSA-N 0 0 471.606 3.317 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H](C)Cc1ccc(OC)cc1 ZINC001305798662 1069319901 /nfs/dbraw/zinc/31/99/01/1069319901.db2.gz PYDSKIHETKLWBE-XQFWAAQXSA-N 0 0 496.656 3.046 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 ZINC001305799173 1069320671 /nfs/dbraw/zinc/32/06/71/1069320671.db2.gz FXKOMWRLKYJCEQ-YDHSSHFGSA-N 0 0 465.664 3.112 20 0 JGADRN CCC(CC)NC(=O)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1C[C@H]1CCOC[C@@H]1C ZINC001305799242 1069320700 /nfs/dbraw/zinc/32/07/00/1069320700.db2.gz BAWRRMJBMMDACL-JJRVBVJISA-N 0 0 451.522 3.389 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001305799514 1069320716 /nfs/dbraw/zinc/32/07/16/1069320716.db2.gz VUQXCTKJYBCESW-JENIJYKNSA-N 0 0 492.690 3.253 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 ZINC001305799171 1069320759 /nfs/dbraw/zinc/32/07/59/1069320759.db2.gz FXKOMWRLKYJCEQ-SELNLUPBSA-N 0 0 465.664 3.112 20 0 JGADRN CCC(CC)NC(=O)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1C[C@@H]1CCOC[C@H]1C ZINC001305799243 1069320774 /nfs/dbraw/zinc/32/07/74/1069320774.db2.gz BAWRRMJBMMDACL-JKIFEVAISA-N 0 0 451.522 3.389 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCN(C)c1ccccc1 ZINC001305799429 1069320826 /nfs/dbraw/zinc/32/08/26/1069320826.db2.gz ZEHNAEDAZYMPNB-FQEVSTJZSA-N 0 0 499.660 3.436 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001305799857 1069321343 /nfs/dbraw/zinc/32/13/43/1069321343.db2.gz XTHKQSDXYNBOOV-KUHUBIRLSA-N 0 0 467.973 3.275 20 0 JGADRN CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001305800184 1069322025 /nfs/dbraw/zinc/32/20/25/1069322025.db2.gz GSAJUKTWSRDJMO-WOJBJXKFSA-N 0 0 490.649 3.070 20 0 JGADRN CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001305800182 1069322060 /nfs/dbraw/zinc/32/20/60/1069322060.db2.gz GSAJUKTWSRDJMO-UXHICEINSA-N 0 0 490.649 3.070 20 0 JGADRN CCC(CC)NC(=O)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCc1nccs1 ZINC001305800336 1069322087 /nfs/dbraw/zinc/32/20/87/1069322087.db2.gz HZWYMCRHIXHCGW-CQSZACIVSA-N 0 0 450.519 3.416 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001305800343 1069322548 /nfs/dbraw/zinc/32/25/48/1069322548.db2.gz LWOBGEHCSFIVOA-CYBMUJFWSA-N 0 0 486.568 3.059 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001305800655 1069322644 /nfs/dbraw/zinc/32/26/44/1069322644.db2.gz KYMBGPCPUXSXCL-TYCQWZJGSA-N 0 0 488.633 3.409 20 0 JGADRN CCC(CC)NC(=O)c1nnc(Nc2cnn(C)c2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001305800832 1069322693 /nfs/dbraw/zinc/32/26/93/1069322693.db2.gz NCJVVKLVGKDHQI-LJQANCHMSA-N 0 0 454.579 3.494 20 0 JGADRN CCC(CC)NC(=O)c1nnc(Nc2cnn(C)c2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC001305801264 1069323539 /nfs/dbraw/zinc/32/35/39/1069323539.db2.gz REJGCSKPQXEMOF-QFIPXVFZSA-N 0 0 480.617 3.056 20 0 JGADRN CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCc2ccccc2)CC1)OC ZINC001305801314 1069323717 /nfs/dbraw/zinc/32/37/17/1069323717.db2.gz RZVOMUJLTGDELE-NRFANRHFSA-N 0 0 455.603 3.167 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1Cc1cccn(CC)c1=O ZINC001305801636 1069324048 /nfs/dbraw/zinc/32/40/48/1069324048.db2.gz FGWHAANWBMAJMF-FGZHOGPDSA-N 0 0 480.588 3.368 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001305801748 1069324767 /nfs/dbraw/zinc/32/47/67/1069324767.db2.gz VWVDSQHACITSMF-SFHVURJKSA-N 0 0 484.670 3.309 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC(=O)NCCc1ccccc1 ZINC001305801669 1069324846 /nfs/dbraw/zinc/32/48/46/1069324846.db2.gz GCIMPXBWGRIHMD-HDICACEKSA-N 0 0 490.599 3.283 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@](C)(O)c1ccco1 ZINC001305802487 1069326005 /nfs/dbraw/zinc/32/60/05/1069326005.db2.gz ORYYLXWBWZKSLU-WAWZGNHOSA-N 0 0 457.497 3.332 20 0 JGADRN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1)Oc1ccccc1F ZINC001305802615 1069326139 /nfs/dbraw/zinc/32/61/39/1069326139.db2.gz GMUUOCQUJQVOCO-IBGZPJMESA-N 0 0 488.608 3.154 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](OC)[C@@H](OC)C2)n1Cc1cc(C2CC2)ccc1F ZINC001305803005 1069327147 /nfs/dbraw/zinc/32/71/47/1069327147.db2.gz XAHYLTFKCGQNMZ-OYRHEFFESA-N 0 0 459.566 3.111 20 0 JGADRN CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)OC ZINC001305803779 1069327903 /nfs/dbraw/zinc/32/79/03/1069327903.db2.gz CKAATLWOAQEDNQ-MOPGFXCFSA-N 0 0 452.563 3.005 20 0 JGADRN CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1)OC ZINC001305803700 1069328054 /nfs/dbraw/zinc/32/80/54/1069328054.db2.gz NORJZSMSFAAPAF-WOJBJXKFSA-N 0 0 452.563 3.005 20 0 JGADRN CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)OC ZINC001305803786 1069328281 /nfs/dbraw/zinc/32/82/81/1069328281.db2.gz CKAATLWOAQEDNQ-RTBURBONSA-N 0 0 452.563 3.005 20 0 JGADRN CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(Cc2cscn2)CC1)OC ZINC001305803948 1069328419 /nfs/dbraw/zinc/32/84/19/1069328419.db2.gz PGPMZHWEDFSYGV-OAQYLSRUSA-N 0 0 483.642 3.351 20 0 JGADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1)NC(=O)OC(C)(C)C ZINC001305804415 1069329545 /nfs/dbraw/zinc/32/95/45/1069329545.db2.gz HEQCXHXVDSLVFN-FUHWJXTLSA-N 0 0 476.626 3.279 20 0 JGADRN CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC001305804648 1069329922 /nfs/dbraw/zinc/32/99/22/1069329922.db2.gz HWXDTEYPFJXDJL-TZIWHRDSSA-N 0 0 463.586 3.061 20 0 JGADRN CC[C@@H](Cn1c(C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)NC(=O)OC(C)(C)C ZINC001305805250 1069331571 /nfs/dbraw/zinc/33/15/71/1069331571.db2.gz AWFXOKFTIKEICX-SFHVURJKSA-N 0 0 450.534 3.495 20 0 JGADRN 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/nfs/dbraw/zinc/03/73/41/1065037341.db2.gz PMIDBDUYTNQVFC-SFHVURJKSA-N 0 0 460.575 3.260 20 0 JGADRN COc1cc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CC(F)(F)Br)cc(OC)c1OC ZINC001299841560 1065038112 /nfs/dbraw/zinc/03/81/12/1065038112.db2.gz YIESKTNDHCUQLR-LBPRGKRZSA-N 0 0 491.333 3.431 20 0 JGADRN COc1cc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C)N2CCOCC2)ccc1OC(C)C ZINC001299841531 1065038404 /nfs/dbraw/zinc/03/84/04/1065038404.db2.gz WXPINIPEQFHPQN-IFMALSPDSA-N 0 0 487.645 3.467 20 0 JGADRN COc1cc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCO2)ccc1OC(C)C ZINC001299841545 1065038475 /nfs/dbraw/zinc/03/84/75/1065038475.db2.gz XGYOLMNRGMLKGC-VWPQPMDRSA-N 0 0 487.645 3.465 20 0 JGADRN COc1cc(-c2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)ccc1OC(C)C ZINC001299841585 1065038855 /nfs/dbraw/zinc/03/88/55/1065038855.db2.gz ZFGINUHBMKAATJ-ICSRJNTNSA-N 0 0 492.642 3.181 20 0 JGADRN COc1cc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCCN2CCOCC2)cc(OC)c1OC ZINC001299842607 1065039163 /nfs/dbraw/zinc/03/91/63/1065039163.db2.gz APHLIRQWBARITP-HDICACEKSA-N 0 0 491.658 3.023 20 0 JGADRN COc1cc(-c2nnc(N3C[C@@H](C)CC[C@H]3C)n2CCCN2CCOC2=O)cc(OC)c1OC ZINC001299843108 1065039853 /nfs/dbraw/zinc/03/98/53/1065039853.db2.gz HDQWEELMRYJNRX-DLBZAZTESA-N 0 0 473.574 3.438 20 0 JGADRN COc1cc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC(=O)NCC(F)F)ccc1OC(C)C ZINC001299843209 1065040533 /nfs/dbraw/zinc/04/05/33/1065040533.db2.gz AYZCFKWLWNILJM-HUUCEWRRSA-N 0 0 451.518 3.214 20 0 JGADRN COc1cc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC2([S@](C)=O)CC2)ccc1OC(C)C ZINC001299843471 1065041138 /nfs/dbraw/zinc/04/11/38/1065041138.db2.gz JXBQKUWNRHPDTF-DLKQWWBSSA-N 0 0 462.616 3.266 20 0 JGADRN COc1cc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H]2CCC[C@H]2C)cc(OC)c1OC ZINC001299843724 1065041983 /nfs/dbraw/zinc/04/19/83/1065041983.db2.gz GAEVQRONDRFELP-IKGGRYGDSA-N 0 0 457.575 3.074 20 0 JGADRN COc1cc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299843727 1065041998 /nfs/dbraw/zinc/04/19/98/1065041998.db2.gz GAEVQRONDRFELP-YESZJQIVSA-N 0 0 457.575 3.074 20 0 JGADRN COc1cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCn2cccn2)cc(OC)c1OC ZINC001299843858 1065042507 /nfs/dbraw/zinc/04/25/07/1065042507.db2.gz MSDQBEJOAJNRNE-QGZVFWFLSA-N 0 0 470.574 3.261 20 0 JGADRN COc1cc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H]2CCO[C@@H](C)C2)ccc1OC(C)C ZINC001299844639 1065043975 /nfs/dbraw/zinc/04/39/75/1065043975.db2.gz OJLNLVQEJKQHMI-CEXWTWQISA-N 0 0 471.602 3.223 20 0 JGADRN COc1cc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC2([S@@](C)=O)CC2)cc(OC)c1OC ZINC001299844753 1065044379 /nfs/dbraw/zinc/04/43/79/1065044379.db2.gz VEOGVRXCZDXBNG-MFYIYRQVSA-N 0 0 462.616 3.364 20 0 JGADRN COc1cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCS(C)(=O)=O)ccc1OC(C)C ZINC001299845084 1065044938 /nfs/dbraw/zinc/04/49/38/1065044938.db2.gz ZDBXCUFVIOKDGQ-QGZVFWFLSA-N 0 0 480.631 3.179 20 0 JGADRN COc1cc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2nccn2C(F)F)ccc1OC(C)C ZINC001299844968 1065044976 /nfs/dbraw/zinc/04/49/76/1065044976.db2.gz RHRLVOMMDVVBJH-HNNXBMFYSA-N 0 0 489.527 3.048 20 0 JGADRN O=C(NCC[C@H]1CSc2ccccc2O1)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC001299845169 1065045336 /nfs/dbraw/zinc/04/53/36/1065045336.db2.gz AEOAPLVKTRUMJE-KRWDZBQOSA-N 0 0 452.511 3.219 20 0 JGADRN COc1cc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@](C)(O)C2CC2)cc(OC)c1OC ZINC001299845229 1065045364 /nfs/dbraw/zinc/04/53/64/1065045364.db2.gz ZLVXFMRRNYAMOV-XAPDGSRCSA-N 0 0 462.616 3.462 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@@H](C)C3)n2CC2(CS(C)(=O)=O)CC2)ccc1OC(C)C ZINC001299848168 1065050170 /nfs/dbraw/zinc/05/01/70/1065050170.db2.gz KPQYZBAXTFKPHA-QGZVFWFLSA-N 0 0 462.616 3.412 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@H](c4cnn(C)c4)C3)n2C[C@@](C)(O)C(C)C)cc(OC)c1OC ZINC001299848148 1065050336 /nfs/dbraw/zinc/05/03/36/1065050336.db2.gz KJKGUQACDHTGMX-SSOJOUAXSA-N 0 0 484.601 3.105 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@]2(O)CCSC2)ccc1OC(C)C ZINC001299848552 1065051136 /nfs/dbraw/zinc/05/11/36/1065051136.db2.gz TXTOJFKVRCMHOD-CODAWKSHSA-N 0 0 476.643 3.470 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(=O)NCc2ccco2)cc(OC)c1OC ZINC001299848604 1065051424 /nfs/dbraw/zinc/05/14/24/1065051424.db2.gz UTXPNLFMSVKXGO-DLBZAZTESA-N 0 0 483.569 3.363 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@@H](c4ccco4)C3)n2CCCC(=O)N(C)C)cc(OC)c1OC ZINC001299848646 1065051565 /nfs/dbraw/zinc/05/15/65/1065051565.db2.gz VEIFXWQQUSKFRN-QGZVFWFLSA-N 0 0 483.569 3.426 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](OC)C3)n2CCc2ccncc2)cc(OC)c1OC ZINC001299849843 1065052390 /nfs/dbraw/zinc/05/23/90/1065052390.db2.gz AIOIBUDXNQMKNR-IBGZPJMESA-N 0 0 453.543 3.224 20 0 JGADRN COc1cc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2Cc2ccco2)ccc1OC(C)C ZINC001299850252 1065053877 /nfs/dbraw/zinc/05/38/77/1065053877.db2.gz GUUXCXXUPWSNCB-UHFFFAOYSA-N 0 0 474.583 3.396 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CCOC(C)C)ccc1OC(C)C ZINC001299850678 1065054894 /nfs/dbraw/zinc/05/48/94/1065054894.db2.gz JJADMBMVTZARHD-FQEVSTJZSA-N 0 0 459.591 3.271 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H](C)SC)cc(OC)c1OC ZINC001299850675 1065054914 /nfs/dbraw/zinc/05/49/14/1065054914.db2.gz JIHFLEHYQQLPIF-SJLPKXTDSA-N 0 0 491.658 3.463 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CCOC(C)C)ccc1OC(C)C ZINC001299850680 1065054938 /nfs/dbraw/zinc/05/49/38/1065054938.db2.gz JJADMBMVTZARHD-HXUWFJFHSA-N 0 0 459.591 3.271 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC(C)(F)F)cc(OC)c1OC ZINC001299851396 1065056707 /nfs/dbraw/zinc/05/67/07/1065056707.db2.gz QSPAGGHCJDHAJZ-AWEZNQCLSA-N 0 0 467.517 3.108 20 0 JGADRN COc1cc(-c2nnc(N3CCC=C(C)C3)n2CCN2CCOCC2(C)C)cc(OC)c1OC ZINC001299852074 1065058149 /nfs/dbraw/zinc/05/81/49/1065058149.db2.gz BWPCEVCSGJZZIY-UHFFFAOYSA-N 0 0 471.602 3.238 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@]2(C)CCCO2)ccc1OC(C)C ZINC001299852284 1065058521 /nfs/dbraw/zinc/05/85/21/1065058521.db2.gz FGSNKJJAAKLXSI-HOYKHHGWSA-N 0 0 457.575 3.012 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCC(F)(F)F)cc(OC)c1OC ZINC001299852693 1065058852 /nfs/dbraw/zinc/05/88/52/1065058852.db2.gz ILXSNFHZLLZWGW-NRFANRHFSA-N 0 0 483.491 3.172 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCCOC(C)C)ccc1OC(C)C ZINC001299852486 1065059106 /nfs/dbraw/zinc/05/91/06/1065059106.db2.gz GNTJGTTYGMBQPH-RUZDIDTESA-N 0 0 471.602 3.415 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC2([S@](C)=O)CC2)cc(OC)c1OC ZINC001299853099 1065059499 /nfs/dbraw/zinc/05/94/99/1065059499.db2.gz NBZVSFSRMQGTMR-NHOCJEJCSA-N 0 0 492.642 3.277 20 0 JGADRN COc1cc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H]2OCC[C@H]2C)ccc1OC(C)C ZINC001299853362 1065059879 /nfs/dbraw/zinc/05/98/79/1065059879.db2.gz RCTYEBZNVMNXJP-VGOFRKELSA-N 0 0 492.642 3.179 20 0 JGADRN COc1cc(-c2nnc(N3CCCC(C)(C)C3)n2C[C@H](C)N2CCOCC2)cc(OC)c1OC ZINC001299853530 1065060244 /nfs/dbraw/zinc/06/02/44/1065060244.db2.gz SMKOQOXRFCOVQX-SFHVURJKSA-N 0 0 473.618 3.318 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC001299853502 1065060414 /nfs/dbraw/zinc/06/04/14/1065060414.db2.gz RXYFDHDOQZTLNI-QZTJIDSGSA-N 0 0 492.642 3.278 20 0 JGADRN COc1cc(-c2nnc(N3CCCN(C(C)=O)CC3)n2CC2CCCC2)cc(OC)c1OC ZINC001299854188 1065061300 /nfs/dbraw/zinc/06/13/00/1065061300.db2.gz BJZAWDBOYWGFMX-UHFFFAOYSA-N 0 0 457.575 3.220 20 0 JGADRN COc1cc(-c2nnc(N3CCCC4(CC4)C3)n2CCCNS(C)(=O)=O)ccc1OC(C)C ZINC001299854459 1065061779 /nfs/dbraw/zinc/06/17/79/1065061779.db2.gz IBOALCWCBPZMFT-UHFFFAOYSA-N 0 0 477.631 3.061 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2CC(=O)NCC(F)(F)F)cc(OC)c1OC ZINC001299854468 1065061932 /nfs/dbraw/zinc/06/19/32/1065061932.db2.gz IGOFYFVOQNCVSV-HOCLYGCPSA-N 0 0 497.518 3.418 20 0 JGADRN COc1cc(-c2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CCC(C)(C)O)ccc1OC(C)C ZINC001299854957 1065062867 /nfs/dbraw/zinc/06/28/67/1065062867.db2.gz PJDUBYCIKJNXCW-UHFFFAOYSA-N 0 0 485.629 3.351 20 0 JGADRN COc1cc(-c2nnc(N3CCCO[C@@H](C)C3)n2Cc2nccn2C(F)F)cc(OC)c1OC ZINC001299854999 1065063489 /nfs/dbraw/zinc/06/34/89/1065063489.db2.gz PQOJQRXUZYKLPE-AWEZNQCLSA-N 0 0 478.500 3.226 20 0 JGADRN COc1cc(-c2nnc(N3CCCC[C@H](C)C3)n2CCS(=O)(=O)CC2CC2)cc(OC)c1OC ZINC001299855197 1065064049 /nfs/dbraw/zinc/06/40/49/1065064049.db2.gz SRYNYUIWEKVOKC-KRWDZBQOSA-N 0 0 492.642 3.422 20 0 JGADRN COc1cc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@@H]2NC(=O)CC2(C)C)ccc1OC(C)C ZINC001299855247 1065064165 /nfs/dbraw/zinc/06/41/65/1065064165.db2.gz TXVLNBKMCVRRKI-UTKZUKDTSA-N 0 0 471.602 3.271 20 0 JGADRN COc1cc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCOC(C)(C)C)ccc1OC(C)C ZINC001299857088 1065065914 /nfs/dbraw/zinc/06/59/14/1065065914.db2.gz JOKXCUYHEOCQQJ-GOSISDBHSA-N 0 0 473.574 3.197 20 0 JGADRN COc1cc(-c2nnc(N3CCOC(C)(C)C3)n2CC2(O)CCCCC2)cc(OC)c1OC ZINC001299857131 1065066102 /nfs/dbraw/zinc/06/61/02/1065066102.db2.gz KOHFHIVVKIVCKK-UHFFFAOYSA-N 0 0 460.575 3.281 20 0 JGADRN 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COc1cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2Cc2nccs2)cc(OC)c1OC ZINC001299857811 1065068672 /nfs/dbraw/zinc/06/86/72/1065068672.db2.gz ZEEBPPPEINTBIF-SFHVURJKSA-N 0 0 459.572 3.337 20 0 JGADRN COc1cc(-c2nnc(N3CCN(C(C)=O)CC3)n2Cc2nc(C)cs2)ccc1OC(C)C ZINC001299857915 1065069090 /nfs/dbraw/zinc/06/90/90/1065069090.db2.gz BZLUTJKGFXDYAB-UHFFFAOYSA-N 0 0 470.599 3.223 20 0 JGADRN COc1cc(-c2nnc(N3CCN(c4nc(C)cc(C)n4)CC3)n2CC(C)C)cc(OC)c1OC ZINC001299857990 1065069118 /nfs/dbraw/zinc/06/91/18/1065069118.db2.gz FLXTYPJIQHSMAT-UHFFFAOYSA-N 0 0 481.601 3.360 20 0 JGADRN COc1cc(-c2nnc(N3CCN(C(C)=O)CC3)n2CCc2cccc(C)n2)ccc1OC(C)C ZINC001299858421 1065070674 /nfs/dbraw/zinc/07/06/74/1065070674.db2.gz NOEODHFQLNDELX-UHFFFAOYSA-N 0 0 478.597 3.356 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CSCCS2)ccc1OC(C)C ZINC001299859201 1065072136 /nfs/dbraw/zinc/07/21/36/1065072136.db2.gz ZJRQIYFPLPWWAQ-ZWKOTPCHSA-N 0 0 491.683 3.291 20 0 JGADRN COc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2Cc2sc(C)nc2C)cc(OC)c1OC 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/nfs/dbraw/zinc/09/18/02/1065091802.db2.gz GJYVXLHWQZYZBC-ZWKOTPCHSA-N 0 0 478.615 3.311 20 0 JGADRN COc1cc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCS(=O)(=O)C2)ccc1SC ZINC001299873103 1065092526 /nfs/dbraw/zinc/09/25/26/1065092526.db2.gz MOVIAHPHNGKDGQ-MSOLQXFVSA-N 0 0 480.656 3.321 20 0 JGADRN COc1cc(CN(C)c2nnc(-c3cnccn3)n2Cc2nccs2)ccc1OC(F)F ZINC001299873272 1065092913 /nfs/dbraw/zinc/09/29/13/1065092913.db2.gz ZLDUDGCMFQELGX-UHFFFAOYSA-N 0 0 459.482 3.486 20 0 JGADRN COc1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)coc2C)cc(OC)c1 ZINC001299873297 1065093024 /nfs/dbraw/zinc/09/30/24/1065093024.db2.gz MZUYNOQGYJDSQU-GOSISDBHSA-N 0 0 474.583 3.092 20 0 JGADRN COc1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccs2)cc(OC)c1 ZINC001299873300 1065093063 /nfs/dbraw/zinc/09/30/63/1065093063.db2.gz NACHMUFIVNRHEX-QGZVFWFLSA-N 0 0 476.624 3.138 20 0 JGADRN COc1cc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2OCC[C@H]2C)ccc1OC(F)F ZINC001299873951 1065094768 /nfs/dbraw/zinc/09/47/68/1065094768.db2.gz ZCIIWZOWIUEUEM-IDHHARJASA-N 0 0 452.502 3.453 20 0 JGADRN COc1cc(CN(C)c2nnc(C3CCCC3)n2CCN2CCCS2(=O)=O)ccc1SC ZINC001299873965 1065094803 /nfs/dbraw/zinc/09/48/03/1065094803.db2.gz ZLBQMXAGZNXNDC-UHFFFAOYSA-N 0 0 479.672 3.338 20 0 JGADRN COc1cc(CN(C)c2nnc(Cc3ccncc3)n2C[C@]2(O)CCO[C@H]2C)c(SC)cc1OC ZINC001299877219 1065096633 /nfs/dbraw/zinc/09/66/33/1065096633.db2.gz UNZRFEAEHIWVMD-SSOJOUAXSA-N 0 0 499.637 3.179 20 0 JGADRN COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(C)(C)C)C2)ccc1Cl ZINC001299877985 1065097654 /nfs/dbraw/zinc/09/76/54/1065097654.db2.gz JUWGDJAHIWWHTN-GOEBONIOSA-N 0 0 470.039 3.471 20 0 JGADRN COc1cc(Cn2c(C(C)C)nnc2N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc(OC)c1OC ZINC001299878088 1065097684 /nfs/dbraw/zinc/09/76/84/1065097684.db2.gz KBKYUXRGJMIZGU-LJQANCHMSA-N 0 0 486.617 3.058 20 0 JGADRN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)c2ccco2)cc(Cl)c1OC ZINC001299878255 1065098167 /nfs/dbraw/zinc/09/81/67/1065098167.db2.gz LNVBUTZZTARUHM-ZIAGYGMSSA-N 0 0 498.005 3.398 20 0 JGADRN COc1cc(Cn2c(C(C)C)nnc2N2CCN(Cc3cc(C)no3)CC2)cc(OC)c1OC ZINC001299878678 1065098700 /nfs/dbraw/zinc/09/87/00/1065098700.db2.gz PDTKEMSZDFVXLZ-UHFFFAOYSA-N 0 0 470.574 3.094 20 0 JGADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1C ZINC001299880424 1065100822 /nfs/dbraw/zinc/10/08/22/1065100822.db2.gz HSNBINQMKSOJRR-FPOVZHCZSA-N 0 0 455.603 3.425 20 0 JGADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)ccc1C ZINC001299880542 1065101258 /nfs/dbraw/zinc/10/12/58/1065101258.db2.gz IPVRIZZLQVUDAZ-PKOBYXMFSA-N 0 0 486.617 3.131 20 0 JGADRN COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3nc(C)cs3)C2)ccc1C ZINC001299880669 1065101267 /nfs/dbraw/zinc/10/12/67/1065101267.db2.gz JFESUHYQRZOUKE-LJQANCHMSA-N 0 0 470.599 3.124 20 0 JGADRN COc1cc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)O)cc(OC)c1 ZINC001299881125 1065102866 /nfs/dbraw/zinc/10/28/66/1065102866.db2.gz MZDCBKKNGKTPOU-HDICACEKSA-N 0 0 489.617 3.473 20 0 JGADRN COc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)OC(C)(C)C2)ccc1C ZINC001299881301 1065103634 /nfs/dbraw/zinc/10/36/34/1065103634.db2.gz UBGVOWAHQULRNU-QGZVFWFLSA-N 0 0 450.543 3.294 20 0 JGADRN COc1cc(Cn2c(-c3cnccn3)nnc2N(C)CC2COC(C)(C)OC2)ccc1Cl ZINC001299882268 1065104862 /nfs/dbraw/zinc/10/48/62/1065104862.db2.gz FFKYLANXJMPLDM-UHFFFAOYSA-N 0 0 458.950 3.281 20 0 JGADRN COc1cc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](OCC(C)C)C2)cc(OC)c1OC ZINC001299882374 1065105470 /nfs/dbraw/zinc/10/54/70/1065105470.db2.gz IPVMLVXGWDBMIO-LJQANCHMSA-N 0 0 470.574 3.004 20 0 JGADRN COc1cc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)ccc1C ZINC001299882414 1065105486 /nfs/dbraw/zinc/10/54/86/1065105486.db2.gz KGXCJLBTNYFJFA-MRXNPFEDSA-N 0 0 463.508 3.117 20 0 JGADRN COc1cc(Cn2c(-c3cccn3C)nnc2N(CCS(C)(=O)=O)C2CC2)cc(Cl)c1OC ZINC001299882681 1065106437 /nfs/dbraw/zinc/10/64/37/1065106437.db2.gz UCRLTXCHKFXBRF-UHFFFAOYSA-N 0 0 494.017 3.016 20 0 JGADRN COc1cc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C(C)(C)C)C2)ccc1OCCO ZINC001299882730 1065106931 /nfs/dbraw/zinc/10/69/31/1065106931.db2.gz ANIKIIIRJNVYOD-HSZRJFAPSA-N 0 0 481.597 3.328 20 0 JGADRN COc1cc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc(Cl)c1OC ZINC001299883398 1065107544 /nfs/dbraw/zinc/10/75/44/1065107544.db2.gz PTXIRHYRQYWSTK-YOEHRIQHSA-N 0 0 487.022 3.108 20 0 JGADRN COc1cc(Cn2c(-c3cccc(C)n3)nnc2N2CCOC(C)(C)[C@@H]2C)ccc1OCCO ZINC001299883136 1065107602 /nfs/dbraw/zinc/10/76/02/1065107602.db2.gz JJRXJRVIBJYQHK-SFHVURJKSA-N 0 0 467.570 3.080 20 0 JGADRN COc1cc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@](C)(C(N)=O)C2)cc(Cl)c1OC ZINC001299883419 1065107614 /nfs/dbraw/zinc/10/76/14/1065107614.db2.gz PYBPTUTVGKEMMS-QHCPKHFHSA-N 0 0 470.961 3.069 20 0 JGADRN COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cscn2)cc(Cl)c1OC ZINC001299883442 1065108165 /nfs/dbraw/zinc/10/81/65/1065108165.db2.gz QUJYTRLAHCHDCQ-OAHLLOKOSA-N 0 0 462.963 3.041 20 0 JGADRN COc1cc(Cn2c(Cc3ccccn3)nnc2N2CCC(CNC(C)=O)CC2)ccc1Cl ZINC001299885601 1065108994 /nfs/dbraw/zinc/10/89/94/1065108994.db2.gz GZLGGTSEGMGDJB-UHFFFAOYSA-N 0 0 468.989 3.327 20 0 JGADRN COc1cc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H]2C(C)C)ccc1OCCO ZINC001299885629 1065109006 /nfs/dbraw/zinc/10/90/06/1065109006.db2.gz IFVUAOVTRPBBTP-OAQYLSRUSA-N 0 0 451.571 3.317 20 0 JGADRN COc1cc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc(Cl)c1OC ZINC001299885463 1065109043 /nfs/dbraw/zinc/10/90/43/1065109043.db2.gz FBUCAZKWFZTPBY-IBGZPJMESA-N 0 0 499.015 3.335 20 0 JGADRN COc1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](C(F)F)C2)ccc1OCCO ZINC001299886035 1065109599 /nfs/dbraw/zinc/10/95/99/1065109599.db2.gz BRIOLZUWITVHPQ-HKUYNNGSSA-N 0 0 466.529 3.429 20 0 JGADRN COc1cc(Cn2c(Cc3ccccn3)nnc2N2CCS[C@H](C(C)C)C2)ccc1OCCO ZINC001299886253 1065110433 /nfs/dbraw/zinc/11/04/33/1065110433.db2.gz QALMJRALZVERDT-QHCPKHFHSA-N 0 0 483.638 3.270 20 0 JGADRN CC(C)(C)N1CC[C@@H](NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)C1=O ZINC001299886974 1065111119 /nfs/dbraw/zinc/11/11/19/1065111119.db2.gz OXEIEIUIKVRERL-GOSISDBHSA-N 0 0 450.568 3.084 20 0 JGADRN COc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)ccc1Cl ZINC001299888214 1065113090 /nfs/dbraw/zinc/11/30/90/1065113090.db2.gz RZGJKKKDWFUDKJ-MSOLQXFVSA-N 0 0 461.994 3.233 20 0 JGADRN COc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](C(F)(F)F)C2)ccc1OCCO ZINC001299888253 1065113111 /nfs/dbraw/zinc/11/31/11/1065113111.db2.gz SZVYNSBAYMHDPX-ZWKOTPCHSA-N 0 0 484.519 3.379 20 0 JGADRN COc1cc(Cn2c(Cc3csc(C)n3)nnc2N2CCC(C)CC2)ccc1OCCO ZINC001299888740 1065114359 /nfs/dbraw/zinc/11/43/59/1065114359.db2.gz CUTSPWCOLACGEN-UHFFFAOYSA-N 0 0 457.600 3.298 20 0 JGADRN COc1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC001299889032 1065115851 /nfs/dbraw/zinc/11/58/51/1065115851.db2.gz GJGTYNKKYMFPGN-IRXDYDNUSA-N 0 0 474.993 3.472 20 0 JGADRN COc1cc(Cn2c(CC3CC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)cc(OC)c1OC ZINC001299889046 1065115907 /nfs/dbraw/zinc/11/59/07/1065115907.db2.gz GVCGRJRNHURORH-HNNXBMFYSA-N 0 0 483.535 3.378 20 0 JGADRN COc1cc(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2c(C)nn(C)c2C)cc(OC)c1OC ZINC001299889092 1065116550 /nfs/dbraw/zinc/11/65/50/1065116550.db2.gz KTLFJVQPWHHGGB-LJQANCHMSA-N 0 0 470.574 3.190 20 0 JGADRN COc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@H](OC)C2)ccc1C ZINC001299889284 1065116623 /nfs/dbraw/zinc/11/66/23/1065116623.db2.gz OLSGULVVQRYPPA-YLJYHZDGSA-N 0 0 469.611 3.496 20 0 JGADRN COc1cc(Cn2c(CN3CCCC3=O)nnc2N(C)CCC2CCOCC2)ccc1Cl ZINC001299890710 1065119139 /nfs/dbraw/zinc/11/91/39/1065119139.db2.gz XNEWUGMAGXEWGM-UHFFFAOYSA-N 0 0 461.994 3.364 20 0 JGADRN COc1cc(CN2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CC=CCO3)CC2)cc(OC)c1 ZINC001299891614 1065119915 /nfs/dbraw/zinc/11/99/15/1065119915.db2.gz ALOLWSATEBDEIM-HXUWFJFHSA-N 0 0 455.603 3.260 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC1([S@](C)=O)CC1 ZINC001299892010 1065120442 /nfs/dbraw/zinc/12/04/42/1065120442.db2.gz DVAMGSWGXMDPQV-MCXVMGKYSA-N 0 0 494.061 3.402 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CCC1(O)CCC1 ZINC001299892485 1065121254 /nfs/dbraw/zinc/12/12/54/1065121254.db2.gz JAKRIBWLAZXOKA-CABCVRRESA-N 0 0 471.023 3.170 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H]1CCCCO1 ZINC001299892768 1065121258 /nfs/dbraw/zinc/12/12/58/1065121258.db2.gz LZUKZKBLBNQGCW-HLLBOEOZSA-N 0 0 471.023 3.434 20 0 JGADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N3CC(C)(C(N)=O)C3)cc2)c1C ZINC001299893038 1065121832 /nfs/dbraw/zinc/12/18/32/1065121832.db2.gz NCMDXHVIRDDFND-UHFFFAOYSA-N 0 0 457.596 3.349 20 0 JGADRN COc1cc(CN2CCN(c3nnc([C@@H]4CCOC4)n3CCCOC(F)(F)F)CC2)cc(OC)c1 ZINC001299893312 1065122542 /nfs/dbraw/zinc/12/25/42/1065122542.db2.gz SEWUXTSYPVFILA-GOSISDBHSA-N 0 0 499.534 3.048 20 0 JGADRN COc1cc(CN2CCN(c3nnc([C@H]4CCOC4)n3CCCOC(F)(F)F)CC2)cc(OC)c1 ZINC001299893315 1065122616 /nfs/dbraw/zinc/12/26/16/1065122616.db2.gz SEWUXTSYPVFILA-SFHVURJKSA-N 0 0 499.534 3.048 20 0 JGADRN COc1cc(CN2CCN(c3nnc(C(C)(C)C)n3CC3([S@](C)=O)CCC3)CC2)cc(OC)c1 ZINC001299893957 1065123981 /nfs/dbraw/zinc/12/39/81/1065123981.db2.gz ZCPIXKZTBSKJBJ-UMSFTDKQSA-N 0 0 489.686 3.216 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCSC2)n1CCS(=O)(=O)CC1CC1 ZINC001299894497 1065125307 /nfs/dbraw/zinc/12/53/07/1065125307.db2.gz DLJBQFZHSQQRRT-MRXNPFEDSA-N 0 0 471.048 3.374 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC1(O)CCOCC1 ZINC001299894593 1065125318 /nfs/dbraw/zinc/12/53/18/1065125318.db2.gz OCBGITXEMVLTKS-UHFFFAOYSA-N 0 0 481.384 3.172 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)CC2CC(F)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001299894439 1065125350 /nfs/dbraw/zinc/12/53/50/1065125350.db2.gz MNLSMAFZVNTOFN-HPUBIQBYSA-N 0 0 486.013 3.073 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001299895463 1065127156 /nfs/dbraw/zinc/12/71/56/1065127156.db2.gz QMYJUSSSNNFSGO-KYHPRHEASA-N 0 0 483.034 3.434 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CC1([S@@](C)=O)CCC1 ZINC001299895388 1065127246 /nfs/dbraw/zinc/12/72/46/1065127246.db2.gz GJJHGUIQDFPTCR-UGAOPGRHSA-N 0 0 494.061 3.213 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)CCc2nccs2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001299896286 1065129728 /nfs/dbraw/zinc/12/97/28/1065129728.db2.gz TZDCJIQZRDNODB-CQSZACIVSA-N 0 0 482.031 3.177 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)CCn2cccn2)n1Cc1ccc(N(C)C)nc1 ZINC001299896554 1065129939 /nfs/dbraw/zinc/12/99/39/1065129939.db2.gz YPCURHJJQOSYSF-UHFFFAOYSA-N 0 0 466.977 3.449 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H]1CCCSC1 ZINC001299897464 1065131328 /nfs/dbraw/zinc/13/13/28/1065131328.db2.gz FNJRCEIJTLRLSP-LSDHHAIUSA-N 0 0 450.008 3.417 20 0 JGADRN COc1cc(Cl)ccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H]1CCC(F)(F)C1 ZINC001299897772 1065131849 /nfs/dbraw/zinc/13/18/49/1065131849.db2.gz IQEDAGUHTGPPBC-ZDUSSCGKSA-N 0 0 477.965 3.028 20 0 JGADRN 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Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCN2CCC(C)CC2)cc1 ZINC001492310042 1065389336 /nfs/dbraw/zinc/38/93/36/1065389336.db2.gz BYOPMTPJHAWLHY-SFTDATJTSA-N 0 0 477.675 3.155 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@@H](C)C2)c1 ZINC001492308170 1065389463 /nfs/dbraw/zinc/38/94/63/1065389463.db2.gz YROQNBZWVCSZOH-QLFBSQMISA-N 0 0 489.614 3.177 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC(F)(F)Br)cc1C ZINC001492311194 1065390524 /nfs/dbraw/zinc/39/05/24/1065390524.db2.gz KXBDSRJFYLBKRN-CQSZACIVSA-N 0 0 495.390 3.331 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3CC3(C)C)CC2)cc1 ZINC001492312052 1065391293 /nfs/dbraw/zinc/39/12/93/1065391293.db2.gz PLAKLXJPPSJCHK-ROUUACIJSA-N 0 0 461.632 3.291 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCOC3)n2CCCn2cc(Br)cn2)cc1 ZINC001492315827 1065392305 /nfs/dbraw/zinc/39/23/05/1065392305.db2.gz CORWHPRCUDCTTM-SFHVURJKSA-N 0 0 475.391 3.440 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC2(NC(=O)OC(C)(C)C)COC2)cc1 ZINC001492316533 1065393093 /nfs/dbraw/zinc/39/30/93/1065393093.db2.gz IQJOOLQDHXEFML-GOSISDBHSA-N 0 0 489.642 3.401 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@@H]2CCCCC2(F)F)cc1 ZINC001492317775 1065393622 /nfs/dbraw/zinc/39/36/22/1065393622.db2.gz QEWLDXRPBOGLSU-IBGZPJMESA-N 0 0 477.556 3.286 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCSC(C)C)cc1C ZINC001492318380 1065394231 /nfs/dbraw/zinc/39/42/31/1065394231.db2.gz WAXJCYAJAAWRKJ-GOSISDBHSA-N 0 0 452.646 3.239 20 0 JGADRN Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NCC(F)(F)F ZINC001492323122 1065395947 /nfs/dbraw/zinc/39/59/47/1065395947.db2.gz HCGPAXAZQVEWPX-UHFFFAOYSA-N 0 0 480.491 3.394 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ccccn3)n2CC2CCS(=O)(=O)CC2)cc1C ZINC001492322843 1065396006 /nfs/dbraw/zinc/39/60/06/1065396006.db2.gz BGHLPDCVAKVHHD-UHFFFAOYSA-N 0 0 469.611 3.330 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC(F)(F)F ZINC001492324007 1065396591 /nfs/dbraw/zinc/39/65/91/1065396591.db2.gz ZXMCAQCLNWJBRR-UHFFFAOYSA-N 0 0 468.505 3.245 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](C(C)C)N2CCOCC2)cc1C ZINC001492323723 1065396808 /nfs/dbraw/zinc/39/68/08/1065396808.db2.gz WKPHMOPAVZDKAF-DEOSSOPVSA-N 0 0 481.645 3.201 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3nccs3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492325415 1065397615 /nfs/dbraw/zinc/39/76/15/1065397615.db2.gz LRIYPENXSZYDHU-UHFFFAOYSA-N 0 0 468.505 3.245 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCCc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC001492328968 1065399185 /nfs/dbraw/zinc/39/91/85/1065399185.db2.gz CAQHBJVCOUVKOZ-HXUWFJFHSA-N 0 0 469.611 3.064 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2CC[C@H]2COCCO2)cc1C ZINC001492329681 1065399738 /nfs/dbraw/zinc/39/97/38/1065399738.db2.gz MBQYROVAERAMER-FQEVSTJZSA-N 0 0 457.600 3.415 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001492330578 1065400913 /nfs/dbraw/zinc/40/09/13/1065400913.db2.gz OAPBQOSVHZGMHY-UHFFFAOYSA-N 0 0 457.619 3.139 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CCNC(=O)c2cccs2)cc1C ZINC001492331098 1065401426 /nfs/dbraw/zinc/40/14/26/1065401426.db2.gz QRFSYMHGUIHZHI-IBGZPJMESA-N 0 0 469.611 3.438 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@]2(O)CCC[C@H]2C)cc1 ZINC001492331055 1065401643 /nfs/dbraw/zinc/40/16/43/1065401643.db2.gz VTEPSBQUJWCYTL-QFQXNSOFSA-N 0 0 471.646 3.264 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC001492336327 1065403460 /nfs/dbraw/zinc/40/34/60/1065403460.db2.gz FAFONFNYCGGMBV-UHFFFAOYSA-N 0 0 487.626 3.267 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCSC(F)(F)F)cc1C ZINC001492336481 1065403574 /nfs/dbraw/zinc/40/35/74/1065403574.db2.gz BBWKFFWYZYTCBV-OAHLLOKOSA-N 0 0 457.522 3.394 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC2(S(C)(=O)=O)CC2)cc1C ZINC001492337037 1065404466 /nfs/dbraw/zinc/40/44/66/1065404466.db2.gz FIYAGUSEDAEOCU-SFHVURJKSA-N 0 0 462.616 3.055 20 0 JGADRN Cc1nc(Cn2c(COc3ccc(C)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)sc1C ZINC001492337557 1065405424 /nfs/dbraw/zinc/40/54/24/1065405424.db2.gz MIVLPPJAIGYGSE-UHFFFAOYSA-N 0 0 475.640 3.301 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492338453 1065406050 /nfs/dbraw/zinc/40/60/50/1065406050.db2.gz KOTVASGDRABJRF-DNRQZRRGSA-N 0 0 455.603 3.128 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCc2ccn(C)n2)cc1 ZINC001492338152 1065406082 /nfs/dbraw/zinc/40/60/82/1065406082.db2.gz KEMHDEKCTFIJFD-VQIMIIECSA-N 0 0 464.492 3.298 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCOc2ncccc2Cl)cc1C ZINC001492340227 1065408371 /nfs/dbraw/zinc/40/83/71/1065408371.db2.gz RDFRQNVPVSXBQG-SFHVURJKSA-N 0 0 484.988 3.268 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCOc2ccc(Cl)cn2)cc1C ZINC001492339939 1065408388 /nfs/dbraw/zinc/40/83/88/1065408388.db2.gz XZJADTMSPHXGRY-SFHVURJKSA-N 0 0 484.988 3.268 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(OCC(N)=O)CC2)cc1 ZINC001492293539 1065409022 /nfs/dbraw/zinc/40/90/22/1065409022.db2.gz BLEITBATSBYSIF-QGZVFWFLSA-N 0 0 484.988 3.240 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001492295315 1065410289 /nfs/dbraw/zinc/41/02/89/1065410289.db2.gz NDUDWKKOPITDPQ-MVJTYMMSSA-N 0 0 467.492 3.161 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC001492295652 1065411318 /nfs/dbraw/zinc/41/13/18/1065411318.db2.gz POKKFABAJRFNQL-HXUWFJFHSA-N 0 0 498.653 3.285 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 ZINC001492295619 1065411468 /nfs/dbraw/zinc/41/14/68/1065411468.db2.gz PBTHVICOEQJNKO-SIKLNZKXSA-N 0 0 454.575 3.085 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC001492297726 1065412261 /nfs/dbraw/zinc/41/22/61/1065412261.db2.gz YDBKTMIRFZHDNM-NHCUHLMSSA-N 0 0 477.613 3.500 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 ZINC001492297728 1065412297 /nfs/dbraw/zinc/41/22/97/1065412297.db2.gz YDBKTMIRFZHDNM-SFTDATJTSA-N 0 0 477.613 3.500 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCN2CCCS2(=O)=O)cc1 ZINC001492351118 1065412933 /nfs/dbraw/zinc/41/29/33/1065412933.db2.gz BKDOXHBAURKOMZ-IBGZPJMESA-N 0 0 461.632 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H]2CSCCS2)cc1C ZINC001492351841 1065413951 /nfs/dbraw/zinc/41/39/51/1065413951.db2.gz GUKMHJROFWOAQH-AVRDEDQJSA-N 0 0 461.657 3.024 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2CCOC2)cc1C ZINC001492391006 1065413972 /nfs/dbraw/zinc/41/39/72/1065413972.db2.gz JKZPBMRDWKOOKX-SFHVURJKSA-N 0 0 453.509 3.195 20 0 JGADRN Cc1c(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)cnn1CC(C)C ZINC001492352132 1065413980 /nfs/dbraw/zinc/41/39/80/1065413980.db2.gz JIHPFTHGZNYTSR-AREMUKBSSA-N 0 0 479.629 3.385 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CCNC(=O)C(C)C)cc1 ZINC001492352228 1065414101 /nfs/dbraw/zinc/41/41/01/1065414101.db2.gz KYLMGVGYKSHEKR-OAQYLSRUSA-N 0 0 455.603 3.191 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](C4CCOCC4)C3)n2CCNC(=O)C(C)C)cc1 ZINC001492352227 1065414129 /nfs/dbraw/zinc/41/41/29/1065414129.db2.gz KYLMGVGYKSHEKR-NRFANRHFSA-N 0 0 455.603 3.191 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)n2CCC(C)C)cc1 ZINC001492352874 1065414823 /nfs/dbraw/zinc/41/48/23/1065414823.db2.gz RDCRAVNIBSYRED-DEOSSOPVSA-N 0 0 454.575 3.026 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2cccc(Br)n2)cc1 ZINC001492353396 1065415797 /nfs/dbraw/zinc/41/57/97/1065415797.db2.gz YGPKQTDNPAALJH-QFIPXVFZSA-N 0 0 485.386 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CCCO)CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492353661 1065416338 /nfs/dbraw/zinc/41/63/38/1065416338.db2.gz HNGMFPCQSFUDTQ-UHFFFAOYSA-N 0 0 457.619 3.459 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CCOC(C)(C)C)cc1C ZINC001492353858 1065417340 /nfs/dbraw/zinc/41/73/40/1065417340.db2.gz NXALFYNAMHPSAB-JOCHJYFZSA-N 0 0 471.646 3.448 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC(=O)N2CCCCCC2)cc1C ZINC001492354134 1065418073 /nfs/dbraw/zinc/41/80/73/1065418073.db2.gz YEHKYWOPLXTVPR-UHFFFAOYSA-N 0 0 496.656 3.358 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@@H]2CCO[C@H](C)C2)cc1 ZINC001492354105 1065418098 /nfs/dbraw/zinc/41/80/98/1065418098.db2.gz WZXOWBLJULAUGH-TZIWHRDSSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@H]2NC(=O)CC2(C)C)cc1 ZINC001492354010 1065418194 /nfs/dbraw/zinc/41/81/94/1065418194.db2.gz SYOZAPTVTQBKOC-OAQYLSRUSA-N 0 0 455.603 3.069 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@H]2CCO[C@@H](C)C2)cc1 ZINC001492354103 1065418228 /nfs/dbraw/zinc/41/82/28/1065418228.db2.gz WZXOWBLJULAUGH-FPOVZHCZSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1nnsc1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001492358424 1065418721 /nfs/dbraw/zinc/41/87/21/1065418721.db2.gz AGAWEZLCVIGXTO-UHFFFAOYSA-N 0 0 468.505 3.267 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCC2CC(OC(C)(C)C)C2)cc1C ZINC001492391036 1065418762 /nfs/dbraw/zinc/41/87/62/1065418762.db2.gz KHGOUKDEIRPDHS-UHFFFAOYSA-N 0 0 455.603 3.394 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)cc1C ZINC001492358667 1065419799 /nfs/dbraw/zinc/41/97/99/1065419799.db2.gz BZRROKTUGIERPV-HXUWFJFHSA-N 0 0 496.616 3.259 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CC2CC(C)(C)C2)cc1 ZINC001492358456 1065419847 /nfs/dbraw/zinc/41/98/47/1065419847.db2.gz ATMKZRJDASZHTG-UHFFFAOYSA-N 0 0 475.659 3.462 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492359697 1065421482 /nfs/dbraw/zinc/42/14/82/1065421482.db2.gz MBMBYSZACJDWGA-UHFFFAOYSA-N 0 0 483.535 3.364 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCCOC(F)F)cc1C ZINC001492362685 1065423995 /nfs/dbraw/zinc/42/39/95/1065423995.db2.gz FMTKUQFEVDWOBJ-UHFFFAOYSA-N 0 0 472.558 3.117 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OCCC(C)C)CC3)n2Cc2nnn(C)n2)cc1C ZINC001492363402 1065424276 /nfs/dbraw/zinc/42/42/76/1065424276.db2.gz JGHVIJQZUZJONK-UHFFFAOYSA-N 0 0 468.606 3.077 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001492363603 1065424929 /nfs/dbraw/zinc/42/49/29/1065424929.db2.gz KMHNFZWELKDMMZ-HXUWFJFHSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001492363918 1065425675 /nfs/dbraw/zinc/42/56/75/1065425675.db2.gz OLKSIAJZJJWVBY-WMZHIEFXSA-N 0 0 476.643 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCOCC(F)F)cc1 ZINC001492364251 1065426490 /nfs/dbraw/zinc/42/64/90/1065426490.db2.gz URQLTSRMDVLZEP-UHFFFAOYSA-N 0 0 464.435 3.341 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4nc(C(F)(F)F)ncc4C3)n2CC(C)(C)O)cc1 ZINC001492364034 1065426589 /nfs/dbraw/zinc/42/65/89/1065426589.db2.gz RKWFNLSYLKEOHV-UHFFFAOYSA-N 0 0 462.476 3.308 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@H]2CC[C@@H](C)C2)cc1 ZINC001492391113 1065428091 /nfs/dbraw/zinc/42/80/91/1065428091.db2.gz MUWQSYOPNKGHIS-AABGKKOBSA-N 0 0 461.632 3.072 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2cccc(Br)n2)cc1 ZINC001492368487 1065428115 /nfs/dbraw/zinc/42/81/15/1065428115.db2.gz FUGVLBSVKGWUAF-INIZCTEOSA-N 0 0 485.386 3.073 20 0 JGADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCCS(C)(=O)=O)C2)n1 ZINC001492369817 1065430199 /nfs/dbraw/zinc/43/01/99/1065430199.db2.gz CKTHURWWOHQZGJ-NRFANRHFSA-N 0 0 486.642 3.255 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc(Cl)nc2)cc1 ZINC001492370042 1065431188 /nfs/dbraw/zinc/43/11/88/1065431188.db2.gz FLOHBEBNZCNXKW-QGZVFWFLSA-N 0 0 454.962 3.354 20 0 JGADRN Cc1noc([C@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCNC(=O)C(C)(C)C)C2)n1 ZINC001492370273 1065431779 /nfs/dbraw/zinc/43/17/79/1065431779.db2.gz GYHNIWNNNFAZSG-IBGZPJMESA-N 0 0 481.601 3.403 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2CCC(=O)N2CCOCC2)cc1 ZINC001492370140 1065431966 /nfs/dbraw/zinc/43/19/66/1065431966.db2.gz SBLCGUOQVCYLLN-NRFANRHFSA-N 0 0 455.603 3.287 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](n4cncn4)C3)n2CCC(=O)NC(C)(C)C)cc1C ZINC001492370994 1065434364 /nfs/dbraw/zinc/43/43/64/1065434364.db2.gz NDXITWIFEAOIGN-FQEVSTJZSA-N 0 0 480.617 3.212 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCC(=O)NC(C)(C)C)cc1C ZINC001492370997 1065434549 /nfs/dbraw/zinc/43/45/49/1065434549.db2.gz NDXITWIFEAOIGN-HXUWFJFHSA-N 0 0 480.617 3.212 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCO[C@H]2C(C)C)cc1 ZINC001492371444 1065435971 /nfs/dbraw/zinc/43/59/71/1065435971.db2.gz RDOLQACRERHBPS-REHUZNOOSA-N 0 0 455.603 3.318 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@](C)(O)c2cccs2)cc1 ZINC001492372265 1065437485 /nfs/dbraw/zinc/43/74/85/1065437485.db2.gz XUNKFARFVARTLR-CVDCTZTESA-N 0 0 490.651 3.148 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(F)cn2)cc1C ZINC001492372424 1065438114 /nfs/dbraw/zinc/43/81/14/1065438114.db2.gz ZTCFQCXQTIDYSS-NRFANRHFSA-N 0 0 473.574 3.070 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@]2(O)CCSC2)cc1 ZINC001492372436 1065438929 /nfs/dbraw/zinc/43/89/29/1065438929.db2.gz ZVSSPEQNTZAISX-NBGIEHNGSA-N 0 0 487.670 3.022 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@H]2CCC[C@@H]2C)cc1C ZINC001492377480 1065441385 /nfs/dbraw/zinc/44/13/85/1065441385.db2.gz QNFDXUSEXZBKOO-UNMCSNQZSA-N 0 0 496.656 3.083 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCCOC[C@@H]2CCCO2)cc1 ZINC001492377881 1065442393 /nfs/dbraw/zinc/44/23/93/1065442393.db2.gz XWDNBDWBZOOVSS-QHCPKHFHSA-N 0 0 499.656 3.446 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C)c2nccs2)cc1C ZINC001492377860 1065442422 /nfs/dbraw/zinc/44/24/22/1065442422.db2.gz XHMWFNDHHQTDGE-MSOLQXFVSA-N 0 0 454.600 3.436 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3nncn3C)n2CC[S@@](=O)C(C)(C)C)cc1C ZINC001492378309 1065443165 /nfs/dbraw/zinc/44/31/65/1065443165.db2.gz KZPPONQZJOACPK-NMWVFERUSA-N 0 0 485.658 3.491 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2CCCO2)cc1C ZINC001492379495 1065443758 /nfs/dbraw/zinc/44/37/58/1065443758.db2.gz RLCYYBRTFLVAJH-LEWJYISDSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCCO2)cc1C ZINC001492379505 1065443782 /nfs/dbraw/zinc/44/37/82/1065443782.db2.gz RLCYYBRTFLVAJH-SFTDATJTSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCCOC(C)C)cc1 ZINC001492379644 1065444534 /nfs/dbraw/zinc/44/45/34/1065444534.db2.gz UDBLQTBGTOAPMD-OAQYLSRUSA-N 0 0 464.632 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@H]2CCC[C@H](O)C2)cc1 ZINC001492383241 1065447114 /nfs/dbraw/zinc/44/71/14/1065447114.db2.gz OWTSUROFYAAHSE-RTWAWAEBSA-N 0 0 484.645 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC2([S@@](C)=O)CC2)cc1 ZINC001492383357 1065447792 /nfs/dbraw/zinc/44/77/92/1065447792.db2.gz RBWROCFFIAAHMW-UGAOPGRHSA-N 0 0 485.576 3.149 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCc2cn[nH]c2)cc1C ZINC001492383497 1065447931 /nfs/dbraw/zinc/44/79/31/1065447931.db2.gz ULJYKSPAHSEHAY-UHFFFAOYSA-N 0 0 480.617 3.070 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC2CCC(F)(F)CC2)cc1 ZINC001492391224 1065449370 /nfs/dbraw/zinc/44/93/70/1065449370.db2.gz PPTTTZAQBXQUSL-UHFFFAOYSA-N 0 0 483.585 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)N4CCCCC4)CC3)n2CC(F)(F)F)cc1 ZINC001492383948 1065449402 /nfs/dbraw/zinc/44/94/02/1065449402.db2.gz ZWXYUKORXJOJON-UHFFFAOYSA-N 0 0 466.508 3.456 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@](C)(O)C2CC2)cc1 ZINC001492384095 1065450367 /nfs/dbraw/zinc/45/03/67/1065450367.db2.gz DILCNVIHTOYXTR-HTAPYJJXSA-N 0 0 467.536 3.399 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@]2(O)CCSC2)cc1 ZINC001492384665 1065451467 /nfs/dbraw/zinc/45/14/67/1065451467.db2.gz KIZBGWAITMZZIQ-DYESRHJHSA-N 0 0 485.576 3.106 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2Cc2ncnn2C(C)(C)C)cc1 ZINC001492384860 1065452222 /nfs/dbraw/zinc/45/22/22/1065452222.db2.gz LLIUWVVIERKOBM-FQEVSTJZSA-N 0 0 494.644 3.253 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2Cc2cnn(C)c2)cc1 ZINC001492385684 1065453952 /nfs/dbraw/zinc/45/39/52/1065453952.db2.gz UOGFXSKOGSCSRA-KRWDZBQOSA-N 0 0 463.508 3.020 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4ccccn4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492386154 1065454747 /nfs/dbraw/zinc/45/47/47/1065454747.db2.gz YEAWOOSJXHEHGW-RUZDIDTESA-N 0 0 450.587 3.294 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001492390901 1065456370 /nfs/dbraw/zinc/45/63/70/1065456370.db2.gz FRDXCAOVECVNSW-XZOQPEGZSA-N 0 0 471.646 3.385 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@]4(CCOC4)OC(C)(C)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492341104 1065457111 /nfs/dbraw/zinc/45/71/11/1065457111.db2.gz ZMZCZLOKIDXLSH-AREMUKBSSA-N 0 0 485.629 3.117 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492344618 1065458905 /nfs/dbraw/zinc/45/89/05/1065458905.db2.gz OKRUABSXDNIZNO-OAQYLSRUSA-N 0 0 469.630 3.474 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC(C)(C)N2CCOCC2)cc1C ZINC001492344989 1065459673 /nfs/dbraw/zinc/45/96/73/1065459673.db2.gz SVEMAAAYIGXCPA-NHCUHLMSSA-N 0 0 457.619 3.198 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCS(=O)(=O)N(C)C)cc1C ZINC001492345396 1065460411 /nfs/dbraw/zinc/46/04/11/1065460411.db2.gz VNVACGWHAYSXDL-UHFFFAOYSA-N 0 0 487.548 3.064 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cc1 ZINC001492345643 1065461109 /nfs/dbraw/zinc/46/11/09/1065461109.db2.gz DWKDZFZVRMVZTK-DYXWJJEUSA-N 0 0 498.628 3.123 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001492346932 1065461837 /nfs/dbraw/zinc/46/18/37/1065461837.db2.gz NPQVRUGXRLVSMK-WOJBJXKFSA-N 0 0 475.659 3.462 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001492346866 1065461871 /nfs/dbraw/zinc/46/18/71/1065461871.db2.gz MMGJQBWMVPFTCR-UHFFFAOYSA-N 0 0 481.519 3.286 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCCn2cnnn2)cc1C ZINC001492347249 1065462633 /nfs/dbraw/zinc/46/26/33/1065462633.db2.gz SQYZJHVLVLGPKD-UHFFFAOYSA-N 0 0 464.496 3.329 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)cc1C ZINC001492346996 1065462706 /nfs/dbraw/zinc/46/27/06/1065462706.db2.gz OMBMUIDFZZUCCC-MHZLTWQESA-N 0 0 496.656 3.035 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCN2CCOC2=O)cc1C ZINC001492395420 1065467662 /nfs/dbraw/zinc/46/76/62/1065467662.db2.gz SEQRWHCVFJQAAG-SFHVURJKSA-N 0 0 483.491 3.084 20 0 JGADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(COc4ccc(C)cc4)n3C[C@@](C)(O)C(C)C)CCO2)n1 ZINC001492400252 1065469347 /nfs/dbraw/zinc/46/93/47/1065469347.db2.gz HCXREMYMZFQYFG-ZEQKJWHPSA-N 0 0 482.629 3.291 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCCOC(F)F)cc1C ZINC001492400678 1065469995 /nfs/dbraw/zinc/46/99/95/1065469995.db2.gz FCGWRSJEEDQWTL-MJGOQNOKSA-N 0 0 463.529 3.066 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC001492401898 1065471662 /nfs/dbraw/zinc/47/16/62/1065471662.db2.gz NRYHIUZUCBMTNP-IRLDBZIGSA-N 0 0 459.660 3.464 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC[C@H](C4CCC4)C3)n2CCCS(C)(=O)=O)cc1C ZINC001492401993 1065471705 /nfs/dbraw/zinc/47/17/05/1065471705.db2.gz QIAHNHFSTNQRNG-OAQYLSRUSA-N 0 0 476.643 3.162 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001492402013 1065471709 /nfs/dbraw/zinc/47/17/09/1065471709.db2.gz QSKPMKWMVMYSMI-OAQYLSRUSA-N 0 0 466.611 3.286 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCC(=O)NC2CCCCC2)cc1 ZINC001492402518 1065472569 /nfs/dbraw/zinc/47/25/69/1065472569.db2.gz SKNGWTQTQFCOIZ-KNQAVFIVSA-N 0 0 455.603 3.212 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H](C)CN2CCOCC2)cc1C ZINC001492402343 1065472722 /nfs/dbraw/zinc/47/27/22/1065472722.db2.gz ROJMXJLXWNZVDS-RXVVDRJESA-N 0 0 459.660 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCNS(C)(=O)=O)cc1C ZINC001492407547 1065473490 /nfs/dbraw/zinc/47/34/90/1065473490.db2.gz HRKPKKUHAZMHMR-SJLPKXTDSA-N 0 0 489.564 3.048 20 0 JGADRN Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2nncn2C)cc1 ZINC001492407488 1065473514 /nfs/dbraw/zinc/47/35/14/1065473514.db2.gz HAICSBJZWHNUQZ-FQEVSTJZSA-N 0 0 466.590 3.054 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCCCS(C)(=O)=O)cc1C ZINC001492408632 1065474122 /nfs/dbraw/zinc/47/41/22/1065474122.db2.gz OJBUYVYGWZEJEX-BGYRXZFFSA-N 0 0 464.632 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4OCO[C@H]4C3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001492409353 1065475278 /nfs/dbraw/zinc/47/52/78/1065475278.db2.gz SBLLVUKXFKZUFC-SESVDKBCSA-N 0 0 487.601 3.230 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4OCO[C@H]4C3)n2CCCN(C)C(=O)OC(C)(C)C)cc1C ZINC001492409350 1065475386 /nfs/dbraw/zinc/47/53/86/1065475386.db2.gz RZINPPODJIYLGM-OYRHEFFESA-N 0 0 487.601 3.292 20 0 JGADRN Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC001492412825 1065477209 /nfs/dbraw/zinc/47/72/09/1065477209.db2.gz YFGQDOVFIRIYFX-NRFANRHFSA-N 0 0 492.628 3.089 20 0 JGADRN Cc1ccc(OCCCn2c(-c3cnn(C)c3)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 ZINC001492417261 1065477285 /nfs/dbraw/zinc/47/72/85/1065477285.db2.gz QKOFCMKZYBJFAQ-UHFFFAOYSA-N 0 0 465.602 3.151 20 0 JGADRN Cc1ccc(OCCCn2c(-c3cccnc3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC001492417961 1065477754 /nfs/dbraw/zinc/47/77/54/1065477754.db2.gz XHEGMQLSABGZCI-OAQYLSRUSA-N 0 0 498.653 3.225 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCC2)cc1 ZINC001492418340 1065478726 /nfs/dbraw/zinc/47/87/26/1065478726.db2.gz GVZSVFHPWODVDN-UHFFFAOYSA-N 0 0 450.543 3.054 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)cc1 ZINC001492418154 1065478825 /nfs/dbraw/zinc/47/88/25/1065478825.db2.gz DPRCPWMCQQYATK-MHZLTWQESA-N 0 0 495.624 3.198 20 0 JGADRN Cc1ccc(OCCCn2c(CN3CCCC3=O)nnc2N(C)CC2COC(C)(C)OC2)cc1 ZINC001492418648 1065479452 /nfs/dbraw/zinc/47/94/52/1065479452.db2.gz KJDZTXNFIMIEPL-UHFFFAOYSA-N 0 0 471.602 3.013 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC001492420156 1065480310 /nfs/dbraw/zinc/48/03/10/1065480310.db2.gz AMJZANGGLHDMSR-GOSISDBHSA-N 0 0 477.535 3.386 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC001492420157 1065480361 /nfs/dbraw/zinc/48/03/61/1065480361.db2.gz AMJZANGGLHDMSR-SFHVURJKSA-N 0 0 477.535 3.386 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C(C)(C)C)no2)cc1 ZINC001492420371 1065481182 /nfs/dbraw/zinc/48/11/82/1065481182.db2.gz DXMHQJJDFIGDFJ-LJQANCHMSA-N 0 0 452.559 3.387 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(Cc3ccncc3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492420218 1065481204 /nfs/dbraw/zinc/48/12/04/1065481204.db2.gz CHIJFIUTQJBDCM-UHFFFAOYSA-N 0 0 450.587 3.392 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCOc2ccc(C)cc2)c(C)o1 ZINC001492420900 1065482131 /nfs/dbraw/zinc/48/21/31/1065482131.db2.gz KWZJVSRUPLUPHV-PXDATVDWSA-N 0 0 467.570 3.170 20 0 JGADRN Cc1ccc(OCCn2c(-c3cc(Br)cn3C)nnc2N2CCS(=O)CC2)cc1 ZINC001492424377 1065483000 /nfs/dbraw/zinc/48/30/00/1065483000.db2.gz HRADVNDXOVWPOK-UHFFFAOYSA-N 0 0 478.416 3.002 20 0 JGADRN Cc1ccc(OCCn2c(-c3cccn3C)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cc1 ZINC001492424607 1065483755 /nfs/dbraw/zinc/48/37/55/1065483755.db2.gz LIDUOEXFKLGLGF-FQEVSTJZSA-N 0 0 450.587 3.412 20 0 JGADRN Cc1ccc(OCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC001492426780 1065485330 /nfs/dbraw/zinc/48/53/30/1065485330.db2.gz KBRLEDBOKHYKEJ-LJQANCHMSA-N 0 0 463.648 3.020 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H]2CCOC2)cc1 ZINC001492426746 1065485369 /nfs/dbraw/zinc/48/53/69/1065485369.db2.gz JRNKXANXRIQCTJ-FPOVZHCZSA-N 0 0 487.601 3.199 20 0 JGADRN Cc1ccc(OCCn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(F)F)CC2)cc1 ZINC001492428822 1065486751 /nfs/dbraw/zinc/48/67/51/1065486751.db2.gz BCBIXTBDYCTEKA-UHFFFAOYSA-N 0 0 490.580 3.044 20 0 JGADRN Cc1ccsc1Cn1c([C@H]2CCCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001492429076 1065486864 /nfs/dbraw/zinc/48/68/64/1065486864.db2.gz DNWRFEHVXRIBCL-IBGZPJMESA-N 0 0 489.667 3.313 20 0 JGADRN Cc1noc(C)c1CCn1c(C2CCC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001492428755 1065486868 /nfs/dbraw/zinc/48/68/68/1065486868.db2.gz AKUNYSIYQOXQRS-UHFFFAOYSA-N 0 0 472.615 3.116 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 ZINC001492429152 1065487203 /nfs/dbraw/zinc/48/72/03/1065487203.db2.gz HDCPTPFZIQLNQI-FPOVZHCZSA-N 0 0 498.628 3.404 20 0 JGADRN Cc1ccc(-c2nnc(N(C)CCNS(=O)(=O)c3ccc(C)cc3)n2CCc2ccncc2)o1 ZINC001492429168 1065487318 /nfs/dbraw/zinc/48/73/18/1065487318.db2.gz HJDONDWBEVDTLT-UHFFFAOYSA-N 0 0 480.594 3.207 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2CC2(C)CCOCC2)cc1 ZINC001492429172 1065487351 /nfs/dbraw/zinc/48/73/51/1065487351.db2.gz HOKZFRWZXCIUQE-UHFFFAOYSA-N 0 0 461.632 3.085 20 0 JGADRN Cc1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1Cc1coc(-c2cccs2)n1 ZINC001492429738 1065488168 /nfs/dbraw/zinc/48/81/68/1065488168.db2.gz LOEXOIURFVRCQI-UHFFFAOYSA-N 0 0 472.596 3.074 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccc3C)nnc2N2CC[C@@H](C)C2)s1 ZINC001492435756 1065489765 /nfs/dbraw/zinc/48/97/65/1065489765.db2.gz AJFSAARSGQJZCY-MRXNPFEDSA-N 0 0 459.641 3.372 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(CC3CC3)nnc2N2CCC[C@@H](C(C)C)C2)s1 ZINC001492436499 1065491103 /nfs/dbraw/zinc/49/11/03/1065491103.db2.gz JCFOHAXSRAAYPS-GOSISDBHSA-N 0 0 451.662 3.451 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCO3)nnc2N2CCCC[C@@H](C)C2)s1 ZINC001492436330 1065491125 /nfs/dbraw/zinc/49/11/25/1065491125.db2.gz HHUPZWPZJHICOL-NVXWUHKLSA-N 0 0 453.634 3.104 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CCC(C)(C)O)cc1 ZINC001492436965 1065492119 /nfs/dbraw/zinc/49/21/19/1065492119.db2.gz NUYBFGSLPAPAIG-IAGOWNOFSA-N 0 0 454.662 3.298 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccsc3)nnc2N(C)C[C@@H]2CCCCO2)s1 ZINC001492437035 1065492184 /nfs/dbraw/zinc/49/21/84/1065492184.db2.gz PDHXIZZFNRQKPA-SFHVURJKSA-N 0 0 495.696 3.284 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](C)C2)s1 ZINC001492437547 1065493481 /nfs/dbraw/zinc/49/34/81/1065493481.db2.gz CPARLDYALZMQLO-GFCCVEGCSA-N 0 0 499.460 3.230 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)nc2)cc1 ZINC001492438331 1065495053 /nfs/dbraw/zinc/49/50/53/1065495053.db2.gz ICYIPMWPYOFJLE-UHFFFAOYSA-N 0 0 499.685 3.099 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cccnc3)nnc2N(C)Cc2cnc(C)s2)s1 ZINC001492439073 1065495972 /nfs/dbraw/zinc/49/59/72/1065495972.db2.gz MAPYKOQXNUNMBG-UHFFFAOYSA-N 0 0 489.652 3.090 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)CCNS(=O)(=O)c3ccc(C)cc3)n2C[C@H]2CC[C@@H](C)C2)n1 ZINC001492440233 1065496743 /nfs/dbraw/zinc/49/67/43/1065496743.db2.gz QCDUTCCSRAVWDD-KNQAVFIVSA-N 0 0 499.685 3.299 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)CCNS(=O)(=O)c3ccc(C)cc3)n2C[C@H]2CC[C@H](C)C2)n1 ZINC001492440235 1065496750 /nfs/dbraw/zinc/49/67/50/1065496750.db2.gz QCDUTCCSRAVWDD-UGKGYDQZSA-N 0 0 499.685 3.299 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(C(C)C)nnc2N(C)Cc2cc(Cl)ccn2)s1 ZINC001492441605 1065497594 /nfs/dbraw/zinc/49/75/94/1065497594.db2.gz UDFBHFLLORHVHV-UHFFFAOYSA-N 0 0 469.036 3.435 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(Cc3ccsc3)n2CC2=CCCOC2)cc1 ZINC001492443095 1065498947 /nfs/dbraw/zinc/49/89/47/1065498947.db2.gz XYNFHISOQQVFKJ-UHFFFAOYSA-N 0 0 487.651 3.000 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492443166 1065498973 /nfs/dbraw/zinc/49/89/73/1065498973.db2.gz ZARLKDKBRJNPKV-IBGZPJMESA-N 0 0 497.687 3.262 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@]2(C)COCCO2)cc1 ZINC001492444900 1065499693 /nfs/dbraw/zinc/49/96/93/1065499693.db2.gz FUAUDKLXCMUHLM-QHCPKHFHSA-N 0 0 461.632 3.035 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1nncn1C ZINC001492444575 1065499798 /nfs/dbraw/zinc/49/97/98/1065499798.db2.gz DFTKKFSQCQGNCP-UHFFFAOYSA-N 0 0 451.604 3.042 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)Cc3cnn(C)c3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001492444364 1065499820 /nfs/dbraw/zinc/49/98/20/1065499820.db2.gz BWEBIVDIDXPCNT-UHFFFAOYSA-N 0 0 453.616 3.294 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@]2(C)COCCO2)cc1 ZINC001492444899 1065499842 /nfs/dbraw/zinc/49/98/42/1065499842.db2.gz FUAUDKLXCMUHLM-HSZRJFAPSA-N 0 0 461.632 3.035 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCS(C)(=O)=O)cc1 ZINC001492447155 1065500950 /nfs/dbraw/zinc/50/09/50/1065500950.db2.gz XXNHMTHWHKCFTI-UHFFFAOYSA-N 0 0 474.656 3.473 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[C@H]2CCO[C@@H](C)C2)cc1 ZINC001492446556 1065501020 /nfs/dbraw/zinc/50/10/20/1065501020.db2.gz PUYZXDARFANYFP-SFTDATJTSA-N 0 0 487.670 3.379 20 0 JGADRN Cc1c(CN(C)c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(C)C)cnn1C ZINC001492447157 1065501176 /nfs/dbraw/zinc/50/11/76/1065501176.db2.gz YAWFDAXTJHOVSW-UHFFFAOYSA-N 0 0 455.632 3.426 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC001492449339 1065502440 /nfs/dbraw/zinc/50/24/40/1065502440.db2.gz RZLNFOWVEJSOTB-KOSHJBKYSA-N 0 0 476.643 3.254 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCn2cncn2)cc1 ZINC001492451831 1065502804 /nfs/dbraw/zinc/50/28/04/1065502804.db2.gz AZKGJMYABYZXPM-WBVHZDCISA-N 0 0 467.521 3.327 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCn2cncn2)cc1 ZINC001492451826 1065502889 /nfs/dbraw/zinc/50/28/89/1065502889.db2.gz AZKGJMYABYZXPM-DOTOQJQBSA-N 0 0 467.521 3.327 20 0 JGADRN Cc1nc(CCn2c(CSc3ccc(C)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)n[nH]1 ZINC001492449362 1065503023 /nfs/dbraw/zinc/50/30/23/1065503023.db2.gz SJRATHXGDIMHTE-UHFFFAOYSA-N 0 0 484.674 3.095 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001492449443 1065503099 /nfs/dbraw/zinc/50/30/99/1065503099.db2.gz UNLQKTZSUIKHLF-QFIPXVFZSA-N 0 0 464.657 3.055 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2Cc2ncn(C)n2)cc1 ZINC001492452220 1065503611 /nfs/dbraw/zinc/50/36/11/1065503611.db2.gz FYACQNIKGOTHNE-GOEBONIOSA-N 0 0 467.521 3.212 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCCO3)n2CC2CCS(=O)(=O)CC2)cc1 ZINC001492452800 1065503934 /nfs/dbraw/zinc/50/39/34/1065503934.db2.gz JYRSDSUALFGFLE-LJQANCHMSA-N 0 0 464.657 3.319 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ncccc2N(C)C)cc1 ZINC001492457154 1065506903 /nfs/dbraw/zinc/50/69/03/1065506903.db2.gz WHCDMQVJRULQJK-XMMPIXPASA-N 0 0 465.627 3.090 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(NC(=O)c4ccsc4)CC3)n2CC(=O)N(C)C)cc1 ZINC001492459680 1065507373 /nfs/dbraw/zinc/50/73/73/1065507373.db2.gz FUTLUAAAMOSVQK-UHFFFAOYSA-N 0 0 498.678 3.427 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC2(O)CCCCC2)cc1 ZINC001492459379 1065507512 /nfs/dbraw/zinc/50/75/12/1065507512.db2.gz CWPPSMZPWCAPOE-UHFFFAOYSA-N 0 0 473.643 3.045 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(CO)CC3)n2CCN2CCOCC2(C)C)cc1 ZINC001492459776 1065507523 /nfs/dbraw/zinc/50/75/23/1065507523.db2.gz IBBNMUCNCOLHAT-UHFFFAOYSA-N 0 0 459.660 3.198 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@@H]2C[C@@H]2C)cc1 ZINC001492459359 1065507665 /nfs/dbraw/zinc/50/76/65/1065507665.db2.gz CGPLNGLZOZZTBJ-HKUYNNGSSA-N 0 0 463.673 3.300 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC2(O)CC2)cc1 ZINC001492460006 1065508070 /nfs/dbraw/zinc/50/80/70/1065508070.db2.gz MVVJEGVDNIXMQY-UHFFFAOYSA-N 0 0 483.560 3.299 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(OC(C)(C)C)CC3)n2Cc2nnn(C)n2)cc1 ZINC001492460091 1065508082 /nfs/dbraw/zinc/50/80/82/1065508082.db2.gz OJHAMVWGDQHKHI-UHFFFAOYSA-N 0 0 456.620 3.235 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@H]2CCO[C@@H](C)C2)cc1 ZINC001492460525 1065509205 /nfs/dbraw/zinc/50/92/05/1065509205.db2.gz ZKTMZXVZGYPYKI-OALUTQOASA-N 0 0 493.699 3.212 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](N4CCCS4(=O)=O)C3)n2CCCCCO)cc1 ZINC001492462081 1065510654 /nfs/dbraw/zinc/51/06/54/1065510654.db2.gz LXDUSCKMFXSMMI-FQEVSTJZSA-N 0 0 493.699 3.046 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCCNC(=O)C(C)C)cc1 ZINC001492462669 1065510921 /nfs/dbraw/zinc/51/09/21/1065510921.db2.gz QITZBDIRHYQZLJ-HXUWFJFHSA-N 0 0 482.658 3.474 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@]2(O)CCO[C@@H]2C)cc1 ZINC001492462696 1065510943 /nfs/dbraw/zinc/51/09/43/1065510943.db2.gz QJNUZXNHKFWGQB-CJFMBICVSA-N 0 0 487.670 3.113 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001492462699 1065510955 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/nfs/dbraw/zinc/54/97/53/1065549753.db2.gz YINAFARBWDMSMQ-LPHOPBHVSA-N 0 0 497.600 3.322 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[S@](=O)C(C)(C)C)CC[C@H]1C ZINC001300822219 1065549762 /nfs/dbraw/zinc/54/97/62/1065549762.db2.gz YYSZASQDTSABSH-MWWQNTRASA-N 0 0 472.615 3.002 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC[C@H]1C ZINC001300822986 1065550772 /nfs/dbraw/zinc/55/07/72/1065550772.db2.gz MIHMRAAKCRXKQF-WJFTUGDTSA-N 0 0 451.612 3.146 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1(C)C ZINC001300823614 1065551043 /nfs/dbraw/zinc/55/10/43/1065551043.db2.gz BSSCXMNNJHKNPU-GOSISDBHSA-N 0 0 467.035 3.351 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1(C)C ZINC001300825960 1065554467 /nfs/dbraw/zinc/55/44/67/1065554467.db2.gz KYQPMTMYVUKBGC-GOSISDBHSA-N 0 0 452.596 3.083 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@H]2COCCO2)CC[C@@H]1C ZINC001300825869 1065554511 /nfs/dbraw/zinc/55/45/11/1065554511.db2.gz UVUQNXYSTLVNGP-JSXRDJHFSA-N 0 0 493.649 3.059 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@@H]2COCCO2)CC[C@H]1C ZINC001300825871 1065554611 /nfs/dbraw/zinc/55/46/11/1065554611.db2.gz UVUQNXYSTLVNGP-XRXFAXGQSA-N 0 0 493.649 3.059 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cccnc2)CC[C@H]1C ZINC001300826421 1065555063 /nfs/dbraw/zinc/55/50/63/1065555063.db2.gz QFXOQCMHZDECRS-HLAWJBBLSA-N 0 0 486.617 3.085 20 0 JGADRN CO[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCSC(C)C)CC[C@H]1C ZINC001300826703 1065555535 /nfs/dbraw/zinc/55/55/35/1065555535.db2.gz WFNQXXQQQRZZLG-UYAOXDASSA-N 0 0 459.664 3.455 20 0 JGADRN CO[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCCO)CC[C@H]1C ZINC001300827579 1065556950 /nfs/dbraw/zinc/55/69/50/1065556950.db2.gz ZORRWTJBMOVZJQ-QUCCMNQESA-N 0 0 465.639 3.416 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(O)c2)CC1(C)C ZINC001300828886 1065558127 /nfs/dbraw/zinc/55/81/27/1065558127.db2.gz YJHKPGGRZKORIE-WOJBJXKFSA-N 0 0 487.601 3.202 20 0 JGADRN CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)/C=C\c1cc(Br)c(O)c(OC)c1 ZINC001300829737 1065559734 /nfs/dbraw/zinc/55/97/34/1065559734.db2.gz YNNYFXRBTUUOLG-PYTPGESOSA-N 0 0 450.285 3.459 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1(C)C ZINC001300832584 1065565881 /nfs/dbraw/zinc/56/58/81/1065565881.db2.gz AHIQTHXGPBUHJK-IAGOWNOFSA-N 0 0 473.565 3.055 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1(C)C ZINC001300832581 1065565950 /nfs/dbraw/zinc/56/59/50/1065565950.db2.gz AHIQTHXGPBUHJK-DLBZAZTESA-N 0 0 473.565 3.055 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001300834323 1065568872 /nfs/dbraw/zinc/56/88/72/1065568872.db2.gz LWXZLQQZTQFAQY-NLWGTHIKSA-N 0 0 458.607 3.381 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001300834322 1065568895 /nfs/dbraw/zinc/56/88/95/1065568895.db2.gz LWXZLQQZTQFAQY-CMKODMSKSA-N 0 0 458.607 3.381 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCS(=O)(=O)Cc2ccccc2)CC[C@@H]1C ZINC001300834598 1065569572 /nfs/dbraw/zinc/56/95/72/1065569572.db2.gz NHCNDHACXLSBPV-NZQKXSOJSA-N 0 0 483.638 3.130 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCN(C)C(=O)OC(C)(C)C)CC[C@H]1C ZINC001300834643 1065569602 /nfs/dbraw/zinc/56/96/02/1065569602.db2.gz OAKPANPKNYGKRX-QUCCMNQESA-N 0 0 458.607 3.382 20 0 JGADRN C[C@@]1(C(=O)N2CCC(n3nncc3I)CC2)CCc2ccccc2C1 ZINC001300835073 1065570925 /nfs/dbraw/zinc/57/09/25/1065570925.db2.gz FNOZCZQCEOMQKX-LJQANCHMSA-N 0 0 450.324 3.241 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1(C)C ZINC001300835439 1065571356 /nfs/dbraw/zinc/57/13/56/1065571356.db2.gz SDVGGTSAIYRPEL-ROUUACIJSA-N 0 0 487.592 3.445 20 0 JGADRN COc1ccc(/C(C)=C\C(=O)N2CCC(n3nncc3I)CC2)cc1 ZINC001300835584 1065571395 /nfs/dbraw/zinc/57/13/95/1065571395.db2.gz OIGQTJYEDWCZAS-QBFSEMIESA-N 0 0 452.296 3.158 20 0 JGADRN COc1cccc2cc(C(=O)N3CCC(n4nncc4I)CC3)oc21 ZINC001300835663 1065571513 /nfs/dbraw/zinc/57/15/13/1065571513.db2.gz PLUKKHQIPYWLNA-UHFFFAOYSA-N 0 0 452.252 3.115 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)c2ccco2)CC[C@@H]1C ZINC001300836973 1065572613 /nfs/dbraw/zinc/57/26/13/1065572613.db2.gz BGSJVUBFUANLCD-GHTZIAJQSA-N 0 0 453.543 3.050 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCOC2=O)CC1(C)C ZINC001300837204 1065573095 /nfs/dbraw/zinc/57/30/95/1065573095.db2.gz CAWKNBJYIHGACR-SFHVURJKSA-N 0 0 463.966 3.214 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CCCNC(=O)C(C)C)CC1(C)C ZINC001300838580 1065574624 /nfs/dbraw/zinc/57/46/24/1065574624.db2.gz MLIXWBKCHIUOND-NRFANRHFSA-N 0 0 457.619 3.497 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)NC(C)(C)C)CC[C@H]1C ZINC001300838322 1065574658 /nfs/dbraw/zinc/57/46/58/1065574658.db2.gz DDZIFHOCFRGTEI-WIYYLYMNSA-N 0 0 452.603 3.447 20 0 JGADRN CO[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1(C)C ZINC001300838489 1065574770 /nfs/dbraw/zinc/57/47/70/1065574770.db2.gz FKWARFMAGIZQHY-HXUWFJFHSA-N 0 0 460.644 3.282 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1(C)C ZINC001300840589 1065577949 /nfs/dbraw/zinc/57/79/49/1065577949.db2.gz VLMPXGQERAVXCJ-GHTZIAJQSA-N 0 0 459.566 3.116 20 0 JGADRN CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCO[C@@H](C)C2)CC[C@@H]1C ZINC001300840427 1065578028 /nfs/dbraw/zinc/57/80/28/1065578028.db2.gz DSMRCZFNBSNWNT-INDMIFKZSA-N 0 0 461.632 3.336 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001300841653 1065579774 /nfs/dbraw/zinc/57/97/74/1065579774.db2.gz IDANUTAWCJPMBA-DENIHFKCSA-N 0 0 476.643 3.160 20 0 JGADRN COc1ccc(C(=O)CCC(=O)NC2(CN3CCN(c4ccccc4)CC3)CC2)cc1OC ZINC001300842379 1065580262 /nfs/dbraw/zinc/58/02/62/1065580262.db2.gz RFCMLFPLONUYFH-UHFFFAOYSA-N 0 0 451.567 3.138 20 0 JGADRN CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccc(Cl)cn2)CC1(C)C ZINC001300842134 1065580346 /nfs/dbraw/zinc/58/03/46/1065580346.db2.gz LCAORQPMFLTCHV-SFHVURJKSA-N 0 0 459.982 3.128 20 0 JGADRN CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CC(C)C)c2C)CC[C@H]1C ZINC001300842522 1065580780 /nfs/dbraw/zinc/58/07/80/1065580780.db2.gz MUJAZAADOOEPLO-VGSWGCGISA-N 0 0 454.623 3.210 20 0 JGADRN CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCCC2(C)C)CC1(C)C ZINC001300842917 1065580932 /nfs/dbraw/zinc/58/09/32/1065580932.db2.gz OGKNXNSYXNOSJR-UZUQRXQVSA-N 0 0 461.632 3.072 20 0 JGADRN CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)nc2)CC1(C)C ZINC001300842913 1065580943 /nfs/dbraw/zinc/58/09/43/1065580943.db2.gz OESQBUAJLGEIOM-MRXNPFEDSA-N 0 0 460.991 3.228 20 0 JGADRN CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(COC(C)(C)C)on2)CC[C@H]1C ZINC001300844083 1065584150 /nfs/dbraw/zinc/58/41/50/1065584150.db2.gz QQHUPYOZSJGUAD-IERDGZPVSA-N 0 0 471.606 3.352 20 0 JGADRN CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](C)COCc2ccccc2)CC1(C)C ZINC001300844218 1065584635 /nfs/dbraw/zinc/58/46/35/1065584635.db2.gz XHEJLITXXDRIQU-PZJWPPBQSA-N 0 0 455.603 3.115 20 0 JGADRN CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCOc2ccc(C)cc2)CC[C@@H]1C ZINC001300845451 1065586345 /nfs/dbraw/zinc/58/63/45/1065586345.db2.gz TWOHMTSDLXFGCY-RBBKRZOGSA-N 0 0 455.603 3.429 20 0 JGADRN CO[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCOc2ccc(C)cc2)CC[C@H]1C ZINC001300845126 1065586384 /nfs/dbraw/zinc/58/63/84/1065586384.db2.gz TWOHMTSDLXFGCY-IRLDBZIGSA-N 0 0 455.603 3.429 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccc(F)cc2)CC[C@@H]1C ZINC001300845652 1065587449 /nfs/dbraw/zinc/58/74/49/1065587449.db2.gz VIBSHMDUARGGHA-VZDNWZCBSA-N 0 0 456.566 3.048 20 0 JGADRN CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(Cl)cn2)CC[C@@H]1C ZINC001300845838 1065587891 /nfs/dbraw/zinc/58/78/91/1065587891.db2.gz XUXJAGXTNJQPRZ-RDJZCZTQSA-N 0 0 491.017 3.258 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(C)(C)O)c2)CC[C@@H]1C ZINC001300845988 1065588375 /nfs/dbraw/zinc/58/83/75/1065588375.db2.gz YSVTYQQNIJGTHS-HTAPYJJXSA-N 0 0 452.603 3.277 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)CN2CCOCC2)CC[C@@H]1C ZINC001300845877 1065588579 /nfs/dbraw/zinc/58/85/79/1065588579.db2.gz YLQQXFIXNDNLNY-WPFOTENUSA-N 0 0 471.646 3.303 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2snnc2C)CC[C@@H]1C ZINC001300846080 1065588968 /nfs/dbraw/zinc/58/89/68/1065588968.db2.gz BMKZDBKOBHZXQC-QMCVQRASSA-N 0 0 477.635 3.118 20 0 JGADRN CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)n(C)c2=O)CC[C@@H]1C ZINC001300846105 1065588996 /nfs/dbraw/zinc/58/89/96/1065588996.db2.gz BUJNXZMXWZPZGH-NASSWSRMSA-N 0 0 457.619 3.113 20 0 JGADRN CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCOC[C@H]2C)CC1(C)C ZINC001300846087 1065589234 /nfs/dbraw/zinc/58/92/34/1065589234.db2.gz BQOKOFJPRUHOPY-TZIWHRDSSA-N 0 0 459.660 3.461 20 0 JGADRN CO[C@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001300846074 1065589385 /nfs/dbraw/zinc/58/93/85/1065589385.db2.gz BMHAFERURVULBF-APWZRJJASA-N 0 0 499.509 3.360 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C(C)C)CC[C@H]1C ZINC001300849179 1065591958 /nfs/dbraw/zinc/59/19/58/1065591958.db2.gz NRQGZXIAYGEZEI-HLSAHWISSA-N 0 0 465.639 3.317 20 0 JGADRN CO[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)nc2)CC[C@H]1C ZINC001300849940 1065593052 /nfs/dbraw/zinc/59/30/52/1065593052.db2.gz PDCDAFGAGPTTQL-PBASOCQRSA-N 0 0 499.660 3.419 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)nc2)CC[C@H]1C ZINC001300849938 1065593181 /nfs/dbraw/zinc/59/31/81/1065593181.db2.gz PDCDAFGAGPTTQL-AYWYSENESA-N 0 0 499.660 3.419 20 0 JGADRN COC(=O)[C@H]1CC(F)(F)CN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC001300849826 1065593302 /nfs/dbraw/zinc/59/33/02/1065593302.db2.gz WLBGVAWYOLRWJO-QGZVFWFLSA-N 0 0 452.479 3.127 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCSC2)CC[C@H]1C ZINC001300851227 1065595508 /nfs/dbraw/zinc/59/55/08/1065595508.db2.gz VAHZJBJCBYKUJE-MIVHDCIWSA-N 0 0 481.663 3.079 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(C(N)=O)c2)CC[C@@H]1C ZINC001300851728 1065596595 /nfs/dbraw/zinc/59/65/95/1065596595.db2.gz XHGMOQVQIZNBLM-LLUDDFSJSA-N 0 0 455.603 3.205 20 0 JGADRN CO[C@H]1COCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CC(F)C1 ZINC001300852619 1065598457 /nfs/dbraw/zinc/59/84/57/1065598457.db2.gz FHJYHTLRRLVSDC-LQPXBXSXSA-N 0 0 459.566 3.383 20 0 JGADRN CO[C@H]1COCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCCCC1 ZINC001300853381 1065598935 /nfs/dbraw/zinc/59/89/35/1065598935.db2.gz GVNUXMNDJYOZCG-ICSRJNTNSA-N 0 0 461.994 3.293 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccco1 ZINC001300853188 1065598958 /nfs/dbraw/zinc/59/89/58/1065598958.db2.gz FNPVIMHNXXJDND-WIYYLYMNSA-N 0 0 453.543 3.428 20 0 JGADRN 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CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCN1CCOCC1 ZINC001300855384 1065604054 /nfs/dbraw/zinc/60/40/54/1065604054.db2.gz FIZFKFXFDAIRCB-JXFKEZNVSA-N 0 0 484.428 3.072 20 0 JGADRN CO[C@@H]1COCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCC1 ZINC001300855549 1065604790 /nfs/dbraw/zinc/60/47/90/1065604790.db2.gz QDBRZJAYFCKAIN-MAUKXSAKSA-N 0 0 452.397 3.334 20 0 JGADRN CO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCOC[C@H]2OC)C1 ZINC001300855644 1065604800 /nfs/dbraw/zinc/60/48/00/1065604800.db2.gz HIFKPMUSZSYNBI-DHSIGJKJSA-N 0 0 469.355 3.123 20 0 JGADRN CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCSCC1 ZINC001300855524 1065604879 /nfs/dbraw/zinc/60/48/79/1065604879.db2.gz GIQISBJNVATTNB-QWHCGFSZSA-N 0 0 459.435 3.374 20 0 JGADRN CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCSCC1 ZINC001300855526 1065604898 /nfs/dbraw/zinc/60/48/98/1065604898.db2.gz GIQISBJNVATTNB-STQMWFEESA-N 0 0 459.435 3.374 20 0 JGADRN CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1C ZINC001300856318 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Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001304093302 1067136984 /nfs/dbraw/zinc/13/69/84/1067136984.db2.gz LOUFIYCINIIKJG-HNNXBMFYSA-N 0 0 450.511 3.120 20 0 JGADRN Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C(N)=O)nc1 ZINC001304093601 1067136996 /nfs/dbraw/zinc/13/69/96/1067136996.db2.gz PBFXWFXRTVMBPA-UHFFFAOYSA-N 0 0 452.465 3.227 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1Cc1cccc(OCC(N)=O)c1 ZINC001304094255 1067137575 /nfs/dbraw/zinc/13/75/75/1067137575.db2.gz DRCLGOCPEQTWSS-UHFFFAOYSA-N 0 0 468.608 3.244 20 0 JGADRN CSC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001302518520 1067137875 /nfs/dbraw/zinc/13/78/75/1067137875.db2.gz KKOSOFAOWHIKSZ-QGZVFWFLSA-N 0 0 459.616 3.210 20 0 JGADRN Cc1c(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO[C@H]2C(C)C)cnn1C ZINC001304097432 1067138762 /nfs/dbraw/zinc/13/87/62/1067138762.db2.gz QGNHAMMTRXBGGT-GCJKJVERSA-N 0 0 485.658 3.399 20 0 JGADRN CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001302519479 1067139639 /nfs/dbraw/zinc/13/96/39/1067139639.db2.gz OZNLKOHTQFOYRG-AOIWGVFYSA-N 0 0 494.662 3.147 20 0 JGADRN Cc1c2cc(F)ccc2oc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001304097837 1067139961 /nfs/dbraw/zinc/13/99/61/1067139961.db2.gz GGSSCAUBUOMTHT-CVEARBPZSA-N 0 0 491.589 3.014 20 0 JGADRN Cc1oc2ccccc2c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001304098181 1067140605 /nfs/dbraw/zinc/14/06/05/1067140605.db2.gz HLRHMTNDTWFIBH-UHFFFAOYSA-N 0 0 481.601 3.149 20 0 JGADRN Cc1c(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)cnn1C ZINC001304098189 1067140623 /nfs/dbraw/zinc/14/06/23/1067140623.db2.gz HTVRJSMCCITSNK-GOSISDBHSA-N 0 0 492.397 3.416 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C ZINC001304098233 1067140645 /nfs/dbraw/zinc/14/06/45/1067140645.db2.gz MNVWGWQSHFRNKR-KDLAUNOPSA-N 0 0 475.590 3.428 20 0 JGADRN CSC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001302521047 1067140608 /nfs/dbraw/zinc/14/06/08/1067140608.db2.gz CDLISWRVZYOZPK-UHFFFAOYSA-N 0 0 473.521 3.495 20 0 JGADRN CSC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001302521407 1067140669 /nfs/dbraw/zinc/14/06/69/1067140669.db2.gz FFCWFFYKONPOPC-IAGOWNOFSA-N 0 0 469.652 3.391 20 0 JGADRN CSC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001302521386 1067140742 /nfs/dbraw/zinc/14/07/42/1067140742.db2.gz DJWWYSAGWBONNM-AEFFLSMTSA-N 0 0 458.632 3.027 20 0 JGADRN Cc1nnsc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001304098394 1067140981 /nfs/dbraw/zinc/14/09/81/1067140981.db2.gz LBJTVMILHWDOOP-HNNXBMFYSA-N 0 0 478.582 3.297 20 0 JGADRN Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@@H]3CC3(F)F)CC2)cnn1CC(C)C ZINC001304098553 1067141068 /nfs/dbraw/zinc/14/10/68/1067141068.db2.gz NUUNGXXFIRZWEZ-IBGZPJMESA-N 0 0 463.577 3.497 20 0 JGADRN Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Oc3ncccc3F)CC2)cnn1CC(C)C ZINC001304098552 1067141075 /nfs/dbraw/zinc/14/10/75/1067141075.db2.gz NUPFUOSLCNFBTK-UHFFFAOYSA-N 0 0 498.607 3.207 20 0 JGADRN CSC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(F)(F)F ZINC001302521460 1067141061 /nfs/dbraw/zinc/14/10/61/1067141061.db2.gz MJAXUNAOPGFMPG-UHFFFAOYSA-N 0 0 450.556 3.378 20 0 JGADRN Cc1ccsc1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001304098865 1067141690 /nfs/dbraw/zinc/14/16/90/1067141690.db2.gz QVYBWOMXUBHVCG-UHFFFAOYSA-N 0 0 465.505 3.206 20 0 JGADRN Cc1c(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCO2)cnn1C ZINC001304099193 1067142084 /nfs/dbraw/zinc/14/20/84/1067142084.db2.gz XHZXWYUPLHMMBF-YZGWKJHDSA-N 0 0 471.606 3.072 20 0 JGADRN Cc1c(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ncccc2N(C)C)cnn1C ZINC001304098963 1067142164 /nfs/dbraw/zinc/14/21/64/1067142164.db2.gz WGSMIUCXXWLICZ-DENIHFKCSA-N 0 0 466.634 3.384 20 0 JGADRN Cc1ccoc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001304099211 1067142213 /nfs/dbraw/zinc/14/22/13/1067142213.db2.gz YEIQGLPILFZZSC-UHFFFAOYSA-N 0 0 456.934 3.192 20 0 JGADRN CSC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001302522812 1067142909 /nfs/dbraw/zinc/14/29/09/1067142909.db2.gz VAWACRODOCKLLL-OAHLLOKOSA-N 0 0 462.645 3.421 20 0 JGADRN Cc1nnsc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCC(F)F ZINC001304100035 1067142916 /nfs/dbraw/zinc/14/29/16/1067142916.db2.gz CIVOIZXSKZZLJE-UHFFFAOYSA-N 0 0 455.922 3.161 20 0 JGADRN Cc1c(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCOc2ccc(Cl)cc2)cnn1C ZINC001304101434 1067143360 /nfs/dbraw/zinc/14/33/60/1067143360.db2.gz VBVCOULZVJLFLJ-UHFFFAOYSA-N 0 0 480.960 3.184 20 0 JGADRN CSC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001302523259 1067144022 /nfs/dbraw/zinc/14/40/22/1067144022.db2.gz QEPNFTWERNYPGH-UHFFFAOYSA-N 0 0 497.669 3.028 20 0 JGADRN Cc1ccsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nccs2)CC1 ZINC001304102953 1067144013 /nfs/dbraw/zinc/14/40/13/1067144013.db2.gz DMFKWHHTRQQRLU-CQSZACIVSA-N 0 0 466.658 3.147 20 0 JGADRN Cc1ccsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)c(F)c1 ZINC001304103382 1067144036 /nfs/dbraw/zinc/14/40/36/1067144036.db2.gz HHQRTYPUVMLAMA-CYBMUJFWSA-N 0 0 455.556 3.221 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccc(Cl)cc2NCC(F)(F)F)C1 ZINC001304103854 1067144583 /nfs/dbraw/zinc/14/45/83/1067144583.db2.gz FZXLXBGFVWLMEH-SFHVURJKSA-N 0 0 451.873 3.416 20 0 JGADRN Cc1c(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(CC(F)F)CC2)cnn1C ZINC001304104137 1067145239 /nfs/dbraw/zinc/14/52/39/1067145239.db2.gz HAIKLBXRDWANEI-UHFFFAOYSA-N 0 0 453.900 3.215 20 0 JGADRN CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1cnccn1)NC(=O)OC(C)(C)C ZINC001302524033 1067145825 /nfs/dbraw/zinc/14/58/25/1067145825.db2.gz BLOROQACFLTHKG-FQEVSTJZSA-N 0 0 466.590 3.240 20 0 JGADRN Cc1nnsc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001304105439 1067147105 /nfs/dbraw/zinc/14/71/05/1067147105.db2.gz QVFCRZUDXCKKJF-DLBZAZTESA-N 0 0 487.605 3.459 20 0 JGADRN CSC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001302525410 1067147986 /nfs/dbraw/zinc/14/79/86/1067147986.db2.gz DXKBBPCWGRAFSL-XBMUEBEBSA-N 0 0 469.721 3.023 20 0 JGADRN Cc1ccoc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1Br ZINC001304106374 1067148381 /nfs/dbraw/zinc/14/83/81/1067148381.db2.gz VEUCOZOVJSHYPY-AWEZNQCLSA-N 0 0 482.404 3.237 20 0 JGADRN CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnccn1)NC(=O)OC(C)(C)C ZINC001302525704 1067148665 /nfs/dbraw/zinc/14/86/65/1067148665.db2.gz SJJJXBLCTVEMBS-IEBWSBKVSA-N 0 0 459.595 3.148 20 0 JGADRN Cc1c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](COC(C)C)C2)cnn1C ZINC001304106401 1067148908 /nfs/dbraw/zinc/14/89/08/1067148908.db2.gz VMTILCHOGCKAKY-ICSRJNTNSA-N 0 0 472.565 3.278 20 0 JGADRN Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=C(C(C)(C)C)CC2)cnn1CC(C)C ZINC001304106415 1067148923 /nfs/dbraw/zinc/14/89/23/1067148923.db2.gz VRXOKWBEALTTTO-QGZVFWFLSA-N 0 0 477.679 3.280 20 0 JGADRN Cc1nnsc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001304106933 1067149235 /nfs/dbraw/zinc/14/92/35/1067149235.db2.gz VKQHGZXZUUSCNH-CQSZACIVSA-N 0 0 466.409 3.495 20 0 JGADRN Cc1nnsc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1C(C)C ZINC001304107424 1067149355 /nfs/dbraw/zinc/14/93/55/1067149355.db2.gz WARHVJJNXXMKSO-SFHVURJKSA-N 0 0 475.644 3.028 20 0 JGADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001304106751 1067149375 /nfs/dbraw/zinc/14/93/75/1067149375.db2.gz WKTJQGSIZVKJOR-QFIPXVFZSA-N 0 0 453.967 3.426 20 0 JGADRN Cc1ccsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001304107532 1067149928 /nfs/dbraw/zinc/14/99/28/1067149928.db2.gz YBBRBDVJQXZDBE-OAHLLOKOSA-N 0 0 484.047 3.475 20 0 JGADRN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001302526172 1067149954 /nfs/dbraw/zinc/14/99/54/1067149954.db2.gz VBRAMTPNPQJRSJ-ZSYWTGECSA-N 0 0 481.663 3.108 20 0 JGADRN CSC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC(N)=O ZINC001302526515 1067150562 /nfs/dbraw/zinc/15/05/62/1067150562.db2.gz KCAQIXDNXCKDQM-OAHLLOKOSA-N 0 0 468.668 3.234 20 0 JGADRN Cc1c(Cn2c(-c3ccccc3Br)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cnn1C ZINC001304109163 1067151099 /nfs/dbraw/zinc/15/10/99/1067151099.db2.gz JYOHCCCEHQJWNH-ZFWWWQNUSA-N 0 0 495.447 3.056 20 0 JGADRN CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC001302526557 1067151773 /nfs/dbraw/zinc/15/17/73/1067151773.db2.gz WFELKUSZPSIDCI-SJORKVTESA-N 0 0 471.668 3.039 20 0 JGADRN CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC001302526555 1067151819 /nfs/dbraw/zinc/15/18/19/1067151819.db2.gz WFELKUSZPSIDCI-IRXDYDNUSA-N 0 0 471.668 3.039 20 0 JGADRN Cc1ccoc1Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001304110275 1067152083 /nfs/dbraw/zinc/15/20/83/1067152083.db2.gz FEDWLFWCOZQLDI-QGZVFWFLSA-N 0 0 498.609 3.055 20 0 JGADRN 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ZINC001304146589 1067190741 /nfs/dbraw/zinc/19/07/41/1067190741.db2.gz HWGWDXCARYHUNI-IBGZPJMESA-N 0 0 458.607 3.377 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc([C@@H]4CCCCO4)n3CCCCOC(C)C)CC2)no1 ZINC001304146816 1067190863 /nfs/dbraw/zinc/19/08/63/1067190863.db2.gz KNPADRQZDIBTBQ-NRFANRHFSA-N 0 0 474.606 3.420 20 0 JGADRN Cc1cc(C(=O)N2CCN(c3nnc(Cc4ccsc4)n3CCOCC(F)F)CC2)c(C)o1 ZINC001304146923 1067191293 /nfs/dbraw/zinc/19/12/93/1067191293.db2.gz UWVVCUQNBYDWKY-UHFFFAOYSA-N 0 0 479.553 3.384 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(C(C)(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)cn1 ZINC001302553761 1067191620 /nfs/dbraw/zinc/19/16/20/1067191620.db2.gz NMTRNKYSOZCFIM-DEOSSOPVSA-N 0 0 473.691 3.333 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCCN3CCCCC3=O)CC2)c(C)o1 ZINC001304147155 1067191858 /nfs/dbraw/zinc/19/18/58/1067191858.db2.gz YIQGNZMEHOSVAB-UHFFFAOYSA-N 0 0 470.618 3.413 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc([C@H]4CCOC4)n3CC(C)(C)C(F)(F)F)CC2)no1 ZINC001304147268 1067192375 /nfs/dbraw/zinc/19/23/75/1067192375.db2.gz PLHZXZGCRUMLQI-AWEZNQCLSA-N 0 0 470.496 3.066 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc([C@@H]4CCOC4)n3CC(C)(C)C(F)(F)F)CC2)no1 ZINC001304147269 1067192403 /nfs/dbraw/zinc/19/24/03/1067192403.db2.gz PLHZXZGCRUMLQI-CQSZACIVSA-N 0 0 470.496 3.066 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)c2ccccc2F)cn1 ZINC001302554607 1067192910 /nfs/dbraw/zinc/19/29/10/1067192910.db2.gz MOSIDPADBPUIRB-HXUWFJFHSA-N 0 0 480.592 3.445 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)nc3)CC2)no1 ZINC001304147419 1067192997 /nfs/dbraw/zinc/19/29/97/1067192997.db2.gz RSGDLBLRFDAUMX-UHFFFAOYSA-N 0 0 480.617 3.071 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc([C@H]4CCCO4)n3CCOCC(F)F)CC2)c(C)o1 ZINC001304147615 1067193101 /nfs/dbraw/zinc/19/31/01/1067193101.db2.gz UTXGMOHFIJPDLZ-GOSISDBHSA-N 0 0 467.517 3.020 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCOC2CCOCC2)cn1 ZINC001302554916 1067193500 /nfs/dbraw/zinc/19/35/00/1067193500.db2.gz PJTARHDAINXXJI-HXUWFJFHSA-N 0 0 458.607 3.308 20 0 JGADRN CS[C@@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001302554813 1067193507 /nfs/dbraw/zinc/19/35/07/1067193507.db2.gz OZQKMCDYSHTWEQ-SMDDNHRTSA-N 0 0 454.478 3.113 20 0 JGADRN CS[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001302554790 1067193538 /nfs/dbraw/zinc/19/35/38/1067193538.db2.gz NYUFFRCFVBHBMJ-HOJAQTOUSA-N 0 0 494.706 3.449 20 0 JGADRN CS[C@@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001302554811 1067193541 /nfs/dbraw/zinc/19/35/41/1067193541.db2.gz OZQKMCDYSHTWEQ-FZMZJTMJSA-N 0 0 454.478 3.113 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)c(C)o1 ZINC001304147978 1067193588 /nfs/dbraw/zinc/19/35/88/1067193588.db2.gz ZGPVODRDYYDZRN-IZHWHUGBSA-N 0 0 487.988 3.204 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CO)CC2)c(C)o1 ZINC001304149260 1067194131 /nfs/dbraw/zinc/19/41/31/1067194131.db2.gz DXQYLVBIBRCTIO-OAQYLSRUSA-N 0 0 478.391 3.362 20 0 JGADRN CS[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001302556706 1067195282 /nfs/dbraw/zinc/19/52/82/1067195282.db2.gz ZQLZWYZFJXDFJU-TZIWHRDSSA-N 0 0 457.644 3.123 20 0 JGADRN CS[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC001302556712 1067195286 /nfs/dbraw/zinc/19/52/86/1067195286.db2.gz ZRSXYIUSEHWNKD-HBFSDRIKSA-N 0 0 485.658 3.327 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C(C)C)cn1 ZINC001302556992 1067195720 /nfs/dbraw/zinc/19/57/20/1067195720.db2.gz FPVXDWQSXVZRLC-HSZRJFAPSA-N 0 0 471.631 3.226 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)nc2)cn1 ZINC001302556974 1067195724 /nfs/dbraw/zinc/19/57/24/1067195724.db2.gz FEKYYYSDZROXSF-UHFFFAOYSA-N 0 0 457.586 3.323 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(C)nnc2N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C)o1 ZINC001304151209 1067195824 /nfs/dbraw/zinc/19/58/24/1067195824.db2.gz PNJDDHXQGMMVLE-XMMPIXPASA-N 0 0 455.534 3.196 20 0 JGADRN CC(C)c1nnc([C@@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CCOCC(F)F)CCO2)o1 ZINC001302557504 1067196306 /nfs/dbraw/zinc/19/63/06/1067196306.db2.gz MGGTUGPXJBAQAC-KRWDZBQOSA-N 0 0 480.491 3.374 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(CCc3ccccc3)n2CC2CCS(=O)(=O)CC2)cn1 ZINC001302557516 1067196354 /nfs/dbraw/zinc/19/63/54/1067196354.db2.gz MIYBBGYNTFWITR-UHFFFAOYSA-N 0 0 482.654 3.438 20 0 JGADRN C[C@@H](C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[C@H]1CCC(=O)N1 ZINC001304151625 1067197032 /nfs/dbraw/zinc/19/70/32/1067197032.db2.gz MWQCWECJDZTNJP-IEBWSBKVSA-N 0 0 457.571 3.092 20 0 JGADRN C[C@H](C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[C@H]1CCC(=O)N1 ZINC001304151627 1067197078 /nfs/dbraw/zinc/19/70/78/1067197078.db2.gz MWQCWECJDZTNJP-PKOBYXMFSA-N 0 0 457.571 3.092 20 0 JGADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)c(C)o1 ZINC001304151498 1067197081 /nfs/dbraw/zinc/19/70/81/1067197081.db2.gz RATZOSRCAVPWPO-VWLOTQADSA-N 0 0 495.605 3.498 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCOC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(C)o1 ZINC001304151811 1067197520 /nfs/dbraw/zinc/19/75/20/1067197520.db2.gz JXFFCVMRWLTSFR-MOLVFEROSA-N 0 0 489.617 3.249 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(C)(C)CN2CCOCC2)c(C)o1 ZINC001304151717 1067197569 /nfs/dbraw/zinc/19/75/69/1067197569.db2.gz IMWXPCZKTMNQBS-BKMJKUGQSA-N 0 0 489.661 3.432 20 0 JGADRN CS[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)s1 ZINC001302558331 1067198182 /nfs/dbraw/zinc/19/81/82/1067198182.db2.gz MADSCDLCLRYHDH-NWDGAFQWSA-N 0 0 479.491 3.392 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(CN3CCCC3=O)n2Cc2nc(C(F)(F)F)cs2)cn1 ZINC001302558025 1067198260 /nfs/dbraw/zinc/19/82/60/1067198260.db2.gz UXVOKEZSPYGGQV-UHFFFAOYSA-N 0 0 494.547 3.474 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC=C(C(F)(F)F)CC2)c(C)o1 ZINC001304152218 1067198655 /nfs/dbraw/zinc/19/86/55/1067198655.db2.gz LKWAXPKHISXOAU-OXJNMPFZSA-N 0 0 453.465 3.046 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(C3CCCC3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(C)o1 ZINC001304152065 1067198685 /nfs/dbraw/zinc/19/86/85/1067198685.db2.gz KYPYOHZZVFTTRW-ZDPZECHZSA-N 0 0 452.621 3.311 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC(N)=O)c(C)o1 ZINC001304152378 1067199209 /nfs/dbraw/zinc/19/92/09/1067199209.db2.gz VSDQZPAFDVSMRJ-XDVIXQCFSA-N 0 0 473.549 3.375 20 0 JGADRN CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001302558942 1067199314 /nfs/dbraw/zinc/19/93/14/1067199314.db2.gz SPKKOBNLEVDNKI-HUUCEWRRSA-N 0 0 458.600 3.302 20 0 JGADRN CS[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC001302558975 1067200086 /nfs/dbraw/zinc/20/00/86/1067200086.db2.gz STFFFVBVBDMMDY-ZACQAIPSSA-N 0 0 470.686 3.179 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)c(C)o1 ZINC001304152459 1067200092 /nfs/dbraw/zinc/20/00/92/1067200092.db2.gz NRSSHEFAMYNYND-HFZDXXHNSA-N 0 0 480.613 3.122 20 0 JGADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](CC(N)=O)C2)c(C)o1 ZINC001304152872 1067200541 /nfs/dbraw/zinc/20/05/41/1067200541.db2.gz REINEXRRGNBODV-BVZFJXPGSA-N 0 0 469.561 3.217 20 0 JGADRN Cn1cnc(CCNC(=O)c2cn(-c3ccc(Br)cc3)cn2)c1Br ZINC001304153423 1067201003 /nfs/dbraw/zinc/20/10/03/1067201003.db2.gz KGOVCTMVYKOBQA-UHFFFAOYSA-N 0 0 453.138 3.103 20 0 JGADRN CC(C)c1nnc([C@@H]2CN(c3nnc(CNC(=O)c4cccs4)n3CCC(C)(F)F)CCO2)o1 ZINC001302560656 1067201108 /nfs/dbraw/zinc/20/11/08/1067201108.db2.gz BMMAWLAETIBQCB-AWEZNQCLSA-N 0 0 495.556 3.399 20 0 JGADRN CC(C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001302561401 1067201659 /nfs/dbraw/zinc/20/16/59/1067201659.db2.gz GJBROLLWWHBJKU-OLZOCXBDSA-N 0 0 474.530 3.038 20 0 JGADRN CC(C)c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001302561098 1067201802 /nfs/dbraw/zinc/20/18/02/1067201802.db2.gz DGVKLTVYDMEQOM-HZPDHXFCSA-N 0 0 457.641 3.059 20 0 JGADRN 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Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(OCC3CC3)CC2)c(C)c1 ZINC001304335027 1067381307 /nfs/dbraw/zinc/38/13/07/1067381307.db2.gz UXTUDYUJAUQYCE-IBGZPJMESA-N 0 0 475.659 3.143 20 0 JGADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC(N)=O)CC1 ZINC001302790589 1067381875 /nfs/dbraw/zinc/38/18/75/1067381875.db2.gz BMXLSIXUJIHCBV-OXQOHEQNSA-N 0 0 493.450 3.199 20 0 JGADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC[C@@H]1C ZINC001302790571 1067381894 /nfs/dbraw/zinc/38/18/94/1067381894.db2.gz BJKNSAXXINPADE-HQRMLTQVSA-N 0 0 464.657 3.351 20 0 JGADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCO[C@H]2C)o1 ZINC001304335723 1067381988 /nfs/dbraw/zinc/38/19/88/1067381988.db2.gz CFIPSAZKIOIDJZ-MHECFPHRSA-N 0 0 453.543 3.225 20 0 JGADRN Cc1ccc(CCn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC001304336200 1067382000 /nfs/dbraw/zinc/38/20/00/1067382000.db2.gz NNXPKSMPNGGXEA-QFIPXVFZSA-N 0 0 482.654 3.307 20 0 JGADRN Cc1ccc(CCn2c([C@H]3CCCCO3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)c(C)c1 ZINC001304336354 1067382025 /nfs/dbraw/zinc/38/20/25/1067382025.db2.gz OYLNBCZPCLIBAO-JOCHJYFZSA-N 0 0 475.659 3.239 20 0 JGADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCO[C@H]2C)o1 ZINC001304335724 1067382036 /nfs/dbraw/zinc/38/20/36/1067382036.db2.gz CFIPSAZKIOIDJZ-UUOWRZLLSA-N 0 0 453.543 3.225 20 0 JGADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001302790577 1067381999 /nfs/dbraw/zinc/38/19/99/1067381999.db2.gz BKZBUZAJKZMKKN-UFYCRDLUSA-N 0 0 490.649 3.069 20 0 JGADRN Cc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](OCC(C)C)C2)c(C)c1 ZINC001304336423 1067382250 /nfs/dbraw/zinc/38/22/50/1067382250.db2.gz PGMVAHCDRZCYIH-FGZHOGPDSA-N 0 0 460.644 3.291 20 0 JGADRN Cc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)c2nccs2)cc1 ZINC001304336523 1067382321 /nfs/dbraw/zinc/38/23/21/1067382321.db2.gz QHNIXZVGXRAVSM-IEBWSBKVSA-N 0 0 459.641 3.428 20 0 JGADRN 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CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001302794668 1067385477 /nfs/dbraw/zinc/38/54/77/1067385477.db2.gz BKELWWYWGXWVIR-RBBKRZOGSA-N 0 0 458.651 3.282 20 0 JGADRN Cc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2CC2CCN(CC(F)(F)F)CC2)o1 ZINC001304340847 1067385666 /nfs/dbraw/zinc/38/56/66/1067385666.db2.gz FIRFXJVSEXSCOL-UHFFFAOYSA-N 0 0 451.497 3.491 20 0 JGADRN Cc1ccc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cscc2C)s1 ZINC001304341900 1067385903 /nfs/dbraw/zinc/38/59/03/1067385903.db2.gz PGQAUKAQOPYLFC-SFHVURJKSA-N 0 0 481.669 3.036 20 0 JGADRN Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)o1 ZINC001304342340 1067385924 /nfs/dbraw/zinc/38/59/24/1067385924.db2.gz JGWBUHYJWGHYCR-FQEVSTJZSA-N 0 0 478.519 3.455 20 0 JGADRN Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)o1 ZINC001304341908 1067385931 /nfs/dbraw/zinc/38/59/31/1067385931.db2.gz PLHCXRFPPZUISS-SFHVURJKSA-N 0 0 478.018 3.342 20 0 JGADRN CC(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001302796430 1067385938 /nfs/dbraw/zinc/38/59/38/1067385938.db2.gz PAFGSIUJIQIZTN-GAJHUEQPSA-N 0 0 492.020 3.042 20 0 JGADRN Cc1ccc(CN(Cc2ccco2)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO2)s1 ZINC001304343085 1067386384 /nfs/dbraw/zinc/38/63/84/1067386384.db2.gz ACOMUXLBVQIKNX-WMZOPIPTSA-N 0 0 479.628 3.237 20 0 JGADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC001302797293 1067386377 /nfs/dbraw/zinc/38/63/77/1067386377.db2.gz HISMPXHKMKRTDS-YADHBBJMSA-N 0 0 489.686 3.289 20 0 JGADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CSCCS2)s1 ZINC001304343608 1067386695 /nfs/dbraw/zinc/38/66/95/1067386695.db2.gz ZVXLKAXNYAYUEC-ZBFHGGJFSA-N 0 0 458.700 3.035 20 0 JGADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2cncn2)o1 ZINC001304343761 1067386707 /nfs/dbraw/zinc/38/67/07/1067386707.db2.gz HWBKTTOSDDRMJM-SFHVURJKSA-N 0 0 456.551 3.180 20 0 JGADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N(C)C)s1 ZINC001304344197 1067387051 /nfs/dbraw/zinc/38/70/51/1067387051.db2.gz KYGAHTHVQXDPLR-UHFFFAOYSA-N 0 0 479.566 3.183 20 0 JGADRN O=C(NC1CC(NCC(F)(F)F)C1)c1cc(Br)nn1-c1ncccc1Cl ZINC001304343795 1067387073 /nfs/dbraw/zinc/38/70/73/1067387073.db2.gz WTTOAQJPWJTDMV-UHFFFAOYSA-N 0 0 452.662 3.096 20 0 JGADRN Cc1ccc(CN(C)c2nnc(CCCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)s1 ZINC001304344872 1067387269 /nfs/dbraw/zinc/38/72/69/1067387269.db2.gz SPWIIBZHSDGTKD-UHFFFAOYSA-N 0 0 488.679 3.399 20 0 JGADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC=C(C(F)(F)F)CC2)c(N2CCOCC2)c1 ZINC001304345267 1067387921 /nfs/dbraw/zinc/38/79/21/1067387921.db2.gz IJQDPYONGRMRDH-UHFFFAOYSA-N 0 0 492.546 3.308 20 0 JGADRN CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001302798959 1067387961 /nfs/dbraw/zinc/38/79/61/1067387961.db2.gz FFLQRZNUJMQBKQ-HNNXBMFYSA-N 0 0 465.425 3.232 20 0 JGADRN Cc1ccc(CN(Cc2ccco2)c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)N(C)C)s1 ZINC001304345368 1067387979 /nfs/dbraw/zinc/38/79/79/1067387979.db2.gz YDBPMSOEBNWDAQ-SFHVURJKSA-N 0 0 493.655 3.233 20 0 JGADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCC2(O)CCOCC2)s1 ZINC001304345228 1067387987 /nfs/dbraw/zinc/38/79/87/1067387987.db2.gz ZOEYOMZSFZBRCR-UHFFFAOYSA-N 0 0 475.640 3.208 20 0 JGADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC001304346251 1067388515 /nfs/dbraw/zinc/38/85/15/1067388515.db2.gz YOMXQWDEKIYSLW-UHFFFAOYSA-N 0 0 476.629 3.321 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001302799975 1067388819 /nfs/dbraw/zinc/38/88/19/1067388819.db2.gz SSNQWPYMQJCEQW-HKUYNNGSSA-N 0 0 497.566 3.025 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001302799977 1067389036 /nfs/dbraw/zinc/38/90/36/1067389036.db2.gz SSNQWPYMQJCEQW-MJGOQNOKSA-N 0 0 497.566 3.025 20 0 JGADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001302799996 1067389229 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CC(C)Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCc1cn2ccccc2n1 ZINC001302845901 1067431454 /nfs/dbraw/zinc/43/14/54/1067431454.db2.gz DDUYTVUPQFVEIP-UHFFFAOYSA-N 0 0 466.611 3.407 20 0 JGADRN CC(C)Cc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001302845792 1067431471 /nfs/dbraw/zinc/43/14/71/1067431471.db2.gz BEERVSXCONGWTM-ASPBEGMCSA-N 0 0 487.592 3.114 20 0 JGADRN O=C(NCc1ncc(Br)s1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001302845925 1067431495 /nfs/dbraw/zinc/43/14/95/1067431495.db2.gz SAYDGOWQTUTOMB-UHFFFAOYSA-N 0 0 451.314 3.298 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H]2CC(F)(F)CO2)cc1C ZINC001304382690 1067431445 /nfs/dbraw/zinc/43/14/45/1067431445.db2.gz HIUIYNWNXISVAM-MOPGFXCFSA-N 0 0 463.529 3.433 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001304382774 1067431468 /nfs/dbraw/zinc/43/14/68/1067431468.db2.gz LXPJQOANYAREDO-OAQYLSRUSA-N 0 0 492.628 3.385 20 0 JGADRN 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Cc1ccc(OCc2nnc(N3CCC4(CNC(=O)C4)CC3)n2CCOCCC(C)C)cc1 ZINC001304414124 1067483847 /nfs/dbraw/zinc/48/38/47/1067483847.db2.gz YKKJCZZGZQYVGH-UHFFFAOYSA-N 0 0 455.603 3.335 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4ccc(Cl)nc4C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304413883 1067483853 /nfs/dbraw/zinc/48/38/53/1067483853.db2.gz WPQFKBGCONIPJP-UHFFFAOYSA-N 0 0 494.905 3.455 20 0 JGADRN CC(C)Cc1nnc(N2CCC(OC(C)C)CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC001302901137 1067484463 /nfs/dbraw/zinc/48/44/63/1067484463.db2.gz NCJIKEQUYVSFOA-CTNGQTDRSA-N 0 0 467.680 3.075 20 0 JGADRN CC(C)Cc1nnc(N2CCC(OC(C)C)CC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001302901344 1067485026 /nfs/dbraw/zinc/48/50/26/1067485026.db2.gz QDXSELFEQBPAMR-PMACEKPBSA-N 0 0 461.630 3.217 20 0 JGADRN CC(C)Cc1nnc(N2CCC(OCC(N)=O)CC2)n1CCc1ccccc1C(F)(F)F ZINC001302901436 1067485037 /nfs/dbraw/zinc/48/50/37/1067485037.db2.gz TZQVKOOGAQZVEP-UHFFFAOYSA-N 0 0 453.509 3.209 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1C 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SNMZRJLKQLGQSO-QFIPXVFZSA-N 0 0 479.629 3.420 20 0 JGADRN C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCOC3)n2CCc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC001302905091 1067489596 /nfs/dbraw/zinc/48/95/96/1067489596.db2.gz GMQAUISAMWYJBS-CEXWTWQISA-N 0 0 476.691 3.324 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2CCSC2)cc1C ZINC001304417645 1067490157 /nfs/dbraw/zinc/49/01/57/1067490157.db2.gz YGYMMJFHXNBHMA-UYAOXDASSA-N 0 0 464.657 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001304417721 1067490228 /nfs/dbraw/zinc/49/02/28/1067490228.db2.gz ZTPKRUGYFSGCMD-IEIRFRATSA-N 0 0 476.643 3.240 20 0 JGADRN C[C@@H]1CN(CCN(C)c2nnc(-c3ccccc3Br)n2CC2(O)CCC2)C[C@H](C)O1 ZINC001302905957 1067490965 /nfs/dbraw/zinc/49/09/65/1067490965.db2.gz WNLFWNDLBZEBOS-CALCHBBNSA-N 0 0 478.435 3.168 20 0 JGADRN Cc1cnn(CCn2c(COc3ccc(C)cc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC001304418016 1067491227 /nfs/dbraw/zinc/49/12/27/1067491227.db2.gz KAZUCZPWDJFOAZ-IBGZPJMESA-N 0 0 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C[C@@H]1CN(CCN(C)c2nnc(CC3CC3)n2C[C@@](C)(O)c2ccccc2Cl)C[C@H](C)O1 ZINC001302907801 1067492379 /nfs/dbraw/zinc/49/23/79/1067492379.db2.gz HXPZGXRGRSITIY-NXMSCROESA-N 0 0 462.038 3.337 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CCCCNC(=O)OC(C)(C)C)cc1C ZINC001304418623 1067492735 /nfs/dbraw/zinc/49/27/35/1067492735.db2.gz UEEKBQXINUKUKH-UHFFFAOYSA-N 0 0 486.617 3.057 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CCSC(C)C)cc1 ZINC001304418744 1067493252 /nfs/dbraw/zinc/49/32/52/1067493252.db2.gz CJQKFRLAKRTRJW-NRFANRHFSA-N 0 0 456.616 3.409 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC(C)(C)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001304418740 1067493260 /nfs/dbraw/zinc/49/32/60/1067493260.db2.gz CIOZSKYRUAEIDC-IBGZPJMESA-N 0 0 483.535 3.044 20 0 JGADRN C[C@@H]1CN(CCN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@H](C)O1 ZINC001302908439 1067493588 /nfs/dbraw/zinc/49/35/88/1067493588.db2.gz LMZUDQJACUNYOP-QKLQHJQFSA-N 0 0 499.990 3.480 20 0 JGADRN 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Cc1cccc(-c2nnc(N3CCO[C@@H](c4ccco4)C3)n2CCCCCS(C)(=O)=O)n1 ZINC001304484916 1067564195 /nfs/dbraw/zinc/56/41/95/1067564195.db2.gz WNKBNZCWGUCSPF-HXUWFJFHSA-N 0 0 459.572 3.034 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CCCOC(F)(F)F)n1 ZINC001304485494 1067564263 /nfs/dbraw/zinc/56/42/63/1067564263.db2.gz JUTYIDYGHUOHHC-HXUWFJFHSA-N 0 0 465.480 3.061 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cccc(C)n3)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001304484891 1067564312 /nfs/dbraw/zinc/56/43/12/1067564312.db2.gz LNXDRHFDDZBNOX-IRXDYDNUSA-N 0 0 492.696 3.327 20 0 JGADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@H]2CCNC(=O)[C@H]21 ZINC001303009876 1067564463 /nfs/dbraw/zinc/56/44/63/1067564463.db2.gz WUOGTMULGBLFQY-ALKREAHSSA-N 0 0 454.352 3.377 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001304485864 1067564654 /nfs/dbraw/zinc/56/46/54/1067564654.db2.gz RMORGLLOKQFXRK-QGZVFWFLSA-N 0 0 471.606 3.057 20 0 JGADRN Cc1cccc(CC2(O)CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CC[C@H](F)C3)CC2)c1 ZINC001304486352 1067564884 /nfs/dbraw/zinc/56/48/84/1067564884.db2.gz HINRIIYLWLCEOU-RTWAWAEBSA-N 0 0 457.594 3.437 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001303010162 1067564948 /nfs/dbraw/zinc/56/49/48/1067564948.db2.gz KURWVGPZSWZTMB-ZBLYBZFDSA-N 0 0 499.704 3.040 20 0 JGADRN Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCCOC[C@@H]3CCCO3)C2)c1 ZINC001304486998 1067565195 /nfs/dbraw/zinc/56/51/95/1067565195.db2.gz KAISDLJRURMJJM-VXKWHMMOSA-N 0 0 455.603 3.304 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001303010414 1067565164 /nfs/dbraw/zinc/56/51/64/1067565164.db2.gz LPEIOKXESJGBTB-UZUQRXQVSA-N 0 0 461.632 3.483 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001303010413 1067565220 /nfs/dbraw/zinc/56/52/20/1067565220.db2.gz LPEIOKXESJGBTB-SBUREZEXSA-N 0 0 461.632 3.483 20 0 JGADRN Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCCOC[C@H]3CCCO3)C2)c1 ZINC001304486996 1067565291 /nfs/dbraw/zinc/56/52/91/1067565291.db2.gz KAISDLJRURMJJM-FGZHOGPDSA-N 0 0 455.603 3.304 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001303010650 1067565426 /nfs/dbraw/zinc/56/54/26/1067565426.db2.gz WKUBZXYONAPSQD-QHCPKHFHSA-N 0 0 464.010 3.256 20 0 JGADRN Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001304487060 1067565566 /nfs/dbraw/zinc/56/55/66/1067565566.db2.gz RPRSBXZUARPLLU-PMACEKPBSA-N 0 0 483.617 3.011 20 0 JGADRN Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001304487061 1067565689 /nfs/dbraw/zinc/56/56/89/1067565689.db2.gz RPRSBXZUARPLLU-UXHICEINSA-N 0 0 483.617 3.011 20 0 JGADRN Cc1cccc(CC2(O)CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCSC3)CC2)c1 ZINC001304487637 1067566023 /nfs/dbraw/zinc/56/60/23/1067566023.db2.gz NEUDERXMAPBTKA-FQEVSTJZSA-N 0 0 457.644 3.052 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001303011455 1067566172 /nfs/dbraw/zinc/56/61/72/1067566172.db2.gz SOBFUQBCEKVYRB-SANMLTNESA-N 0 0 495.628 3.086 20 0 JGADRN Cc1cccc([C@H]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC(=O)NCC(F)(F)F)C2)c1 ZINC001304488417 1067566747 /nfs/dbraw/zinc/56/67/47/1067566747.db2.gz WAEDKSLAYTWONM-WMZHIEFXSA-N 0 0 495.546 3.300 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001303012371 1067567039 /nfs/dbraw/zinc/56/70/39/1067567039.db2.gz ZAMLTOFPSXCPFZ-CJFMBICVSA-N 0 0 488.633 3.257 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303012373 1067567044 /nfs/dbraw/zinc/56/70/44/1067567044.db2.gz ZAMLTOFPSXCPFZ-NBGIEHNGSA-N 0 0 488.633 3.257 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001304489068 1067567421 /nfs/dbraw/zinc/56/74/21/1067567421.db2.gz BGDRHOJIHDDJLB-NVXWUHKLSA-N 0 0 459.538 3.218 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC001304489048 1067567467 /nfs/dbraw/zinc/56/74/67/1067567467.db2.gz AWWGLDXIEXWNDR-ILWGZMRPSA-N 0 0 475.659 3.082 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2Cc2cccs2)n1 ZINC001304489031 1067567509 /nfs/dbraw/zinc/56/75/09/1067567509.db2.gz ANAUVGWDMLODCW-PKOBYXMFSA-N 0 0 474.656 3.107 20 0 JGADRN Cc1cccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC001304489179 1067567694 /nfs/dbraw/zinc/56/76/94/1067567694.db2.gz XSLYDRLFGOQPRI-SFHVURJKSA-N 0 0 464.536 3.138 20 0 JGADRN NC(=O)C1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](C(F)F)C2)CCOCC1 ZINC001303013463 1067567954 /nfs/dbraw/zinc/56/79/54/1067567954.db2.gz QMPJCWGJLPTCLZ-OAHLLOKOSA-N 0 0 485.482 3.310 20 0 JGADRN NC(=O)[C@H](c1ccccc1)N1CCN(c2nnc(C3CCCC3)n2CC(F)(F)Br)CC1 ZINC001303013523 1067567988 /nfs/dbraw/zinc/56/79/88/1067567988.db2.gz SHSCPEAFGPDLAY-KRWDZBQOSA-N 0 0 497.388 3.272 20 0 JGADRN Cc1cccc(CCn2c(-c3cc(F)ccc3Br)nnc2N2CCC(C(N)=O)CC2)n1 ZINC001304489879 1067568118 /nfs/dbraw/zinc/56/81/18/1067568118.db2.gz DSBPELNGCQOIKE-UHFFFAOYSA-N 0 0 487.377 3.495 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001303013707 1067568173 /nfs/dbraw/zinc/56/81/73/1067568173.db2.gz LFDQANKACAENTQ-QFQXNSOFSA-N 0 0 488.677 3.035 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(S(C)(=O)=O)CC2)n1 ZINC001304490036 1067568291 /nfs/dbraw/zinc/56/82/91/1067568291.db2.gz JTCHQWMJOGQCQD-NRFANRHFSA-N 0 0 498.653 3.063 20 0 JGADRN Cc1cccc(CCn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CC(=O)NC(C)C)n1 ZINC001304490148 1067568361 /nfs/dbraw/zinc/56/83/61/1067568361.db2.gz HVTOOLZXFGLCAZ-UHFFFAOYSA-N 0 0 458.570 3.242 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001303013991 1067568495 /nfs/dbraw/zinc/56/84/95/1067568495.db2.gz LYMDINADCDUVLU-QTISVLPJSA-N 0 0 475.678 3.444 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001303013989 1067568558 /nfs/dbraw/zinc/56/85/58/1067568558.db2.gz LYMDINADCDUVLU-HXAGEGRHSA-N 0 0 475.678 3.444 20 0 JGADRN Cc1cccc(CCn2c(-c3ccccc3C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1 ZINC001304490242 1067568732 /nfs/dbraw/zinc/56/87/32/1067568732.db2.gz KJCSBRCDAOLYIB-NRFANRHFSA-N 0 0 482.654 3.307 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001303014494 1067568812 /nfs/dbraw/zinc/56/88/12/1067568812.db2.gz NNXJOJGMNBDKRZ-JXQFQVJHSA-N 0 0 465.639 3.415 20 0 JGADRN Cc1cccc(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)n1 ZINC001304491121 1067568916 /nfs/dbraw/zinc/56/89/16/1067568916.db2.gz PWZHNXBDWYFSSZ-UHFFFAOYSA-N 0 0 489.045 3.405 20 0 JGADRN Cc1cccc(CCn2c(C(C)C)nnc2N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 ZINC001304490859 1067568921 /nfs/dbraw/zinc/56/89/21/1067568921.db2.gz OCLDQMQCUKGVQY-UHFFFAOYSA-N 0 0 466.561 3.214 20 0 JGADRN Cc1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001304491283 1067569152 /nfs/dbraw/zinc/56/91/52/1067569152.db2.gz JGXKUXVFXOSHBO-YZGWKJHDSA-N 0 0 468.602 3.130 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)n1 ZINC001304491418 1067569196 /nfs/dbraw/zinc/56/91/96/1067569196.db2.gz RVCPZSPOUCRZJL-ROUUACIJSA-N 0 0 452.534 3.205 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCS(=O)(=O)CC2)n1 ZINC001304491913 1067569456 /nfs/dbraw/zinc/56/94/56/1067569456.db2.gz WRXDDTVZUFBFOC-HXUWFJFHSA-N 0 0 469.611 3.216 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCS(=O)(=O)CC2)n1 ZINC001304491910 1067569544 /nfs/dbraw/zinc/56/95/44/1067569544.db2.gz WRXDDTVZUFBFOC-FQEVSTJZSA-N 0 0 469.611 3.216 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001303015432 1067569629 /nfs/dbraw/zinc/56/96/29/1067569629.db2.gz GVAOZZRDKPUJAV-SIKLNZKXSA-N 0 0 469.051 3.333 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001303015528 1067569697 /nfs/dbraw/zinc/56/96/97/1067569697.db2.gz HRRBZBJIIMZEIZ-NVQXNPDNSA-N 0 0 453.631 3.452 20 0 JGADRN Cc1cccc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC001304492070 1067569710 /nfs/dbraw/zinc/56/97/10/1067569710.db2.gz XERBUMDBUYIKFP-KRWDZBQOSA-N 0 0 475.018 3.015 20 0 JGADRN Cc1cccc(CCn2c(-c3ccccn3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)n1 ZINC001304492116 1067569723 /nfs/dbraw/zinc/56/97/23/1067569723.db2.gz XZRVSKFRLAKPPC-UHFFFAOYSA-N 0 0 473.503 3.181 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001303015662 1067570070 /nfs/dbraw/zinc/57/00/70/1067570070.db2.gz SXQPIMFUHKVCPM-VEXUSMLFSA-N 0 0 450.624 3.481 20 0 JGADRN Cc1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCCc2ccccc2)n1 ZINC001304493161 1067570411 /nfs/dbraw/zinc/57/04/11/1067570411.db2.gz HYIYEFCMXDAMBH-NRFANRHFSA-N 0 0 453.612 3.195 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001303016691 1067570465 /nfs/dbraw/zinc/57/04/65/1067570465.db2.gz OYPOWIBWZXCFPR-VXKWHMMOSA-N 0 0 466.673 3.133 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001303017048 1067570828 /nfs/dbraw/zinc/57/08/28/1067570828.db2.gz QFLFOFQIHDNYKK-VWLOTQADSA-N 0 0 459.610 3.500 20 0 JGADRN Cc1cccc(CCn2c(COc3ccc(F)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n1 ZINC001304494187 1067571036 /nfs/dbraw/zinc/57/10/36/1067571036.db2.gz MHPDXHFOQCVZLO-ZWKOTPCHSA-N 0 0 475.590 3.200 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1 ZINC001303017728 1067571204 /nfs/dbraw/zinc/57/12/04/1067571204.db2.gz VIKUGEROHFLPSN-VWLOTQADSA-N 0 0 467.593 3.312 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001303017641 1067571222 /nfs/dbraw/zinc/57/12/22/1067571222.db2.gz SYULNWISDLIEJR-HXUWFJFHSA-N 0 0 455.525 3.345 20 0 JGADRN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC001303019211 1067571775 /nfs/dbraw/zinc/57/17/75/1067571775.db2.gz RUBODIRBJAKEPE-INIZCTEOSA-N 0 0 457.575 3.451 20 0 JGADRN NC(=O)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCCCCC2)cn1 ZINC001303019272 1067571781 /nfs/dbraw/zinc/57/17/81/1067571781.db2.gz JLMSHJQTHFMJDH-UHFFFAOYSA-N 0 0 458.364 3.348 20 0 JGADRN Cc1cccc(Cn2c(N3CCN(CC(F)(F)F)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001304496138 1067572062 /nfs/dbraw/zinc/57/20/62/1067572062.db2.gz PMNKWZAZTHOZKU-JOCHJYFZSA-N 0 0 467.536 3.360 20 0 JGADRN NC(=O)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(F)(F)CC2)cc1 ZINC001303019758 1067572072 /nfs/dbraw/zinc/57/20/72/1067572072.db2.gz STRWAATYYKSYOK-UHFFFAOYSA-N 0 0 465.302 3.418 20 0 JGADRN Cc1cccc(NC(=O)CN2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CC=CCO3)CC2)c1C ZINC001304496515 1067572533 /nfs/dbraw/zinc/57/25/33/1067572533.db2.gz IULSMUUMYQDERV-OAQYLSRUSA-N 0 0 466.630 3.298 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001303021171 1067573192 /nfs/dbraw/zinc/57/31/92/1067573192.db2.gz IEOIJIVGYAMRBB-HXOBKFHXSA-N 0 0 464.010 3.365 20 0 JGADRN Cc1cccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCOC(C)(C)C)CC2)c1C ZINC001304497630 1067573270 /nfs/dbraw/zinc/57/32/70/1067573270.db2.gz HSTXVPDOZVVWFN-UHFFFAOYSA-N 0 0 454.619 3.273 20 0 JGADRN Cc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[C@@H]3CCO[C@H](C)C3)CC2)c1 ZINC001304497661 1067573521 /nfs/dbraw/zinc/57/35/21/1067573521.db2.gz IKATUMPDIJCXQI-NHCUHLMSSA-N 0 0 454.619 3.257 20 0 JGADRN NC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001303022513 1067574366 /nfs/dbraw/zinc/57/43/66/1067574366.db2.gz KZYMSFFPDCRYBK-QGZVFWFLSA-N 0 0 460.460 3.031 20 0 JGADRN NC(=O)c1cccc(Cn2c(CC3CCCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC001303022521 1067574391 /nfs/dbraw/zinc/57/43/91/1067574391.db2.gz LHJWNYBILWZIKY-UHFFFAOYSA-N 0 0 482.526 3.180 20 0 JGADRN 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CC(C)Oc1cccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCS2)c1 ZINC001303517519 1068050716 /nfs/dbraw/zinc/05/07/16/1068050716.db2.gz PGSWYIIQPDSGQR-APWZRJJASA-N 0 0 467.661 3.208 20 0 JGADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCS(=O)(=O)C2)c1 ZINC001303517526 1068050777 /nfs/dbraw/zinc/05/07/77/1068050777.db2.gz PITAYSOXKAHDKC-LJQANCHMSA-N 0 0 457.600 3.142 20 0 JGADRN CC(C)Oc1cccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N2CCOCC2)c1 ZINC001303517286 1068050824 /nfs/dbraw/zinc/05/08/24/1068050824.db2.gz QKJCYRXLYBKIKC-ISKFKSNPSA-N 0 0 499.656 3.479 20 0 JGADRN CC(C)Oc1cccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCS2)c1 ZINC001303517520 1068050863 /nfs/dbraw/zinc/05/08/63/1068050863.db2.gz PGSWYIIQPDSGQR-LPHOPBHVSA-N 0 0 467.661 3.208 20 0 JGADRN C[C@H]1CCCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)C1 ZINC001305009906 1068051024 /nfs/dbraw/zinc/05/10/24/1068051024.db2.gz LQIHJMQSIRNZIM-UUOWRZLLSA-N 0 0 463.623 3.170 20 0 JGADRN CC(C)Oc1cccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001303517716 1068051052 /nfs/dbraw/zinc/05/10/52/1068051052.db2.gz XRMWAQRMNJZUQP-WHUARKNTSA-N 0 0 496.699 3.151 20 0 JGADRN CC(C)Oc1cccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccnc2)c1 ZINC001303517753 1068051075 /nfs/dbraw/zinc/05/10/75/1068051075.db2.gz YGGFUPRTAUFURT-OAQYLSRUSA-N 0 0 469.611 3.242 20 0 JGADRN CC(C)Oc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCCO[C@H](C)C2)cn1 ZINC001303517542 1068051205 /nfs/dbraw/zinc/05/12/05/1068051205.db2.gz PVHJIDXZKWMGDG-QGZVFWFLSA-N 0 0 470.599 3.115 20 0 JGADRN C[C@@H]1CCCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(=O)NC2CC2)C1 ZINC001305010118 1068051250 /nfs/dbraw/zinc/05/12/50/1068051250.db2.gz NIKGTZNMUYIPLT-UYAOXDASSA-N 0 0 490.649 3.272 20 0 JGADRN C[C@@H]1CCCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C1 ZINC001305010813 1068051261 /nfs/dbraw/zinc/05/12/61/1068051261.db2.gz LXBHFRBWVYVYOU-AABGKKOBSA-N 0 0 463.623 3.434 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@H](C)C2)n1CCc1nc2c(s1)CCCC2 ZINC001305011050 1068051652 /nfs/dbraw/zinc/05/16/52/1068051652.db2.gz CHOVODNFQWOQLL-HOTGVXAUSA-N 0 0 466.677 3.093 20 0 JGADRN C[C@H]1CCCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCn2cccn2)C1 ZINC001305010925 1068051663 /nfs/dbraw/zinc/05/16/63/1068051663.db2.gz VIDUBPWAUAJNOL-VQTJNVASSA-N 0 0 473.622 3.500 20 0 JGADRN CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305011222 1068051783 /nfs/dbraw/zinc/05/17/83/1068051783.db2.gz WWTUONDNZFLKKI-GUDVDZBRSA-N 0 0 483.679 3.356 20 0 JGADRN CC(C)Oc1ccc(Cn2c(N3C[C@@H](C)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001303518271 1068051810 /nfs/dbraw/zinc/05/18/10/1068051810.db2.gz VTYMXQKZEBPQFL-GLDPYIMESA-N 0 0 459.591 3.163 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001305011441 1068051959 /nfs/dbraw/zinc/05/19/59/1068051959.db2.gz FFQRHFKFHRLXOH-CEXWTWQISA-N 0 0 453.653 3.397 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001305011444 1068051970 /nfs/dbraw/zinc/05/19/70/1068051970.db2.gz FFQRHFKFHRLXOH-QYZOEREBSA-N 0 0 453.653 3.397 20 0 JGADRN C[C@H]1CCCCN(c2nnc(-c3cccn3C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001305011350 1068052063 /nfs/dbraw/zinc/05/20/63/1068052063.db2.gz OLTXUNMSFAOPST-SFHVURJKSA-N 0 0 456.616 3.209 20 0 JGADRN CC(C)OC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2nccs2)CC1 ZINC001303518777 1068052146 /nfs/dbraw/zinc/05/21/46/1068052146.db2.gz SUPGOCGMLXYPOX-UHFFFAOYSA-N 0 0 455.588 3.409 20 0 JGADRN CC(C)Oc1ccc(Cn2c(C3CC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)cn1 ZINC001303519578 1068052784 /nfs/dbraw/zinc/05/27/84/1068052784.db2.gz GBCSDIPAPPMSQY-UHFFFAOYSA-N 0 0 456.488 3.408 20 0 JGADRN CC(C)Oc1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C2CC2)cn1 ZINC001303520524 1068053213 /nfs/dbraw/zinc/05/32/13/1068053213.db2.gz JZMJWSAVBGYLBE-UHFFFAOYSA-N 0 0 470.599 3.025 20 0 JGADRN CC(C)Oc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001303523397 1068053602 /nfs/dbraw/zinc/05/36/02/1068053602.db2.gz UWCMWBZGUNXTMG-GOSISDBHSA-N 0 0 480.573 3.069 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001305012793 1068053599 /nfs/dbraw/zinc/05/35/99/1068053599.db2.gz ORLCKLSVJGJPRW-VWKPWSFCSA-N 0 0 470.039 3.076 20 0 JGADRN CC(C)OC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(F)F)CC1 ZINC001303523898 1068053833 /nfs/dbraw/zinc/05/38/33/1068053833.db2.gz JBKIKJFWWRZRTP-KRWDZBQOSA-N 0 0 484.569 3.224 20 0 JGADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)N(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)c1C ZINC001303524116 1068054340 /nfs/dbraw/zinc/05/43/40/1068054340.db2.gz DYTZYECVHHNNBS-CXAGYDPISA-N 0 0 456.513 3.362 20 0 JGADRN CC(C)OC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001303524829 1068055211 /nfs/dbraw/zinc/05/52/11/1068055211.db2.gz TVWRWXAMDCMXEJ-OAQYLSRUSA-N 0 0 476.643 3.159 20 0 JGADRN 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ZINC001303529924 1068058204 /nfs/dbraw/zinc/05/82/04/1068058204.db2.gz GWOARBRKZLBMKC-UHFFFAOYSA-N 0 0 479.557 3.303 20 0 JGADRN CC(C)OC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cn[nH]c2)CC1 ZINC001303530185 1068058476 /nfs/dbraw/zinc/05/84/76/1068058476.db2.gz OGTHSQTUOIZRJZ-KDURUIRLSA-N 0 0 473.622 3.408 20 0 JGADRN C[C@H]1CCCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCc2cnn(C)n2)C1 ZINC001305015723 1068058689 /nfs/dbraw/zinc/05/86/89/1068058689.db2.gz YKEQRVHOZBIJGL-KRWDZBQOSA-N 0 0 471.009 3.249 20 0 JGADRN C[C@@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(N)=O)c2)C1 ZINC001305015626 1068058718 /nfs/dbraw/zinc/05/87/18/1068058718.db2.gz IOTQJYGRIHUNGM-MRXNPFEDSA-N 0 0 452.584 3.043 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC=CCO2)CCO1 ZINC001303530266 1068058565 /nfs/dbraw/zinc/05/85/65/1068058565.db2.gz AJEWCERSUGIQRT-MSOLQXFVSA-N 0 0 480.407 3.021 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCOC(C)(C)C)CCO1 ZINC001303530365 1068058899 /nfs/dbraw/zinc/05/88/99/1068058899.db2.gz CGWUIBHNUZNMIX-QGZVFWFLSA-N 0 0 484.439 3.491 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC[C@@H]2C)CCO1 ZINC001303530509 1068059104 /nfs/dbraw/zinc/05/91/04/1068059104.db2.gz FIAGTKJTRKXWNK-HKUYNNGSSA-N 0 0 482.000 3.089 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccccc2F)CCO1 ZINC001303530679 1068059779 /nfs/dbraw/zinc/05/97/79/1068059779.db2.gz VZCZWQPYCANMDR-FQEVSTJZSA-N 0 0 482.560 3.328 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC(=O)N(C)C)CCO1 ZINC001303530994 1068060046 /nfs/dbraw/zinc/06/00/46/1068060046.db2.gz JEMARCHLBBPLLZ-QGZVFWFLSA-N 0 0 467.973 3.236 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)CCO1 ZINC001303531630 1068060601 /nfs/dbraw/zinc/06/06/01/1068060601.db2.gz PXOKSRLHAKFWDE-QFIPXVFZSA-N 0 0 455.603 3.202 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCCNC(=O)C2CCC2)CCO1 ZINC001303532983 1068062411 /nfs/dbraw/zinc/06/24/11/1068062411.db2.gz 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ZINC001299976035 1065272025 /nfs/dbraw/zinc/27/20/25/1065272025.db2.gz XLQMCWKRBAYZTD-UHFFFAOYSA-N 0 0 450.381 3.253 20 0 JGADRN COc1ccc(Br)c(CN(C)c2nnc(C3CCC3)n2C[C@@]2(C)CN(C)C2=O)c1 ZINC001299976227 1065272248 /nfs/dbraw/zinc/27/22/48/1065272248.db2.gz AKASWNBCGJBRTG-OAQYLSRUSA-N 0 0 462.392 3.431 20 0 JGADRN COc1ccc(Br)cc1Cn1c(C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001299976317 1065272273 /nfs/dbraw/zinc/27/22/73/1065272273.db2.gz DRJNHKRCYNQNHD-UHFFFAOYSA-N 0 0 489.374 3.101 20 0 JGADRN COc1ccc(Br)cc1Cn1c(C2CC2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001299976369 1065272314 /nfs/dbraw/zinc/27/23/14/1065272314.db2.gz GLYVQJMLYONXFP-UHFFFAOYSA-N 0 0 462.392 3.280 20 0 JGADRN COc1ccc(Br)cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(C)C1 ZINC001299976586 1065272944 /nfs/dbraw/zinc/27/29/44/1065272944.db2.gz MMSUJTZTPDUTFD-OAHLLOKOSA-N 0 0 498.447 3.254 20 0 JGADRN COc1ccc(Br)c(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@@H]2OC)c1 ZINC001299976920 1065273354 /nfs/dbraw/zinc/27/33/54/1065273354.db2.gz 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COc1ccc(Br)cc1Cn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001299978683 1065275576 /nfs/dbraw/zinc/27/55/76/1065275576.db2.gz DQKGJMGYPIVPIO-IBGZPJMESA-N 0 0 492.418 3.096 20 0 JGADRN COc1ccc(Br)cc1Cn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001299978684 1065275942 /nfs/dbraw/zinc/27/59/42/1065275942.db2.gz DQKGJMGYPIVPIO-LJQANCHMSA-N 0 0 492.418 3.096 20 0 JGADRN COc1ccc(Br)cc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001299978976 1065275977 /nfs/dbraw/zinc/27/59/77/1065275977.db2.gz IFWFDEXFLHQYSD-HNAYVOBHSA-N 0 0 465.392 3.463 20 0 JGADRN COc1ccc(C(C)(C)Cn2c(C)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1OC ZINC001299978919 1065276037 /nfs/dbraw/zinc/27/60/37/1065276037.db2.gz NWFFYGCYBFYKJF-UHFFFAOYSA-N 0 0 459.635 3.376 20 0 JGADRN COc1ccc(C(C)(C)Cn2c(-c3cccn3C)nnc2N(CCS(C)(=O)=O)C2CC2)cc1 ZINC001299979408 1065277027 /nfs/dbraw/zinc/27/70/27/1065277027.db2.gz XEWVAQKKVNVMHO-UHFFFAOYSA-N 0 0 471.627 3.283 20 0 JGADRN COc1ccc(C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1OC ZINC001299979391 1065277061 /nfs/dbraw/zinc/27/70/61/1065277061.db2.gz WSIBCTIMDXYGJU-KRWDZBQOSA-N 0 0 487.626 3.204 20 0 JGADRN COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3OCCC[C@H]3C2)cc1OC ZINC001299979629 1065277407 /nfs/dbraw/zinc/27/74/07/1065277407.db2.gz PYSOJTWLHNNKCS-ICSRJNTNSA-N 0 0 485.629 3.417 20 0 JGADRN COc1ccc(C(C)(C)Cn2c(C(C)C)nnc2N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC001299979700 1065277858 /nfs/dbraw/zinc/27/78/58/1065277858.db2.gz SKTAGXBEOAINCX-VWLOTQADSA-N 0 0 468.602 3.202 20 0 JGADRN COc1ccc(Br)cc1Cn1c(N(C)CC(=O)NC(C)C)nnc1C(C)(C)C ZINC001299979762 1065278127 /nfs/dbraw/zinc/27/81/27/1065278127.db2.gz UIAKAJLPOLOYHX-UHFFFAOYSA-N 0 0 452.397 3.356 20 0 JGADRN COc1ccc([C@H](C)CCn2c(-c3ccc(C)o3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC001299980059 1065278549 /nfs/dbraw/zinc/27/85/49/1065278549.db2.gz CKAKOFLFGFIGCK-QGZVFWFLSA-N 0 0 473.599 3.131 20 0 JGADRN COc1ccc([C@H](C)CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(C)(C)C)C2)cc1 ZINC001299980011 1065278604 /nfs/dbraw/zinc/27/86/04/1065278604.db2.gz BLVLTGODAAZCMG-LQWHRVPQSA-N 0 0 493.674 3.342 20 0 JGADRN COc1ccc([C@@H](C)CCn2c(-c3cccnc3)nnc2N2CCC(OCC(N)=O)CC2)cc1 ZINC001299980394 1065278959 /nfs/dbraw/zinc/27/89/59/1065278959.db2.gz JKRGTUSSRHDSGM-SFHVURJKSA-N 0 0 464.570 3.013 20 0 JGADRN COc1ccc([C@@H](C)CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001299980319 1065279050 /nfs/dbraw/zinc/27/90/50/1065279050.db2.gz HZYPNQBAJACKQI-RXVVDRJESA-N 0 0 498.628 3.489 20 0 JGADRN COc1ccc([C@@H](C)CCn2c(-c3cccn3C)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC001299980297 1065279102 /nfs/dbraw/zinc/27/91/02/1065279102.db2.gz HNKNRSZLHZSYMR-RXVVDRJESA-N 0 0 471.627 3.499 20 0 JGADRN COc1ccc(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCOC(C)(C)[C@@H]2C)cc1OC ZINC001299980495 1065279592 /nfs/dbraw/zinc/27/95/92/1065279592.db2.gz BTPOVXVTOVFTSM-SFHVURJKSA-N 0 0 485.629 3.399 20 0 JGADRN COc1ccc([C@@H](C)CCn2c(-c3cccnc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC001299980611 1065280270 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/nfs/dbraw/zinc/28/92/28/1065289228.db2.gz OKYDSWAEBVSOKV-UYAOXDASSA-N 0 0 484.626 3.283 20 0 JGADRN COC(=O)[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)C[C@H]1c1ccc(O)cc1 ZINC001299987501 1065289738 /nfs/dbraw/zinc/28/97/38/1065289738.db2.gz HONANIZKJNPKEC-LSDHHAIUSA-N 0 0 454.267 3.391 20 0 JGADRN COc1ccc([C@@H](C)N(C)c2nnc(CN3CCCC3=O)n2CC(=O)N(C)C2CCCCC2)cc1 ZINC001299987930 1065290880 /nfs/dbraw/zinc/29/08/80/1065290880.db2.gz WQGFHINCIUMRTC-LJQANCHMSA-N 0 0 482.629 3.398 20 0 JGADRN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)[C@H](CC2CC2)NC(=O)OC(C)(C)C)nn1C ZINC001299989232 1065292668 /nfs/dbraw/zinc/29/26/68/1065292668.db2.gz CEPLWZDQZJMPIW-INIZCTEOSA-N 0 0 451.568 3.385 20 0 JGADRN COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1c1ccc(O)cc1 ZINC001299989233 1065292684 /nfs/dbraw/zinc/29/26/84/1065292684.db2.gz WFLBIJIXUCKZLN-VDVULAQNSA-N 0 0 474.916 3.119 20 0 JGADRN COc1ccc(C)cc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1 ZINC001299989861 1065293261 /nfs/dbraw/zinc/29/32/61/1065293261.db2.gz CAEQJSHYRJLSEE-GOSISDBHSA-N 0 0 464.657 3.072 20 0 JGADRN COc1ccc(C)cc1CN1CCN(c2nnc(CC3CC3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001299990250 1065293735 /nfs/dbraw/zinc/29/37/35/1065293735.db2.gz FTDDBQSBOZRFBH-MGBGTMOVSA-N 0 0 473.687 3.417 20 0 JGADRN COc1ccc(C)cc1CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001299991029 1065295311 /nfs/dbraw/zinc/29/53/11/1065295311.db2.gz SMFRFPYQAWRVOU-PKOBYXMFSA-N 0 0 467.536 3.415 20 0 JGADRN COc1ccc(C)cc1CN1CCN(c2nnc(-c3cnn(C)c3)n2CCOC(C)(C)C)CC1 ZINC001299991104 1065295340 /nfs/dbraw/zinc/29/53/40/1065295340.db2.gz SGKSOSLBBCAUOT-UHFFFAOYSA-N 0 0 467.618 3.133 20 0 JGADRN COc1ccc(C)cc1CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001299991198 1065296037 /nfs/dbraw/zinc/29/60/37/1065296037.db2.gz VTNKMYRWGOFPMI-UHFFFAOYSA-N 0 0 479.585 3.352 20 0 JGADRN COc1ccc(C)cc1CCn1c(C2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001299991189 1065296079 /nfs/dbraw/zinc/29/60/79/1065296079.db2.gz VTFUNAFWUGIBDJ-IBGZPJMESA-N 0 0 475.659 3.261 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C2CC2)cc1Br ZINC001299992045 1065298194 /nfs/dbraw/zinc/29/81/94/1065298194.db2.gz HSHLZHXVARVZMY-VXGBXAGGSA-N 0 0 457.394 3.309 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2C2CC2)cc1Br ZINC001299992044 1065298267 /nfs/dbraw/zinc/29/82/67/1065298267.db2.gz HSHLZHXVARVZMY-RYUDHWBXSA-N 0 0 457.394 3.309 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2CC[C@H](F)C2)cc1OC ZINC001299993019 1065300137 /nfs/dbraw/zinc/30/01/37/1065300137.db2.gz YGAGKHSSRAWFSJ-CVYDXHPNSA-N 0 0 468.595 3.358 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CCC2CCOCC2)cc1 ZINC001299993075 1065300232 /nfs/dbraw/zinc/30/02/32/1065300232.db2.gz ZFFGVHKOTMQETK-IAGOWNOFSA-N 0 0 450.605 3.028 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCC2CCOCC2)cc1 ZINC001299993076 1065300685 /nfs/dbraw/zinc/30/06/85/1065300685.db2.gz ZFFGVHKOTMQETK-IRXDYDNUSA-N 0 0 450.605 3.028 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2cccc(Br)n2)cc1 ZINC001299994291 1065300742 /nfs/dbraw/zinc/30/07/42/1065300742.db2.gz AESUVSNHDBPYMY-AWEZNQCLSA-N 0 0 494.415 3.029 20 0 JGADRN COc1ccc(-c2nnc(N(C)C3CCC3)n2CC2(O)CCOCC2)cc1Br ZINC001299995836 1065303895 /nfs/dbraw/zinc/30/38/95/1065303895.db2.gz UEXVIENLSWTARU-UHFFFAOYSA-N 0 0 451.365 3.246 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001299996192 1065304335 /nfs/dbraw/zinc/30/43/35/1065304335.db2.gz WKQSEMSDSPXAKW-IRXDYDNUSA-N 0 0 495.646 3.078 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001299996190 1065304452 /nfs/dbraw/zinc/30/44/52/1065304452.db2.gz WKQSEMSDSPXAKW-DLBZAZTESA-N 0 0 495.646 3.078 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)s2)c(OC)c1 ZINC001299996125 1065304521 /nfs/dbraw/zinc/30/45/21/1065304521.db2.gz DYLPVGQSTOTPMQ-CYBMUJFWSA-N 0 0 483.015 3.349 20 0 JGADRN COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@](C)(O)C2CC2)cc1Br ZINC001299997110 1065306856 /nfs/dbraw/zinc/30/68/56/1065306856.db2.gz UJIKHKLXTQAIMK-QFIPXVFZSA-N 0 0 494.434 3.228 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCn2cc(C)cn2)cc1Br ZINC001299997125 1065307510 /nfs/dbraw/zinc/30/75/10/1065307510.db2.gz UPXULGGTCDYIST-MRXNPFEDSA-N 0 0 461.364 3.146 20 0 JGADRN COc1ccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2Cc2ccc(F)cn2)cc1OC ZINC001299997486 1065308146 /nfs/dbraw/zinc/30/81/46/1065308146.db2.gz KBYGDBWPUCNKCH-UHFFFAOYSA-N 0 0 498.603 3.339 20 0 JGADRN CC(=O)Nc1cccc2c1CCN(C(=O)c1nnn(-c3ccccc3Br)c1C)C2 ZINC001299998882 1065309861 /nfs/dbraw/zinc/30/98/61/1065309861.db2.gz GLXWLBXTJREXMK-UHFFFAOYSA-N 0 0 454.328 3.495 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cc(Cl)ccn3)n2CCCS(C)(=O)=O)cc1C ZINC001492237987 1065310342 /nfs/dbraw/zinc/31/03/42/1065310342.db2.gz KPGKKSNLCXYJBC-UHFFFAOYSA-N 0 0 491.017 3.267 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001545691580 1065310708 /nfs/dbraw/zinc/31/07/08/1065310708.db2.gz DOIJMZXQTZQLQY-LJQANCHMSA-N 0 0 465.577 3.419 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)CC(N)=O)c(OCC(F)(F)F)c1 ZINC001492199085 1065311953 /nfs/dbraw/zinc/31/19/53/1065311953.db2.gz NHGVSLIMQVPDLR-MRXNPFEDSA-N 0 0 476.503 3.262 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cn1 ZINC001492199204 1065312568 /nfs/dbraw/zinc/31/25/68/1065312568.db2.gz ONJUQVLZEIOGEN-HXUWFJFHSA-N 0 0 463.586 3.367 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2Cc2ccc(C)nc2)n1 ZINC001492200328 1065313077 /nfs/dbraw/zinc/31/30/77/1065313077.db2.gz ALPMHSJABSFSNK-FQEVSTJZSA-N 0 0 493.637 3.492 20 0 JGADRN Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)s1 ZINC001492200770 1065313728 /nfs/dbraw/zinc/31/37/28/1065313728.db2.gz HBTWAOOTNFQURQ-KRWDZBQOSA-N 0 0 486.667 3.429 20 0 JGADRN Cc1ccc(Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(=O)n1C ZINC001492200409 1065313779 /nfs/dbraw/zinc/31/37/79/1065313779.db2.gz JWSXSSAEYJZUKC-YLJYHZDGSA-N 0 0 475.515 3.275 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492201396 1065315122 /nfs/dbraw/zinc/31/51/22/1065315122.db2.gz NFIFPBDTIOTCNX-CRAIPNDOSA-N 0 0 474.631 3.168 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)CCC(F)F)c(O[C@@H]2CCOC2)c1 ZINC001492201483 1065315178 /nfs/dbraw/zinc/31/51/78/1065315178.db2.gz XESSDEDEJILUSW-GOSISDBHSA-N 0 0 463.529 3.016 20 0 JGADRN Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)C2)c(=O)n1C ZINC001492201643 1065315749 /nfs/dbraw/zinc/31/57/49/1065315749.db2.gz SLJVHGUWVONKEP-UHFFFAOYSA-N 0 0 457.962 3.181 20 0 JGADRN Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(F)F)CC2)c(C)c1 ZINC001492201851 1065316365 /nfs/dbraw/zinc/31/63/65/1065316365.db2.gz ZMAONDLMPNUETK-UHFFFAOYSA-N 0 0 474.581 3.322 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(F)c1 ZINC001492201778 1065316379 /nfs/dbraw/zinc/31/63/79/1065316379.db2.gz XHKHQUKMAMLZSO-RHSMWYFYSA-N 0 0 455.456 3.052 20 0 JGADRN Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CCc2cnccn2)c(=O)n1C ZINC001492201769 1065316391 /nfs/dbraw/zinc/31/63/91/1065316391.db2.gz WWCSGWAGWIQJES-UHFFFAOYSA-N 0 0 479.972 3.035 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492201803 1065316423 /nfs/dbraw/zinc/31/64/23/1065316423.db2.gz YDUABFKSMYCTRN-QGZVFWFLSA-N 0 0 474.631 3.170 20 0 JGADRN Cc1ccc(Cn2c(N3CC=C(C(F)(F)F)CC3)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C ZINC001492202428 1065316436 /nfs/dbraw/zinc/31/64/36/1065316436.db2.gz FGLAEVLGQUUDTC-QFIPXVFZSA-N 0 0 481.519 3.073 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492201802 1065316490 /nfs/dbraw/zinc/31/64/90/1065316490.db2.gz YDUABFKSMYCTRN-KRWDZBQOSA-N 0 0 474.631 3.170 20 0 JGADRN Cc1ccc(Cn2c(N3CCC(S(C)(=O)=O)CC3)nnc2C(C)(C)C)c(O[C@@H]2CCOC2)c1 ZINC001492202669 1065316980 /nfs/dbraw/zinc/31/69/80/1065316980.db2.gz HFVINIPGFZCCDR-LJQANCHMSA-N 0 0 476.643 3.113 20 0 JGADRN Cc1ccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@H](C)C2)c(=O)n1C ZINC001492203503 1065318149 /nfs/dbraw/zinc/31/81/49/1065318149.db2.gz GAXFRHJKQMJMJL-QUCCMNQESA-N 0 0 486.617 3.021 20 0 JGADRN Cc1ccc(Cn2c(N3CCN(C(=O)C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c(F)c1 ZINC001492203522 1065318238 /nfs/dbraw/zinc/31/82/38/1065318238.db2.gz GJJNFFCPPLWXMT-VWLOTQADSA-N 0 0 473.593 3.119 20 0 JGADRN Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 ZINC001492203774 1065318813 /nfs/dbraw/zinc/31/88/13/1065318813.db2.gz NSVVPYIVTYPVNZ-CEWLAPEOSA-N 0 0 475.659 3.024 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)(C)C)n3CCCC(=O)NC3CC3)CC2)cc1 ZINC001492205718 1065320166 /nfs/dbraw/zinc/32/01/66/1065320166.db2.gz MEJDMFYDVRZRDM-UHFFFAOYSA-N 0 0 480.657 3.476 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CC2)c1 ZINC001492207899 1065321403 /nfs/dbraw/zinc/32/14/03/1065321403.db2.gz CGCKJCCOHWOPOK-HEIROHQZSA-N 0 0 464.607 3.314 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@]2(O)CCO[C@H]2C)cc1C ZINC001492238209 1065322844 /nfs/dbraw/zinc/32/28/44/1065322844.db2.gz MCNRDIQPUGTLHH-SIBVEZHUSA-N 0 0 493.612 3.237 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc(C(=O)N3CCCC3)n2CCCN(C)CC(F)(F)F)c1 ZINC001492208448 1065322960 /nfs/dbraw/zinc/32/29/60/1065322960.db2.gz SRRWSLHKPLZNNX-UHFFFAOYSA-N 0 0 470.515 3.482 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@]2(O)CCO[C@@H]2C)cc1C ZINC001492238207 1065322984 /nfs/dbraw/zinc/32/29/84/1065322984.db2.gz MCNRDIQPUGTLHH-BCHFMIIMSA-N 0 0 493.612 3.237 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCCO2)c1 ZINC001492208772 1065323018 /nfs/dbraw/zinc/32/30/18/1065323018.db2.gz ZPYYIZXVGWSSSL-HXUWFJFHSA-N 0 0 459.566 3.184 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)c1 ZINC001492211566 1065324406 /nfs/dbraw/zinc/32/44/06/1065324406.db2.gz ONJJMNUHFQETRA-MJGOQNOKSA-N 0 0 450.580 3.223 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NC(C)C)c1 ZINC001492211369 1065324482 /nfs/dbraw/zinc/32/44/82/1065324482.db2.gz LYPPQFBYOLVXQB-UHFFFAOYSA-N 0 0 480.592 3.061 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nnn(C)n2)c1 ZINC001492212074 1065325015 /nfs/dbraw/zinc/32/50/15/1065325015.db2.gz UZPCHLOOZPMLIK-KRWDZBQOSA-N 0 0 499.595 3.048 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)c1 ZINC001492213070 1065325764 /nfs/dbraw/zinc/32/57/64/1065325764.db2.gz ZPCLCQKBLGLXJS-FQEVSTJZSA-N 0 0 475.519 3.175 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001492217050 1065326861 /nfs/dbraw/zinc/32/68/61/1065326861.db2.gz JSKJMFFUIDFSQQ-KRWDZBQOSA-N 0 0 482.526 3.369 20 0 JGADRN Cc1ccc(CSCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCNC(=O)C2)cc1 ZINC001492215799 1065327015 /nfs/dbraw/zinc/32/70/15/1065327015.db2.gz WWJFGWBLHHHVEP-TZIWHRDSSA-N 0 0 457.644 3.375 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2CCS(=O)(=O)CC2CC2)c1 ZINC001492216750 1065327050 /nfs/dbraw/zinc/32/70/50/1065327050.db2.gz HPRYMHGZFFAREA-UHFFFAOYSA-N 0 0 457.575 3.173 20 0 JGADRN Cc1nc(Cc2nnc(N3CCN(C)C(=O)C3)n2CCSCc2ccc(C)cc2)cs1 ZINC001492215878 1065327061 /nfs/dbraw/zinc/32/70/61/1065327061.db2.gz ZFLDHBBDKGQVSL-UHFFFAOYSA-N 0 0 456.641 3.154 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001492217060 1065327133 /nfs/dbraw/zinc/32/71/33/1065327133.db2.gz JXKTUARBWSYTIA-MSOLQXFVSA-N 0 0 494.662 3.468 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001492217062 1065327786 /nfs/dbraw/zinc/32/77/86/1065327786.db2.gz JXKTUARBWSYTIA-ROUUACIJSA-N 0 0 494.662 3.468 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)cc1C ZINC001492238305 1065328628 /nfs/dbraw/zinc/32/86/28/1065328628.db2.gz PFBDFASSTYAYOB-UHFFFAOYSA-N 0 0 482.610 3.146 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCCC(F)(F)F)CC2=O)cc1 ZINC001492226047 1065329029 /nfs/dbraw/zinc/32/90/29/1065329029.db2.gz AGHGUPKTNISZAP-UHFFFAOYSA-N 0 0 464.492 3.018 20 0 JGADRN Cc1ccc(N(C)c2nnc(CC3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)cc1 ZINC001492223966 1065329113 /nfs/dbraw/zinc/32/91/13/1065329113.db2.gz FVTJQWYMJSFRBB-UHFFFAOYSA-N 0 0 458.588 3.195 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(F)(F)C2)cc1 ZINC001492223824 1065329194 /nfs/dbraw/zinc/32/91/94/1065329194.db2.gz DCYIKMPZRYSFTN-WMZOPIPTSA-N 0 0 469.558 3.123 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccncc3Cl)CC2)cc1 ZINC001492227617 1065330507 /nfs/dbraw/zinc/33/05/07/1065330507.db2.gz MCLGAZDHRBHFNG-UHFFFAOYSA-N 0 0 453.978 3.148 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCOC(C)(C)C)CC2)cc1C ZINC001492227965 1065330570 /nfs/dbraw/zinc/33/05/70/1065330570.db2.gz PWROEZRSEJWDKF-UHFFFAOYSA-N 0 0 454.619 3.273 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001492228061 1065330612 /nfs/dbraw/zinc/33/06/12/1065330612.db2.gz RMBBWKIEARXGLM-PMACEKPBSA-N 0 0 454.619 3.255 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3nccs3)n2CCN2CCSCC2)cc1C ZINC001492238458 1065331227 /nfs/dbraw/zinc/33/12/27/1065331227.db2.gz QHHQGEYOSWSXCS-UHFFFAOYSA-N 0 0 471.656 3.289 20 0 JGADRN Cc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@H](C)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001492229344 1065331295 /nfs/dbraw/zinc/33/12/95/1065331295.db2.gz APZOQPCYXPZPRB-FPOVZHCZSA-N 0 0 497.644 3.025 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ncnn3CC(F)F)n2Cc2nccs2)cc1C ZINC001492238452 1065331322 /nfs/dbraw/zinc/33/13/22/1065331322.db2.gz PZINZHWIQYDWHU-UHFFFAOYSA-N 0 0 487.540 3.145 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(-c4ccc(Br)s4)n3CC(=O)N(C)C)CC2)cc1 ZINC001492229562 1065331730 /nfs/dbraw/zinc/33/17/30/1065331730.db2.gz FGKGMEXCIFOSFC-UHFFFAOYSA-N 0 0 489.443 3.492 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(-c4cccc(C)n4)n3CCS(=O)(=O)C(C)(C)C)CC2=O)cc1 ZINC001492231234 1065332244 /nfs/dbraw/zinc/33/22/44/1065332244.db2.gz RIKNMOQQFJEWHD-UHFFFAOYSA-N 0 0 496.637 3.023 20 0 JGADRN Cc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001492231374 1065332256 /nfs/dbraw/zinc/33/22/56/1065332256.db2.gz VESUGLAJAVUCJC-OAQYLSRUSA-N 0 0 497.644 3.121 20 0 JGADRN Cc1ccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3CCC(F)(F)CC3)CC2)cc1 ZINC001492231868 1065332270 /nfs/dbraw/zinc/33/22/70/1065332270.db2.gz ZNQKFSUBCMHAND-SFHVURJKSA-N 0 0 496.628 3.349 20 0 JGADRN Cc1ccsc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001492232669 1065332930 /nfs/dbraw/zinc/33/29/30/1065332930.db2.gz IZMLPHHKONMHRD-KRWDZBQOSA-N 0 0 475.640 3.435 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(Cc4ccsc4)n3C[C@](C)(O)C(C)C)CC2=O)cc1 ZINC001492233073 1065333660 /nfs/dbraw/zinc/33/36/60/1065333660.db2.gz VCPIYYPGHWZKKY-DEOSSOPVSA-N 0 0 453.612 3.499 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CCc2nccs2)cc1C ZINC001492233215 1065334203 /nfs/dbraw/zinc/33/42/03/1065334203.db2.gz YVONWYCSIAIDGV-IAGOWNOFSA-N 0 0 490.655 3.104 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(Cc4ccncc4)n3CCCOCC(C)C)CC2=O)cc1 ZINC001492233076 1065334220 /nfs/dbraw/zinc/33/42/20/1065334220.db2.gz VEOJIRKWVYXHLX-UHFFFAOYSA-N 0 0 462.598 3.488 20 0 JGADRN Cc1coc(C)c1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001492234330 1065334985 /nfs/dbraw/zinc/33/49/85/1065334985.db2.gz CAVDUWLXQHHZQR-IBGZPJMESA-N 0 0 471.583 3.029 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1([S@@](C)=O)CCC1 ZINC001492235374 1065335522 /nfs/dbraw/zinc/33/55/22/1065335522.db2.gz NVALHPUMTJENQG-PGUFJCEWSA-N 0 0 497.669 3.435 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC(=O)N(C)C ZINC001492235165 1065335609 /nfs/dbraw/zinc/33/56/09/1065335609.db2.gz KPQSFRLUVVKBHV-UHFFFAOYSA-N 0 0 480.617 3.002 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCC2(F)CCC2)cc1C ZINC001492235762 1065336100 /nfs/dbraw/zinc/33/61/00/1065336100.db2.gz UPGGAKQROGDKLO-GOSISDBHSA-N 0 0 463.579 3.053 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@]2(O)CCSC2)cc1C ZINC001492237352 1065336875 /nfs/dbraw/zinc/33/68/75/1065336875.db2.gz IBPBVQAEYASQJL-JOCHJYFZSA-N 0 0 490.033 3.039 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@]2(O)CCSC2)cc1C ZINC001492237355 1065337439 /nfs/dbraw/zinc/33/74/39/1065337439.db2.gz IBPBVQAEYASQJL-QFIPXVFZSA-N 0 0 490.033 3.039 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCn3cccn3)n2CCC(=O)N2CCCCCC2)cc1C ZINC001492240347 1065338208 /nfs/dbraw/zinc/33/82/08/1065338208.db2.gz JCZHQBDLMUVFHP-UHFFFAOYSA-N 0 0 492.628 3.273 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCOC(C)(C)C)n2CC2([S@](C)=O)CC2)cc1C ZINC001492240456 1065338586 /nfs/dbraw/zinc/33/85/86/1065338586.db2.gz MGRPLGYPVNXFBL-YTTGMZPUSA-N 0 0 461.632 3.310 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CC3COC(C)(C)OC3)n2CCCc2cnn(C)c2)cc1C ZINC001492240970 1065340192 /nfs/dbraw/zinc/34/01/92/1065340192.db2.gz TUMSEYMJVVOXPF-UHFFFAOYSA-N 0 0 495.628 3.349 20 0 JGADRN Cc1nccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CCOCC1 ZINC001492241501 1065340702 /nfs/dbraw/zinc/34/07/02/1065340702.db2.gz XUSYZANXAPBGAP-UHFFFAOYSA-N 0 0 451.575 3.215 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001492288961 1065341558 /nfs/dbraw/zinc/34/15/58/1065341558.db2.gz RHUKAPAYXFGQNZ-HXUWFJFHSA-N 0 0 484.601 3.380 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[C@@H]2CCO[C@H](C)C2)cc1C ZINC001492244023 1065342298 /nfs/dbraw/zinc/34/22/98/1065342298.db2.gz JXGUAYCDMNCLRF-XUVXKRRUSA-N 0 0 468.602 3.019 20 0 JGADRN Cc1n[nH]cc1CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001492244105 1065343096 /nfs/dbraw/zinc/34/30/96/1065343096.db2.gz MEHXGKGIGUXVBB-OAQYLSRUSA-N 0 0 451.575 3.427 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC2(C(N)=O)CCCC2)cc1C ZINC001492244959 1065343480 /nfs/dbraw/zinc/34/34/80/1065343480.db2.gz XSPOHFCGWZTMLT-SFHVURJKSA-N 0 0 468.602 3.197 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H](N4CCOCC4)C3)n2CCCOC(C)C)cc1C ZINC001492244428 1065343590 /nfs/dbraw/zinc/34/35/90/1065343590.db2.gz RVKAQOIUCOXTHV-FYYLOGMGSA-N 0 0 484.645 3.119 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCC2)cc1C ZINC001492244800 1065343617 /nfs/dbraw/zinc/34/36/17/1065343617.db2.gz WMHSWZLTIKZDOF-QUCCMNQESA-N 0 0 498.628 3.412 20 0 JGADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(C(C)C)n3CCn3cncn3)C2)cc1 ZINC001492288978 1065343952 /nfs/dbraw/zinc/34/39/52/1065343952.db2.gz RSGLGVXERVXONI-IBGZPJMESA-N 0 0 451.579 3.040 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCS(C)(=O)=O)n2C[C@H]2CCC(F)(F)C2)cc1C ZINC001492245109 1065344020 /nfs/dbraw/zinc/34/40/20/1065344020.db2.gz ZUCOSVAFYCTHAU-INIZCTEOSA-N 0 0 469.558 3.063 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCn2cc(Cl)cn2)cc1C ZINC001492246064 1065344703 /nfs/dbraw/zinc/34/47/03/1065344703.db2.gz BDKJPTMXZWHREZ-CALCHBBNSA-N 0 0 457.966 3.311 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCn2cnnn2)cc1C ZINC001492246769 1065345941 /nfs/dbraw/zinc/34/59/41/1065345941.db2.gz IZXCXROTMQTYJD-SFHVURJKSA-N 0 0 451.579 3.096 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCNC(=O)c2ccn[nH]2)cc1C ZINC001492248666 1065347086 /nfs/dbraw/zinc/34/70/86/1065347086.db2.gz TXNZMHRZIKCLLM-GOSISDBHSA-N 0 0 478.601 3.173 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C(N)=O)CC3)n2CC[C@H]2CCO[C@@H](C)C2)cc1C ZINC001492248949 1065347870 /nfs/dbraw/zinc/34/78/70/1065347870.db2.gz WCQCHCKQVLGYRQ-OALUTQOASA-N 0 0 468.602 3.054 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2CCCCCCO)cc1C ZINC001492248789 1065347875 /nfs/dbraw/zinc/34/78/75/1065347875.db2.gz VCMCOUJRBUNPQV-LVXARBLLSA-N 0 0 485.629 3.474 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CCO[C@@H](C)C2)cc1C ZINC001492250902 1065351229 /nfs/dbraw/zinc/35/12/29/1065351229.db2.gz UNXYKHNJKAGZKG-PZJWPPBQSA-N 0 0 482.629 3.444 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC001492251026 1065351759 /nfs/dbraw/zinc/35/17/59/1065351759.db2.gz VVLDOSOWVQWQHV-UXHICEINSA-N 0 0 473.643 3.454 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCC=CO2)cc1C ZINC001492251254 1065352528 /nfs/dbraw/zinc/35/25/28/1065352528.db2.gz YPCMQURVHSDCHC-OAQYLSRUSA-N 0 0 466.586 3.322 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCNC(=O)C(C)C)cc1C ZINC001492253323 1065353265 /nfs/dbraw/zinc/35/32/65/1065353265.db2.gz DTNMGACWONLFPG-OAQYLSRUSA-N 0 0 470.618 3.171 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)F)C3)n2CCCS(C)(=O)=O)cc1C ZINC001492254696 1065354543 /nfs/dbraw/zinc/35/45/43/1065354543.db2.gz MWKGIPJJNMOXDV-INIZCTEOSA-N 0 0 469.558 3.063 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCSC(C)C)cc1C ZINC001492254890 1065354922 /nfs/dbraw/zinc/35/49/22/1065354922.db2.gz PLFIRXLAVDKYGG-QHCPKHFHSA-N 0 0 491.683 3.304 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC2CCOCC2)cc1C ZINC001492254743 1065355150 /nfs/dbraw/zinc/35/51/50/1065355150.db2.gz NPFWGNLHGPDZPI-FQEVSTJZSA-N 0 0 468.602 3.056 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2CC2(C(=O)N(C)C)CCCC2)cc1C ZINC001492262939 1065356075 /nfs/dbraw/zinc/35/60/75/1065356075.db2.gz CDALBLWQUWNIAX-UHFFFAOYSA-N 0 0 468.602 3.023 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](Oc4ccccn4)C3)n2CCC(C)(C)O)cc1C ZINC001492255881 1065356312 /nfs/dbraw/zinc/35/63/12/1065356312.db2.gz ZGMAZKUDUZOYFO-FQEVSTJZSA-N 0 0 464.570 3.361 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2CCCS2)cc1C ZINC001492265247 1065356914 /nfs/dbraw/zinc/35/69/14/1065356914.db2.gz GCCZKNDYNKIDRA-RBUKOAKNSA-N 0 0 477.656 3.056 20 0 JGADRN Cc1nnsc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001492265720 1065358230 /nfs/dbraw/zinc/35/82/30/1065358230.db2.gz DNAJQLVCLPOWLA-UHFFFAOYSA-N 0 0 496.641 3.050 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(c4cnn(C)c4)CC3)n2CCC(C)C)cc1C ZINC001492265910 1065359600 /nfs/dbraw/zinc/35/96/00/1065359600.db2.gz HGBQOXYDAVMMHX-UHFFFAOYSA-N 0 0 450.591 3.253 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@](C)(O)C2CC2)cc1C ZINC001492265956 1065359639 /nfs/dbraw/zinc/35/96/39/1065359639.db2.gz LHYCYAHDDDAENM-ZBLYBZFDSA-N 0 0 496.656 3.439 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[C@H]2CCCCO2)cc1C ZINC001492266164 1065360884 /nfs/dbraw/zinc/36/08/84/1065360884.db2.gz KHZUZVSVWVYTOD-JOCHJYFZSA-N 0 0 482.629 3.411 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@]2(C)CCCO2)cc1C ZINC001492266078 1065360973 /nfs/dbraw/zinc/36/09/73/1065360973.db2.gz JDOFIFKHRLPXFY-VWLOTQADSA-N 0 0 468.602 3.021 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCc2ccncc2)cc1C ZINC001492266451 1065361567 /nfs/dbraw/zinc/36/15/67/1065361567.db2.gz MTBJJXAVXCMHHZ-UHFFFAOYSA-N 0 0 489.624 3.480 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2C[C@@H]2C)cc1C ZINC001492267149 1065362918 /nfs/dbraw/zinc/36/29/18/1065362918.db2.gz PDFXANSCHVBEBA-OALUTQOASA-N 0 0 452.603 3.498 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](c2ccsc2)N(C)C)cc1C ZINC001492268146 1065364283 /nfs/dbraw/zinc/36/42/83/1065364283.db2.gz SVWOCDUXUOBZSZ-WIYYLYMNSA-N 0 0 495.653 3.179 20 0 JGADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(CC(C)C)n3CCC(=O)N(C)C)C2)cc1 ZINC001492289135 1065365386 /nfs/dbraw/zinc/36/53/86/1065365386.db2.gz UIYGYJJVIOGVJI-FQEVSTJZSA-N 0 0 469.634 3.301 20 0 JGADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(CC4CC4)n3CCC(=O)NC(C)C)C2)cc1 ZINC001492289122 1065365468 /nfs/dbraw/zinc/36/54/68/1065365468.db2.gz SYSZKKANIXTUPS-OAQYLSRUSA-N 0 0 481.645 3.492 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H]2CCOC[C@@H]2C)cc1C ZINC001492269739 1065365476 /nfs/dbraw/zinc/36/54/76/1065365476.db2.gz ZUFXOTCWJQSWBE-LEWJYISDSA-N 0 0 482.629 3.124 20 0 JGADRN 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ZINC001492332053 1065402762 /nfs/dbraw/zinc/40/27/62/1065402762.db2.gz WHCFDPIGIWVVLE-UHFFFAOYSA-N 0 0 458.588 3.209 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CCN2CCOC[C@H]2C)cc1C ZINC001492332357 1065402779 /nfs/dbraw/zinc/40/27/79/1065402779.db2.gz YFDHERZFTSQWIZ-GGAORHGYSA-N 0 0 457.619 3.200 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccncc2Cl)cc1C ZINC001492336464 1065403510 /nfs/dbraw/zinc/40/35/10/1065403510.db2.gz FWBZKXXHAAAENQ-KRWDZBQOSA-N 0 0 454.962 3.238 20 0 JGADRN Cc1ccc(OCc2nnc(N(Cc3ccco3)C(C)C)n2CC2(C(N)=O)CCOCC2)cc1 ZINC001492336353 1065403514 /nfs/dbraw/zinc/40/35/14/1065403514.db2.gz FEVRFJGRIXKLGV-UHFFFAOYSA-N 0 0 467.570 3.456 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2nnc(C(C)(C)C)s2)cc1 ZINC001492336419 1065403520 /nfs/dbraw/zinc/40/35/20/1065403520.db2.gz ATAFVOGPWKKRCV-MRXNPFEDSA-N 0 0 469.615 3.030 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@]4(CCOC4)OC(C)(C)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492338176 1065406030 /nfs/dbraw/zinc/40/60/30/1065406030.db2.gz KJWPGLMWIXAAKO-DQEYMECFSA-N 0 0 458.603 3.347 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1 ZINC001492295316 1065410347 /nfs/dbraw/zinc/41/03/47/1065410347.db2.gz NDUDWKKOPITDPQ-XYVMCAHJSA-N 0 0 467.492 3.161 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)cc1 ZINC001492296139 1065411308 /nfs/dbraw/zinc/41/13/08/1065411308.db2.gz RXQVZYSPEOWNAJ-IBGZPJMESA-N 0 0 465.602 3.229 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC001492296145 1065411329 /nfs/dbraw/zinc/41/13/29/1065411329.db2.gz SCNQCLNFQXIQBP-IBGZPJMESA-N 0 0 475.659 3.477 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492296229 1065412215 /nfs/dbraw/zinc/41/22/15/1065412215.db2.gz SPJPMNVJAQXWFA-CMKODMSKSA-N 0 0 484.601 3.109 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC001492298030 1065412975 /nfs/dbraw/zinc/41/29/75/1065412975.db2.gz ZVNXQKWNTCBHGR-NLWGTHIKSA-N 0 0 450.605 3.165 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001492351812 1065414030 /nfs/dbraw/zinc/41/40/30/1065414030.db2.gz GHKWNPAVXVUQHA-LJQANCHMSA-N 0 0 461.632 3.216 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2Cc2nccc(C(F)F)n2)cc1C ZINC001492353546 1065415650 /nfs/dbraw/zinc/41/56/50/1065415650.db2.gz CZKHXBWMZXSHBC-UHFFFAOYSA-N 0 0 485.539 3.342 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CSCCS2)cc1C ZINC001492353886 1065417329 /nfs/dbraw/zinc/41/73/29/1065417329.db2.gz OXKZHAYKRREUKV-HXUWFJFHSA-N 0 0 475.684 3.414 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001492354104 1065418031 /nfs/dbraw/zinc/41/80/31/1065418031.db2.gz WZXOWBLJULAUGH-PZJWPPBQSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CCC(C)C)cc1C ZINC001492359927 1065421434 /nfs/dbraw/zinc/42/14/34/1065421434.db2.gz NZOHGWBREPXQSU-UHFFFAOYSA-N 0 0 463.648 3.380 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC2(C)CCCC2)cc1 ZINC001492359398 1065421463 /nfs/dbraw/zinc/42/14/63/1065421463.db2.gz JTLSNGGMEXMOKI-UHFFFAOYSA-N 0 0 461.632 3.264 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC2CC(C)(C)C2)cc1C ZINC001492360527 1065422383 /nfs/dbraw/zinc/42/23/83/1065422383.db2.gz VUQJUZAPZOCFEE-UHFFFAOYSA-N 0 0 475.659 3.428 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC2CCC(F)(F)CC2)cc1 ZINC001492362206 1065424208 /nfs/dbraw/zinc/42/42/08/1065424208.db2.gz CPWFCVCWBKOSFU-UHFFFAOYSA-N 0 0 477.556 3.462 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC001492364723 1065427255 /nfs/dbraw/zinc/42/72/55/1065427255.db2.gz YXJVMKTVTHHIPM-NRFANRHFSA-N 0 0 499.637 3.409 20 0 JGADRN Cc1nc(CCn2c(COc3ccc(C)cc3)nnc2N2CCC=C(Br)C2)n[nH]1 ZINC001492369169 1065428815 /nfs/dbraw/zinc/42/88/15/1065428815.db2.gz LXSSIZDLJJSFIL-UHFFFAOYSA-N 0 0 458.364 3.324 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@]2(C)CCCO2)cc1C ZINC001492369814 1065430258 /nfs/dbraw/zinc/43/02/58/1065430258.db2.gz CFWCLKPAVXVUQZ-REWPJTCUSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(C)C)C3)n2CCC(=O)N2CCOCC2)cc1 ZINC001492370141 1065431845 /nfs/dbraw/zinc/43/18/45/1065431845.db2.gz SBLCGUOQVCYLLN-OAQYLSRUSA-N 0 0 455.603 3.287 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001492370275 1065431945 /nfs/dbraw/zinc/43/19/45/1065431945.db2.gz HALIYFXMJDVNAX-AFMDSPMNSA-N 0 0 498.628 3.137 20 0 JGADRN Cc1csc([C@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCS(C)(=O)=O)C2)n1 ZINC001492370316 1065432888 /nfs/dbraw/zinc/43/28/88/1065432888.db2.gz HSQOVZVSUSTQNZ-SFHVURJKSA-N 0 0 475.640 3.359 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[C@H]2CCCCO2)cc1 ZINC001492370886 1065433447 /nfs/dbraw/zinc/43/34/47/1065433447.db2.gz MNVSGXKMSSYTJT-CTNGQTDRSA-N 0 0 462.616 3.138 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CCC(=O)N2CCOCC2)cc1C ZINC001492370977 1065434453 /nfs/dbraw/zinc/43/44/53/1065434453.db2.gz WFNXFVZYXQGVSE-IBGZPJMESA-N 0 0 477.556 3.204 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCN2CCOC[C@@H]2C)cc1 ZINC001492371363 1065435014 /nfs/dbraw/zinc/43/50/14/1065435014.db2.gz PQQCNTZCLGIKIK-VXKWHMMOSA-N 0 0 498.672 3.017 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](N4CCCS4(=O)=O)C3)n2CCSC(C)C)cc1 ZINC001492372211 1065436623 /nfs/dbraw/zinc/43/66/23/1065436623.db2.gz XJWKAKGRZMBYRM-FQEVSTJZSA-N 0 0 493.699 3.311 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[C@H]2COCCO2)cc1 ZINC001492372046 1065436657 /nfs/dbraw/zinc/43/66/57/1065436657.db2.gz VYYGEQSMVIVCNY-IRLDBZIGSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC(=O)NC(C)C)cc1 ZINC001492372191 1065436671 /nfs/dbraw/zinc/43/66/71/1065436671.db2.gz XAKJILBWAOLMDY-HXUWFJFHSA-N 0 0 484.645 3.211 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(F)(F)Br)cc1 ZINC001492372356 1065437297 /nfs/dbraw/zinc/43/72/97/1065437297.db2.gz YQWQRQYLSPTYLR-AWEZNQCLSA-N 0 0 472.334 3.245 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCc2ccncc2)cc1 ZINC001492376697 1065438950 /nfs/dbraw/zinc/43/89/50/1065438950.db2.gz CRKIZPRCWKAWAL-UHFFFAOYSA-N 0 0 462.598 3.498 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)cc1C ZINC001492376750 1065439931 /nfs/dbraw/zinc/43/99/31/1065439931.db2.gz DRLFWVNZEDWYHR-LJQANCHMSA-N 0 0 496.616 3.144 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCC(=O)NC(C)C)cc1C ZINC001492377154 1065440731 /nfs/dbraw/zinc/44/07/31/1065440731.db2.gz KUPVQLJNESNZTG-UHFFFAOYSA-N 0 0 484.645 3.083 20 0 JGADRN Cc1ccsc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001492377189 1065440747 /nfs/dbraw/zinc/44/07/47/1065440747.db2.gz MLBCBMNKTNJDNO-UHFFFAOYSA-N 0 0 489.667 3.364 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(C)C)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1C ZINC001492377499 1065441582 /nfs/dbraw/zinc/44/15/82/1065441582.db2.gz QYLMWLGIUHPZLS-QHCPKHFHSA-N 0 0 489.686 3.362 20 0 JGADRN Cc1nsc(N2CCCN(c3nnc(COc4ccc(C)cc4)n3C[C@](C)(O)C(C)C)CC2)n1 ZINC001492377852 1065442305 /nfs/dbraw/zinc/44/23/05/1065442305.db2.gz WRGMQVZTOIYGMC-DEOSSOPVSA-N 0 0 485.658 3.449 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](C)C3)n2CCCn2cc(CO)nn2)cc1C ZINC001492378401 1065443221 /nfs/dbraw/zinc/44/32/21/1065443221.db2.gz LIXLJSRALIKTFR-SFHVURJKSA-N 0 0 453.591 3.274 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 ZINC001492379808 1065444766 /nfs/dbraw/zinc/44/47/66/1065444766.db2.gz WQQZSUQRROZQQQ-FQEVSTJZSA-N 0 0 477.556 3.284 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@](C)(O)C2CCCCC2)cc1C ZINC001492382979 1065446334 /nfs/dbraw/zinc/44/63/34/1065446334.db2.gz HDAYFBXTPNOXPR-VWLOTQADSA-N 0 0 455.603 3.084 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CCc2cn[nH]c2)cc1 ZINC001492383021 1065446370 /nfs/dbraw/zinc/44/63/70/1065446370.db2.gz INHCHDNOANZCMX-UHFFFAOYSA-N 0 0 467.574 3.046 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC2([S@](C)=O)CC2)cc1 ZINC001492383353 1065447802 /nfs/dbraw/zinc/44/78/02/1065447802.db2.gz RBWROCFFIAAHMW-GTOJURISSA-N 0 0 485.576 3.149 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC2([S@](C)=O)CC2)cc1 ZINC001492383354 1065447824 /nfs/dbraw/zinc/44/78/24/1065447824.db2.gz RBWROCFFIAAHMW-JSRFKQPZSA-N 0 0 485.576 3.149 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2Cc2ccc(F)cn2)cc1 ZINC001492383975 1065449512 /nfs/dbraw/zinc/44/95/12/1065449512.db2.gz DDWURGZLNQWIMM-LJQANCHMSA-N 0 0 466.561 3.441 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCC(=O)N2CCCCCC2)cc1 ZINC001492384657 1065451443 /nfs/dbraw/zinc/45/14/43/1065451443.db2.gz JUBJLBAANXEKNA-UHFFFAOYSA-N 0 0 496.656 3.263 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCCN2CCCCC2=O)cc1 ZINC001492385584 1065453014 /nfs/dbraw/zinc/45/30/14/1065453014.db2.gz RYBWFDRVOYOLJQ-QFIPXVFZSA-N 0 0 496.656 3.261 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCc2cn[nH]c2)cc1 ZINC001492386083 1065454680 /nfs/dbraw/zinc/45/46/80/1065454680.db2.gz XMGDDXPIYOIXJB-KRWDZBQOSA-N 0 0 463.508 3.204 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CCc2cccs2)cc1C ZINC001492386192 1065454767 /nfs/dbraw/zinc/45/47/67/1065454767.db2.gz YYTRJJOSPMBOAP-UHFFFAOYSA-N 0 0 496.681 3.425 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCn2cnnn2)cc1C ZINC001492391274 1065455685 /nfs/dbraw/zinc/45/56/85/1065455685.db2.gz BRWUSHQQZLDUOX-XMMPIXPASA-N 0 0 468.606 3.192 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@]4(CCCOC4)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492343376 1065458068 /nfs/dbraw/zinc/45/80/68/1065458068.db2.gz BRPOJOMWTILWDH-RLWLMLJZSA-N 0 0 485.629 3.117 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@]4(CCOC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001492344180 1065458106 /nfs/dbraw/zinc/45/81/06/1065458106.db2.gz KHXLDOHSOKYUIS-UWJYYQICSA-N 0 0 470.492 3.476 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492344743 1065458921 /nfs/dbraw/zinc/45/89/21/1065458921.db2.gz PRPRRDJMZOLHEZ-GOSISDBHSA-N 0 0 495.546 3.284 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492345107 1065459703 /nfs/dbraw/zinc/45/97/03/1065459703.db2.gz AMQSHYUHDLRWSV-IQGLISFBSA-N 0 0 486.617 3.028 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@@H]4C3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001492345322 1065460475 /nfs/dbraw/zinc/46/04/75/1065460475.db2.gz UKFRFSJCTKHDIU-NVXWUHKLSA-N 0 0 451.493 3.469 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@]2(O)CCO[C@@H]2C)cc1 ZINC001492345273 1065460499 /nfs/dbraw/zinc/46/04/99/1065460499.db2.gz CDEIGYFNWIDLHO-IIBYNOLFSA-N 0 0 454.493 3.484 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H]4NC(=O)CC[C@H]4C3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001492345325 1065460518 /nfs/dbraw/zinc/46/05/18/1065460518.db2.gz UKFRFSJCTKHDIU-RDJZCZTQSA-N 0 0 451.493 3.469 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC(=O)N2CCOCC2)cc1C ZINC001492347578 1065462749 /nfs/dbraw/zinc/46/27/49/1065462749.db2.gz WGJATQRVQRSXED-FQEVSTJZSA-N 0 0 455.603 3.205 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCC(=O)N(C)C)cc1C ZINC001492347454 1065462759 /nfs/dbraw/zinc/46/27/59/1065462759.db2.gz UNBWFUPLBZGTRG-UHFFFAOYSA-N 0 0 481.519 3.300 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)n2CC(=O)N(C)C)cc1C ZINC001492347936 1065463554 /nfs/dbraw/zinc/46/35/54/1065463554.db2.gz YYYZCRJSPYYSLF-IBGZPJMESA-N 0 0 496.656 3.037 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cc1C ZINC001492392295 1065464252 /nfs/dbraw/zinc/46/42/52/1065464252.db2.gz WRDNAWLMNQVHGC-GHTZIAJQSA-N 0 0 498.628 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001492400367 1065469250 /nfs/dbraw/zinc/46/92/50/1065469250.db2.gz IAAULGUOJFAQCG-NRFANRHFSA-N 0 0 489.617 3.320 20 0 JGADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(COc4ccc(C)cc4)n3C[C@](C)(O)C(C)C)CCO2)n1 ZINC001492400242 1065469256 /nfs/dbraw/zinc/46/92/56/1065469256.db2.gz HCXREMYMZFQYFG-BVAGGSTKSA-N 0 0 482.629 3.291 20 0 JGADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(COc4ccc(C)cc4)n3C[C@@](C)(O)C(C)C)CCO2)n1 ZINC001492400248 1065469265 /nfs/dbraw/zinc/46/92/65/1065469265.db2.gz HCXREMYMZFQYFG-JYFHCDHNSA-N 0 0 482.629 3.291 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CCOC(C)C)cc1C ZINC001492399878 1065469286 /nfs/dbraw/zinc/46/92/86/1065469286.db2.gz DFOBHPSMUHCMHG-QFIPXVFZSA-N 0 0 454.575 3.210 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001492399944 1065469342 /nfs/dbraw/zinc/46/93/42/1065469342.db2.gz FGGLLTXPKCAZGV-NHCUHLMSSA-N 0 0 487.601 3.074 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCN(C)CC(F)(F)F)cc1C ZINC001492400621 1065470008 /nfs/dbraw/zinc/47/00/08/1065470008.db2.gz DKGYMFBYPVIGGY-APWZRJJASA-N 0 0 455.525 3.175 20 0 JGADRN 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ZINC001492452670 1065503415 /nfs/dbraw/zinc/50/34/15/1065503415.db2.gz IKKMXMOSSJSZDT-PZJWPPBQSA-N 0 0 459.660 3.197 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCNS(C)(=O)=O)n2C[C@H]2CCCCS2)cc1 ZINC001492452113 1065503444 /nfs/dbraw/zinc/50/34/44/1065503444.db2.gz DQADALUGEBHGML-GOSISDBHSA-N 0 0 469.702 3.150 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2Cc2ncn(C)n2)cc1 ZINC001492452223 1065503628 /nfs/dbraw/zinc/50/36/28/1065503628.db2.gz FYACQNIKGOTHNE-HOCLYGCPSA-N 0 0 467.521 3.212 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCNS(C)(=O)=O)n2C[C@@H]2CC[C@@H](F)C2)cc1 ZINC001492454702 1065505054 /nfs/dbraw/zinc/50/50/54/1065505054.db2.gz YXEWNZJRZNIZAG-IAGOWNOFSA-N 0 0 455.625 3.002 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCNS(=O)(=O)Cc2ccon2)cc1 ZINC001492455836 1065505537 /nfs/dbraw/zinc/50/55/37/1065505537.db2.gz DIWYPJKZRHESRL-ROUUACIJSA-N 0 0 490.655 3.221 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](Cc4cnn(C)c4)C3)n2CCC(=O)N(C)C)cc1 ZINC001492456232 1065506400 /nfs/dbraw/zinc/50/64/00/1065506400.db2.gz IMBRYPXXRSIIRO-LJQANCHMSA-N 0 0 467.643 3.160 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](C)[C@H]3C)n2CCS(=O)(=O)N2CCSCC2)cc1 ZINC001492456516 1065506963 /nfs/dbraw/zinc/50/69/63/1065506963.db2.gz QCDFRGQKARRZLG-RBUKOAKNSA-N 0 0 495.740 3.492 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC4(COC(=O)N4)CC3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492460119 1065508731 /nfs/dbraw/zinc/50/87/31/1065508731.db2.gz PHGVLBOOUOKNQY-UHFFFAOYSA-N 0 0 486.642 3.120 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](Oc4ccccn4)C3)n2CC(=O)NCC(F)F)cc1 ZINC001492460369 1065509080 /nfs/dbraw/zinc/50/90/80/1065509080.db2.gz WHTKSUMROMWSNY-KRWDZBQOSA-N 0 0 488.564 3.313 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCCC(=O)N(C)C)cc1 ZINC001492461276 1065509952 /nfs/dbraw/zinc/50/99/52/1065509952.db2.gz BLZGDRXWUVXAIA-FQEVSTJZSA-N 0 0 493.699 3.151 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CC(=O)N(C)C)cc1 ZINC001492461712 1065510464 /nfs/dbraw/zinc/51/04/64/1065510464.db2.gz HUERZBLFJMVTEU-UHFFFAOYSA-N 0 0 488.658 3.272 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001492462113 1065510519 /nfs/dbraw/zinc/51/05/19/1065510519.db2.gz MTLDBDJFEOSONO-UHFFFAOYSA-N 0 0 486.686 3.442 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC(=O)NCC2CC2)cc1 ZINC001492461892 1065510552 /nfs/dbraw/zinc/51/05/52/1065510552.db2.gz JUPYZXKQZSKJSZ-UHFFFAOYSA-N 0 0 496.603 3.479 20 0 JGADRN Cc1nccn1CCn1c(CSc2ccc(C)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001492462406 1065510813 /nfs/dbraw/zinc/51/08/13/1065510813.db2.gz OWOWANVKDHJZQJ-NRFANRHFSA-N 0 0 488.683 3.487 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCCCCO)cc1 ZINC001492462986 1065511017 /nfs/dbraw/zinc/51/10/17/1065511017.db2.gz SNUOQZDJYRTCIC-LJQANCHMSA-N 0 0 452.646 3.055 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCO[C@H](C)C2)cc1 ZINC001492465752 1065512604 /nfs/dbraw/zinc/51/26/04/1065512604.db2.gz JFGHKVWLKDYDIN-WOJBJXKFSA-N 0 0 493.699 3.166 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@H]2CCC=CO2)cc1 ZINC001492465876 1065513099 /nfs/dbraw/zinc/51/30/99/1065513099.db2.gz OGABMMSHXKUWKE-LJQANCHMSA-N 0 0 477.656 3.043 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2CC(F)(F)F)cc1 ZINC001492466042 1065513841 /nfs/dbraw/zinc/51/38/41/1065513841.db2.gz UOUPIOIJNMQFJC-KRWDZBQOSA-N 0 0 469.533 3.269 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCOC[C@H]2CCCO2)cc1 ZINC001492466154 1065514236 /nfs/dbraw/zinc/51/42/36/1065514236.db2.gz YLZWZUAGEWFYNI-WOJBJXKFSA-N 0 0 473.643 3.131 20 0 JGADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(CSc4ccc(C)cc4)n3CC(=O)NC(C)C)CCO2)n1 ZINC001492467741 1065514920 /nfs/dbraw/zinc/51/49/20/1065514920.db2.gz LJFYUCVCBDPWGL-NRFANRHFSA-N 0 0 497.669 3.122 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCOC[C@@H](C4CCC4)C3)n2CCS(C)(=O)=O)cc1 ZINC001492468364 1065516591 /nfs/dbraw/zinc/51/65/91/1065516591.db2.gz AZOSVQXVHCYAKW-IBGZPJMESA-N 0 0 464.657 3.176 20 0 JGADRN Cc1nc(C)c(CCn2c(CSc3ccc(C)cc3)nnc2N2CCS(=O)(=O)CC2)s1 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CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)CN2c3ccccc3OC(F)(F)C2=O)C1 ZINC001302332726 1066932334 /nfs/dbraw/zinc/93/23/34/1066932334.db2.gz ZEEGTHBZRFMEPN-HNNXBMFYSA-N 0 0 453.486 3.301 20 0 JGADRN CON(C)c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001302333627 1066932693 /nfs/dbraw/zinc/93/26/93/1066932693.db2.gz ZHNISJJBKRFYNV-UHFFFAOYSA-N 0 0 491.415 3.116 20 0 JGADRN CON(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(=O)(=O)c1ccccc1 ZINC001302333254 1066932733 /nfs/dbraw/zinc/93/27/33/1066932733.db2.gz SSONVHMLTOIGKU-HNNXBMFYSA-N 0 0 461.613 3.108 20 0 JGADRN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001302333803 1066932807 /nfs/dbraw/zinc/93/28/07/1066932807.db2.gz XFHNTLVZJUUPPZ-KRWDZBQOSA-N 0 0 453.605 3.155 20 0 JGADRN COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1=O ZINC001301909555 1066933439 /nfs/dbraw/zinc/93/34/39/1066933439.db2.gz RLQIBMJCLDZQDJ-KRWDZBQOSA-N 0 0 464.010 3.283 20 0 JGADRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CCCCCO ZINC001302334669 1066933972 /nfs/dbraw/zinc/93/39/72/1066933972.db2.gz ITACNKULSDYAJW-FYYLOGMGSA-N 0 0 487.620 3.347 20 0 JGADRN CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC001302334927 1066934404 /nfs/dbraw/zinc/93/44/04/1066934404.db2.gz OIRNVGKRXNRPKZ-KRWDZBQOSA-N 0 0 469.483 3.399 20 0 JGADRN COCCN1CCN(c2nnc(CC(C)(C)C)n2CCc2c[nH]c3c2cccc3C)CC1=O ZINC001301910247 1066934919 /nfs/dbraw/zinc/93/49/19/1066934919.db2.gz HZQLGMHECUFODV-UHFFFAOYSA-N 0 0 452.603 3.194 20 0 JGADRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C3CCC3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001302335569 1066935016 /nfs/dbraw/zinc/93/50/16/1066935016.db2.gz WFQZHFUZIWQUPL-BWKVVEIFSA-N 0 0 465.708 3.418 20 0 JGADRN CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCSC(F)(F)F)CCO1 ZINC001301910611 1066935158 /nfs/dbraw/zinc/93/51/58/1066935158.db2.gz DTYKGLBLZLUSTM-INIZCTEOSA-N 0 0 493.939 3.105 20 0 JGADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCSC(F)(F)F)CCO1 ZINC001301910612 1066935179 /nfs/dbraw/zinc/93/51/79/1066935179.db2.gz DTYKGLBLZLUSTM-MRXNPFEDSA-N 0 0 493.939 3.105 20 0 JGADRN COCCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(C)sc(C)c2Br)CC1 ZINC001301910731 1066935528 /nfs/dbraw/zinc/93/55/28/1066935528.db2.gz WESDMIRIYYQTIF-MRXNPFEDSA-N 0 0 484.464 3.040 20 0 JGADRN CC(=O)NC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2Cc2cccs2)CCO1 ZINC001301910997 1066936351 /nfs/dbraw/zinc/93/63/51/1066936351.db2.gz GNBLIPKUJICESF-GOSISDBHSA-N 0 0 457.625 3.330 20 0 JGADRN CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001302336687 1066936328 /nfs/dbraw/zinc/93/63/28/1066936328.db2.gz PZLCSEPVBBXWQT-CALCHBBNSA-N 0 0 463.966 3.463 20 0 JGADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)N3C[C@@H](O)[C@H](Oc4ccccc4)C3)C2)C1 ZINC001302337810 1066936686 /nfs/dbraw/zinc/93/66/86/1066936686.db2.gz IULFNMAVJVPZHL-OPFCRKFESA-N 0 0 462.612 3.206 20 0 JGADRN CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CCCCO)C1CC1 ZINC001302338203 1066936997 /nfs/dbraw/zinc/93/69/97/1066936997.db2.gz IQPLDWBWMLTFIU-UHFFFAOYSA-N 0 0 490.605 3.050 20 0 JGADRN CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001302338841 1066937624 /nfs/dbraw/zinc/93/76/24/1066937624.db2.gz RLRDKUOFHJFOOP-FYSMJZIKSA-N 0 0 478.638 3.174 20 0 JGADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Sc2ccccc2)CCO1 ZINC001301911747 1066937944 /nfs/dbraw/zinc/93/79/44/1066937944.db2.gz JJGQMKFHZBXQOF-OXQOHEQNSA-N 0 0 486.667 3.156 20 0 JGADRN CC(C)=CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001301912271 1066938593 /nfs/dbraw/zinc/93/85/93/1066938593.db2.gz OECRWWCDUUTFPY-UXHICEINSA-N 0 0 476.622 3.048 20 0 JGADRN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001301912613 1066939519 /nfs/dbraw/zinc/93/95/19/1066939519.db2.gz FPOAUGZDSFMCQB-HXUWFJFHSA-N 0 0 499.660 3.191 20 0 JGADRN CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001302341589 1066939941 /nfs/dbraw/zinc/93/99/41/1066939941.db2.gz QCLKFGQPZSEKJC-SJORKVTESA-N 0 0 493.630 3.070 20 0 JGADRN CC(C)(Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C(F)(F)F ZINC001302341390 1066939991 /nfs/dbraw/zinc/93/99/91/1066939991.db2.gz HEULQBAAQULFNK-AWEZNQCLSA-N 0 0 478.441 3.357 20 0 JGADRN CC(C)(Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CN2CCOCC2)C1)C(F)(F)F ZINC001302342057 1066940369 /nfs/dbraw/zinc/94/03/69/1066940369.db2.gz OTTUSLXLMZARBF-GOSISDBHSA-N 0 0 452.525 3.011 20 0 JGADRN CON(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCN(C)C(=O)OC(C)(C)C ZINC001302342256 1066940782 /nfs/dbraw/zinc/94/07/82/1066940782.db2.gz FSXFGOODGWXBNX-UHFFFAOYSA-N 0 0 471.562 3.100 20 0 JGADRN COCCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccsc2)CC1 ZINC001301913348 1066941667 /nfs/dbraw/zinc/94/16/67/1066941667.db2.gz NFUNISXUSCFXMM-FQEVSTJZSA-N 0 0 490.674 3.271 20 0 JGADRN CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1)c1cccc(F)c1 ZINC001302344632 1066941699 /nfs/dbraw/zinc/94/16/99/1066941699.db2.gz AGMAXYSBMODPSQ-UHFFFAOYSA-N 0 0 482.526 3.202 20 0 JGADRN CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ncccc2C)CCO1 ZINC001301913595 1066942207 /nfs/dbraw/zinc/94/22/07/1066942207.db2.gz RDVIQHCAMIGQSW-QFIPXVFZSA-N 0 0 492.624 3.382 20 0 JGADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCC2(C)C)CCO1 ZINC001301913901 1066942791 /nfs/dbraw/zinc/94/27/91/1066942791.db2.gz YRYJTGMFOPVJJT-GHTZIAJQSA-N 0 0 459.566 3.164 20 0 JGADRN CC(C)(Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccc(F)cc1 ZINC001302345464 1066943051 /nfs/dbraw/zinc/94/30/51/1066943051.db2.gz WAZZIQMNZOKUID-FXAWDEMLSA-N 0 0 479.622 3.012 20 0 JGADRN CON(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(NC(C)=O)c1 ZINC001302345650 1066943063 /nfs/dbraw/zinc/94/30/63/1066943063.db2.gz CJODQAHYDCFRMR-SFHVURJKSA-N 0 0 458.563 3.397 20 0 JGADRN CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCC2(C)C)CCO1 ZINC001301913903 1066943251 /nfs/dbraw/zinc/94/32/51/1066943251.db2.gz YRYJTGMFOPVJJT-RXVVDRJESA-N 0 0 459.566 3.164 20 0 JGADRN CON(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001302346517 1066943404 /nfs/dbraw/zinc/94/34/04/1066943404.db2.gz ZQOKRYKBRPTPOO-JKSUJKDBSA-N 0 0 476.544 3.274 20 0 JGADRN COc1ccc(C(=O)NCC(=O)c2cc(C)ccc2C)cc1S(=O)(=O)N1CCCCCC1 ZINC001301914584 1066943840 /nfs/dbraw/zinc/94/38/40/1066943840.db2.gz BSWPNBSRGJHESV-UHFFFAOYSA-N 0 0 458.580 3.489 20 0 JGADRN CON(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOc1ccc(C)cc1 ZINC001302348453 1066943964 /nfs/dbraw/zinc/94/39/64/1066943964.db2.gz QRWYXNJDHUWGLT-IBGZPJMESA-N 0 0 461.563 3.362 20 0 JGADRN CC(=O)NCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cccs1 ZINC001301914612 1066944085 /nfs/dbraw/zinc/94/40/85/1066944085.db2.gz QKRAIVKCYRQIOL-UHFFFAOYSA-N 0 0 460.991 3.086 20 0 JGADRN CON(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2ncccc2c1 ZINC001302348826 1066944228 /nfs/dbraw/zinc/94/42/28/1066944228.db2.gz UETNLKIEIDWMCK-IBGZPJMESA-N 0 0 454.531 3.181 20 0 JGADRN CON(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001302349811 1066944742 /nfs/dbraw/zinc/94/47/42/1066944742.db2.gz YBXLTBIQXQWPOB-SFHVURJKSA-N 0 0 489.621 3.304 20 0 JGADRN CC(C)(O)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001302352452 1066946125 /nfs/dbraw/zinc/94/61/25/1066946125.db2.gz CKIRTQYZXDUJKZ-KRWDZBQOSA-N 0 0 495.628 3.134 20 0 JGADRN CC(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001301916331 1066946499 /nfs/dbraw/zinc/94/64/99/1066946499.db2.gz JJKZKPFARAYQPK-UHFFFAOYSA-N 0 0 491.011 3.493 20 0 JGADRN CC(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301916709 1066946874 /nfs/dbraw/zinc/94/68/74/1066946874.db2.gz LYBBRLHVKDTNLX-GOSISDBHSA-N 0 0 460.579 3.208 20 0 JGADRN CC(C)(O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001302353884 1066946970 /nfs/dbraw/zinc/94/69/70/1066946970.db2.gz KDNIWAJMWVHQOP-OAHLLOKOSA-N 0 0 458.987 3.302 20 0 JGADRN CC(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001301917106 1066947216 /nfs/dbraw/zinc/94/72/16/1066947216.db2.gz QVVWBBMERVQGJQ-KRWDZBQOSA-N 0 0 485.976 3.276 20 0 JGADRN CC(C)(O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001302353889 1066947327 /nfs/dbraw/zinc/94/73/27/1066947327.db2.gz KGSAWCLKUKIMNL-SFHVURJKSA-N 0 0 465.957 3.046 20 0 JGADRN CC(C)(O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001302353893 1066947358 /nfs/dbraw/zinc/94/73/58/1066947358.db2.gz KHOIEVNZTHKEQH-IRXDYDNUSA-N 0 0 462.392 3.116 20 0 JGADRN COCCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC(F)(F)C2)CC1 ZINC001301916860 1066947352 /nfs/dbraw/zinc/94/73/52/1066947352.db2.gz ZXWUQOMNUCXPPI-UHFFFAOYSA-N 0 0 498.619 3.206 20 0 JGADRN CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001301916965 1066947399 /nfs/dbraw/zinc/94/73/99/1066947399.db2.gz PSGCFHKQLCJHLV-UHFFFAOYSA-N 0 0 496.015 3.181 20 0 JGADRN CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001301917334 1066947886 /nfs/dbraw/zinc/94/78/86/1066947886.db2.gz 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CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(c1nnc(Cc3ccc(F)cc3)n1CCC(C)(C)O)C2 ZINC001302358510 1066949871 /nfs/dbraw/zinc/94/98/71/1066949871.db2.gz JPVHWGLFJXKJJH-XDHUDOTRSA-N 0 0 459.566 3.272 20 0 JGADRN COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001301918832 1066950135 /nfs/dbraw/zinc/95/01/35/1066950135.db2.gz DLEDBJZRDSKFDM-UHFFFAOYSA-N 0 0 482.604 3.397 20 0 JGADRN CC(C)(O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001302359541 1066950523 /nfs/dbraw/zinc/95/05/23/1066950523.db2.gz HBQDIDKYWKLDLS-SFHVURJKSA-N 0 0 491.564 3.287 20 0 JGADRN CC(C)(O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001302359540 1066950603 /nfs/dbraw/zinc/95/06/03/1066950603.db2.gz HBQDIDKYWKLDLS-GOSISDBHSA-N 0 0 491.564 3.287 20 0 JGADRN CC(C)(O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001302359498 1066950673 /nfs/dbraw/zinc/95/06/73/1066950673.db2.gz GBDPXGGEFIWVSC-NRFANRHFSA-N 0 0 485.673 3.474 20 0 JGADRN 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CC(C)c1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CC(=O)NCC(F)(F)F ZINC001302654809 1067282969 /nfs/dbraw/zinc/28/29/69/1067282969.db2.gz MCKXQIDBQKEILQ-GFCCVEGCSA-N 0 0 467.418 3.137 20 0 JGADRN Cc1cc(NC(=O)CN2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(F)(F)F)CC2)no1 ZINC001304247999 1067283022 /nfs/dbraw/zinc/28/30/22/1067283022.db2.gz MSTXRNISKZXNJJ-UHFFFAOYSA-N 0 0 483.882 3.218 20 0 JGADRN CSc1cccc(F)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 ZINC001302654720 1067283086 /nfs/dbraw/zinc/28/30/86/1067283086.db2.gz FCVLZAKQSWLDPO-IBGZPJMESA-N 0 0 495.646 3.067 20 0 JGADRN CSc1cccc(F)c1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001302654930 1067283505 /nfs/dbraw/zinc/28/35/05/1067283505.db2.gz ICHIOQPCAQVPMO-QGZVFWFLSA-N 0 0 461.607 3.386 20 0 JGADRN Cc1cc(NC(=O)CN2CCN(c3nnc(CC(C)(C)C)n3CCOc3cccc(F)c3)CC2)no1 ZINC001304248145 1067283579 /nfs/dbraw/zinc/28/35/79/1067283579.db2.gz PYDKCAQFMYBKSP-UHFFFAOYSA-N 0 0 499.591 3.142 20 0 JGADRN CSc1cccc(F)c1Cn1c(-c2cccc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001302655154 1067283593 /nfs/dbraw/zinc/28/35/93/1067283593.db2.gz LBPXPRVGPWLCBM-UHFFFAOYSA-N 0 0 470.574 3.029 20 0 JGADRN CSc1cccc(F)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001302655424 1067283995 /nfs/dbraw/zinc/28/39/95/1067283995.db2.gz PAABBNLHSSUOGD-CYBMUJFWSA-N 0 0 499.037 3.482 20 0 JGADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001304248450 1067284010 /nfs/dbraw/zinc/28/40/10/1067284010.db2.gz XYMFTZOQASMWCY-HOTGVXAUSA-N 0 0 487.402 3.479 20 0 JGADRN Cc1cc(NC(=O)CN2CCN(c3nnc(CC(C)C)n3CC(C)(C)C(F)(F)F)CC2)no1 ZINC001304248439 1067284052 /nfs/dbraw/zinc/28/40/52/1067284052.db2.gz XLOMSZHBDNOTSY-UHFFFAOYSA-N 0 0 471.528 3.122 20 0 JGADRN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)CCC2(C)C)C1 ZINC001302656221 1067284832 /nfs/dbraw/zinc/28/48/32/1067284832.db2.gz IMFUFUPCVUMDAB-KRWDZBQOSA-N 0 0 455.596 3.260 20 0 JGADRN 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CSc1ccccc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 ZINC001302658853 1067286591 /nfs/dbraw/zinc/28/65/91/1067286591.db2.gz DHLGZANLCBMKPH-SFHVURJKSA-N 0 0 457.625 3.176 20 0 JGADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C(N)=O)CC2)c1 ZINC001304251781 1067286947 /nfs/dbraw/zinc/28/69/47/1067286947.db2.gz GRSRZQCNMRFGEY-FQEVSTJZSA-N 0 0 491.640 3.463 20 0 JGADRN CSc1cccc(F)c1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001302659493 1067287241 /nfs/dbraw/zinc/28/72/41/1067287241.db2.gz SVPBQRFQFPFNQX-GUYCJALGSA-N 0 0 487.523 3.466 20 0 JGADRN CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)[C@H]3CCCN(c4ccccc4)C3=O)CC2)C1 ZINC001304252124 1067287301 /nfs/dbraw/zinc/28/73/01/1067287301.db2.gz GNVFXDIDNXCNPG-OAQYLSRUSA-N 0 0 457.571 3.057 20 0 JGADRN CSc1ccccc1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 ZINC001302660678 1067287557 /nfs/dbraw/zinc/28/75/57/1067287557.db2.gz YOGOBAXQCKPIID-FDDCHVKYSA-N 0 0 459.616 3.113 20 0 JGADRN 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CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001302661358 1067288525 /nfs/dbraw/zinc/28/85/25/1067288525.db2.gz DDHXYKQEXPFESR-GOTSBHOMSA-N 0 0 489.686 3.096 20 0 JGADRN CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001302661359 1067288573 /nfs/dbraw/zinc/28/85/73/1067288573.db2.gz DDHXYKQEXPFESR-PKTZIBPZSA-N 0 0 489.686 3.096 20 0 JGADRN Cc1nc(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)Oc2cccc(C)c2)cs1 ZINC001304254467 1067289434 /nfs/dbraw/zinc/28/94/34/1067289434.db2.gz SDTOBFAIZZPMAU-UZLBHIALSA-N 0 0 475.640 3.033 20 0 JGADRN Cc1nc(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)Oc2cccc(C)c2)cs1 ZINC001304254464 1067289505 /nfs/dbraw/zinc/28/95/05/1067289505.db2.gz SDTOBFAIZZPMAU-JXFKEZNVSA-N 0 0 475.640 3.033 20 0 JGADRN Cc1nc(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)Oc2cccc(C)c2)cs1 ZINC001304254465 1067289558 /nfs/dbraw/zinc/28/95/58/1067289558.db2.gz SDTOBFAIZZPMAU-OXJNMPFZSA-N 0 0 475.640 3.033 20 0 JGADRN CSc1ccccc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N(C)C ZINC001302662589 1067289810 /nfs/dbraw/zinc/28/98/10/1067289810.db2.gz BTASMVSFAIZGHP-UHFFFAOYSA-N 0 0 472.640 3.106 20 0 JGADRN CS[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)CC(F)(F)F)C1 ZINC001302662827 1067289844 /nfs/dbraw/zinc/28/98/44/1067289844.db2.gz CTGXZHXAGKENHM-INIZCTEOSA-N 0 0 462.586 3.120 20 0 JGADRN CSc1ccccc1CN(C)c1nnc(CN2CCCC2=O)n1CCCc1c[nH]nc1C ZINC001302663170 1067289901 /nfs/dbraw/zinc/28/99/01/1067289901.db2.gz HNOZAZFMZCTUJK-UHFFFAOYSA-N 0 0 453.616 3.423 20 0 JGADRN CSc1ccccc1CN(C)c1nnc(CN2CCCC2=O)n1CCN(C)CC(F)(F)F ZINC001302662586 1067289954 /nfs/dbraw/zinc/28/99/54/1067289954.db2.gz BNCOIIALECVASE-UHFFFAOYSA-N 0 0 470.565 3.253 20 0 JGADRN CSc1ccccc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC(C)(C)C ZINC001302662863 1067289986 /nfs/dbraw/zinc/28/99/86/1067289986.db2.gz DJKNUDVNOWPHIP-KRWDZBQOSA-N 0 0 452.646 3.354 20 0 JGADRN Cc1cccc(O[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCOC2)c1 ZINC001304255018 1067290018 /nfs/dbraw/zinc/29/00/18/1067290018.db2.gz WCGQMKSESDNAQF-ROUUACIJSA-N 0 0 455.584 3.271 20 0 JGADRN Cc1cccc(O[C@H](C)Cn2c(C3CCCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001304254993 1067290037 /nfs/dbraw/zinc/29/00/37/1067290037.db2.gz VUEKDSMYQKUIHY-UXHICEINSA-N 0 0 475.659 3.477 20 0 JGADRN CS[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCOCC3)c2)C1 ZINC001302663467 1067290298 /nfs/dbraw/zinc/29/02/98/1067290298.db2.gz LFWNAHLSHINKOP-QFIPXVFZSA-N 0 0 486.686 3.019 20 0 JGADRN CC(C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CC(=O)Nc1ccc(F)cc1 ZINC001302663633 1067290374 /nfs/dbraw/zinc/29/03/74/1067290374.db2.gz AEOKXEHKSGRAET-UHFFFAOYSA-N 0 0 455.513 3.430 20 0 JGADRN CS[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001302663607 1067290523 /nfs/dbraw/zinc/29/05/23/1067290523.db2.gz POHKLCXOOFUJAU-AWEZNQCLSA-N 0 0 471.553 3.190 20 0 JGADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC001304255205 1067290481 /nfs/dbraw/zinc/29/04/81/1067290481.db2.gz ZFODNLLTIDTFSG-IRLDBZIGSA-N 0 0 469.630 3.470 20 0 JGADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(NC(=O)C(C)C)CC2)c1 ZINC001304255180 1067290492 /nfs/dbraw/zinc/29/04/92/1067290492.db2.gz YVHRCGCJLJXQGL-IBGZPJMESA-N 0 0 465.602 3.196 20 0 JGADRN CS[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(F)c(F)c2)C1 ZINC001302663925 1067290931 /nfs/dbraw/zinc/29/09/31/1067290931.db2.gz SYEHWWMXABRYAS-INIZCTEOSA-N 0 0 453.559 3.495 20 0 JGADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(=O)N4CCCC4)n3CCCC(C)C)CC2)cc1 ZINC001304256114 1067291370 /nfs/dbraw/zinc/29/13/70/1067291370.db2.gz OXGCNCDMEGDZKU-UHFFFAOYSA-N 0 0 452.603 3.221 20 0 JGADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)c3ccco3)CC2)s1 ZINC001304255856 1067291428 /nfs/dbraw/zinc/29/14/28/1067291428.db2.gz MQZDXVLTNMFUFA-HSZRJFAPSA-N 0 0 457.600 3.409 20 0 JGADRN CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCCCCS(C)(=O)=O ZINC001302664145 1067291663 /nfs/dbraw/zinc/29/16/63/1067291663.db2.gz GBTHFUVZVKQUTQ-UHFFFAOYSA-N 0 0 467.680 3.235 20 0 JGADRN 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Cc1ccc(NC(=O)c2nnc(N3CCC(C)CC3)n2CC(C)(C)N2CCOCC2)cc1C ZINC001304379433 1067424455 /nfs/dbraw/zinc/42/44/55/1067424455.db2.gz XWYOZGWNXBBUFV-UHFFFAOYSA-N 0 0 454.619 3.494 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001302838643 1067424924 /nfs/dbraw/zinc/42/49/24/1067424924.db2.gz WNNQYFJHMRDKIF-LJQANCHMSA-N 0 0 472.638 3.239 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCNC(=O)C(C)(C)C)C[C@@H]1O ZINC001302839236 1067425538 /nfs/dbraw/zinc/42/55/38/1067425538.db2.gz NIPQJENJRBGCRE-DYVFJYSZSA-N 0 0 482.398 3.216 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)c3ccco3)n2CCC(=O)N2CCOCC2)cc1C ZINC001304379796 1067425776 /nfs/dbraw/zinc/42/57/76/1067425776.db2.gz UKWVZPZKUPKKPJ-LJQANCHMSA-N 0 0 480.569 3.187 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC(=O)N(C)Cc1ccccc1 ZINC001302839114 1067425822 /nfs/dbraw/zinc/42/58/22/1067425822.db2.gz YHAABCFRUUNPLT-QFIPXVFZSA-N 0 0 476.629 3.030 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCNC(=O)C2CCC2)C[C@@H]1O ZINC001302839254 1067425841 /nfs/dbraw/zinc/42/58/41/1067425841.db2.gz OGLFYNVZKXAZNQ-HIFRSBDPSA-N 0 0 482.448 3.283 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[C@@H]2CCCCO2)cc1C ZINC001304379904 1067426421 /nfs/dbraw/zinc/42/64/21/1067426421.db2.gz WGNIBAKRBPEISW-CTNGQTDRSA-N 0 0 468.602 3.163 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2C[C@](C)(O)C(C)C)cc1C ZINC001304380160 1067426887 /nfs/dbraw/zinc/42/68/87/1067426887.db2.gz XKHFAZNLHJRGHY-DNYCOITNSA-N 0 0 455.603 3.151 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@H]2CCC[C@@H]2C)cc1C ZINC001304380293 1067427352 /nfs/dbraw/zinc/42/73/52/1067427352.db2.gz RDOKXAFIBOVQHF-HKUYNNGSSA-N 0 0 488.658 3.101 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@]4(CCCOC4)C3)n2CC(F)(F)F)cc1C ZINC001304380183 1067427414 /nfs/dbraw/zinc/42/74/14/1067427414.db2.gz XSNCXZGRXFZVII-IIBYNOLFSA-N 0 0 467.492 3.484 20 0 JGADRN C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1O ZINC001302841141 1067427468 /nfs/dbraw/zinc/42/74/68/1067427468.db2.gz CPSNOECRDRLNQH-QMMLZNLJSA-N 0 0 469.630 3.276 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CCCN2CCOCC2)cc1C ZINC001304380358 1067427768 /nfs/dbraw/zinc/42/77/68/1067427768.db2.gz YZVPSUSCHPJHNG-RXVVDRJESA-N 0 0 454.619 3.494 20 0 JGADRN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1ncc(Br)s1 ZINC001302841797 1067427840 /nfs/dbraw/zinc/42/78/40/1067427840.db2.gz HMZVQDNPIBEGQJ-UHFFFAOYSA-N 0 0 453.387 3.262 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(Cl)=C(Cl)C3)n2Cc2ncn(C)n2)cc1C ZINC001304380372 1067427855 /nfs/dbraw/zinc/42/78/55/1067427855.db2.gz RYKQJSLEELZFAK-UHFFFAOYSA-N 0 0 461.357 3.223 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H](N4CCOCC4)C3)n2CCC(C)(F)F)cc1C ZINC001304380334 1067427860 /nfs/dbraw/zinc/42/78/60/1067427860.db2.gz YUMCVHRIYAGGKU-UYAOXDASSA-N 0 0 476.572 3.349 20 0 JGADRN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC001302841276 1067427967 /nfs/dbraw/zinc/42/79/67/1067427967.db2.gz CRPVYAVZGIFHGD-GCJKJVERSA-N 0 0 461.971 3.271 20 0 JGADRN C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@H](O)C2)C[C@@H]1O ZINC001302841829 1067428516 /nfs/dbraw/zinc/42/85/16/1067428516.db2.gz KJAJNZZNRIIFFD-DEPCRRQNSA-N 0 0 463.623 3.108 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C2CC2)cc1C ZINC001304381017 1067428775 /nfs/dbraw/zinc/42/87/75/1067428775.db2.gz ZPVLTTJUXCTVPM-IBVKSMDESA-N 0 0 498.628 3.412 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(CCCO)CC3)n2CCN2CCOCC2(C)C)cc1C ZINC001304380696 1067428805 /nfs/dbraw/zinc/42/88/05/1067428805.db2.gz VHVGEFHADUTOIB-UHFFFAOYSA-N 0 0 498.672 3.247 20 0 JGADRN C[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2([S@](C)=O)CCC2)C[C@@H]1O ZINC001302843064 1067429363 /nfs/dbraw/zinc/42/93/63/1067429363.db2.gz YDFMTDHLQMMULW-NQUPLYSKSA-N 0 0 497.459 3.128 20 0 JGADRN C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(F)(F)Br)C[C@@H]1O ZINC001302843819 1067429823 /nfs/dbraw/zinc/42/98/23/1067429823.db2.gz NUVUWJKRAZZAQS-YGRLFVJLSA-N 0 0 451.262 3.342 20 0 JGADRN C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1O ZINC001302844127 1067430248 /nfs/dbraw/zinc/43/02/48/1067430248.db2.gz UUCDABULDAUEDI-QRWLVFNGSA-N 0 0 477.556 3.221 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001302844679 1067430591 /nfs/dbraw/zinc/43/05/91/1067430591.db2.gz FAJCVBDHVPXOAU-HLAWJBBLSA-N 0 0 493.649 3.000 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001302844942 1067430599 /nfs/dbraw/zinc/43/05/99/1067430599.db2.gz VWRLAHKOPYABHH-QWFCFKBJSA-N 0 0 456.591 3.135 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)cc1C ZINC001304382302 1067430669 /nfs/dbraw/zinc/43/06/69/1067430669.db2.gz GICRNTGJRFMAMU-GHTZIAJQSA-N 0 0 468.602 3.069 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001302844902 1067430708 /nfs/dbraw/zinc/43/07/08/1067430708.db2.gz UIPVTECKQAXCHJ-WIYYLYMNSA-N 0 0 470.618 3.430 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2CCSCCCO)cc1C ZINC001304382620 1067431147 /nfs/dbraw/zinc/43/11/47/1067431147.db2.gz KREXUTQDVNAJLH-FPOVZHCZSA-N 0 0 473.643 3.268 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001302846072 1067431517 /nfs/dbraw/zinc/43/15/17/1067431517.db2.gz YMMSQAAZIHGHQM-TZMCWYRMSA-N 0 0 489.461 3.208 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2CCCOC[C@@H]2CCOC2)cc1C ZINC001304382929 1067431897 /nfs/dbraw/zinc/43/18/97/1067431897.db2.gz JOKSCRWIWZWCDD-FQEVSTJZSA-N 0 0 471.602 3.206 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCc2cccs2)cc1C ZINC001304383268 1067432421 /nfs/dbraw/zinc/43/24/21/1067432421.db2.gz JZAIPZSJVUNEND-KRWDZBQOSA-N 0 0 452.584 3.118 20 0 JGADRN 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C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1F ZINC001302850249 1067434498 /nfs/dbraw/zinc/43/44/98/1067434498.db2.gz GHUQQRMTVGWNGW-DOMZBBRYSA-N 0 0 457.369 3.079 20 0 JGADRN CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001302849395 1067434541 /nfs/dbraw/zinc/43/45/41/1067434541.db2.gz YGVNPGVVPREDNA-OAHLLOKOSA-N 0 0 499.563 3.086 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cnnn2)CCN1C(=O)OC(C)(C)C ZINC001302850166 1067434547 /nfs/dbraw/zinc/43/45/47/1067434547.db2.gz CRPVIPSQEPJCOV-MRXNPFEDSA-N 0 0 487.996 3.121 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1F ZINC001302850368 1067435103 /nfs/dbraw/zinc/43/51/03/1067435103.db2.gz IIJIWEGBRSKZQK-APWZRJJASA-N 0 0 452.596 3.098 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C)C3)n2C[C@](C)(O)c2ccsc2)cc1C ZINC001304384436 1067435280 /nfs/dbraw/zinc/43/52/80/1067435280.db2.gz QXSGMZBGYWNPFL-HXOBKFHXSA-N 0 0 455.584 3.342 20 0 JGADRN 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/nfs/dbraw/zinc/49/58/77/1067495877.db2.gz SUEVDIZDOSPVOT-IBGZPJMESA-N 0 0 489.667 3.362 20 0 JGADRN CC(C)Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001302909952 1067495862 /nfs/dbraw/zinc/49/58/62/1067495862.db2.gz ZUQKDIVMFKSZQB-UHFFFAOYSA-N 0 0 474.549 3.479 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC2([S@@](C)=O)CCC2)cc1C ZINC001304420897 1067496212 /nfs/dbraw/zinc/49/62/12/1067496212.db2.gz WBSXPWLCLZMBFA-MGBGTMOVSA-N 0 0 481.613 3.162 20 0 JGADRN C[C@H]1COC(C)(C)CN1c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302911063 1067496642 /nfs/dbraw/zinc/49/66/42/1067496642.db2.gz PPSMVJKOORWERS-ZDUSSCGKSA-N 0 0 450.465 3.471 20 0 JGADRN C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OC(F)(F)F ZINC001302911006 1067496667 /nfs/dbraw/zinc/49/66/67/1067496667.db2.gz NHDOQOMBOPUWDG-DZGCQCFKSA-N 0 0 453.465 3.180 20 0 JGADRN C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1COCCO1 ZINC001302910858 1067496676 /nfs/dbraw/zinc/49/66/76/1067496676.db2.gz QPYHPGNPXLKXGF-DZGCQCFKSA-N 0 0 469.355 3.266 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CCOCC(F)F)cc1C ZINC001304421182 1067496733 /nfs/dbraw/zinc/49/67/33/1067496733.db2.gz POHTVABTTKGJHO-FQEVSTJZSA-N 0 0 476.528 3.067 20 0 JGADRN C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1([S@](C)=O)CC1 ZINC001302911126 1067496730 /nfs/dbraw/zinc/49/67/30/1067496730.db2.gz SKOYFKMWSMLMGQ-PSKUBERUSA-N 0 0 454.543 3.461 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001304421323 1067497153 /nfs/dbraw/zinc/49/71/53/1067497153.db2.gz QTBCZKMVKAXKOP-DGEUOFBXSA-N 0 0 490.670 3.405 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4OCO[C@H]4C3)n2CCSCC(F)(F)F)cc1C ZINC001304421694 1067497679 /nfs/dbraw/zinc/49/76/79/1067497679.db2.gz GBEUXHZPXOKVIV-CALCHBBNSA-N 0 0 458.506 3.331 20 0 JGADRN CC(C)Cc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001302912272 1067497618 /nfs/dbraw/zinc/49/76/18/1067497618.db2.gz KATFPBMKGSUYHO-UHFFFAOYSA-N 0 0 462.476 3.080 20 0 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ZINC001303021344 1067573206 /nfs/dbraw/zinc/57/32/06/1067573206.db2.gz MTVKYQBKXJCOEK-HNNXBMFYSA-N 0 0 458.426 3.485 20 0 JGADRN Cc1cccc(C[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3CCCOC(F)(F)F)CC2)c1 ZINC001304497622 1067573200 /nfs/dbraw/zinc/57/32/00/1067573200.db2.gz HLZYKUQKRTWZBE-UHFFFAOYSA-N 0 0 463.508 3.236 20 0 JGADRN Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(c3nccs3)CC2)c1 ZINC001304497604 1067573239 /nfs/dbraw/zinc/57/32/39/1067573239.db2.gz QMNFHYJZSVISDB-INIZCTEOSA-N 0 0 460.629 3.086 20 0 JGADRN NC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCOCC(F)F)C1 ZINC001303021617 1067573433 /nfs/dbraw/zinc/57/34/33/1067573433.db2.gz CKHFHAICAFBEMT-CQSZACIVSA-N 0 0 472.334 3.081 20 0 JGADRN Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(OC3CCCC3)CC2)c1 ZINC001304498636 1067573923 /nfs/dbraw/zinc/57/39/23/1067573923.db2.gz WEVNTIKJYQACCD-GOSISDBHSA-N 0 0 461.632 3.173 20 0 JGADRN NC(=O)c1cccc(CCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001303022397 1067574200 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ILMNDKXFJMSEGS-MJGOQNOKSA-N 0 0 475.615 3.271 20 0 JGADRN Cc1cccc(OCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCc2cccc(C)n2)c1 ZINC001304500169 1067575273 /nfs/dbraw/zinc/57/52/73/1067575273.db2.gz KIYOBNHVXUBRPO-PMACEKPBSA-N 0 0 471.627 3.369 20 0 JGADRN NC(=O)c1cccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CCCO)CC2)c1 ZINC001303023000 1067575336 /nfs/dbraw/zinc/57/53/36/1067575336.db2.gz RYVMDFPNFZBCJT-UHFFFAOYSA-N 0 0 487.402 3.172 20 0 JGADRN Cc1ncc(Cn2c(COc3cccc(C)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)s1 ZINC001304500864 1067575462 /nfs/dbraw/zinc/57/54/62/1067575462.db2.gz PRWZWHJEWODOHB-JKSUJKDBSA-N 0 0 463.629 3.237 20 0 JGADRN Cc1cccc(NC(=O)CN2CCN(c3nnc(CC(C)C)n3CCC3(O)CCC3)CC2)c1C ZINC001304500888 1067575470 /nfs/dbraw/zinc/57/54/70/1067575470.db2.gz QEFOIFVFGAKCFL-UHFFFAOYSA-N 0 0 468.646 3.159 20 0 JGADRN Cc1cccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](C)c2nccs2)c1 ZINC001304501379 1067575779 /nfs/dbraw/zinc/57/57/79/1067575779.db2.gz XFANWGKFAZCZLJ-DLBZAZTESA-N 0 0 463.629 3.295 20 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20 0 JGADRN COc1ccccc1-c1cc(C(F)(F)N2C[C@H]3OCCN(c4ncccn4)[C@@H]3C2)c(Cl)nn1 ZINC001164691748 719802435 /nfs/dbraw/zinc/80/24/35/719802435.db2.gz JOLPXZGKDBPDON-IEBWSBKVSA-N 0 0 474.899 3.235 20 0 JGADRN Cc1cc(C(F)(F)N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)cc(Cl)n1 ZINC001164704013 719817675 /nfs/dbraw/zinc/81/76/75/719817675.db2.gz WWCPXHUVCHBTRU-ATZDWAIDSA-N 0 0 450.917 3.326 20 0 JGADRN O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@@H]2O1 ZINC001164703448 719818143 /nfs/dbraw/zinc/81/81/43/719818143.db2.gz VKKNMNQDLCBGAN-RCBQFDQVSA-N 0 0 472.323 3.066 20 0 JGADRN O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@@H]2O1 ZINC001164704535 719818213 /nfs/dbraw/zinc/81/82/13/719818213.db2.gz ZGWMBQWULVKSGK-SNPRPXQTSA-N 0 0 472.323 3.066 20 0 JGADRN O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(C(F)(F)c3cnc(Cl)c(F)c3)C[C@@H]2O1 ZINC001164703109 719818357 /nfs/dbraw/zinc/81/83/57/719818357.db2.gz UIHGNRONBHYQNB-BVGQSLNGSA-N 0 0 454.880 3.157 20 0 JGADRN 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ZINC001164705210 719846109 /nfs/dbraw/zinc/84/61/09/719846109.db2.gz SWCDEAHLJPKPLG-RBZFPXEDSA-N 0 0 472.895 3.200 20 0 JGADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164700940 719853076 /nfs/dbraw/zinc/85/30/76/719853076.db2.gz ITDFKQJDOPMPGP-VBKZILBWSA-N 0 0 472.895 3.200 20 0 JGADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(C(=O)Nc2ccc(Cl)nc2)ccc1F ZINC001164701429 719854450 /nfs/dbraw/zinc/85/44/50/719854450.db2.gz KMUQVTAKMARRPW-MHECFPHRSA-N 0 0 490.963 3.359 20 0 JGADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164701948 719859639 /nfs/dbraw/zinc/85/96/39/719859639.db2.gz MGCFESAOSQDNSA-UZLBHIALSA-N 0 0 454.905 3.061 20 0 JGADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1nc2ccccc2nc1Cl ZINC001164699502 719860701 /nfs/dbraw/zinc/86/07/01/719860701.db2.gz FUZGXMXLUOZYTK-XOBRGWDASA-N 0 0 454.905 3.061 20 0 JGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(-c2ccc(C3OCCCO3)cc2)cn1 ZINC001164703730 719863884 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O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@@H]21)N1CCCO1 ZINC001164792646 721480268 /nfs/dbraw/zinc/48/02/68/721480268.db2.gz ODZSGDXEGXTFLE-QGPMSJSTSA-N 0 0 452.889 3.223 20 0 JGADRN O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@@H]21)N1CCCO1 ZINC001164792671 721481228 /nfs/dbraw/zinc/48/12/28/721481228.db2.gz OJWRCAMBXYQBEM-JFIYKMOQSA-N 0 0 452.889 3.223 20 0 JGADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@@H]4C3)c2c1C ZINC001164791899 721482061 /nfs/dbraw/zinc/48/20/61/721482061.db2.gz KLOOMJUKQCBGCG-AABGKKOBSA-N 0 0 485.654 3.299 20 0 JGADRN O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@@H]12)N1CCCO1 ZINC001164790544 721482074 /nfs/dbraw/zinc/48/20/74/721482074.db2.gz FWGAGXSLUBEANZ-IKGGRYGDSA-N 0 0 479.915 3.132 20 0 JGADRN O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C[C@@H]12)N1CCCO1 ZINC001164793439 721482561 /nfs/dbraw/zinc/48/25/61/721482561.db2.gz VDOJSYSSDHYGCT-KEYYUXOJSA-N 0 0 468.888 3.330 20 0 JGADRN O=C([C@@H]1CCO[C@@H]2CCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]21)N1CCCO1 ZINC001164790518 721482567 /nfs/dbraw/zinc/48/25/67/721482567.db2.gz FFEUOFJTIHCWSA-IVKZONNUSA-N 0 0 476.936 3.320 20 0 JGADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164793576 721485399 /nfs/dbraw/zinc/48/53/99/721485399.db2.gz STDBOPKVULLAHV-VLIAUNLRSA-N 0 0 469.895 3.341 20 0 JGADRN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4COC[C@]4(COc4ncccc4F)C3)c2c1C ZINC001164791679 721487460 /nfs/dbraw/zinc/48/74/60/721487460.db2.gz DNSMWLAWYNYEGI-CJAUYULYSA-N 0 0 499.612 3.206 20 0 JGADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164894811 721487668 /nfs/dbraw/zinc/48/76/68/721487668.db2.gz JAQNLYVNQGPDCJ-HNNXBMFYSA-N 0 0 456.888 3.467 20 0 JGADRN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164898926 721488047 /nfs/dbraw/zinc/48/80/47/721488047.db2.gz XCQJSYJCPRDODO-CQSZACIVSA-N 0 0 451.865 3.102 20 0 JGADRN COC(=O)c1cc(C(F)(F)N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)cnc1Cl ZINC001164895878 721489031 /nfs/dbraw/zinc/48/90/31/721489031.db2.gz NQNJNVGVBLHPDJ-CYBMUJFWSA-N 0 0 457.905 3.111 20 0 JGADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)cnc1Cl ZINC001164792085 721489167 /nfs/dbraw/zinc/48/91/67/721489167.db2.gz GGSYKPNXJCFYEG-IFXJQAMLSA-N 0 0 491.919 3.139 20 0 JGADRN Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)nc(Cl)n1 ZINC001164897465 721493824 /nfs/dbraw/zinc/49/38/24/721493824.db2.gz DCYMBUMXOLPKJS-QLFBSQMISA-N 0 0 466.949 3.205 20 0 JGADRN FC(F)(Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164901246 721493866 /nfs/dbraw/zinc/49/38/66/721493866.db2.gz UVPZTPYTFSPMDX-OFQRWUPVSA-N 0 0 467.933 3.382 20 0 JGADRN Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164900904 721494496 /nfs/dbraw/zinc/49/44/96/721494496.db2.gz SDVOFSQEBRESMA-WOSRLPQWSA-N 0 0 466.949 3.084 20 0 JGADRN FC(F)(COc1ccnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164897401 721494547 /nfs/dbraw/zinc/49/45/47/721494547.db2.gz CXEWIOMTCXWXNO-HLLBOEOZSA-N 0 0 481.960 3.424 20 0 JGADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164898684 721500895 /nfs/dbraw/zinc/50/08/95/721500895.db2.gz TUBRFDQJFZMUIR-XMMPIXPASA-N 0 0 463.626 3.183 20 0 JGADRN CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)cnc1Cl ZINC001164896775 721502669 /nfs/dbraw/zinc/50/26/69/721502669.db2.gz JUWDRDCBHLGVAP-QGZVFWFLSA-N 0 0 494.004 3.221 20 0 JGADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC001164895230 721504693 /nfs/dbraw/zinc/50/46/93/721504693.db2.gz BATIBCWEPIBNGR-AWEZNQCLSA-N 0 0 450.873 3.104 20 0 JGADRN O=C1CCC2(CCN([C@@](F)(COc3cncc(Cl)n3)C(F)F)CC2)N1Cc1ccncc1 ZINC001164900053 721506862 /nfs/dbraw/zinc/50/68/62/721506862.db2.gz NOLHXGSUUZLYDP-NRFANRHFSA-N 0 0 469.895 3.492 20 0 JGADRN CS(=O)(=O)c1cc(C(F)(F)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)cnc1Cl ZINC001164901446 721507152 /nfs/dbraw/zinc/50/71/52/721507152.db2.gz XIKUKYFVDYBMID-UHFFFAOYSA-N 0 0 484.956 3.240 20 0 JGADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164811192 721550593 /nfs/dbraw/zinc/55/05/93/721550593.db2.gz ZIPJCPPZFYJAGW-ZWOKBUDYSA-N 0 0 466.916 3.330 20 0 JGADRN COC(=O)c1ccc(C(F)(F)N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164805259 721550600 /nfs/dbraw/zinc/55/06/00/721550600.db2.gz LJZHOJZERBHIEJ-QYZOEREBSA-N 0 0 466.916 3.330 20 0 JGADRN CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805626 721553105 /nfs/dbraw/zinc/55/31/05/721553105.db2.gz OAQJPJZXRSVIRW-SOLBZPMBSA-N 0 0 478.018 3.292 20 0 JGADRN CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807259 721560485 /nfs/dbraw/zinc/56/04/85/721560485.db2.gz SAMIQAYITQMSRO-RVKKMQEKSA-N 0 0 466.369 3.223 20 0 JGADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3Cc2ccccc2F)[C@H]2CCCO[C@H]12 ZINC001164808106 721563146 /nfs/dbraw/zinc/56/31/46/721563146.db2.gz UNRZFQXEFCWMPJ-ZDXQCDESSA-N 0 0 473.556 3.277 20 0 JGADRN Cc1cc2nc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc(N3CCOCC3)c2s1 ZINC001164804012 721563507 /nfs/dbraw/zinc/56/35/07/721563507.db2.gz KRCKQAGJKVKYJL-BHIFYINESA-N 0 0 480.638 3.100 20 0 JGADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164803086 721571920 /nfs/dbraw/zinc/57/19/20/721571920.db2.gz JIGXFMYGNGESSO-QWFCFKBJSA-N 0 0 460.916 3.486 20 0 JGADRN COCCN1C[C@H]2CN(C(F)(F)c3cnc(Cl)nc3-c3cn(C)c4ccccc34)C[C@H]2C1=O ZINC001164901926 721574499 /nfs/dbraw/zinc/57/44/99/721574499.db2.gz HJFKCKUMRILYDS-GOEBONIOSA-N 0 0 475.927 3.375 20 0 JGADRN COCCN1C[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nc4C(=O)OC)cc3)C[C@H]2C1=O ZINC001164901993 721574792 /nfs/dbraw/zinc/57/47/92/721574792.db2.gz IHNOQESRGUFBTL-MAUKXSAKSA-N 0 0 479.911 3.275 20 0 JGADRN COCCN1C[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)C[C@@H]2C1=O ZINC001164901155 721575546 /nfs/dbraw/zinc/57/55/46/721575546.db2.gz CQTHLSVSWGNLNW-GGPKGHCWSA-N 0 0 483.682 3.343 20 0 JGADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cnc(Cl)nc1OC ZINC001164902111 721578195 /nfs/dbraw/zinc/57/81/95/721578195.db2.gz BUVJNMQTPULSQG-QGZVFWFLSA-N 0 0 471.936 3.447 20 0 JGADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc(Cl)nnc1OC ZINC001164901809 721578941 /nfs/dbraw/zinc/57/89/41/721578941.db2.gz ATDNGKWXYKNUDV-QGZVFWFLSA-N 0 0 471.936 3.447 20 0 JGADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)[C@H]2CCCO[C@H]12 ZINC001164806817 721579197 /nfs/dbraw/zinc/57/91/97/721579197.db2.gz NAQBTBMEAJGRAT-VRUMLPLGSA-N 0 0 459.550 3.178 20 0 JGADRN O=C(COC[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(Cl)c2)C1)N1CCCC1 ZINC001164903294 721581061 /nfs/dbraw/zinc/58/10/61/721581061.db2.gz LCRCFEIWEWBDLW-AWEZNQCLSA-N 0 0 474.339 3.405 20 0 JGADRN O=C(COC[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)cc2Cl)C1)N1CCCC1 ZINC001164902480 721581477 /nfs/dbraw/zinc/58/14/77/721581477.db2.gz FIXRVNPAHFARKQ-AWEZNQCLSA-N 0 0 474.339 3.405 20 0 JGADRN O=C(COC[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc3ccsc3c(Cl)n2)C1)N1CCCC1 ZINC001164902836 721581615 /nfs/dbraw/zinc/58/16/15/721581615.db2.gz IYUGVFXKRNYGSW-CQSZACIVSA-N 0 0 496.971 3.362 20 0 JGADRN Cc1cc(Cl)ncc1C(F)(F)N1Cc2nccn2C[C@H](COCC(=O)N2CCCC2)C1 ZINC001164905060 721581953 /nfs/dbraw/zinc/58/19/53/721581953.db2.gz RWFUKWOXLIDQMI-INIZCTEOSA-N 0 0 453.921 3.060 20 0 JGADRN Cc1cc(Cl)nc(C(F)(F)N2Cc3nccn3C[C@H](COCC(=O)N3CCCC3)C2)c1 ZINC001164905625 721582054 /nfs/dbraw/zinc/58/20/54/721582054.db2.gz UNIWNZZXDSUSDV-INIZCTEOSA-N 0 0 453.921 3.060 20 0 JGADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)Nc3nncs3)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799288 721582390 /nfs/dbraw/zinc/58/23/90/721582390.db2.gz AQDXCLZCDGXAMT-GUDVDZBRSA-N 0 0 486.001 3.102 20 0 JGADRN CN(Cc1cccnc1)[C@@H]1CN([C@](F)(COc2cncc(Cl)n2)C(F)F)[C@H]2CCCO[C@H]12 ZINC001164811846 721582790 /nfs/dbraw/zinc/58/27/90/721582790.db2.gz YMDLWGVMJLVXQX-JRYVEOFUSA-N 0 0 471.911 3.199 20 0 JGADRN COc1ccc(OC)c(-c2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)c1 ZINC001164808090 721584616 /nfs/dbraw/zinc/58/46/16/721584616.db2.gz PVLHMJZLKVAFQG-JCYRPKCISA-N 0 0 461.566 3.424 20 0 JGADRN COc1ccc(-c2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)c(OC)c1OC ZINC001164805082 721586805 /nfs/dbraw/zinc/58/68/05/721586805.db2.gz KOVHRRGUCLKTIH-MCEYFSPLSA-N 0 0 491.592 3.433 20 0 JGADRN COc1cccc(CN2C[C@H]3CCN(C(F)(F)c4nc(C)cc(Cl)n4)CC[C@H]3S2(=O)=O)c1 ZINC001164801896 721592055 /nfs/dbraw/zinc/59/20/55/721592055.db2.gz GDBPSRBPYQQHKL-SJLPKXTDSA-N 0 0 486.972 3.423 20 0 JGADRN COc1cccc(CN2C[C@@H]3CCN([C@H](F)Oc4ccc(Cl)nc4)CC[C@@H]3S2(=O)=O)c1 ZINC001164804988 721592591 /nfs/dbraw/zinc/59/25/91/721592591.db2.gz JVGMAOUCFXNFHS-LRQRDZAKSA-N 0 0 469.966 3.302 20 0 JGADRN COc1cccc(CN2C[C@@H]3CCN([C@@H](F)Oc4ccc(Cl)nc4)CC[C@H]3S2(=O)=O)c1 ZINC001164804987 721592702 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457.600 3.310 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCSC(C)(C)C2)n1CC[C@@H](OC)C(F)(F)F ZINC001305800302 1069322744 /nfs/dbraw/zinc/32/27/44/1069322744.db2.gz LHGBRTXBRKJQFV-CQSZACIVSA-N 0 0 451.559 3.496 20 0 JGADRN CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1C)Oc1ccccc1F ZINC001305800467 1069322806 /nfs/dbraw/zinc/32/28/06/1069322806.db2.gz JCIJNNFXXUVHJY-LJQANCHMSA-N 0 0 469.565 3.189 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1CCOc1ccccc1C ZINC001305800960 1069323018 /nfs/dbraw/zinc/32/30/18/1069323018.db2.gz NWVGFGQFGMEZBT-KAGYGMCKSA-N 0 0 455.603 3.445 20 0 JGADRN CCC(CC)NC(=O)c1nnc(Nc2cnn(C)c2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC001305801262 1069323618 /nfs/dbraw/zinc/32/36/18/1069323618.db2.gz REJGCSKPQXEMOF-JOCHJYFZSA-N 0 0 480.617 3.056 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 ZINC001305801398 1069324032 /nfs/dbraw/zinc/32/40/32/1069324032.db2.gz BLABEIWXGAGFNH-HSALFYBXSA-N 0 0 484.645 3.345 20 0 JGADRN 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NUIHCPMALLKKNH-LBPRGKRZSA-N 0 0 455.968 3.114 20 0 JGADRN CCC[C@@H](C)C(=O)NCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001298296957 1064180583 /nfs/dbraw/zinc/18/05/83/1064180583.db2.gz JUOGLLNMNNSHTH-OAHLLOKOSA-N 0 0 451.976 3.423 20 0 JGADRN CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc([C@H]2CCCOC2)n1CCOCCCO ZINC001298299040 1064181629 /nfs/dbraw/zinc/18/16/29/1064181629.db2.gz IWBVBXXNSRQUAA-INIZCTEOSA-N 0 0 460.472 3.365 20 0 JGADRN Cc1ccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1S(=O)(=O)C1CCCC1 ZINC001298299082 1064181674 /nfs/dbraw/zinc/18/16/74/1064181674.db2.gz GVQKBBOVIDXHQJ-GOSISDBHSA-N 0 0 452.573 3.286 20 0 JGADRN O=C(Cn1cc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cn1)NC1CCCC1 ZINC001298300009 1064182141 /nfs/dbraw/zinc/18/21/41/1064182141.db2.gz MNKXTQZWNOEBBC-KRWDZBQOSA-N 0 0 459.388 3.409 20 0 JGADRN CCOC(Cn1cc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)nn1)OCC ZINC001298301687 1064182658 /nfs/dbraw/zinc/18/26/58/1064182658.db2.gz XJEUOKQZBLYSJM-INIZCTEOSA-N 0 0 451.365 3.145 20 0 JGADRN O=C(Cc1csc(N2CCOCC2)n1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001298301877 1064182670 /nfs/dbraw/zinc/18/26/70/1064182670.db2.gz ZZBJQJZKEVSZOQ-INIZCTEOSA-N 0 0 450.402 3.376 20 0 JGADRN CN(Cc1ccc(F)c(Cl)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 ZINC001298303999 1064183832 /nfs/dbraw/zinc/18/38/32/1064183832.db2.gz RVPJXYKYYUNSJO-OXQOHEQNSA-N 0 0 498.024 3.396 20 0 JGADRN CN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001298304501 1064184437 /nfs/dbraw/zinc/18/44/37/1064184437.db2.gz HDILDRZSNVEBBJ-QGZVFWFLSA-N 0 0 478.450 3.389 20 0 JGADRN CN(Cc1ccc(F)c(F)c1)c1nnc(Cc2ccncc2)n1CC1CCS(=O)(=O)CC1 ZINC001298304410 1064184457 /nfs/dbraw/zinc/18/44/57/1064184457.db2.gz FRRVDPXPRGTRBV-UHFFFAOYSA-N 0 0 461.538 3.003 20 0 JGADRN CN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001298305868 1064185551 /nfs/dbraw/zinc/18/55/51/1064185551.db2.gz ZCZKYGQSNZGAGY-HXUWFJFHSA-N 0 0 460.504 3.472 20 0 JGADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC001298307582 1064186534 /nfs/dbraw/zinc/18/65/34/1064186534.db2.gz JEZBKJPLAKGHEH-JJRVBVJISA-N 0 0 453.967 3.371 20 0 JGADRN CN(Cc1ccc(F)cc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CSCCS1 ZINC001298309492 1064186955 /nfs/dbraw/zinc/18/69/55/1064186955.db2.gz NIIJJBKEHLXTSG-INIZCTEOSA-N 0 0 453.584 3.277 20 0 JGADRN CN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C ZINC001298312253 1064187922 /nfs/dbraw/zinc/18/79/22/1064187922.db2.gz HAZQTVJKBWXDNK-SFHVURJKSA-N 0 0 488.543 3.442 20 0 JGADRN CN(Cc1ccc(F)cc1F)c1nnc(CC2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001298313911 1064188994 /nfs/dbraw/zinc/18/89/94/1064188994.db2.gz WIXSZZVYPXXYMZ-KRWDZBQOSA-N 0 0 467.586 3.207 20 0 JGADRN CN(Cc1ccc(OC(F)F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001298314521 1064189505 /nfs/dbraw/zinc/18/95/05/1064189505.db2.gz KYFOMTQDQTZBMC-MSOLQXFVSA-N 0 0 484.569 3.235 20 0 JGADRN CN(C(=O)c1cccn2c(I)cnc12)[C@H](CO)c1ccc(Cl)cc1 ZINC001298315245 1064190142 /nfs/dbraw/zinc/19/01/42/1064190142.db2.gz XERYKPDJFSXWMH-CQSZACIVSA-N 0 0 455.683 3.398 20 0 JGADRN CN(Cc1ccc(OC(F)F)cc1)c1nnc(-c2ccc[nH]2)n1CC1CCS(=O)(=O)CC1 ZINC001298315344 1064190557 /nfs/dbraw/zinc/19/05/57/1064190557.db2.gz UOFJAXRWRAPWOB-UHFFFAOYSA-N 0 0 465.526 3.336 20 0 JGADRN CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCC1(F)CCC1 ZINC001298317079 1064191930 /nfs/dbraw/zinc/19/19/30/1064191930.db2.gz LHICMEFKAZDHOH-UHFFFAOYSA-N 0 0 486.573 3.248 20 0 JGADRN CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(-c2cccn2C)n1CC1(O)CCCCCC1 ZINC001298317274 1064192585 /nfs/dbraw/zinc/19/25/85/1064192585.db2.gz OCYMLBCRSADHIE-UHFFFAOYSA-N 0 0 471.627 3.409 20 0 JGADRN COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC001298317965 1064193569 /nfs/dbraw/zinc/19/35/69/1064193569.db2.gz GTHZTWSEWNKENY-GOSISDBHSA-N 0 0 457.596 3.442 20 0 JGADRN O=C(N[C@H](c1nccs1)C(F)(F)F)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC001298317873 1064193645 /nfs/dbraw/zinc/19/36/45/1064193645.db2.gz CUCVYNRFGKUGAV-SOUVJXGZSA-N 0 0 450.442 3.455 20 0 JGADRN CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(Cc2ccccn2)n1CC1(C)CCOCC1 ZINC001298318618 1064194032 /nfs/dbraw/zinc/19/40/32/1064194032.db2.gz AFCRAPFWDKEJFE-JGCGQSQUSA-N 0 0 453.612 3.454 20 0 JGADRN CN(Cc1ccc([S@](C)=O)cc1)c1nnc(-c2ccc[nH]2)n1CCC(=O)N1CCCCCC1 ZINC001298318695 1064194049 /nfs/dbraw/zinc/19/40/49/1064194049.db2.gz BAZDIGDSSPTENC-XIFFEERXSA-N 0 0 468.627 3.440 20 0 JGADRN CN(Cc1ccc([S@](C)=O)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCCC1(C)C ZINC001298318932 1064194389 /nfs/dbraw/zinc/19/43/89/1064194389.db2.gz FGWTZLWUYOBNFB-UDNBHOFDSA-N 0 0 454.600 3.050 20 0 JGADRN CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(CC2CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001298319150 1064195141 /nfs/dbraw/zinc/19/51/41/1064195141.db2.gz IINIMRSAPIIGSH-UHFFFAOYSA-N 0 0 477.537 3.315 20 0 JGADRN CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CC(F)(F)CO1 ZINC001298319551 1064195709 /nfs/dbraw/zinc/19/57/09/1064195709.db2.gz JYISMVWEKRYXRK-MCGGYZEXSA-N 0 0 454.543 3.318 20 0 JGADRN CN(Cc1ccc([S@](C)=O)cc1)c1nnc(C2CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001298321070 1064196230 /nfs/dbraw/zinc/19/62/30/1064196230.db2.gz SGIXNCHXVYWJNQ-YTTGMZPUSA-N 0 0 459.616 3.396 20 0 JGADRN CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(-c2cccn2C)n1CCCc1cnn(C)c1 ZINC001298320434 1064196233 /nfs/dbraw/zinc/19/62/33/1064196233.db2.gz PXVCKNPEULRMQQ-JGCGQSQUSA-N 0 0 451.600 3.024 20 0 JGADRN CN(Cc1ccc([S@](C)=O)cc1)c1nnc(-c2cccn2C)n1CCCc1cnn(C)c1 ZINC001298320435 1064196264 /nfs/dbraw/zinc/19/62/64/1064196264.db2.gz PXVCKNPEULRMQQ-YTTGMZPUSA-N 0 0 451.600 3.024 20 0 JGADRN CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(Cc2cccnc2)n1CC(=O)NC1CCCCC1 ZINC001298321124 1064196801 /nfs/dbraw/zinc/19/68/01/1064196801.db2.gz STEYDIFFYJKFKW-UUWRZZSWSA-N 0 0 480.638 3.087 20 0 JGADRN CN(Cc1ccc([S@@](C)=O)cc1)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(OC(F)F)c1 ZINC001298321248 1064196900 /nfs/dbraw/zinc/19/69/00/1064196900.db2.gz ULTCRZVVVOOCLS-UAIZEJDJSA-N 0 0 477.537 3.201 20 0 JGADRN CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@H]2CCCCO2)n1CC[S@](=O)C(C)(C)C ZINC001298322134 1064197981 /nfs/dbraw/zinc/19/79/81/1064197981.db2.gz YYTAFVBEBNQDNC-GOFQOALMSA-N 0 0 466.673 3.441 20 0 JGADRN CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(CN2CCCC2=O)n1CC1CCCCC1 ZINC001298322492 1064198466 /nfs/dbraw/zinc/19/84/66/1064198466.db2.gz ZNBKIYSEKAGPCY-UHFFFAOYSA-N 0 0 459.616 3.021 20 0 JGADRN CN(Cc1cccc(Br)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 ZINC001298324909 1064200017 /nfs/dbraw/zinc/20/00/17/1064200017.db2.gz DJERHOHDZFRQPN-SFHVURJKSA-N 0 0 496.475 3.065 20 0 JGADRN CN(Cc1cccc(Br)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001298325369 1064200929 /nfs/dbraw/zinc/20/09/29/1064200929.db2.gz IVCDWJLQUVUBFX-SJLPKXTDSA-N 0 0 483.432 3.353 20 0 JGADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC001298327836 1064203247 /nfs/dbraw/zinc/20/32/47/1064203247.db2.gz IIBUJMQIXHLJDO-JOCHJYFZSA-N 0 0 450.536 3.153 20 0 JGADRN CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001298327943 1064203310 /nfs/dbraw/zinc/20/33/10/1064203310.db2.gz ADVPDEWDQOPCQN-SJLPKXTDSA-N 0 0 487.548 3.066 20 0 JGADRN CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C ZINC001298328283 1064203704 /nfs/dbraw/zinc/20/37/04/1064203704.db2.gz HLPFUFLBJGJJFM-MRXNPFEDSA-N 0 0 487.548 3.098 20 0 JGADRN CN(Cc1cccc(C(N)=O)c1)c1nnc(-c2ccc(Cl)nc2)n1CCCOC1CCOCC1 ZINC001298330172 1064205601 /nfs/dbraw/zinc/20/56/01/1064205601.db2.gz FNQDUGCLFVNRHB-UHFFFAOYSA-N 0 0 484.988 3.315 20 0 JGADRN CN(Cc1cccc(C(N)=O)c1)c1nnc([C@H]2CCCO2)n1Cc1cccc(C(F)(F)F)n1 ZINC001298330271 1064205727 /nfs/dbraw/zinc/20/57/27/1064205727.db2.gz AFKPTMJJFLXRHQ-QGZVFWFLSA-N 0 0 460.460 3.327 20 0 JGADRN CN(Cc1cccc(Cl)c1)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C ZINC001298331323 1064206072 /nfs/dbraw/zinc/20/60/72/1064206072.db2.gz LSGFTINGTPNOBI-UHFFFAOYSA-N 0 0 472.977 3.458 20 0 JGADRN CN(Cc1cccc(C(N)=O)c1)c1nnc(-c2cnn(C)c2)n1Cc1cc(Br)cs1 ZINC001298331787 1064206180 /nfs/dbraw/zinc/20/61/80/1064206180.db2.gz NXDBNXFGKGSNQX-UHFFFAOYSA-N 0 0 486.399 3.286 20 0 JGADRN CN(Cc1cccc(C(N)=O)c1)c1nnc(-c2cccn2C)n1Cc1cccc(Br)n1 ZINC001298333368 1064206465 /nfs/dbraw/zinc/20/64/65/1064206465.db2.gz SQNUARQBKQFYEW-UHFFFAOYSA-N 0 0 480.370 3.225 20 0 JGADRN CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCCCC1=O ZINC001298332172 1064206537 /nfs/dbraw/zinc/20/65/37/1064206537.db2.gz PDNCRCTWMWYFAB-IBGZPJMESA-N 0 0 458.994 3.312 20 0 JGADRN CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001298332244 1064206554 /nfs/dbraw/zinc/20/65/54/1064206554.db2.gz PXIHGVIQCZLAOE-HKUYNNGSSA-N 0 0 468.023 3.091 20 0 JGADRN CN(Cc1cccc(C(N)=O)c1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC1 ZINC001298333294 1064206959 /nfs/dbraw/zinc/20/69/59/1064206959.db2.gz WXSSWMUPIGXDNB-KDURUIRLSA-N 0 0 454.575 3.194 20 0 JGADRN CN(Cc1cccc(Cl)c1)c1nnc(Cc2ccncc2)n1CC(=O)NCC(F)(F)F 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Cc1cc(C)n(Cc2nnc(N3CCC(C(N)=O)CC3)n2CCSCc2ccc(C)cc2)n1 ZINC001492211296 1065323482 /nfs/dbraw/zinc/32/34/82/1065323482.db2.gz BZJCIPVCWHTREV-UHFFFAOYSA-N 0 0 467.643 3.083 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2CC2(CS(C)(=O)=O)CC2)c1 ZINC001492211398 1065324280 /nfs/dbraw/zinc/32/42/80/1065324280.db2.gz MVCUGIWXTXFFQF-UHFFFAOYSA-N 0 0 457.575 3.173 20 0 JGADRN Cc1ccc(CSCCn2c(-c3cccnc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC001492213020 1065325619 /nfs/dbraw/zinc/32/56/19/1065325619.db2.gz GNGNGNWPSCYZNM-SFHVURJKSA-N 0 0 459.641 3.451 20 0 JGADRN Cc1ccc(CSCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001492213175 1065325673 /nfs/dbraw/zinc/32/56/73/1065325673.db2.gz ICNCEQHXZDLFDJ-JBACZVJFSA-N 0 0 493.699 3.135 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCSCc2ccc(C)cc2)n1 ZINC001492215197 1065326412 /nfs/dbraw/zinc/32/64/12/1065326412.db2.gz QGLXNSFFGHHHMT-HXUWFJFHSA-N 0 0 467.643 3.048 20 0 JGADRN Cc1ccc(CSCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@H](C)C2)cc1 ZINC001492215288 1065326420 /nfs/dbraw/zinc/32/64/20/1065326420.db2.gz SAQWSEJZWXUJOK-KURKYZTESA-N 0 0 483.729 3.460 20 0 JGADRN Cc1ccc(CSCCn2c(-c3cccn3C)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 ZINC001492215206 1065326472 /nfs/dbraw/zinc/32/64/72/1065326472.db2.gz QKXGZFSLJCITRJ-GOSISDBHSA-N 0 0 461.657 3.395 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(F)(F)F)n2)cc1 ZINC001492216506 1065327024 /nfs/dbraw/zinc/32/70/24/1065327024.db2.gz DNLAOYUVHODSJX-CQSZACIVSA-N 0 0 468.505 3.427 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)(F)C3)n2CCCS(C)(=O)=O)cc1C ZINC001492238271 1065327120 /nfs/dbraw/zinc/32/71/20/1065327120.db2.gz OSLOMJDMWCPCJW-UHFFFAOYSA-N 0 0 469.558 3.063 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(C)ccc3F)n2C[C@H]2CCCCS2(=O)=O)n1 ZINC001492218381 1065328414 /nfs/dbraw/zinc/32/84/14/1065328414.db2.gz ZISRPTKXSRRBRM-HXUWFJFHSA-N 0 0 474.606 3.191 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cccs3)n2C[C@]2(C)CN(C)C2=O)cc1C ZINC001492238326 1065328540 /nfs/dbraw/zinc/32/85/40/1065328540.db2.gz PMEHNGKCGBLQMR-QHCPKHFHSA-N 0 0 452.584 3.323 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC(F)(F)C2)cc1 ZINC001492223823 1065329154 /nfs/dbraw/zinc/32/91/54/1065329154.db2.gz DCYIKMPZRYSFTN-SJLPKXTDSA-N 0 0 469.558 3.123 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC001492228066 1065330647 /nfs/dbraw/zinc/33/06/47/1065330647.db2.gz RMBBWKIEARXGLM-WOJBJXKFSA-N 0 0 454.619 3.255 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001492228065 1065330669 /nfs/dbraw/zinc/33/06/69/1065330669.db2.gz RMBBWKIEARXGLM-WKCHPHFGSA-N 0 0 454.619 3.255 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)c3cccs3)n2CCS(C)(=O)=O)cc1C ZINC001492232471 1065332996 /nfs/dbraw/zinc/33/29/96/1065332996.db2.gz CJIFXPLOBZGXFI-MRXNPFEDSA-N 0 0 461.613 3.451 20 0 JGADRN 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YJFYRLYYDAOSQZ-WJOKGBTCSA-N 0 0 451.543 3.294 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC([C@@H]4CC4(F)F)CC3)n2CCC(=O)N(C)C)cc1C ZINC001492251260 1065352460 /nfs/dbraw/zinc/35/24/60/1065352460.db2.gz ZAIPZGQLLIYTDJ-IBGZPJMESA-N 0 0 474.556 3.497 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001545691703 1065352471 /nfs/dbraw/zinc/35/24/71/1065352471.db2.gz GWZVGNLCBGTRMO-IRXDYDNUSA-N 0 0 459.591 3.271 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(CCC(N)=O)CC3)n2CCc2ccccn2)cc1C ZINC001492251315 1065352578 /nfs/dbraw/zinc/35/25/78/1065352578.db2.gz ZGHLIIMNRXNXAS-UHFFFAOYSA-N 0 0 475.597 3.267 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC2CCOCC2)cc1C ZINC001492253302 1065353409 /nfs/dbraw/zinc/35/34/09/1065353409.db2.gz DRSWHESCPHZJDI-FQEVSTJZSA-N 0 0 468.602 3.056 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCCOC(F)(F)F)cc1C ZINC001492254590 1065353833 /nfs/dbraw/zinc/35/38/33/1065353833.db2.gz LWWHYTNFHNUWES-JKSUJKDBSA-N 0 0 483.447 3.188 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001492254919 1065355023 /nfs/dbraw/zinc/35/50/23/1065355023.db2.gz PQBINYRNNOBYFF-VAMGGRTRSA-N 0 0 482.629 3.443 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC2CCOCC2)cc1C ZINC001492254744 1065355100 /nfs/dbraw/zinc/35/51/00/1065355100.db2.gz NPFWGNLHGPDZPI-HXUWFJFHSA-N 0 0 468.602 3.056 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(OC(C)C)CC3)n2CC2(O)CCOCC2)cc1C ZINC001492255846 1065356106 /nfs/dbraw/zinc/35/61/06/1065356106.db2.gz YSVBCILIOOJXEV-UHFFFAOYSA-N 0 0 471.602 3.083 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2Cc2ccoc2)cc1C ZINC001492262789 1065356181 /nfs/dbraw/zinc/35/61/81/1065356181.db2.gz AFROTMWJEBRXBI-UHFFFAOYSA-N 0 0 464.570 3.483 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C1CCCCC1 ZINC001545691722 1065356337 /nfs/dbraw/zinc/35/63/37/1065356337.db2.gz HLQUSVCXIKUVCX-SFHVURJKSA-N 0 0 465.606 3.385 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCCCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC001492264029 1065356832 /nfs/dbraw/zinc/35/68/32/1065356832.db2.gz CUPVECDPTUZTFA-HXUWFJFHSA-N 0 0 488.658 3.199 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](n4cncn4)C3)n2CCCOC(C)C)cc1C ZINC001492265399 1065357456 /nfs/dbraw/zinc/35/74/56/1065357456.db2.gz HOHAQMZURZXOEC-NRFANRHFSA-N 0 0 466.590 3.395 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCCOC(C)C)cc1C ZINC001492265402 1065357657 /nfs/dbraw/zinc/35/76/57/1065357657.db2.gz HOHAQMZURZXOEC-OAQYLSRUSA-N 0 0 466.590 3.395 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2CCCOC2)cc1C ZINC001492265696 1065358043 /nfs/dbraw/zinc/35/80/43/1065358043.db2.gz CLULZEPHFHGGIN-SFHVURJKSA-N 0 0 480.535 3.258 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CCCOC2)cc1C ZINC001492265695 1065358289 /nfs/dbraw/zinc/35/82/89/1065358289.db2.gz CLULZEPHFHGGIN-GOSISDBHSA-N 0 0 480.535 3.258 20 0 JGADRN Cc1ccoc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001492265905 1065359014 /nfs/dbraw/zinc/35/90/14/1065359014.db2.gz HAHQWQSXWKRBMN-UHFFFAOYSA-N 0 0 458.513 3.484 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCSC2)cc1C ZINC001492265987 1065360396 /nfs/dbraw/zinc/36/03/96/1065360396.db2.gz MAEYYPRZTRUMEW-ICSRJNTNSA-N 0 0 491.683 3.304 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCOC(C)C)cc1C ZINC001492266125 1065360905 /nfs/dbraw/zinc/36/09/05/1065360905.db2.gz JYKUMDFEWVWXDC-UHFFFAOYSA-N 0 0 485.633 3.202 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC(F)(F)F)cc1C ZINC001492266345 1065361559 /nfs/dbraw/zinc/36/15/59/1065361559.db2.gz REOXQVLYLRFQBL-UHFFFAOYSA-N 0 0 466.508 3.404 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@H]2CC=CCO2)cc1C ZINC001492266416 1065361577 /nfs/dbraw/zinc/36/15/77/1065361577.db2.gz SAMXSWIIISKFMK-JTHBVZDNSA-N 0 0 494.640 3.481 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](c2ccsc2)N(C)C)cc1C ZINC001492268144 1065364322 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/nfs/dbraw/zinc/36/84/95/1065368495.db2.gz XEHCXFPKBLODTK-UYAOXDASSA-N 0 0 482.629 3.313 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCSCC3)n2CC(=O)NC2CCCCC2)cc1C ZINC001492274664 1065368948 /nfs/dbraw/zinc/36/89/48/1065368948.db2.gz FGSOOFWTDVBDSP-UHFFFAOYSA-N 0 0 456.616 3.149 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCSCC3)n2Cc2nccc(C(F)F)n2)cc1C ZINC001492274669 1065368966 /nfs/dbraw/zinc/36/89/66/1065368966.db2.gz FJLUDLLIEOBZDA-UHFFFAOYSA-N 0 0 459.526 3.476 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2[C@@H]2C[C@H]2CF)cc1 ZINC001492289161 1065368982 /nfs/dbraw/zinc/36/89/82/1065368982.db2.gz VHZODEMOJQYFQU-DOTOQJQBSA-N 0 0 456.547 3.183 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCSC[C@@H]3C)n2CCCNC(=O)C(C)C)cc1C ZINC001492276687 1065371264 /nfs/dbraw/zinc/37/12/64/1065371264.db2.gz QKYVTWVFSXHVAS-SFHVURJKSA-N 0 0 458.632 3.251 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCCOCC2CCOCC2)cc1C ZINC001492276416 1065371274 /nfs/dbraw/zinc/37/12/74/1065371274.db2.gz PGWSIQYHSXOFSI-XXBNENTESA-N 0 0 485.629 3.188 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492276812 1065371872 /nfs/dbraw/zinc/37/18/72/1065371872.db2.gz STRIOGYGBLKKRN-NZSAHSFTSA-N 0 0 498.525 3.205 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)N3CCOCC3)C2)nc1 ZINC001492277184 1065371914 /nfs/dbraw/zinc/37/19/14/1065371914.db2.gz VDPPJVKJIYAXHU-YADHBBJMSA-N 0 0 497.688 3.491 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)[C@H]3C)n2CC(=O)NCC2CC2)cc1C ZINC001492277198 1065372007 /nfs/dbraw/zinc/37/20/07/1065372007.db2.gz VIVNFAZNKHEKBK-IAGOWNOFSA-N 0 0 456.616 3.004 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(C4CCC4)n3CCC(=O)NC(C)C)CC2)nc1 ZINC001492279902 1065372714 /nfs/dbraw/zinc/37/27/14/1065372714.db2.gz BYCYWJJSRHNGRR-UHFFFAOYSA-N 0 0 453.591 3.019 20 0 JGADRN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3cn[nH]c3)C2)nc1 ZINC001492280600 1065373370 /nfs/dbraw/zinc/37/33/70/1065373370.db2.gz IRNRNTYLRDLPOI-IBGZPJMESA-N 0 0 450.591 3.391 20 0 JGADRN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CC(C)(C)O)C2)nc1 ZINC001492281222 1065373861 /nfs/dbraw/zinc/37/38/61/1065373861.db2.gz OUUYLCOEIUTZMM-IBGZPJMESA-N 0 0 466.561 3.337 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)(C)C)n3CC3([S@](C)=O)CCC3)CC2)nc1 ZINC001492281286 1065374505 /nfs/dbraw/zinc/37/45/05/1065374505.db2.gz QETLZHRYLJHNQS-XIFFEERXSA-N 0 0 472.659 3.435 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@H]4CCCCO4)n3C[C@](C)(O)C(C)C)C2)nc1 ZINC001492281782 1065374644 /nfs/dbraw/zinc/37/46/44/1065374644.db2.gz TYNXPGNQWDEWKK-FHAGJXEFSA-N 0 0 470.618 3.485 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4ccc[nH]4)n3CCS(=O)(=O)C(C)(C)C)C2)nc1 ZINC001492282628 1065375916 /nfs/dbraw/zinc/37/59/16/1065375916.db2.gz ZPAPEKKZNMEKHB-GOSISDBHSA-N 0 0 499.641 3.045 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCO2)cc1 ZINC001492283403 1065376540 /nfs/dbraw/zinc/37/65/40/1065376540.db2.gz HVJDKNQXLBZECF-OFVILXPXSA-N 0 0 471.602 3.271 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(=O)NC2CCCCC2)cc1 ZINC001492283664 1065376565 /nfs/dbraw/zinc/37/65/65/1065376565.db2.gz JYLCASSLVGEHRK-UHFFFAOYSA-N 0 0 463.586 3.116 20 0 JGADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC2(C(N)=O)CCCC2)o1 ZINC001492283004 1065376587 /nfs/dbraw/zinc/37/65/87/1065376587.db2.gz CFBCTYGLSMESAH-UHFFFAOYSA-N 0 0 450.543 3.276 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@H](C(C)C)N3CCOCC3)CC2)nc1 ZINC001492283889 1065377012 /nfs/dbraw/zinc/37/70/12/1065377012.db2.gz NHMSGULMSWRZHB-HSZRJFAPSA-N 0 0 497.688 3.392 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC2(C)C)cc1 ZINC001492284507 1065377735 /nfs/dbraw/zinc/37/77/35/1065377735.db2.gz XPWIPDKMUXIIAW-ZWKOTPCHSA-N 0 0 476.647 3.098 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC2COC(C)(C)OC2)cc1 ZINC001492289234 1065377746 /nfs/dbraw/zinc/37/77/46/1065377746.db2.gz XMUYCWVKBRUGJH-SFHVURJKSA-N 0 0 459.591 3.028 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CNC(=O)Nc4ccc(C)cc4)C3)n2CC(C)(C)O)n1 ZINC001492289227 1065377761 /nfs/dbraw/zinc/37/77/61/1065377761.db2.gz XKHCVJBMTQQIDV-NRFANRHFSA-N 0 0 494.644 3.257 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2cccnc2OCC(F)F)cc1 ZINC001492286311 1065378467 /nfs/dbraw/zinc/37/84/67/1065378467.db2.gz BOAKUQKVOZIXHD-SFHVURJKSA-N 0 0 486.523 3.253 20 0 JGADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@@]3(C)CN(C)C3=O)C2)cc1 ZINC001492287086 1065380066 /nfs/dbraw/zinc/38/00/66/1065380066.db2.gz AORVZXVPACOGKE-RXFWQSSRSA-N 0 0 481.645 3.301 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492287186 1065380558 /nfs/dbraw/zinc/38/05/58/1065380558.db2.gz OPVLMPHFIGYTHX-MOPGFXCFSA-N 0 0 486.617 3.326 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC001492287350 1065380567 /nfs/dbraw/zinc/38/05/67/1065380567.db2.gz CILNNZFUFQKOIQ-NHCUHLMSSA-N 0 0 484.645 3.181 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@](C)(O)c2cccs2)n1 ZINC001492287825 1065381225 /nfs/dbraw/zinc/38/12/25/1065381225.db2.gz ILUWGIDRJVWOHV-VWLOTQADSA-N 0 0 493.637 3.492 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001492287959 1065381874 /nfs/dbraw/zinc/38/18/74/1065381874.db2.gz JBGFRSPFMZQXOZ-KRWDZBQOSA-N 0 0 481.519 3.184 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001492288508 1065383255 /nfs/dbraw/zinc/38/32/55/1065383255.db2.gz YKQCGRPKOKCKNQ-UHFFFAOYSA-N 0 0 458.570 3.046 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccon3)n2CC2(S(C)(=O)=O)CCCC2)cc1C ZINC001492238628 1065383946 /nfs/dbraw/zinc/38/39/46/1065383946.db2.gz URWZCBZAUFDEDZ-UHFFFAOYSA-N 0 0 486.598 3.129 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCOC3)n2CCC(=O)N2CCCCC2)cc1C ZINC001492239948 1065384670 /nfs/dbraw/zinc/38/46/70/1065384670.db2.gz AHWGKMIHLAEZAH-HXUWFJFHSA-N 0 0 468.602 3.023 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(N3CCN([C@@H](C)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001492301056 1065384764 /nfs/dbraw/zinc/38/47/64/1065384764.db2.gz AFGHSRUMWKVAKZ-PMACEKPBSA-N 0 0 468.646 3.141 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(C)C)C2)c1 ZINC001492301964 1065384799 /nfs/dbraw/zinc/38/47/99/1065384799.db2.gz CFQVQTXSXYMOFW-CVEARBPZSA-N 0 0 471.574 3.329 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3nccs3)n2CC[C@@H]2COCCO2)cc1C ZINC001492239249 1065384843 /nfs/dbraw/zinc/38/48/43/1065384843.db2.gz ZWIWYXQZUNTFKO-GOSISDBHSA-N 0 0 456.572 3.046 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCc3nccs3)CC2)cc1 ZINC001492302690 1065386042 /nfs/dbraw/zinc/38/60/42/1065386042.db2.gz KUITVDAIJNHNKA-UHFFFAOYSA-N 0 0 454.600 3.472 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C)[C@@H]2C)c1 ZINC001492303047 1065386668 /nfs/dbraw/zinc/38/66/68/1065386668.db2.gz OZCOUYIDMBMKBA-HRCADAONSA-N 0 0 486.610 3.469 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C3CCC2(C)CC3)c1 ZINC001492303909 1065387384 /nfs/dbraw/zinc/38/73/84/1065387384.db2.gz LCVXKSJALBZZKS-DOOHWEDMSA-N 0 0 469.558 3.368 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)c1 ZINC001492303902 1065387417 /nfs/dbraw/zinc/38/74/17/1065387417.db2.gz UIJJZHLOXRNYIG-ROUUACIJSA-N 0 0 477.556 3.433 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001492303991 1065387444 /nfs/dbraw/zinc/38/74/44/1065387444.db2.gz VONUOPOTMHVZAU-SJLPKXTDSA-N 0 0 484.569 3.144 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cnccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC001492304473 1065388019 /nfs/dbraw/zinc/38/80/19/1065388019.db2.gz YPNJYHLPHBYORX-KRWDZBQOSA-N 0 0 492.552 3.097 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC001492307807 1065388730 /nfs/dbraw/zinc/38/87/30/1065388730.db2.gz WDCAQBFFPSXHQQ-HUUCEWRRSA-N 0 0 467.542 3.489 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492308176 1065389372 /nfs/dbraw/zinc/38/93/72/1065389372.db2.gz YUBDIMBQPTVQMH-IYBDPMFKSA-N 0 0 472.496 3.497 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CC=CCO2)cc1C ZINC001492310531 1065390075 /nfs/dbraw/zinc/39/00/75/1065390075.db2.gz FXGIHHPKETVRJW-DYXWJJEUSA-N 0 0 462.616 3.077 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CCc2cccnc2)cc1C ZINC001492311522 1065390619 /nfs/dbraw/zinc/39/06/19/1065390619.db2.gz NADZUENTNCCPGG-VQTJNVASSA-N 0 0 471.627 3.369 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@](C)(O)c2cccs2)cc1C ZINC001492311562 1065390627 /nfs/dbraw/zinc/39/06/27/1065390627.db2.gz NIBOVDXCFGMWGK-JPYJTQIMSA-N 0 0 492.667 3.312 20 0 JGADRN Cc1nc(C)c(Cn2c(COc3ccc(C)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)s1 ZINC001492313735 1065391808 /nfs/dbraw/zinc/39/18/08/1065391808.db2.gz XULOUPSXIRCFTO-HNNXBMFYSA-N 0 0 463.629 3.156 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 ZINC001492316653 1065392872 /nfs/dbraw/zinc/39/28/72/1065392872.db2.gz KBRNYBDWKHNTEQ-WOJBJXKFSA-N 0 0 476.643 3.120 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC2=CCCCC2)cc1 ZINC001492317699 1065393538 /nfs/dbraw/zinc/39/35/38/1065393538.db2.gz PAWSJGLDFIUBJP-UHFFFAOYSA-N 0 0 453.587 3.351 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO[C@@H]2C(C)C)cc1 ZINC001492317398 1065393558 /nfs/dbraw/zinc/39/35/58/1065393558.db2.gz MMVKVMDREJFWSD-TXTKFYIRSA-N 0 0 476.643 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO[C@H]2C(C)C)cc1 ZINC001492317402 1065393580 /nfs/dbraw/zinc/39/35/80/1065393580.db2.gz MMVKVMDREJFWSD-VIZSFHNOSA-N 0 0 476.643 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCC=CO2)cc1C ZINC001492317698 1065393610 /nfs/dbraw/zinc/39/36/10/1065393610.db2.gz OZPODOGQPKZCFX-QFIPXVFZSA-N 0 0 489.642 3.027 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccs2)cc1C ZINC001492318014 1065393985 /nfs/dbraw/zinc/39/39/85/1065393985.db2.gz SFPMFUOXWRESQJ-FDDCHVKYSA-N 0 0 490.651 3.066 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2Cc2ccn(C)n2)cc1C ZINC001492321131 1065395279 /nfs/dbraw/zinc/39/52/79/1065395279.db2.gz XHTVMGOVZHWOTC-UHFFFAOYSA-N 0 0 481.645 3.050 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2Cc2cc(C(C)(C)C)no2)cc1 ZINC001492320717 1065395414 /nfs/dbraw/zinc/39/54/14/1065395414.db2.gz QBDMDKBHXHGLNI-UHFFFAOYSA-N 0 0 454.575 3.460 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001492321194 1065395858 /nfs/dbraw/zinc/39/58/58/1065395858.db2.gz YLRDQVCLAJVHPQ-KRWDZBQOSA-N 0 0 477.594 3.404 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCC(=O)N(C)C ZINC001492323233 1065395979 /nfs/dbraw/zinc/39/59/79/1065395979.db2.gz KWDLPESVXZXUTQ-UHFFFAOYSA-N 0 0 467.618 3.329 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@H](C(C)C)N2CCOCC2)cc1C ZINC001492323724 1065396889 /nfs/dbraw/zinc/39/68/89/1065396889.db2.gz WKPHMOPAVZDKAF-XMMPIXPASA-N 0 0 481.645 3.201 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(N2CCN(CC)C2=O)CC1 ZINC001545691852 1065398853 /nfs/dbraw/zinc/39/88/53/1065398853.db2.gz JORKOTPSBBKGSG-SFHVURJKSA-N 0 0 485.608 3.115 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CCC2(O)CCOCC2)cc1C ZINC001492329220 1065399964 /nfs/dbraw/zinc/39/99/64/1065399964.db2.gz DIUXKRWEVHXUNH-QFIPXVFZSA-N 0 0 458.603 3.411 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492330175 1065400955 /nfs/dbraw/zinc/40/09/55/1065400955.db2.gz QSKJLGZLNBHYSL-UHFFFAOYSA-N 0 0 486.661 3.017 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3cnccn3)n2CCn2cc(Br)cn2)cc1 ZINC001492329995 1065401062 /nfs/dbraw/zinc/40/10/62/1065401062.db2.gz PAKNDQOBPGOUKG-UHFFFAOYSA-N 0 0 497.401 3.294 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492330537 1065401080 /nfs/dbraw/zinc/40/10/80/1065401080.db2.gz NKMGZAQPAFIOGL-KRWDZBQOSA-N 0 0 469.508 3.015 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2Cc2ncnn2C(C)(C)C)cc1C ZINC001492336247 1065402651 /nfs/dbraw/zinc/40/26/51/1065402651.db2.gz BPVTYSMAUFNJSA-HXUWFJFHSA-N 0 0 453.591 3.484 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCN2CCOC[C@@H]2C)cc1C ZINC001492336313 1065402660 /nfs/dbraw/zinc/40/26/60/1065402660.db2.gz ADWNOHSBKVJTIP-IRFCIJBXSA-N 0 0 497.562 3.351 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CCN2CCOC[C@H]2C)cc1C ZINC001492332356 1065402806 /nfs/dbraw/zinc/40/28/06/1065402806.db2.gz YFDHERZFTSQWIZ-FYYLOGMGSA-N 0 0 457.619 3.200 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@](C)(O)c2cccs2)cc1C ZINC001492336519 1065403535 /nfs/dbraw/zinc/40/35/35/1065403535.db2.gz GICPGZBGMQSJKQ-MHECFPHRSA-N 0 0 469.611 3.110 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[C@@H]2CCO[C@@H](C)C2)cc1C ZINC001492337206 1065404273 /nfs/dbraw/zinc/40/42/73/1065404273.db2.gz GVDAMGSWKRZZCM-PCCBWWKXSA-N 0 0 455.603 3.346 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(OC(C)C)nc2)cc1 ZINC001492336933 1065404538 /nfs/dbraw/zinc/40/45/38/1065404538.db2.gz IMESTEINPRLWPX-LJQANCHMSA-N 0 0 464.570 3.063 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@H]2CCCCS2(=O)=O)cc1C ZINC001492337553 1065405443 /nfs/dbraw/zinc/40/54/43/1065405443.db2.gz MDOHGMZJDHHGBQ-NHCUHLMSSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@@H](C)Oc2ccc(C)cc2)o1 ZINC001492293790 1065408949 /nfs/dbraw/zinc/40/89/49/1065408949.db2.gz DCOWAEIUQZJDLE-OAQYLSRUSA-N 0 0 480.613 3.269 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)cc1 ZINC001492294542 1065409733 /nfs/dbraw/zinc/40/97/33/1065409733.db2.gz IZGRHGMAONLWGO-RRENTHDGSA-N 0 0 450.580 3.140 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)cc1 ZINC001492294545 1065409821 /nfs/dbraw/zinc/40/98/21/1065409821.db2.gz IZGRHGMAONLWGO-TXQGORRRSA-N 0 0 450.580 3.140 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 ZINC001492294926 1065409843 /nfs/dbraw/zinc/40/98/43/1065409843.db2.gz KVXUIMBYIKGTPH-DLBZAZTESA-N 0 0 454.962 3.436 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cc1 ZINC001492294985 1065410437 /nfs/dbraw/zinc/41/04/37/1065410437.db2.gz LKSQITCUPFUKBK-CTNGQTDRSA-N 0 0 465.602 3.196 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(C3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC001492296147 1065412315 /nfs/dbraw/zinc/41/23/15/1065412315.db2.gz SCNQCLNFQXIQBP-LJQANCHMSA-N 0 0 475.659 3.477 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001545691875 1065412912 /nfs/dbraw/zinc/41/29/12/1065412912.db2.gz JZWPFMHHGZSGDG-DLBZAZTESA-N 0 0 480.535 3.063 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(c4cnn(C)c4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001492351997 1065413990 /nfs/dbraw/zinc/41/39/90/1065413990.db2.gz ICWAMDCLJXMRPE-UHFFFAOYSA-N 0 0 465.602 3.055 20 0 JGADRN Cc1csc(Cn2c(COc3ccc(C)cc3)nnc2N2CCC(CCC(N)=O)CC2)n1 ZINC001492353701 1065416389 /nfs/dbraw/zinc/41/63/89/1065416389.db2.gz JDEOZKFCBDALIL-UHFFFAOYSA-N 0 0 454.600 3.461 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2C[C@H]2CCCOC2)cc1 ZINC001492353705 1065416431 /nfs/dbraw/zinc/41/64/31/1065416431.db2.gz JHWCQLVAHCGCER-LJQANCHMSA-N 0 0 495.546 3.487 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492353826 1065417320 /nfs/dbraw/zinc/41/73/20/1065417320.db2.gz MXSOOUSONBNWFF-NRFANRHFSA-N 0 0 479.629 3.145 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001492354082 1065418137 /nfs/dbraw/zinc/41/81/37/1065418137.db2.gz WHEOOUPWFSHQOJ-UHFFFAOYSA-N 0 0 484.645 3.118 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@]2(O)CCSC2)cc1C ZINC001492358692 1065419719 /nfs/dbraw/zinc/41/97/19/1065419719.db2.gz CEKOWOFPWFZBOH-RUZDIDTESA-N 0 0 487.670 3.083 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(COc3ccc(C)cc3)nnc2N2CCC(F)(F)C2)s1 ZINC001492358595 1065419875 /nfs/dbraw/zinc/41/98/75/1065419875.db2.gz BPBMPRFIENGFKO-UHFFFAOYSA-N 0 0 497.593 3.359 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CCC2CC2)cc1C ZINC001492360237 1065421544 /nfs/dbraw/zinc/42/15/44/1065421544.db2.gz QBTDWQKNNJMFRW-UHFFFAOYSA-N 0 0 461.632 3.134 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001492362128 1065423176 /nfs/dbraw/zinc/42/31/76/1065423176.db2.gz ATCQQBNFLJDHRD-NRFANRHFSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC4(CC3)NC(=O)N(C)C4=O)n2CC(C)(C)C(C)C)cc1 ZINC001492362156 1065423258 /nfs/dbraw/zinc/42/32/58/1065423258.db2.gz BSSYVEOZSZLOAV-UHFFFAOYSA-N 0 0 468.602 3.368 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492363655 1065425000 /nfs/dbraw/zinc/42/50/00/1065425000.db2.gz LLEVUDOZPKAPMC-OALUTQOASA-N 0 0 476.643 3.383 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCOCC(F)(F)C(F)F)cc1C ZINC001492363974 1065425724 /nfs/dbraw/zinc/42/57/24/1065425724.db2.gz PPJWYRYLRVFBMN-JOCHJYFZSA-N 0 0 499.509 3.107 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001492363942 1065425794 /nfs/dbraw/zinc/42/57/94/1065425794.db2.gz PEOQORNSFMZWSD-DFBJGRDBSA-N 0 0 458.603 3.489 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@]4(C3)CCCOC4)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001492364774 1065427090 /nfs/dbraw/zinc/42/70/90/1065427090.db2.gz ZVCWUEGEZCQXKX-DEOSSOPVSA-N 0 0 476.643 3.386 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC001492364728 1065427244 /nfs/dbraw/zinc/42/72/44/1065427244.db2.gz YXJVMKTVTHHIPM-OAQYLSRUSA-N 0 0 499.637 3.409 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CSCCS2)cc1C ZINC001492368236 1065427989 /nfs/dbraw/zinc/42/79/89/1065427989.db2.gz DURAUQVGWKUGDX-IEBWSBKVSA-N 0 0 461.657 3.024 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CSCCS2)cc1C ZINC001492368237 1065428054 /nfs/dbraw/zinc/42/80/54/1065428054.db2.gz DURAUQVGWKUGDX-MJGOQNOKSA-N 0 0 461.657 3.024 20 0 JGADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)n1 ZINC001492368246 1065428153 /nfs/dbraw/zinc/42/81/53/1065428153.db2.gz DWPSHSFWRCSUMJ-WMZOPIPTSA-N 0 0 454.600 3.436 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492368849 1065428753 /nfs/dbraw/zinc/42/87/53/1065428753.db2.gz HYHFTJVCKINMQA-XRSWDHFMSA-N 0 0 487.670 3.208 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H]4CCC[C@H]43)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492369214 1065429684 /nfs/dbraw/zinc/42/96/84/1065429684.db2.gz MIXQLIHCPUJEHO-TZIWHRDSSA-N 0 0 461.632 3.181 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@@]2(O)CCOC2)cc1C ZINC001492369912 1065431074 /nfs/dbraw/zinc/43/10/74/1065431074.db2.gz DEUXRCPSZPRJTR-IDISGSTGSA-N 0 0 499.656 3.004 20 0 JGADRN Cc1nc(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n[nH]1 ZINC001492370008 1065431092 /nfs/dbraw/zinc/43/10/92/1065431092.db2.gz FAGKFFKEYYXRTB-LJQANCHMSA-N 0 0 496.616 3.328 20 0 JGADRN Cc1csc([C@@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCS(C)(=O)=O)C2)n1 ZINC001492370315 1065431952 /nfs/dbraw/zinc/43/19/52/1065431952.db2.gz HSQOVZVSUSTQNZ-GOSISDBHSA-N 0 0 475.640 3.359 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2Cc2cnnn2C)cc1C ZINC001492370516 1065432757 /nfs/dbraw/zinc/43/27/57/1065432757.db2.gz JFVPUHUCFRKIIX-NRFANRHFSA-N 0 0 453.591 3.435 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@]2(C)COCCO2)cc1C ZINC001492370328 1065432869 /nfs/dbraw/zinc/43/28/69/1065432869.db2.gz HXFMOOSHPVNOEU-WXVAWEFUSA-N 0 0 499.656 3.268 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCSCC(F)(F)F)cc1 ZINC001492371191 1065435062 /nfs/dbraw/zinc/43/50/62/1065435062.db2.gz XYFIUUWCQNBKRO-HNNXBMFYSA-N 0 0 457.522 3.163 20 0 JGADRN Cc1ccoc1Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001492371377 1065435242 /nfs/dbraw/zinc/43/52/42/1065435242.db2.gz PWODNKCXCZPCBO-FQEVSTJZSA-N 0 0 487.626 3.223 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](n4cnc(C(N)=O)n4)C3)n2CCC(C)C)cc1C ZINC001492371731 1065435992 /nfs/dbraw/zinc/43/59/92/1065435992.db2.gz TUAXNNZQJSQYJH-LJQANCHMSA-N 0 0 466.590 3.052 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H]2CCOC2)cc1C ZINC001492371743 1065436030 /nfs/dbraw/zinc/43/60/30/1065436030.db2.gz UASWALNVVMCRCB-FGZHOGPDSA-N 0 0 469.630 3.499 20 0 JGADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCOCC(F)F)C2)n1 ZINC001492371870 1065436613 /nfs/dbraw/zinc/43/66/13/1065436613.db2.gz UKVMDFLUWTWSNJ-LJQANCHMSA-N 0 0 475.544 3.497 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](n4cncn4)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492372374 1065437995 /nfs/dbraw/zinc/43/79/95/1065437995.db2.gz YVIOLPWZZSHGHQ-FPYOTAMTSA-N 0 0 471.631 3.146 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCO[C@H](C)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492377404 1065440769 /nfs/dbraw/zinc/44/07/69/1065440769.db2.gz OSOYAYTZJUWQJC-CTNGQTDRSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCCO2)cc1C ZINC001492379504 1065443721 /nfs/dbraw/zinc/44/37/21/1065443721.db2.gz RLCYYBRTFLVAJH-RTWAWAEBSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C4CC4)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492379401 1065443818 /nfs/dbraw/zinc/44/38/18/1065443818.db2.gz RAVLIXWTPPWDJG-SANMLTNESA-N 0 0 469.630 3.330 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2CCCO2)cc1C ZINC001492379500 1065443834 /nfs/dbraw/zinc/44/38/34/1065443834.db2.gz RLCYYBRTFLVAJH-NHCUHLMSSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC4(CCOCC4)C3)n2CCNC(=O)C(C)C)cc1 ZINC001492379586 1065444698 /nfs/dbraw/zinc/44/46/98/1065444698.db2.gz SUQQWAHKQSPMMZ-UHFFFAOYSA-N 0 0 455.603 3.335 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001492382947 1065445267 /nfs/dbraw/zinc/44/52/67/1065445267.db2.gz GHZIILMTKXAEIR-UHFFFAOYSA-N 0 0 498.628 3.268 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCCCCCO)cc1 ZINC001492382994 1065446345 /nfs/dbraw/zinc/44/63/45/1065446345.db2.gz HQWCRFVOFRJSNP-UHFFFAOYSA-N 0 0 472.634 3.348 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCc2nccnc2C)cc1C ZINC001492383225 1065447032 /nfs/dbraw/zinc/44/70/32/1065447032.db2.gz OOMIDBGHKKTWHS-UHFFFAOYSA-N 0 0 477.613 3.120 20 0 JGADRN Cc1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(C(=O)OCC(C)C)CC2)on1 ZINC001492383359 1065447971 /nfs/dbraw/zinc/44/79/71/1065447971.db2.gz RBXLKEFFGMBMIJ-UHFFFAOYSA-N 0 0 468.558 3.425 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCOC(C)C)cc1 ZINC001492383739 1065448691 /nfs/dbraw/zinc/44/86/91/1065448691.db2.gz XCNGRVMCELFBCA-UHFFFAOYSA-N 0 0 458.607 3.221 20 0 JGADRN Cc1c(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)cnn1CC(C)C ZINC001492383628 1065448725 /nfs/dbraw/zinc/44/87/25/1065448725.db2.gz WQHKUDBFXCFYFS-FQEVSTJZSA-N 0 0 465.602 3.042 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4nccnc4C)CC3)n2CCOC(C)C)cc1C ZINC001492386259 1065455663 /nfs/dbraw/zinc/45/56/63/1065455663.db2.gz ZYIGWAOZYLCCBO-UHFFFAOYSA-N 0 0 465.602 3.324 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)[C@@H]4CCCC[C@@H]43)n2CCCNS(C)(=O)=O)cc1C ZINC001492340973 1065456389 /nfs/dbraw/zinc/45/63/89/1065456389.db2.gz XHUBNHKABCPEHE-BVSLBCMMSA-N 0 0 475.659 3.428 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492345103 1065459612 /nfs/dbraw/zinc/45/96/12/1065459612.db2.gz AMQSHYUHDLRWSV-AVRWGWEMSA-N 0 0 486.617 3.028 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCn2cc(Br)cn2)cc1 ZINC001492344969 1065459634 /nfs/dbraw/zinc/45/96/34/1065459634.db2.gz SKFDEEQPNIQULN-IAGOWNOFSA-N 0 0 475.391 3.438 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001492345319 1065460466 /nfs/dbraw/zinc/46/04/66/1065460466.db2.gz UKFRFSJCTKHDIU-DOTOQJQBSA-N 0 0 451.493 3.469 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2Cc2ncccc2N(C)C)cc1 ZINC001492392205 1065464503 /nfs/dbraw/zinc/46/45/03/1065464503.db2.gz WFVYPZDJIMPSGK-UHFFFAOYSA-N 0 0 489.546 3.359 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCN2CCOCC2(C)C)cc1C ZINC001492396087 1065467746 /nfs/dbraw/zinc/46/77/46/1065467746.db2.gz XQYUGPPMWBQTEU-QHCPKHFHSA-N 0 0 471.646 3.446 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCC(=O)N2CCCCC2)cc1C ZINC001492395781 1065467779 /nfs/dbraw/zinc/46/77/79/1065467779.db2.gz VLEDOXGRNIUXHE-UHFFFAOYSA-N 0 0 455.603 3.492 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001492399785 1065468454 /nfs/dbraw/zinc/46/84/54/1065468454.db2.gz COZFSJBTBQBVIB-JOCHJYFZSA-N 0 0 468.602 3.194 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492400296 1065469245 /nfs/dbraw/zinc/46/92/45/1065469245.db2.gz HOUMQRJPROROKK-XIFFEERXSA-N 0 0 476.643 3.099 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H](C)CN2CCOCC2)cc1C ZINC001492402344 1065472671 /nfs/dbraw/zinc/47/26/71/1065472671.db2.gz ROJMXJLXWNZVDS-WIYYLYMNSA-N 0 0 459.660 3.384 20 0 JGADRN Cc1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOc2ccc(C)cc2)no1 ZINC001492411479 1065475564 /nfs/dbraw/zinc/47/55/64/1065475564.db2.gz HMRFEUJJRQGLCO-LJQANCHMSA-N 0 0 473.599 3.281 20 0 JGADRN Cc1nnc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCOc2ccc(C)cc2)s1 ZINC001492418123 1065478941 /nfs/dbraw/zinc/47/89/41/1065478941.db2.gz CNTMIBMHWNUJFP-UHFFFAOYSA-N 0 0 478.582 3.152 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC=CCO2)cc1 ZINC001492418803 1065479369 /nfs/dbraw/zinc/47/93/69/1065479369.db2.gz MOWNAWJJJCCESC-WIOPSUGQSA-N 0 0 456.587 3.487 20 0 JGADRN Cc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1 ZINC001492424950 1065483827 /nfs/dbraw/zinc/48/38/27/1065483827.db2.gz ORSXCZZPXPMBTL-MMKMLUHNSA-N 0 0 461.632 3.291 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001492426267 1065484435 /nfs/dbraw/zinc/48/44/35/1065484435.db2.gz GOUIVJFKHLTGCG-CTNGQTDRSA-N 0 0 498.628 3.452 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001492426274 1065484461 /nfs/dbraw/zinc/48/44/61/1065484461.db2.gz GOUIVJFKHLTGCG-PZJWPPBQSA-N 0 0 498.628 3.452 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001492426269 1065484614 /nfs/dbraw/zinc/48/46/14/1065484614.db2.gz GOUIVJFKHLTGCG-FPOVZHCZSA-N 0 0 498.628 3.452 20 0 JGADRN Cc1ccc(OCCn2c(Cc3ccsc3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC001492427116 1065485336 /nfs/dbraw/zinc/48/53/36/1065485336.db2.gz PHIDVDBFJACMRE-UHFFFAOYSA-N 0 0 489.667 3.083 20 0 JGADRN Cc1ccc(OCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC001492426776 1065485351 /nfs/dbraw/zinc/48/53/51/1065485351.db2.gz KBRLEDBOKHYKEJ-IBGZPJMESA-N 0 0 463.648 3.020 20 0 JGADRN 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ZINC001492437161 1065492849 /nfs/dbraw/zinc/49/28/49/1065492849.db2.gz SJCSZUVDEKFJNT-UHFFFAOYSA-N 0 0 473.596 3.124 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3Cl)nnc2N2CCCOCC2)s1 ZINC001492437949 1065494566 /nfs/dbraw/zinc/49/45/66/1065494566.db2.gz DIRZHCDANYYJIG-UHFFFAOYSA-N 0 0 482.031 3.174 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccco2)s1 ZINC001492439095 1065496013 /nfs/dbraw/zinc/49/60/13/1065496013.db2.gz MEWWRAFWAZLHQS-INIZCTEOSA-N 0 0 472.596 3.479 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccn3)nnc2N(C)C[C@H]2CC=CCC2)s1 ZINC001492438393 1065496027 /nfs/dbraw/zinc/49/60/27/1065496027.db2.gz JOKWVQKAPMQZBM-SFHVURJKSA-N 0 0 472.640 3.481 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccn3)nnc2N(C)Cc2ccoc2C)s1 ZINC001492441563 1065497555 /nfs/dbraw/zinc/49/75/55/1065497555.db2.gz SEUBPPYDKSYUIC-UHFFFAOYSA-N 0 0 472.596 3.226 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccn3)nnc2N2C[C@@H](C)S[C@H](C)C2)s1 ZINC001492441523 1065497644 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NKFFPMLYVWSFNS-AUSIDOKSSA-N 0 0 476.668 3.221 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCn3cccn3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001492448773 1065501811 /nfs/dbraw/zinc/50/18/11/1065501811.db2.gz IABKPMQEFOIREB-IBGZPJMESA-N 0 0 474.656 3.037 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001492448940 1065502186 /nfs/dbraw/zinc/50/21/86/1065502186.db2.gz NKFFPMLYVWSFNS-WMZHIEFXSA-N 0 0 476.668 3.221 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001492448959 1065502264 /nfs/dbraw/zinc/50/22/64/1065502264.db2.gz OAQMKCUHCBMURX-MOPGFXCFSA-N 0 0 466.673 3.422 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)cc1 ZINC001492449449 1065502833 /nfs/dbraw/zinc/50/28/33/1065502833.db2.gz UXJKGKCSMJPTPA-LJQANCHMSA-N 0 0 464.657 3.176 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001492449442 1065503108 /nfs/dbraw/zinc/50/31/08/1065503108.db2.gz UNLQKTZSUIKHLF-JOCHJYFZSA-N 0 0 464.657 3.055 20 0 JGADRN 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/nfs/dbraw/zinc/18/86/23/1066188623.db2.gz LAYZYAWLEVGCLA-HLIPFELVSA-N 0 0 495.418 3.286 20 0 JGADRN COC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCc2ccccc2F)C[C@H](C)O1 ZINC001301406704 1066188643 /nfs/dbraw/zinc/18/86/43/1066188643.db2.gz MPRIUJUPORYCMI-HKUYNNGSSA-N 0 0 487.601 3.282 20 0 JGADRN COC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCC2(F)F)C[C@H](C)O1 ZINC001301407191 1066189578 /nfs/dbraw/zinc/18/95/78/1066189578.db2.gz NZCPDWJNKHSHMA-BBWFWOEESA-N 0 0 483.585 3.335 20 0 JGADRN COC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2Cc2nnc(C(C)(C)C)s2)CCO1 ZINC001301407168 1066189581 /nfs/dbraw/zinc/18/95/81/1066189581.db2.gz NNHJFUCYGHPTLC-SFHVURJKSA-N 0 0 472.615 3.214 20 0 JGADRN COC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC001301407815 1066190678 /nfs/dbraw/zinc/19/06/78/1066190678.db2.gz QJNFTLGHTLTWND-VQTJNVASSA-N 0 0 497.562 3.210 20 0 JGADRN COC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ccc(F)cc2)C[C@@H](C)O1 ZINC001301407774 1066190681 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COCCO[C@H](C)c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1ccc2c(c1)OCCCO2 ZINC001301980132 1066286434 /nfs/dbraw/zinc/28/64/34/1066286434.db2.gz RYVFWBUOLGFACS-GOSISDBHSA-N 0 0 490.601 3.047 20 0 JGADRN COCC[C@](C)(O)Cn1c(N2CCC(c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001301463436 1066286479 /nfs/dbraw/zinc/28/64/79/1066286479.db2.gz NWUCBRFSMRGVGC-UIOOFZCWSA-N 0 0 472.630 3.490 20 0 JGADRN CC(C)(C)OC(=O)NCCCSCCC(=O)NCc1ccc(N2CCCNC2=O)cc1 ZINC001301463992 1066286939 /nfs/dbraw/zinc/28/69/39/1066286939.db2.gz DEGGTMCZFCQRBK-UHFFFAOYSA-N 0 0 450.605 3.261 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C)CCOCC1 ZINC001301980266 1066286983 /nfs/dbraw/zinc/28/69/83/1066286983.db2.gz BPIXUBYGHPDKBC-ROUUACIJSA-N 0 0 486.642 3.410 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C)CCOCC1 ZINC001301980264 1066287109 /nfs/dbraw/zinc/28/71/09/1066287109.db2.gz BPIXUBYGHPDKBC-MSOLQXFVSA-N 0 0 486.642 3.410 20 0 JGADRN COCCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001301464145 1066287252 /nfs/dbraw/zinc/28/72/52/1066287252.db2.gz AQJMZKGPROXTGS-IBGZPJMESA-N 0 0 462.616 3.086 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C)CCOCC1 ZINC001301980265 1066287282 /nfs/dbraw/zinc/28/72/82/1066287282.db2.gz BPIXUBYGHPDKBC-QZTJIDSGSA-N 0 0 486.642 3.410 20 0 JGADRN COCC[C@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001301464217 1066287593 /nfs/dbraw/zinc/28/75/93/1066287593.db2.gz WPHPRNRYOURSCX-PBIIQAGSSA-N 0 0 452.640 3.380 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCOC1CCOCC1)S(C)(=O)=O ZINC001301980638 1066287703 /nfs/dbraw/zinc/28/77/03/1066287703.db2.gz CLLUINQWODGEBD-DLBZAZTESA-N 0 0 485.050 3.442 20 0 JGADRN Cc1c(Cl)c(C(=O)N[C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)sc1S(N)(=O)=O ZINC001301464309 1066287748 /nfs/dbraw/zinc/28/77/48/1066287748.db2.gz BSCVIMXZTTXCKI-UONOGXRCSA-N 0 0 451.397 3.499 20 0 JGADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(CCOc3ccccc3)n2CCC(C)(F)F)CC1 ZINC001301980620 1066287898 /nfs/dbraw/zinc/28/78/98/1066287898.db2.gz DUCQYWXROWRERB-HXUWFJFHSA-N 0 0 490.599 3.078 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)c1ccco1 ZINC001301980857 1066288413 /nfs/dbraw/zinc/28/84/13/1066288413.db2.gz DLNCKUZUWVYBOQ-KCYKTTMJSA-N 0 0 498.609 3.094 20 0 JGADRN COCc1nc2sc(C(=O)NCc3ccc(N4CCCNC4=O)cc3)c(C)c2c(OC)n1 ZINC001301465398 1066288767 /nfs/dbraw/zinc/28/87/67/1066288767.db2.gz FYJZCRJVSKKKNA-UHFFFAOYSA-N 0 0 455.540 3.004 20 0 JGADRN COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([C@H]3CCCO3)CC2)CCCCC1 ZINC001301465319 1066288890 /nfs/dbraw/zinc/28/88/90/1066288890.db2.gz HCOMZEYUVNNHGA-TZIWHRDSSA-N 0 0 497.706 3.271 20 0 JGADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2F)CC1 ZINC001301981219 1066289160 /nfs/dbraw/zinc/28/91/60/1066289160.db2.gz JRYWISKLQZRQPV-HXUWFJFHSA-N 0 0 470.637 3.381 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1Cc1cc(C)cc(OC)c1 ZINC001301982084 1066290197 /nfs/dbraw/zinc/29/01/97/1066290197.db2.gz CVULNGITFDQQQP-KBMIEXCESA-N 0 0 474.602 3.142 20 0 JGADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC=CO2)CC1 ZINC001301982840 1066290973 /nfs/dbraw/zinc/29/09/73/1066290973.db2.gz MTAOFYGENUUDBL-PZJWPPBQSA-N 0 0 458.651 3.129 20 0 JGADRN COCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001301468358 1066291124 /nfs/dbraw/zinc/29/11/24/1066291124.db2.gz DOWQWTFOJKVNJP-QZTJIDSGSA-N 0 0 493.699 3.342 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCCn1cc(Br)cn1 ZINC001301983426 1066292147 /nfs/dbraw/zinc/29/21/47/1066292147.db2.gz IQNCEFJJYYKVBZ-HOTGVXAUSA-N 0 0 485.427 3.055 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(C)(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001301983927 1066292705 /nfs/dbraw/zinc/29/27/05/1066292705.db2.gz RCOYUBKIAFXCIW-KGLIPLIRSA-N 0 0 471.023 3.306 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2)S(C)(=O)=O ZINC001301983930 1066292851 /nfs/dbraw/zinc/29/28/51/1066292851.db2.gz RCOYUBKIAFXCIW-UONOGXRCSA-N 0 0 471.023 3.306 20 0 JGADRN COCCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCS(=O)CC2)CCC1 ZINC001301469243 1066293022 /nfs/dbraw/zinc/29/30/22/1066293022.db2.gz YEMKUISTTOIZFN-UHFFFAOYSA-N 0 0 467.433 3.483 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(C)(C)C ZINC001301983969 1066293352 /nfs/dbraw/zinc/29/33/52/1066293352.db2.gz RMNRVKNYJSLSMJ-IAGOWNOFSA-N 0 0 484.688 3.433 20 0 JGADRN COc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC001301984064 1066293362 /nfs/dbraw/zinc/29/33/62/1066293362.db2.gz JWVWBZJYFNIPDR-UHFFFAOYSA-N 0 0 458.440 3.384 20 0 JGADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC2CC(F)(F)C2)CC1 ZINC001301983973 1066293437 /nfs/dbraw/zinc/29/34/37/1066293437.db2.gz ROCOWZOZQGYTPB-MRXNPFEDSA-N 0 0 452.594 3.190 20 0 JGADRN COCCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](COC)C2)CCC1 ZINC001301469328 1066293524 /nfs/dbraw/zinc/29/35/24/1066293524.db2.gz OQIZLHVHRKBRDV-SFHVURJKSA-N 0 0 462.616 3.028 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCCC1=O)S(C)(=O)=O ZINC001301984256 1066293966 /nfs/dbraw/zinc/29/39/66/1066293966.db2.gz SJUTWSNFTNQMCV-DLBZAZTESA-N 0 0 482.050 3.259 20 0 JGADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2CC2CCC(F)(F)CC2)CC1 ZINC001301984629 1066294607 /nfs/dbraw/zinc/29/46/07/1066294607.db2.gz VJPSABVBJXXNML-QGZVFWFLSA-N 0 0 466.621 3.481 20 0 JGADRN COCCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001301470241 1066294751 /nfs/dbraw/zinc/29/47/51/1066294751.db2.gz ZGRSRSUNHDBSMD-UHFFFAOYSA-N 0 0 478.391 3.413 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccsc1 ZINC001301984791 1066295085 /nfs/dbraw/zinc/29/50/85/1066295085.db2.gz VYDKIBVXTNIVTJ-CABCVRRESA-N 0 0 496.058 3.229 20 0 JGADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(-c3cccn3C)n2CCSC(F)(F)F)CC1 ZINC001301984827 1066295101 /nfs/dbraw/zinc/29/51/01/1066295101.db2.gz WDOSNWKHQIJHLJ-MRXNPFEDSA-N 0 0 499.607 3.106 20 0 JGADRN COCCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001301470482 1066295299 /nfs/dbraw/zinc/29/52/99/1066295299.db2.gz HKUOAPAUBDSHLL-UHFFFAOYSA-N 0 0 453.008 3.429 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(C)(C)C1CC1 ZINC001301984858 1066295409 /nfs/dbraw/zinc/29/54/09/1066295409.db2.gz WLOJWKRHOYPIEE-CVEARBPZSA-N 0 0 462.620 3.010 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccs1 ZINC001301985125 1066295820 /nfs/dbraw/zinc/29/58/20/1066295820.db2.gz XHYACNLNTPDVCH-VXGBXAGGSA-N 0 0 472.434 3.403 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CCC(=O)NC(C)(C)C ZINC001301985198 1066296588 /nfs/dbraw/zinc/29/65/88/1066296588.db2.gz AEFLEWCTYPRFMP-HUUCEWRRSA-N 0 0 470.039 3.161 20 0 JGADRN COCCC1(Cn2c(-c3ccccc3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CCCC1 ZINC001301472591 1066296425 /nfs/dbraw/zinc/29/64/25/1066296425.db2.gz YPOHEXFKTDBDAO-UHFFFAOYSA-N 0 0 475.659 3.308 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1nc(C(C)(C)C)cs1 ZINC001301985182 1066296714 /nfs/dbraw/zinc/29/67/14/1066296714.db2.gz ABFVBJHDUOWARI-HUUCEWRRSA-N 0 0 462.645 3.400 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CCN1CC=CCC1)S(C)(=O)=O ZINC001301985790 1066297679 /nfs/dbraw/zinc/29/76/79/1066297679.db2.gz BYNFAOIPCZVMEH-RBUKOAKNSA-N 0 0 468.627 3.013 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(OC2CCCC2)nc1 ZINC001301985864 1066297715 /nfs/dbraw/zinc/29/77/15/1066297715.db2.gz CHGQQFSDRIIXQS-MSOLQXFVSA-N 0 0 484.626 3.363 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(OC2CCCC2)nc1 ZINC001301985866 1066297893 /nfs/dbraw/zinc/29/78/93/1066297893.db2.gz CHGQQFSDRIIXQS-ROUUACIJSA-N 0 0 484.626 3.363 20 0 JGADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[S@](C)(=O)=NC)c1 ZINC001301474883 1066298520 /nfs/dbraw/zinc/29/85/20/1066298520.db2.gz CQRWLFWZCOOWLJ-NDEPHWFRSA-N 0 0 458.005 3.013 20 0 JGADRN CN=[S@](C)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001301474774 1066298693 /nfs/dbraw/zinc/29/86/93/1066298693.db2.gz BWNIBLWKKHXLPL-GHRAFVERSA-N 0 0 455.580 3.244 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nccs1)S(C)(=O)=O ZINC001301986220 1066298974 /nfs/dbraw/zinc/29/89/74/1066298974.db2.gz DBQWDZZJPQQPJQ-QWHCGFSZSA-N 0 0 484.445 3.470 20 0 JGADRN COCCC1(Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001301477081 1066299833 /nfs/dbraw/zinc/29/98/33/1066299833.db2.gz KKWOCGXQQAWLHX-KRWDZBQOSA-N 0 0 470.599 3.153 20 0 JGADRN COCCC1(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCCC1 ZINC001301477997 1066300136 /nfs/dbraw/zinc/30/01/36/1066300136.db2.gz NOXFPJDZLOZJNB-IBGZPJMESA-N 0 0 461.632 3.259 20 0 JGADRN 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JGADRN C[C@@H]1CCO[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001302841510 1067427916 /nfs/dbraw/zinc/42/79/16/1067427916.db2.gz GONPTWXXZRJERF-NSISKUIASA-N 0 0 461.994 3.292 20 0 JGADRN CC(C)Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC1([S@@](C)=O)CC1 ZINC001302841317 1067427978 /nfs/dbraw/zinc/42/79/78/1067427978.db2.gz JPHWTXCSJQYFBH-JGCGQSQUSA-N 0 0 470.542 3.354 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C2CC2)cc1C ZINC001304381015 1067428823 /nfs/dbraw/zinc/42/88/23/1067428823.db2.gz ZPVLTTJUXCTVPM-FNZWTVRRSA-N 0 0 498.628 3.412 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001302842675 1067429369 /nfs/dbraw/zinc/42/93/69/1067429369.db2.gz STDOSRYZBXSNKM-YLJYHZDGSA-N 0 0 468.533 3.395 20 0 JGADRN C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1O ZINC001302842590 1067429387 /nfs/dbraw/zinc/42/93/87/1067429387.db2.gz AYUQTZJJHPDQLI-XLIONFOSSA-N 0 0 484.601 3.003 20 0 JGADRN C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C[C@@H]1O ZINC001302844104 1067430328 /nfs/dbraw/zinc/43/03/28/1067430328.db2.gz SZTQSUAULVPVAY-CFLQYTFWSA-N 0 0 469.483 3.229 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCO[C@@H](C)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1C ZINC001304382565 1067431155 /nfs/dbraw/zinc/43/11/55/1067431155.db2.gz DNFOHDAGNAHEMH-FQEVSTJZSA-N 0 0 482.629 3.411 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001302845325 1067431163 /nfs/dbraw/zinc/43/11/63/1067431163.db2.gz MGKLXKQIMHYDFW-BVYCBKJFSA-N 0 0 492.642 3.254 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnccn1 ZINC001302844997 1067431216 /nfs/dbraw/zinc/43/12/16/1067431216.db2.gz HXYUURAYTRKFHH-QWFCFKBJSA-N 0 0 471.606 3.244 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001302845326 1067431240 /nfs/dbraw/zinc/43/12/40/1067431240.db2.gz MGKLXKQIMHYDFW-STZQEDGTSA-N 0 0 492.642 3.254 20 0 JGADRN 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C[C@@H]1CN(c2nnc(-c3cc4ccccc4o3)n2CCOCCS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001302850449 1067435138 /nfs/dbraw/zinc/43/51/38/1067435138.db2.gz LYVFSGCTYAQJBE-GDBMZVCRSA-N 0 0 486.516 3.387 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)NCC(F)F)C[C@@H]1F ZINC001302850651 1067435142 /nfs/dbraw/zinc/43/51/42/1067435142.db2.gz PMBJMJHBOQYIEN-RNCFNFMXSA-N 0 0 464.261 3.022 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CC(C)C)cc1C ZINC001304384525 1067435301 /nfs/dbraw/zinc/43/53/01/1067435301.db2.gz RLKCYDKEBTUPDY-XMMPIXPASA-N 0 0 451.575 3.289 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCSC2)CCN1C(=O)OC(C)(C)C ZINC001302850890 1067435487 /nfs/dbraw/zinc/43/54/87/1067435487.db2.gz VGLVEKBDIYMBAU-QRQCRPRQSA-N 0 0 495.049 3.307 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2cc(C(C)(C)C)no2)cc1C ZINC001304384632 1067435770 /nfs/dbraw/zinc/43/57/70/1067435770.db2.gz RBRAWNUJBQZPCS-KRWDZBQOSA-N 0 0 479.585 3.183 20 0 JGADRN 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Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)(F)F)CC3)n2Cc2ccc(F)cn2)cc1C ZINC001304385122 1067437086 /nfs/dbraw/zinc/43/70/86/1067437086.db2.gz UKCYXIBSQVWLAI-UHFFFAOYSA-N 0 0 491.493 3.414 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2CCCCS2)cc1C ZINC001304384974 1067437169 /nfs/dbraw/zinc/43/71/69/1067437169.db2.gz WSWNALATCMOVKV-PKOBYXMFSA-N 0 0 456.616 3.100 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ncccc2N(C)C)CCN1C(=O)OC(C)(C)C ZINC001302853056 1067437600 /nfs/dbraw/zinc/43/76/00/1067437600.db2.gz RPDMAFIMBBBLNR-GOSISDBHSA-N 0 0 478.601 3.295 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2cccs2)cc1C ZINC001304385321 1067437645 /nfs/dbraw/zinc/43/76/45/1067437645.db2.gz XOSMBOSJRYWSNE-IBGZPJMESA-N 0 0 473.624 3.270 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(O)cc2)CCN1C(=O)OC(C)(C)C ZINC001302853536 1067438169 /nfs/dbraw/zinc/43/81/69/1067438169.db2.gz VVDYMZTYEKMBPD-QGZVFWFLSA-N 0 0 452.559 3.483 20 0 JGADRN 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Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001304406662 1067470561 /nfs/dbraw/zinc/47/05/61/1067470561.db2.gz VJRSVHCQROGWKO-RBUKOAKNSA-N 0 0 486.617 3.088 20 0 JGADRN C[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(N)=O)c2)CCN1C(=O)OC(C)(C)C ZINC001302891842 1067471139 /nfs/dbraw/zinc/47/11/39/1067471139.db2.gz AIQNXYWKOXDIHF-KRWDZBQOSA-N 0 0 470.618 3.460 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001302892084 1067471655 /nfs/dbraw/zinc/47/16/55/1067471655.db2.gz AKTNGGYTHPPIOQ-SFTDATJTSA-N 0 0 476.666 3.035 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001302892127 1067472033 /nfs/dbraw/zinc/47/20/33/1067472033.db2.gz BGEOUMZYYREKKH-IBGZPJMESA-N 0 0 491.658 3.279 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCSCCCO)cc1 ZINC001304407287 1067472050 /nfs/dbraw/zinc/47/20/50/1067472050.db2.gz NDUQLVCOVWABCC-WMZOPIPTSA-N 0 0 474.549 3.437 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001304407360 1067472125 /nfs/dbraw/zinc/47/21/25/1067472125.db2.gz OPCDAJDHGCOVQX-IYBDPMFKSA-N 0 0 471.549 3.483 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001302892300 1067472526 /nfs/dbraw/zinc/47/25/26/1067472526.db2.gz FHKGOLGVODEMBM-HXUWFJFHSA-N 0 0 476.666 3.035 20 0 JGADRN C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(C)COC2)CCN1C(=O)OC(C)(C)C ZINC001302892374 1067472578 /nfs/dbraw/zinc/47/25/78/1067472578.db2.gz HWJIQZGEMLMMAM-KRWDZBQOSA-N 0 0 459.566 3.490 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001304408102 1067472939 /nfs/dbraw/zinc/47/29/39/1067472939.db2.gz CVKRWWJCSZWTKA-NRFANRHFSA-N 0 0 493.656 3.439 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2Cc2ccc(C(N)=O)nc2)cc1C ZINC001304407988 1067472985 /nfs/dbraw/zinc/47/29/85/1067472985.db2.gz SGMOPXUEGSDQCD-GOSISDBHSA-N 0 0 464.570 3.020 20 0 JGADRN CC(C)Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001302892805 1067473488 /nfs/dbraw/zinc/47/34/88/1067473488.db2.gz NLRYMNLOGLCRCU-OAQYLSRUSA-N 0 0 492.672 3.381 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1C ZINC001304408668 1067473516 /nfs/dbraw/zinc/47/35/16/1067473516.db2.gz WEEIEVSJNMDYTO-RTBURBONSA-N 0 0 464.632 3.301 20 0 JGADRN C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CCCS2)C[C@H](C)O1 ZINC001302893362 1067473872 /nfs/dbraw/zinc/47/38/72/1067473872.db2.gz UKEYDIOQHOLYCF-OIMFZILRSA-N 0 0 481.663 3.486 20 0 JGADRN C[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCO2)CCN1C(=O)OC(C)(C)C ZINC001302893719 1067474484 /nfs/dbraw/zinc/47/44/84/1067474484.db2.gz AQVBDFHOXWVMGG-AZUAARDMSA-N 0 0 456.591 3.279 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCCCS(C)(=O)=O)cc1 ZINC001304409253 1067474762 /nfs/dbraw/zinc/47/47/62/1067474762.db2.gz ZNURRVHFWSXYBQ-LJQANCHMSA-N 0 0 464.632 3.384 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 ZINC001302894309 1067474765 /nfs/dbraw/zinc/47/47/65/1067474765.db2.gz JCOQMWGLRFHPQZ-GLDPYIMESA-N 0 0 463.623 3.260 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 ZINC001302894314 1067474841 /nfs/dbraw/zinc/47/48/41/1067474841.db2.gz JCOQMWGLRFHPQZ-XLNZFTOWSA-N 0 0 463.623 3.260 20 0 JGADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C[C@H](C)C1(F)F ZINC001302894393 1067475446 /nfs/dbraw/zinc/47/54/46/1067475446.db2.gz LPUXSFAIOLXAOM-SOLBZPMBSA-N 0 0 488.505 3.255 20 0 JGADRN C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCN2CCOCC2)C[C@H](C)C1(F)F ZINC001302895151 1067475838 /nfs/dbraw/zinc/47/58/38/1067475838.db2.gz VHTZRIBEHDFLTE-HDICACEKSA-N 0 0 451.537 3.458 20 0 JGADRN C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H](C)O1 ZINC001302895490 1067475913 /nfs/dbraw/zinc/47/59/13/1067475913.db2.gz ZALRRXTWTDFQJW-FUHIMQAGSA-N 0 0 485.526 3.275 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@]2(C)COCCO2)cc1C ZINC001304410397 1067476473 /nfs/dbraw/zinc/47/64/73/1067476473.db2.gz DETHCDLTJKANDC-OAQYLSRUSA-N 0 0 484.519 3.173 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCc2cnn(C)c2)cc1 ZINC001304410252 1067476503 /nfs/dbraw/zinc/47/65/03/1067476503.db2.gz BMMMQFLEXJXNIX-UHFFFAOYSA-N 0 0 478.519 3.425 20 0 JGADRN CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC001302895975 1067476864 /nfs/dbraw/zinc/47/68/64/1067476864.db2.gz QXYMVERDLSZRBL-USXIJHARSA-N 0 0 481.467 3.325 20 0 JGADRN C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCc2cnn(C)n2)CCN1C(=O)OC(C)(C)C ZINC001302896710 1067477828 /nfs/dbraw/zinc/47/78/28/1067477828.db2.gz GSNOGNUPCQQFSE-FQEVSTJZSA-N 0 0 494.644 3.270 20 0 JGADRN CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCc1nc2c(s1)CCCC2 ZINC001302896564 1067477833 /nfs/dbraw/zinc/47/78/33/1067477833.db2.gz KEDLNBAAWSZLAZ-UHFFFAOYSA-N 0 0 494.731 3.305 20 0 JGADRN CC(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CCNC(=O)C1CC1 ZINC001302896648 1067477914 /nfs/dbraw/zinc/47/79/14/1067477914.db2.gz MIQXKNDEKRWZPI-UHFFFAOYSA-N 0 0 453.513 3.060 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC2(O)CCC2)cc1 ZINC001304410933 1067478194 /nfs/dbraw/zinc/47/81/94/1067478194.db2.gz YGOABEHWQSKXNK-LJQANCHMSA-N 0 0 471.602 3.432 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@@H]2CCC[C@@H]2C)cc1 ZINC001304410919 1067478333 /nfs/dbraw/zinc/47/83/33/1067478333.db2.gz XXYVZTYXDKWIFV-PMACEKPBSA-N 0 0 475.659 3.462 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC2(O)CCOCC2)cc1 ZINC001304411125 1067478562 /nfs/dbraw/zinc/47/85/62/1067478562.db2.gz AQHHZFOZOKKWSD-NRFANRHFSA-N 0 0 499.656 3.086 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCOC(C)(C)C)cc1C ZINC001304411258 1067478611 /nfs/dbraw/zinc/47/86/11/1067478611.db2.gz BCBGFZRWJWENGU-DEOSSOPVSA-N 0 0 476.643 3.304 20 0 JGADRN Cc1ccc(/C=C\CC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cc1 ZINC001302898180 1067479163 /nfs/dbraw/zinc/47/91/63/1067479163.db2.gz SDCDVYXZZHLRFC-CIJDKXACSA-N 0 0 455.555 3.439 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001304411410 1067479191 /nfs/dbraw/zinc/47/91/91/1067479191.db2.gz CIOYPWFUDCBZFQ-LJQANCHMSA-N 0 0 498.628 3.124 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001304411578 1067479504 /nfs/dbraw/zinc/47/95/04/1067479504.db2.gz DLEDWXXYONOJRK-UHFFFAOYSA-N 0 0 480.569 3.354 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@H]2CCCS2)cc1C ZINC001304411454 1067479516 /nfs/dbraw/zinc/47/95/16/1067479516.db2.gz DMWUGHBHTLDHAW-PZJWPPBQSA-N 0 0 493.699 3.135 20 0 JGADRN Cc1ccc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c(F)c1Cl ZINC001302898206 1067479514 /nfs/dbraw/zinc/47/95/14/1067479514.db2.gz SMMZLEVLDCCBIB-IMJJTQAJSA-N 0 0 467.925 3.442 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N4CCNC4=O)CC3)n2CCCOC(F)(F)F)cc1 ZINC001304411605 1067479591 /nfs/dbraw/zinc/47/95/91/1067479591.db2.gz UOAWCNVLYSQESO-UHFFFAOYSA-N 0 0 482.507 3.086 20 0 JGADRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001302898256 1067479598 /nfs/dbraw/zinc/47/95/98/1067479598.db2.gz UERWMHGLYMHQQS-KCLUMXDGSA-N 0 0 473.570 3.193 20 0 JGADRN CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001302898654 1067479996 /nfs/dbraw/zinc/47/99/96/1067479996.db2.gz AJPWLAFBHMKIMQ-FQEVSTJZSA-N 0 0 485.608 3.321 20 0 JGADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001302898492 1067480107 /nfs/dbraw/zinc/48/01/07/1067480107.db2.gz HTLTWWRNEJZMKV-HDICACEKSA-N 0 0 468.627 3.192 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC[C@@H]4CCCCO4)CC3)n2CC(=O)N(C)C)cc1C ZINC001304411634 1067480032 /nfs/dbraw/zinc/48/00/32/1067480032.db2.gz UYLOVZVOHYUFAD-QHCPKHFHSA-N 0 0 485.629 3.117 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H]4OCCC[C@H]4C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001304412162 1067480578 /nfs/dbraw/zinc/48/05/78/1067480578.db2.gz JLKHCFLGGHZQHT-PZJWPPBQSA-N 0 0 455.603 3.333 20 0 JGADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC(=O)NCC(F)(F)F)C[C@H](C)C1(F)F ZINC001302899006 1067480785 /nfs/dbraw/zinc/48/07/85/1067480785.db2.gz QLSVJIASQKYTKX-GASCZTMLSA-N 0 0 475.462 3.306 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC1([S@](C)=O)CCC1 ZINC001302899024 1067480792 /nfs/dbraw/zinc/48/07/92/1067480792.db2.gz FKXUJXFTVOHUIZ-ASPBEGMCSA-N 0 0 476.622 3.317 20 0 JGADRN CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCN1CCOCC1(C)C ZINC001302899029 1067480799 /nfs/dbraw/zinc/48/07/99/1067480799.db2.gz FMVNZYZHMFAVEP-UHFFFAOYSA-N 0 0 474.675 3.048 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC2(O)CCOCC2)cc1 ZINC001304412288 1067480773 /nfs/dbraw/zinc/48/07/73/1067480773.db2.gz JYVSSKJXJQQOKV-OAQYLSRUSA-N 0 0 499.656 3.228 20 0 JGADRN 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/nfs/dbraw/zinc/51/00/29/1067510029.db2.gz MYCSBKVKXHRPFY-SFHVURJKSA-N 0 0 476.610 3.208 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001304431743 1067510046 /nfs/dbraw/zinc/51/00/46/1067510046.db2.gz RYSJPCWYFHGLMN-UHFFFAOYSA-N 0 0 467.643 3.416 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCCCO3)n2CC(=O)NCC(F)F)cc1 ZINC001304431841 1067510105 /nfs/dbraw/zinc/51/01/05/1067510105.db2.gz UVWRWYPJFIVLIW-MRXNPFEDSA-N 0 0 453.559 3.265 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2OCCC2(C)C)cc1 ZINC001304432221 1067510394 /nfs/dbraw/zinc/51/03/94/1067510394.db2.gz RRGAMLLHMGSAHJ-MJGOQNOKSA-N 0 0 464.657 3.317 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001304432222 1067510450 /nfs/dbraw/zinc/51/04/50/1067510450.db2.gz RRGAMLLHMGSAHJ-PKOBYXMFSA-N 0 0 464.657 3.317 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001304432220 1067510453 /nfs/dbraw/zinc/51/04/53/1067510453.db2.gz RRGAMLLHMGSAHJ-IEBWSBKVSA-N 0 0 464.657 3.317 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001304432095 1067510477 /nfs/dbraw/zinc/51/04/77/1067510477.db2.gz YDKKPSPJZXUBRT-WOJBJXKFSA-N 0 0 493.699 3.166 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001304432093 1067510498 /nfs/dbraw/zinc/51/04/98/1067510498.db2.gz YDKKPSPJZXUBRT-UXHICEINSA-N 0 0 493.699 3.166 20 0 JGADRN FC(F)(F)COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCOCC2)cn1 ZINC001302937280 1067510581 /nfs/dbraw/zinc/51/05/81/1067510581.db2.gz MACNIYZCFIRSKO-UHFFFAOYSA-N 0 0 454.840 3.215 20 0 JGADRN Cc1noc(C)c1Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001304432335 1067510739 /nfs/dbraw/zinc/51/07/39/1067510739.db2.gz VKHNGZUNKDCAAG-QGZVFWFLSA-N 0 0 461.613 3.155 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001304432369 1067510772 /nfs/dbraw/zinc/51/07/72/1067510772.db2.gz WAAXQZHXKHEAFG-JTBPQFFMSA-N 0 0 451.662 3.126 20 0 JGADRN FC(F)(F)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001302937436 1067510990 /nfs/dbraw/zinc/51/09/90/1067510990.db2.gz NQGSBPXVBIFOIL-CQSZACIVSA-N 0 0 451.371 3.037 20 0 JGADRN FC(F)(F)CN1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCSC2)CC1 ZINC001302937670 1067511059 /nfs/dbraw/zinc/51/10/59/1067511059.db2.gz OKVOPSZCZKGMHQ-SFHVURJKSA-N 0 0 454.566 3.482 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H]2CSCCS2)cc1 ZINC001304432535 1067511107 /nfs/dbraw/zinc/51/11/07/1067511107.db2.gz BQHADQDFKNNABR-LAUBAEHRSA-N 0 0 463.698 3.429 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCN(C)CC(F)(F)F)cc1 ZINC001304432493 1067511171 /nfs/dbraw/zinc/51/11/71/1067511171.db2.gz AXUBFMDITJSYPV-AEFFLSMTSA-N 0 0 482.576 3.088 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H]4CCC(=O)N[C@@H]4C3)n2CCN(C)CC(F)(F)F)cc1 ZINC001304432495 1067511191 /nfs/dbraw/zinc/51/11/91/1067511191.db2.gz AXUBFMDITJSYPV-SJLPKXTDSA-N 0 0 482.576 3.088 20 0 JGADRN FC(F)(F)CN1CCN(c2nnc(CCOc3ccccc3)n2CCc2ccccn2)CC1 ZINC001302937920 1067511287 /nfs/dbraw/zinc/51/12/87/1067511287.db2.gz QGXSRGPUQXWGLF-UHFFFAOYSA-N 0 0 460.504 3.222 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2([S@@](C)=O)CC2)cc1 ZINC001304432623 1067511439 /nfs/dbraw/zinc/51/14/39/1067511439.db2.gz ZUAKSKWLHTWELO-WJOKGBTCSA-N 0 0 463.673 3.141 20 0 JGADRN CC(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001302937979 1067511653 /nfs/dbraw/zinc/51/16/53/1067511653.db2.gz NUFXPZBUBOTVRD-SFTDATJTSA-N 0 0 475.659 3.193 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2nnc(C(C)(C)C)s2)cc1 ZINC001304432853 1067511937 /nfs/dbraw/zinc/51/19/37/1067511937.db2.gz HWTRHDTVLCRXRH-HNNXBMFYSA-N 0 0 471.656 3.388 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001302939073 1067512452 /nfs/dbraw/zinc/51/24/52/1067512452.db2.gz AJHUBRQEWVTWFT-SFHVURJKSA-N 0 0 451.493 3.002 20 0 JGADRN Cc1noc(C2CCN(c3nnc(CSc4ccc(C)cc4)n3CC(=O)NC(C)C)CC2)n1 ZINC001304433494 1067512556 /nfs/dbraw/zinc/51/25/56/1067512556.db2.gz FWUZORQAIXDIJU-UHFFFAOYSA-N 0 0 469.615 3.479 20 0 JGADRN FC(F)(F)CN1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001302938806 1067512558 /nfs/dbraw/zinc/51/25/58/1067512558.db2.gz YUMLCOIEIJAQFG-GFCCVEGCSA-N 0 0 484.470 3.380 20 0 JGADRN CC(C)Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001302939380 1067513032 /nfs/dbraw/zinc/51/30/32/1067513032.db2.gz XXFFBHTVFSUAPV-MRXNPFEDSA-N 0 0 462.561 3.464 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCCN(C)CC(F)(F)F)cc1 ZINC001304433991 1067513156 /nfs/dbraw/zinc/51/31/56/1067513156.db2.gz RZGUJIKWOJSWGT-MJGOQNOKSA-N 0 0 496.603 3.478 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1Cc1ccc(Cl)nc1 ZINC001302939596 1067513410 /nfs/dbraw/zinc/51/34/10/1067513410.db2.gz GTXXZKUNXXNAIZ-UHFFFAOYSA-N 0 0 454.962 3.241 20 0 JGADRN FC(F)(F)CN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001302939450 1067513441 /nfs/dbraw/zinc/51/34/41/1067513441.db2.gz WXJNMRCEFDETGL-AWEZNQCLSA-N 0 0 451.465 3.039 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCOCC(F)(F)C(F)F)cc1 ZINC001304434309 1067513596 /nfs/dbraw/zinc/51/35/96/1067513596.db2.gz LIVHGXIAMKDWJQ-HNNXBMFYSA-N 0 0 489.539 3.463 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CCCOC[C@H]1CCCO1 ZINC001302939809 1067513771 /nfs/dbraw/zinc/51/37/71/1067513771.db2.gz LDHAUVCIXNUYTJ-LJQANCHMSA-N 0 0 491.583 3.303 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001302940116 1067514186 /nfs/dbraw/zinc/51/41/86/1067514186.db2.gz SLZXFTIAJIQNOK-UHFFFAOYSA-N 0 0 492.502 3.416 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccc(-n2ccnc2)c(F)c1 ZINC001302940211 1067514217 /nfs/dbraw/zinc/51/42/17/1067514217.db2.gz WNMJZBRAOYFOOG-UHFFFAOYSA-N 0 0 453.566 3.154 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC2(C)CCOCC2)cc1 ZINC001304434971 1067514206 /nfs/dbraw/zinc/51/42/06/1067514206.db2.gz XLXCVXQJNFHNMT-UHFFFAOYSA-N 0 0 493.699 3.214 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2[C@@H]2C[C@H]2CF)cc1 ZINC001304434949 1067514253 /nfs/dbraw/zinc/51/42/53/1067514253.db2.gz WZLVDUZYICDMTL-PKOBYXMFSA-N 0 0 467.636 3.175 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCN3CCOCC3)n2C[C@H]2CCO[C@H](C)C2)cc1 ZINC001304435128 1067514595 /nfs/dbraw/zinc/51/45/95/1067514595.db2.gz RZJFWSVYLLXTLV-RTWAWAEBSA-N 0 0 459.660 3.462 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001302940300 1067514549 /nfs/dbraw/zinc/51/45/49/1067514549.db2.gz YYHXJAAUMAFPKB-UHFFFAOYSA-N 0 0 485.633 3.139 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1CCCc1cnn(C)c1 ZINC001302940323 1067514749 /nfs/dbraw/zinc/51/47/49/1067514749.db2.gz ZKJMEHGVWAFTMM-UHFFFAOYSA-N 0 0 470.021 3.459 20 0 JGADRN FC(F)(F)CSCCn1c(-c2cnccn2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001302941145 1067515571 /nfs/dbraw/zinc/51/55/71/1067515571.db2.gz JKGWQGDDTHHRTR-UHFFFAOYSA-N 0 0 452.510 3.144 20 0 JGADRN FC(F)(F)OCCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001302942713 1067515861 /nfs/dbraw/zinc/51/58/61/1067515861.db2.gz FFDPRWCGKQQEFS-ZDUSSCGKSA-N 0 0 476.887 3.200 20 0 JGADRN CCn1cc(CNC(=O)c2ccccc2OCc2ccccc2Br)c(=O)[nH]c1=O ZINC001302942241 1067515927 /nfs/dbraw/zinc/51/59/27/1067515927.db2.gz XTKGLBGMFIBIBN-UHFFFAOYSA-N 0 0 458.312 3.240 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)cc1 ZINC001304437102 1067516213 /nfs/dbraw/zinc/51/62/13/1067516213.db2.gz AFTPCPBDSPSDHC-DEOSSOPVSA-N 0 0 489.642 3.087 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001302943354 1067516240 /nfs/dbraw/zinc/51/62/40/1067516240.db2.gz FGPAQBRBGFWWHD-UHFFFAOYSA-N 0 0 465.524 3.277 20 0 JGADRN Cc1cc(Cn2c(CSc3ccc(C)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cs1 ZINC001304437100 1067516306 /nfs/dbraw/zinc/51/63/06/1067516306.db2.gz MAHCFCNEVDYSGR-UHFFFAOYSA-N 0 0 477.681 3.379 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001304437426 1067516542 /nfs/dbraw/zinc/51/65/42/1067516542.db2.gz HAIYLKDGLQQSOE-KBMIEXCESA-N 0 0 484.670 3.098 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001304437421 1067516637 /nfs/dbraw/zinc/51/66/37/1067516637.db2.gz HAIYLKDGLQQSOE-CLOONOSVSA-N 0 0 484.670 3.098 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCCO[C@H]2CCOC2)cc1 ZINC001304437483 1067516908 /nfs/dbraw/zinc/51/69/08/1067516908.db2.gz HWXMCBJJPDJADC-PZJWPPBQSA-N 0 0 494.683 3.088 20 0 JGADRN Cc1nnc(CCn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)s1 ZINC001304437499 1067516911 /nfs/dbraw/zinc/51/69/11/1067516911.db2.gz ICEVWYZJEMXMNL-KRWDZBQOSA-N 0 0 471.656 3.373 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001302944060 1067516972 /nfs/dbraw/zinc/51/69/72/1067516972.db2.gz OCERWBDFKMNSRL-UQBPGWFLSA-N 0 0 457.594 3.058 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](C)CC3)n2CCCNS(C)(=O)=O)cc1 ZINC001304437884 1067517517 /nfs/dbraw/zinc/51/75/17/1067517517.db2.gz KLICTYAGIVIQDB-QGZVFWFLSA-N 0 0 451.662 3.445 20 0 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IDHYYGJCHDKARH-FQEVSTJZSA-N 0 0 499.660 3.205 20 0 JGADRN Fc1cccnc1OC1CCN(c2nnc(Cc3cccnc3)n2CCCOC(F)F)CC1 ZINC001302980646 1067545752 /nfs/dbraw/zinc/54/57/52/1067545752.db2.gz WXKBPWXIGQBLSP-UHFFFAOYSA-N 0 0 462.476 3.475 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC2(O)CCCC2)n1 ZINC001304467458 1067546136 /nfs/dbraw/zinc/54/61/36/1067546136.db2.gz MQZKZWUYNDRVFN-SFHVURJKSA-N 0 0 456.591 3.399 20 0 JGADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CC(n3ccnn3)C2)cc1 ZINC001302980932 1067546071 /nfs/dbraw/zinc/54/60/71/1067546071.db2.gz HANMVLGEQZPBJM-UHFFFAOYSA-N 0 0 453.568 3.382 20 0 JGADRN Cc1cc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)n(C)n1 ZINC001304467890 1067546526 /nfs/dbraw/zinc/54/65/26/1067546526.db2.gz VYAYIHIEEPCGIR-UHFFFAOYSA-N 0 0 480.617 3.480 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(O)(Cc4ccc(F)cc4)CC3)n2CCNC(=O)C(C)C)n1 ZINC001304468383 1067546744 /nfs/dbraw/zinc/54/67/44/1067546744.db2.gz BZSLSBQGAMUKPL-UHFFFAOYSA-N 0 0 480.588 3.134 20 0 JGADRN 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ZINC001304480025 1067559627 /nfs/dbraw/zinc/55/96/27/1067559627.db2.gz HQCUGJKQJDZFML-UHFFFAOYSA-N 0 0 451.522 3.422 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC001303002690 1067559997 /nfs/dbraw/zinc/55/99/97/1067559997.db2.gz FTIIMZVEJOARTL-FTJBHMTQSA-N 0 0 469.630 3.282 20 0 JGADRN Cc1cc(CN2CCN(c3nnc(-c4cccc(C)n4)n3CCCN(C)CC(F)(F)F)CC2)no1 ZINC001304480710 1067560046 /nfs/dbraw/zinc/56/00/46/1067560046.db2.gz SLOGKEGNQBZUSA-UHFFFAOYSA-N 0 0 492.550 3.151 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCC2CCOCC2)n1 ZINC001304480807 1067560378 /nfs/dbraw/zinc/56/03/78/1067560378.db2.gz AAQICHLQKSCPRN-FQEVSTJZSA-N 0 0 486.617 3.195 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001303002937 1067560663 /nfs/dbraw/zinc/56/06/63/1067560663.db2.gz KEQUGKCAITVQOD-HSZRJFAPSA-N 0 0 461.010 3.312 20 0 JGADRN Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2Cc2ncnn2C(C)(C)C)c1 ZINC001304480923 1067560690 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20 0 JGADRN Cc1cccc([C@H]2CCCN2c2nnc(C(=O)Nc3ccccn3)n2CCCC(=O)N(C)C)c1 ZINC001304482759 1067562075 /nfs/dbraw/zinc/56/20/75/1067562075.db2.gz LMVBBYDLLYUHCO-HXUWFJFHSA-N 0 0 461.570 3.444 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001303007588 1067562361 /nfs/dbraw/zinc/56/23/61/1067562361.db2.gz KHRXBIWGLACFSV-OAQYLSRUSA-N 0 0 488.029 3.006 20 0 JGADRN CC(C)C[C@H](NCC(F)(F)F)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001303007655 1067562596 /nfs/dbraw/zinc/56/25/96/1067562596.db2.gz TXIVRJPXDFZCRB-CABCVRRESA-N 0 0 450.299 3.385 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@](C)(O)c2cccs2)n1 ZINC001304483622 1067562662 /nfs/dbraw/zinc/56/26/62/1067562662.db2.gz AXFAXMKRDIEMIL-KXBFYZLASA-N 0 0 453.490 3.385 20 0 JGADRN Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2cccc(C)c2)s1 ZINC001304483688 1067562676 /nfs/dbraw/zinc/56/26/76/1067562676.db2.gz RCRVLJKUGMMALT-LPHOPBHVSA-N 0 0 489.671 3.331 20 0 JGADRN Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001304483875 1067563226 /nfs/dbraw/zinc/56/32/26/1067563226.db2.gz XXUOGMIQRDHUOB-YLJYHZDGSA-N 0 0 485.633 3.102 20 0 JGADRN Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCc2ccc(Br)cc2)n1 ZINC001304484532 1067564002 /nfs/dbraw/zinc/56/40/02/1067564002.db2.gz URYDKBLIJPPJGA-UHFFFAOYSA-N 0 0 460.401 3.222 20 0 JGADRN Cc1cccc([C@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCCNC(=O)C(C)C)C2)c1 ZINC001304485627 1067564582 /nfs/dbraw/zinc/56/45/82/1067564582.db2.gz CURGIQAJZAZRLM-NRFANRHFSA-N 0 0 475.597 3.390 20 0 JGADRN Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)n1 ZINC001304485735 1067564588 /nfs/dbraw/zinc/56/45/88/1067564588.db2.gz GZWLSEDGVFUMBJ-UHFFFAOYSA-N 0 0 459.476 3.419 20 0 JGADRN Cc1nccn1CCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304485555 1067564630 /nfs/dbraw/zinc/56/46/30/1067564630.db2.gz PQPGIODKKIAQPF-IBGZPJMESA-N 0 0 466.590 3.347 20 0 JGADRN 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Cc1cccc([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(F)(F)Br)C2)c1 ZINC001304487815 1067566321 /nfs/dbraw/zinc/56/63/21/1067566321.db2.gz OSTJZKBFBWNALD-DZGCQCFKSA-N 0 0 492.390 3.178 20 0 JGADRN Cc1cccc([C@@H]2CCCN2c2nnc(Cc3ccccn3)n2CCS(=O)(=O)NC(C)C)c1 ZINC001304488040 1067566421 /nfs/dbraw/zinc/56/64/21/1067566421.db2.gz RSYCRZXMQZOICX-QFIPXVFZSA-N 0 0 468.627 3.242 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001303011762 1067566453 /nfs/dbraw/zinc/56/64/53/1067566453.db2.gz UWBMRUNXNMDGIU-RXFWQSSRSA-N 0 0 485.677 3.030 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001303012411 1067567032 /nfs/dbraw/zinc/56/70/32/1067567032.db2.gz ZPSPVTBKIHQLEN-DEOSSOPVSA-N 0 0 455.582 3.332 20 0 JGADRN Cc1cccc(CCCn2c(N3CCC[C@@H](NC(=O)C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001304488542 1067567133 /nfs/dbraw/zinc/56/71/33/1067567133.db2.gz KQQFYYCTBXQBNR-YIXXDRMTSA-N 0 0 498.672 3.396 20 0 JGADRN 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481.519 3.001 20 0 JGADRN NC(=O)CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001303044105 1067587769 /nfs/dbraw/zinc/58/77/69/1067587769.db2.gz YJHLNQBYVRKHHY-UHFFFAOYSA-N 0 0 490.992 3.202 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCNC(=O)CC3)n2CCc2csc(C(C)C)n2)c1 ZINC001304511814 1067587852 /nfs/dbraw/zinc/58/78/52/1067587852.db2.gz BWXBAXSCLHGYTR-UHFFFAOYSA-N 0 0 454.600 3.314 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2C[C@@](C)(O)C(C)C)c1 ZINC001304511786 1067587902 /nfs/dbraw/zinc/58/79/02/1067587902.db2.gz BGLSWBUVHCSXQW-JWQCQUIFSA-N 0 0 468.602 3.058 20 0 JGADRN NC(=O)CC1CCN(c2nnc(-c3ccccc3Cl)n2CCn2cc(Br)cn2)CC1 ZINC001303044521 1067588107 /nfs/dbraw/zinc/58/81/07/1067588107.db2.gz VZVYCLOJCJVVKK-UHFFFAOYSA-N 0 0 492.809 3.350 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2OC(F)F)CC1 ZINC001303045093 1067588350 /nfs/dbraw/zinc/58/83/50/1067588350.db2.gz GHDWAJABWIOZNU-UHFFFAOYSA-N 0 0 470.524 3.396 20 0 JGADRN 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Cc1cccc2c1CCN(c1nnc([C@H]3CCS(=O)(=O)C3)n1C[C@](C)(O)CCC(C)C)C2 ZINC001304518075 1067593692 /nfs/dbraw/zinc/59/36/92/1067593692.db2.gz LQMCNQJMJNEUAN-GBXCKJPGSA-N 0 0 460.644 3.239 20 0 JGADRN CC(C)CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 ZINC001303055260 1067593942 /nfs/dbraw/zinc/59/39/42/1067593942.db2.gz FPXYSROXSQUQOQ-OAQYLSRUSA-N 0 0 494.683 3.331 20 0 JGADRN O=C(c1ccsc1)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCO)CC1 ZINC001303055081 1067593950 /nfs/dbraw/zinc/59/39/50/1067593950.db2.gz AYQZUIFECLISKE-UHFFFAOYSA-N 0 0 493.431 3.222 20 0 JGADRN O=C(c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCCCc1ccccc1)N1CCCC1 ZINC001303055089 1067594006 /nfs/dbraw/zinc/59/40/06/1067594006.db2.gz BALUJJJJMMFCCE-UHFFFAOYSA-N 0 0 465.520 3.431 20 0 JGADRN Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C ZINC001304518656 1067594073 /nfs/dbraw/zinc/59/40/73/1067594073.db2.gz CDQCHIXKGNBJAK-MSOLQXFVSA-N 0 0 494.662 3.309 20 0 JGADRN 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CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001305325460 1068546502 /nfs/dbraw/zinc/54/65/02/1068546502.db2.gz HSEPZWORXISYPX-XDHUDOTRSA-N 0 0 453.566 3.306 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001305325364 1068546567 /nfs/dbraw/zinc/54/65/67/1068546567.db2.gz DRVKEVZAQBBNBW-QYXIYQDXSA-N 0 0 461.651 3.054 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CO)CC2)n1CCCOC1CCOCC1 ZINC001303902774 1068546508 /nfs/dbraw/zinc/54/65/08/1068546508.db2.gz YHHCWUKROXUTQJ-SFHVURJKSA-N 0 0 462.566 3.352 20 0 JGADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1(O)CCCCCC1 ZINC001303903001 1068547029 /nfs/dbraw/zinc/54/70/29/1068547029.db2.gz ZXLJGCVHKVMIRP-MSOLQXFVSA-N 0 0 459.566 3.344 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 ZINC001305325965 1068547625 /nfs/dbraw/zinc/54/76/25/1068547625.db2.gz GFBXQHSDLFHJAG-SXTKOZQMSA-N 0 0 459.639 3.168 20 0 JGADRN 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C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(C)COC1 ZINC001303904912 1068549636 /nfs/dbraw/zinc/54/96/36/1068549636.db2.gz GJJZFRNHOGMWIX-OWCLPIDISA-N 0 0 471.023 3.366 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSC[C@@H]2C)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001303905388 1068550054 /nfs/dbraw/zinc/55/00/54/1068550054.db2.gz OCFRUIAOVIJTHI-ULQDDVLXSA-N 0 0 468.620 3.324 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC1([S@@](C)=O)CCC1 ZINC001303905455 1068550516 /nfs/dbraw/zinc/55/05/16/1068550516.db2.gz PTVYLHNFRCDBBL-MRZJBTPZSA-N 0 0 450.580 3.472 20 0 JGADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@H]1CCCCS1(=O)=O ZINC001303905419 1068550568 /nfs/dbraw/zinc/55/05/68/1068550568.db2.gz OWEOCPDEXVKOMX-RGCFKVTRSA-N 0 0 454.543 3.319 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCSC2)n1CCNC(=O)c1ccn[nH]1 ZINC001303905552 1068550581 /nfs/dbraw/zinc/55/05/81/1068550581.db2.gz RXSCLKUAAJPBMQ-HOCLYGCPSA-N 0 0 476.006 3.166 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001305327394 1068550697 /nfs/dbraw/zinc/55/06/97/1068550697.db2.gz LOXCNWHWZWPUOU-FFUKXMTKSA-N 0 0 452.603 3.471 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001305327740 1068551181 /nfs/dbraw/zinc/55/11/81/1068551181.db2.gz PEMRNPIXAWZQEM-KBMIEXCESA-N 0 0 454.619 3.366 20 0 JGADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCCO2)n1CCNC(=O)c1ccn[nH]1 ZINC001303906099 1068551688 /nfs/dbraw/zinc/55/16/88/1068551688.db2.gz BLDSJSACPHXSRN-VQIMIIECSA-N 0 0 487.992 3.230 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001305328201 1068551780 /nfs/dbraw/zinc/55/17/80/1068551780.db2.gz QFMQFZQYQBSROE-YGJVYZRNSA-N 0 0 461.010 3.436 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001305328504 1068552256 /nfs/dbraw/zinc/55/22/56/1068552256.db2.gz DUDCHBUIUHXRHL-VNBZBWLYSA-N 0 0 460.526 3.138 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC001305328806 1068552645 /nfs/dbraw/zinc/55/26/45/1068552645.db2.gz QEYRMEFFLRWCHV-HRFSGMKKSA-N 0 0 493.656 3.448 20 0 JGADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC1(O)CCCC1 ZINC001303906717 1068552647 /nfs/dbraw/zinc/55/26/47/1068552647.db2.gz MONVIDQMBKEKGS-MRXNPFEDSA-N 0 0 483.034 3.390 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305329131 1068552716 /nfs/dbraw/zinc/55/27/16/1068552716.db2.gz QREJXQXLOKBDQX-HJPURHCSSA-N 0 0 459.595 3.026 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001305328967 1068553124 /nfs/dbraw/zinc/55/31/24/1068553124.db2.gz FTZLTSRNDJHLHZ-YADARESESA-N 0 0 475.659 3.162 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N(CC)Cc1nc2ccsc2c(=O)[nH]1 ZINC001305329163 1068553148 /nfs/dbraw/zinc/55/31/48/1068553148.db2.gz QXMWDPLJQMDJHF-JLCFBVMHSA-N 0 0 470.603 3.213 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2nccs2)n1CC(=O)N1CCOCC1 ZINC001303906800 1068553347 /nfs/dbraw/zinc/55/33/47/1068553347.db2.gz NRGUJKZCLWRCCQ-INIZCTEOSA-N 0 0 491.017 3.066 20 0 JGADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@H]1COCCO1 ZINC001303906941 1068553363 /nfs/dbraw/zinc/55/33/63/1068553363.db2.gz OOWWHCOYCGVPJN-FCEWJHQRSA-N 0 0 450.967 3.491 20 0 JGADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2nccs2)n1CC(=O)N1CCOCC1 ZINC001303906801 1068553378 /nfs/dbraw/zinc/55/33/78/1068553378.db2.gz NRGUJKZCLWRCCQ-MRXNPFEDSA-N 0 0 491.017 3.066 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC ZINC001305329212 1068553768 /nfs/dbraw/zinc/55/37/68/1068553768.db2.gz RGGSDSPXHRLNKL-RHGYRFJNSA-N 0 0 475.659 3.493 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CC(F)(F)CO1 ZINC001303907094 1068553915 /nfs/dbraw/zinc/55/39/15/1068553915.db2.gz QLOYNIZEEZNTFR-QFBILLFUSA-N 0 0 485.963 3.264 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCCn1cccn1 ZINC001303907287 1068554353 /nfs/dbraw/zinc/55/43/53/1068554353.db2.gz SUEZHAASBCTEPW-SJORKVTESA-N 0 0 457.966 3.025 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001303907302 1068554379 /nfs/dbraw/zinc/55/43/79/1068554379.db2.gz TYTCXHLNJUAGGS-FRQCXROJSA-N 0 0 461.994 3.459 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cnccn2)n1C[C@@]1(O)CCSC1 ZINC001303907312 1068554465 /nfs/dbraw/zinc/55/44/65/1068554465.db2.gz UAVLQDHZQPJWGX-AOMKIAJQSA-N 0 0 475.018 3.408 20 0 JGADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCn2cccn2)n1CC1CCS(=O)(=O)CC1 ZINC001303907555 1068554991 /nfs/dbraw/zinc/55/49/91/1068554991.db2.gz WFNXZWRLBUMIGB-QGZVFWFLSA-N 0 0 493.033 3.229 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001305330206 1068555247 /nfs/dbraw/zinc/55/52/47/1068555247.db2.gz XHZZXOCHANAZPJ-CLOONOSVSA-N 0 0 464.618 3.377 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001305330466 1068555772 /nfs/dbraw/zinc/55/57/72/1068555772.db2.gz VMGUSIMTGOXVNT-ATLLOTDBSA-N 0 0 452.603 3.326 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@H]2C)n1CC1(O)CCS(=O)(=O)CC1 ZINC001303908955 1068555887 /nfs/dbraw/zinc/55/58/87/1068555887.db2.gz HGBMXSZFCZVSLT-BBWFWOEESA-N 0 0 483.034 3.246 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001305330479 1068556279 /nfs/dbraw/zinc/55/62/79/1068556279.db2.gz VNXJXTBVBMERQX-BXKMTCNYSA-N 0 0 454.550 3.058 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001305330470 1068556297 /nfs/dbraw/zinc/55/62/97/1068556297.db2.gz VMGUSIMTGOXVNT-RPPIVITFSA-N 0 0 452.603 3.326 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001305330718 1068556730 /nfs/dbraw/zinc/55/67/30/1068556730.db2.gz YTOZZKXPWYFEFH-MBSHLRGSSA-N 0 0 455.559 3.141 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1F)C1CC1 ZINC001305331092 1068557749 /nfs/dbraw/zinc/55/77/49/1068557749.db2.gz UWHYZPOSMMOCEX-YGJVYZRNSA-N 0 0 482.597 3.425 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H](OC)C1 ZINC001305331419 1068557766 /nfs/dbraw/zinc/55/77/66/1068557766.db2.gz WPXIVFGAQYXQSA-QJMRKGMQSA-N 0 0 468.602 3.258 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001305330940 1068557916 /nfs/dbraw/zinc/55/79/16/1068557916.db2.gz CDQPILYMUJIBAS-ZHSNQQFMSA-N 0 0 461.632 3.072 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2OC)CC1 ZINC001305331190 1068557931 /nfs/dbraw/zinc/55/79/31/1068557931.db2.gz ZLLZWMQGRIIKNO-CLOONOSVSA-N 0 0 452.603 3.416 20 0 JGADRN C[S@@](=O)(=NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC001303910118 1068558017 /nfs/dbraw/zinc/55/80/17/1068558017.db2.gz DYHYZDFLKUMLDI-DEOSSOPVSA-N 0 0 451.408 3.075 20 0 JGADRN 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/nfs/dbraw/zinc/26/40/29/1065264029.db2.gz ATUFQZJSYLHCLE-GJZGRUSLSA-N 0 0 483.432 3.387 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CCOC[C@H]3C)n2CC[C@@H]2CCOC2)c1 ZINC001299974563 1065264907 /nfs/dbraw/zinc/26/49/07/1065264907.db2.gz WRGARXSBSRJZRJ-HUUCEWRRSA-N 0 0 451.365 3.368 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ncccc2C)c1 ZINC001299974442 1065265110 /nfs/dbraw/zinc/26/51/10/1065265110.db2.gz WFRBYBLYBDQSPJ-OAHLLOKOSA-N 0 0 485.386 3.135 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CCC[C@H](OCC4CC4)C3)n2CC(=O)N(C)C)c1 ZINC001299974715 1065266138 /nfs/dbraw/zinc/26/61/38/1065266138.db2.gz GNRWQRHRQXDBNL-KRWDZBQOSA-N 0 0 492.418 3.200 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CCC[C@H](C)CC3)n2C[C@]2(O)CCOC2)c1 ZINC001299974724 1065266719 /nfs/dbraw/zinc/26/67/19/1065266719.db2.gz GSPMPBWIPHTLPV-YCRPNKLZSA-N 0 0 465.392 3.494 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCC[C@@H]2OC)c1 ZINC001299974876 1065266829 /nfs/dbraw/zinc/26/68/29/1065266829.db2.gz IEOZNJSKTWBRBI-VCBZYWHSSA-N 0 0 492.418 3.233 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2[C@@H]2C[C@H]2CF)c1 ZINC001299974979 1065267689 /nfs/dbraw/zinc/26/76/89/1065267689.db2.gz JQCJUUHYYSXMRC-PMUMKWKESA-N 0 0 466.355 3.352 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CC[C@H](OC)C3)n2Cc2ccc(OC)nc2)c1 ZINC001299975046 1065267865 /nfs/dbraw/zinc/26/78/65/1065267865.db2.gz GIFVKEMNFVJJEV-INIZCTEOSA-N 0 0 474.359 3.393 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CC[C@H]2CCOC2)c1 ZINC001299975340 1065268947 /nfs/dbraw/zinc/26/89/47/1065268947.db2.gz NZOHWCUZNCDLBN-DLBZAZTESA-N 0 0 492.418 3.248 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CCC[C@H](OC)C3)n2C[C@@]2(O)CCSC2)c1 ZINC001299975499 1065269408 /nfs/dbraw/zinc/26/94/08/1065269408.db2.gz PGSMSWZORMIAOS-YWZLYKJASA-N 0 0 483.432 3.199 20 0 JGADRN COc1ccc(Br)c(CN(C)c2nnc(-c3cccn3C)n2C[C@@]2(OC)CCOC2)c1 ZINC001299975493 1065269837 /nfs/dbraw/zinc/26/98/37/1065269837.db2.gz OMEUHEAWQIXNQO-QFIPXVFZSA-N 0 0 490.402 3.497 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CC[C@H](OC)C3)n2C[C@H]2CCCOC2)c1 ZINC001299975691 1065270278 /nfs/dbraw/zinc/27/02/78/1065270278.db2.gz RULPEODZORGTHK-ZBFHGGJFSA-N 0 0 451.365 3.368 20 0 JGADRN COc1ccc(Br)c(-c2nnc(Nc3ccn(C)n3)n2CCCNC(=O)C(C)C)c1 ZINC001299975826 1065270871 /nfs/dbraw/zinc/27/08/71/1065270871.db2.gz TWROPLZOYLSNAB-UHFFFAOYSA-N 0 0 476.379 3.356 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001299975835 1065270955 /nfs/dbraw/zinc/27/09/55/1065270955.db2.gz UCDMJLAQDHYNET-ASKKUZCQSA-N 0 0 479.419 3.474 20 0 JGADRN COc1ccc(Br)c(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@H]2CCC(=O)N2)c1 ZINC001299976116 1065271833 /nfs/dbraw/zinc/27/18/33/1065271833.db2.gz WPFWODMPNANYBZ-QRQCRPRQSA-N 0 0 492.418 3.390 20 0 JGADRN COc1ccc(Br)c(CN(C)c2nnc(CC(C)C)n2CC(=O)NC(C)C)c1 ZINC001299976698 1065273275 /nfs/dbraw/zinc/27/32/75/1065273275.db2.gz QBIKVJMOXAAUCN-UHFFFAOYSA-N 0 0 452.397 3.409 20 0 JGADRN COc1ccc(Br)cc1Cn1c(C(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001299976707 1065273380 /nfs/dbraw/zinc/27/33/80/1065273380.db2.gz QGWZDTRDSLNUJF-JKSUJKDBSA-N 0 0 451.321 3.335 20 0 JGADRN COc1ccc(Br)c(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCOC[C@@H]2OC)c1 ZINC001299976917 1065273508 /nfs/dbraw/zinc/27/35/08/1065273508.db2.gz SZGMHJLEUSRSRM-QINHECLXSA-N 0 0 495.418 3.241 20 0 JGADRN COC(=O)[C@@H]1CN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)C[C@H]1c1ccc(O)cc1 ZINC001299977690 1065273894 /nfs/dbraw/zinc/27/38/94/1065273894.db2.gz BUZZAVCBMNNLED-LSDHHAIUSA-N 0 0 461.305 3.309 20 0 JGADRN COc1ccc(C(C)(C)Cn2c(-c3ccc(C)o3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC001299978209 1065274558 /nfs/dbraw/zinc/27/45/58/1065274558.db2.gz AGSYVGVIZGRVBJ-SFHVURJKSA-N 0 0 488.610 3.465 20 0 JGADRN COc1ccc(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)cc1OC ZINC001299978607 1065275558 /nfs/dbraw/zinc/27/55/58/1065275558.db2.gz GRELKXFQYMGDPS-UHFFFAOYSA-N 0 0 483.617 3.025 20 0 JGADRN COc1ccc(Br)cc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001299978977 1065275841 /nfs/dbraw/zinc/27/58/41/1065275841.db2.gz IFWFDEXFLHQYSD-KXBFYZLASA-N 0 0 465.392 3.463 20 0 JGADRN COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCS[C@@H](C)C2)cc1OC ZINC001299979459 1065277012 /nfs/dbraw/zinc/27/70/12/1065277012.db2.gz NVPNEPRQTIBTMT-INIZCTEOSA-N 0 0 461.632 3.353 20 0 JGADRN COc1ccc(Br)cc1Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCOC1 ZINC001299979647 1065277308 /nfs/dbraw/zinc/27/73/08/1065277308.db2.gz QHAFINJWSGBFJV-SFHVURJKSA-N 0 0 458.360 3.308 20 0 JGADRN COc1ccc(Br)cc1Cn1c(Cc2ccccn2)nnc1N1CCCOCC1 ZINC001299979662 1065277396 /nfs/dbraw/zinc/27/73/96/1065277396.db2.gz QTFQLXUAPPGDTD-UHFFFAOYSA-N 0 0 458.360 3.310 20 0 JGADRN COc1ccc(Br)cc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001299979677 1065277452 /nfs/dbraw/zinc/27/74/52/1065277452.db2.gz RHKAUQDYHHNOMZ-KBXCAEBGSA-N 0 0 478.391 3.041 20 0 JGADRN COc1ccc(Br)cc1Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1C(C)(C)C ZINC001299979789 1065278044 /nfs/dbraw/zinc/27/80/44/1065278044.db2.gz VNFUBOOUWVACNV-OAQYLSRUSA-N 0 0 478.391 3.426 20 0 JGADRN COc1ccc(Br)cc1Cn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001299979936 1065278485 /nfs/dbraw/zinc/27/84/85/1065278485.db2.gz ZTGWNZOBRGXZAO-MRXNPFEDSA-N 0 0 499.413 3.140 20 0 JGADRN COc1ccc([C@H](C)CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001299980320 1065279025 /nfs/dbraw/zinc/27/90/25/1065279025.db2.gz HZYPNQBAJACKQI-WIYYLYMNSA-N 0 0 498.628 3.489 20 0 JGADRN COc1ccc([C@H](C)CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc1 ZINC001299980153 1065279167 /nfs/dbraw/zinc/27/91/67/1065279167.db2.gz FCZIASWSNPGYNF-CTNGQTDRSA-N 0 0 482.629 3.069 20 0 JGADRN COc1ccc([C@H](C)CCn2c(C(=O)N3CCCC3)nnc2N(C)CCn2cccn2)cc1 ZINC001299980558 1065279559 /nfs/dbraw/zinc/27/95/59/1065279559.db2.gz KPSNTEOWPACPJD-LJQANCHMSA-N 0 0 451.575 3.049 20 0 JGADRN COc1ccc([C@H](C)CCn2c(-c3ccc[nH]3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC001299980561 1065279614 /nfs/dbraw/zinc/27/96/14/1065279614.db2.gz KRNFEIGSHGGPOS-GOSISDBHSA-N 0 0 486.642 3.241 20 0 JGADRN COc1ccc(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C)[C@@H]2C)cc1 ZINC001299980902 1065280701 /nfs/dbraw/zinc/28/07/01/1065280701.db2.gz IXMSALLOGWKMIZ-OKZBNKHCSA-N 0 0 478.684 3.497 20 0 JGADRN COc1ccc([C@H](C)CCn2c(C)nnc2N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC001299981362 1065281212 /nfs/dbraw/zinc/28/12/12/1065281212.db2.gz UKOBLNYBGKYQFA-NHCUHLMSSA-N 0 0 468.646 3.312 20 0 JGADRN COc1ccc([C@@H](C)CCn2c(C)nnc2N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC001299981361 1065281276 /nfs/dbraw/zinc/28/12/76/1065281276.db2.gz UKOBLNYBGKYQFA-LEWJYISDSA-N 0 0 468.646 3.312 20 0 JGADRN COc1ccc([C@@H](C)CCn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)F)CC2)cc1 ZINC001299981425 1065281562 /nfs/dbraw/zinc/28/15/62/1065281562.db2.gz VJLVKMKDHZDFGI-KRWDZBQOSA-N 0 0 459.545 3.268 20 0 JGADRN COc1ccc([C@H](C)CCn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)F)CC2)cc1 ZINC001299981426 1065281578 /nfs/dbraw/zinc/28/15/78/1065281578.db2.gz VJLVKMKDHZDFGI-QGZVFWFLSA-N 0 0 459.545 3.268 20 0 JGADRN COc1ccc([C@H](C)CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)OC(C)(C)C2)cc1 ZINC001299981406 1065281650 /nfs/dbraw/zinc/28/16/50/1065281650.db2.gz VBOKLNUHTMAVPC-SQNIBIBYSA-N 0 0 479.647 3.094 20 0 JGADRN COc1ccc(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(C)C)cc1OC ZINC001299982089 1065282712 /nfs/dbraw/zinc/28/27/12/1065282712.db2.gz ZCOQILLMRQBISE-KRWDZBQOSA-N 0 0 464.632 3.267 20 0 JGADRN COc1ccc(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H]2CSC)cc1 ZINC001299981947 1065282740 /nfs/dbraw/zinc/28/27/40/1065282740.db2.gz XCSYZCFYPSMQQD-HKUYNNGSSA-N 0 0 478.684 3.498 20 0 JGADRN COc1ccc([C@@H](C)CCn2c(-c3cnccn3)nnc2N2CCC(CCC(N)=O)CC2)cc1 ZINC001299981845 1065282796 /nfs/dbraw/zinc/28/27/96/1065282796.db2.gz ZIBPPWTXQNHMAE-SFHVURJKSA-N 0 0 463.586 3.419 20 0 JGADRN COc1ccc([C@H](C)CCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 ZINC001299982707 1065283265 /nfs/dbraw/zinc/28/32/65/1065283265.db2.gz BLBRPRSJTCOEOS-QPPBQGQZSA-N 0 0 498.672 3.369 20 0 JGADRN COc1ccc([C@@H](C)CCn2c([C@H]3CCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 ZINC001299983120 1065283830 /nfs/dbraw/zinc/28/38/30/1065283830.db2.gz FVYHKRCIFFKWNO-FPOVZHCZSA-N 0 0 455.603 3.289 20 0 JGADRN COc1ccc([C@H](C)N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCO[C@@H](C)C2)cc1 ZINC001299983221 1065284476 /nfs/dbraw/zinc/28/44/76/1065284476.db2.gz FTXUFAVEGGOJIB-VJANTYMQSA-N 0 0 479.647 3.300 20 0 JGADRN COc1ccc([C@H](C)N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@H]2C(C)C)cc1 ZINC001299983558 1065284963 /nfs/dbraw/zinc/28/49/63/1065284963.db2.gz IILNKPFAYQFCLK-VKRLORBYSA-N 0 0 479.647 3.155 20 0 JGADRN COc1ccc([C@@H](C)CCn2c(Cc3ccncc3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)cc1 ZINC001299983955 1065285342 /nfs/dbraw/zinc/28/53/42/1065285342.db2.gz KVIHZZGKDCKNBP-OFAXGOBFSA-N 0 0 451.571 3.316 20 0 JGADRN COc1ccc([C@H](C)CCn2c(N3CC(=O)N(C)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001299984643 1065286133 /nfs/dbraw/zinc/28/61/33/1065286133.db2.gz QQBDEXHVSPOPDT-BVFVYWQFSA-N 0 0 485.629 3.188 20 0 JGADRN 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Cc1ccc(NC(=O)c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCO[C@@H](C)C2)cc1C ZINC001492250900 1065351201 /nfs/dbraw/zinc/35/12/01/1065351201.db2.gz UNXYKHNJKAGZKG-FPOVZHCZSA-N 0 0 482.629 3.444 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492251004 1065351257 /nfs/dbraw/zinc/35/12/57/1065351257.db2.gz VPLREHXCAKKTIO-HIFRSBDPSA-N 0 0 452.481 3.060 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCC(F)(F)F)cc1C ZINC001492253382 1065353137 /nfs/dbraw/zinc/35/31/37/1065353137.db2.gz FBVBEWNYHCRZAY-MRXNPFEDSA-N 0 0 473.521 3.113 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC4(CCCC4)C3)n2CCCS(C)(=O)=O)cc1C ZINC001492254219 1065353959 /nfs/dbraw/zinc/35/39/59/1065353959.db2.gz JLVAQIGONQAJPD-UHFFFAOYSA-N 0 0 459.616 3.352 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1C ZINC001492254716 1065354445 /nfs/dbraw/zinc/35/44/45/1065354445.db2.gz MYXPFOFBBYSUQD-IAGOWNOFSA-N 0 0 481.569 3.063 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCSC(C)C)cc1C ZINC001492254884 1065354902 /nfs/dbraw/zinc/35/49/02/1065354902.db2.gz PLFIRXLAVDKYGG-HSZRJFAPSA-N 0 0 491.683 3.304 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC2(CS(C)(=O)=O)CC2)cc1C ZINC001492255165 1065355575 /nfs/dbraw/zinc/35/55/75/1065355575.db2.gz RTGGPZNKOSXAIV-QGZVFWFLSA-N 0 0 495.596 3.454 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC(=O)NCC2CC2)cc1C ZINC001492255519 1065355672 /nfs/dbraw/zinc/35/56/72/1065355672.db2.gz USDHGOSNVLQWRP-UHFFFAOYSA-N 0 0 482.629 3.457 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCCC(C)C)cc1C ZINC001492262776 1065356050 /nfs/dbraw/zinc/35/60/50/1065356050.db2.gz AACZVBFVAJGEKF-UHFFFAOYSA-N 0 0 476.647 3.055 20 0 JGADRN Cc1nnsc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001492255617 1065356263 /nfs/dbraw/zinc/35/62/63/1065356263.db2.gz WLBMRPNORQOOMK-UHFFFAOYSA-N 0 0 495.531 3.249 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](Oc4ccccn4)C3)n2CCC(C)(C)O)cc1C ZINC001492255882 1065356279 /nfs/dbraw/zinc/35/62/79/1065356279.db2.gz ZGMAZKUDUZOYFO-HXUWFJFHSA-N 0 0 464.570 3.361 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC2(C)COC2)cc1C ZINC001492262942 1065356696 /nfs/dbraw/zinc/35/66/96/1065356696.db2.gz CEEMKIIKDJXIND-HXUWFJFHSA-N 0 0 482.629 3.172 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2Cc2ncccc2C)cc1C ZINC001492264184 1065356844 /nfs/dbraw/zinc/35/68/44/1065356844.db2.gz FHKYXUGPYQTEFR-NRFANRHFSA-N 0 0 496.637 3.302 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492265425 1065357402 /nfs/dbraw/zinc/35/74/02/1065357402.db2.gz HRLHKKIFRUDHFH-QFQXNSOFSA-N 0 0 484.645 3.295 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H](C)N2CCOCC2)cc1 ZINC001492289103 1065357611 /nfs/dbraw/zinc/35/76/11/1065357611.db2.gz SOPZMFVGBIYYPD-FQEVSTJZSA-N 0 0 454.619 3.115 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@]2(C)CCCO2)cc1C ZINC001492265681 1065358060 /nfs/dbraw/zinc/35/80/60/1065358060.db2.gz BSFKXUMKGLASBI-RXFWQSSRSA-N 0 0 482.629 3.409 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2CC2([S@@](C)=O)CCC2)cc1C ZINC001492265896 1065358759 /nfs/dbraw/zinc/35/87/59/1065358759.db2.gz GQMXCMTZGDJTHE-UUWRZZSWSA-N 0 0 486.686 3.226 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CCOC(C)C)cc1C ZINC001492266038 1065360236 /nfs/dbraw/zinc/36/02/36/1065360236.db2.gz IBPDICJEYKGYOE-UHFFFAOYSA-N 0 0 480.569 3.128 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@]2(C)CCCO2)cc1C ZINC001492266117 1065361073 /nfs/dbraw/zinc/36/10/73/1065361073.db2.gz JWUMKAUPHUAVAY-QHCPKHFHSA-N 0 0 462.545 3.103 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(=O)NC4CCCCC4)CC3)n2CC(C)C)cc1C ZINC001492266205 1065361547 /nfs/dbraw/zinc/36/15/47/1065361547.db2.gz KRMBLZCRGNUWMI-UHFFFAOYSA-N 0 0 495.672 3.374 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2CCCCO2)cc1C ZINC001492267098 1065362282 /nfs/dbraw/zinc/36/22/82/1065362282.db2.gz UPXWDBGIVAUEET-JOCHJYFZSA-N 0 0 482.629 3.411 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN4C(=O)N(CC(C)C)C[C@@H]4C3)n2CCOC(C)C)cc1C ZINC001492267275 1065363474 /nfs/dbraw/zinc/36/34/74/1065363474.db2.gz QVOAPEKDZYKZQE-QFIPXVFZSA-N 0 0 497.644 3.154 20 0 JGADRN Cc1coc(C)c1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001492267248 1065363542 /nfs/dbraw/zinc/36/35/42/1065363542.db2.gz QKVNMHCSVQRYHC-SFHVURJKSA-N 0 0 450.543 3.107 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C)C3)n2CCOc2ccc(Cl)cn2)cc1C ZINC001492273308 1065366163 /nfs/dbraw/zinc/36/61/63/1065366163.db2.gz CIYNKUYOWJIVRT-KRWDZBQOSA-N 0 0 470.961 3.500 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@](C)(O)c2ccco2)cc1C ZINC001492273516 1065366721 /nfs/dbraw/zinc/36/67/21/1065366721.db2.gz FRCHIHODPHUGRY-LVXARBLLSA-N 0 0 497.596 3.278 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCCN2CCOCC2)cc1C ZINC001492273901 1065367301 /nfs/dbraw/zinc/36/73/01/1065367301.db2.gz OZWJKCIZRXZCTC-HSZRJFAPSA-N 0 0 484.645 3.121 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)N2CCOCC2)cc1C ZINC001492274044 1065367859 /nfs/dbraw/zinc/36/78/59/1065367859.db2.gz SNRZYLFZXTYEGA-UNMCSNQZSA-N 0 0 484.645 3.119 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCOC(C)(C)C)cc1C ZINC001492273915 1065367892 /nfs/dbraw/zinc/36/78/92/1065367892.db2.gz PDVFPQSNYBBJFO-RTWAWAEBSA-N 0 0 471.602 3.347 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)C)n3Cc3ncccc3N(C)C)C2)nc1 ZINC001492276322 1065370366 /nfs/dbraw/zinc/37/03/66/1065370366.db2.gz ODIIZLBITHHUHO-LJQANCHMSA-N 0 0 462.602 3.469 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)N3CCOCC3)C2)nc1 ZINC001492277182 1065371960 /nfs/dbraw/zinc/37/19/60/1065371960.db2.gz VDPPJVKJIYAXHU-FGZHOGPDSA-N 0 0 497.688 3.491 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc([C@H]4CCCOC4)n3CCCCCCO)CC2)nc1 ZINC001492280239 1065372524 /nfs/dbraw/zinc/37/25/24/1065372524.db2.gz DVFKQEKMOSNEGV-NRFANRHFSA-N 0 0 470.618 3.283 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc([C@H]4CCCCO4)n3CCSCCCO)CC2)nc1 ZINC001492281589 1065374464 /nfs/dbraw/zinc/37/44/64/1065374464.db2.gz STKZVRSXDJLMAL-HXUWFJFHSA-N 0 0 488.658 3.194 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3CC(=O)NC3CCCCC3)C2)nc1 ZINC001492281806 1065375079 /nfs/dbraw/zinc/37/50/79/1065375079.db2.gz UETFMZBROHBNSS-HXUWFJFHSA-N 0 0 481.645 3.484 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CCCc2c[nH]nc2C)n1 ZINC001492289205 1065375611 /nfs/dbraw/zinc/37/56/11/1065375611.db2.gz WXUTXDJLQAIORR-UHFFFAOYSA-N 0 0 475.601 3.187 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(Cc4ccccc4F)n3CCC(=O)N(C)C)CC2)nc1 ZINC001492283813 1065376579 /nfs/dbraw/zinc/37/65/79/1065376579.db2.gz LURJGTTZWSFHEU-UHFFFAOYSA-N 0 0 493.587 3.045 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nccs2)cc1 ZINC001492284221 1065377074 /nfs/dbraw/zinc/37/70/74/1065377074.db2.gz RGLABRNJWXWEBV-HSZRJFAPSA-N 0 0 470.599 3.207 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2cccs2)cc1 ZINC001492284499 1065377890 /nfs/dbraw/zinc/37/78/90/1065377890.db2.gz XLNBDKCKOOLGJW-UHFFFAOYSA-N 0 0 452.584 3.202 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001492286294 1065378456 /nfs/dbraw/zinc/37/84/56/1065378456.db2.gz AUTPPRIDIKJJRW-GOSISDBHSA-N 0 0 496.616 3.317 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3csc(N4CCOCC4)n3)n2CC(F)(F)F)cc1 ZINC001492286918 1065379157 /nfs/dbraw/zinc/37/91/57/1065379157.db2.gz JBEKEOPOTQJHNZ-UHFFFAOYSA-N 0 0 495.531 3.184 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C2CC2)cc1 ZINC001492286793 1065379303 /nfs/dbraw/zinc/37/93/03/1065379303.db2.gz HNEALCKGIXTURM-IBGZPJMESA-N 0 0 470.574 3.305 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2nccn2C(F)F)cc1 ZINC001492287949 1065381081 /nfs/dbraw/zinc/38/10/81/1065381081.db2.gz UBIQWEQUHHQRBS-INIZCTEOSA-N 0 0 459.501 3.195 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@@H]2CSCCS2)n1 ZINC001492287947 1065381907 /nfs/dbraw/zinc/38/19/07/1065381907.db2.gz IVXBFVVBXAMGNK-HXUWFJFHSA-N 0 0 485.683 3.372 20 0 JGADRN Cc1nc(CCn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)sc1C ZINC001492288093 1065382636 /nfs/dbraw/zinc/38/26/36/1065382636.db2.gz VWTSUCPZHYWDHS-UHFFFAOYSA-N 0 0 464.599 3.378 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCN(C)CC(F)(F)F)cc1 ZINC001492288728 1065383204 /nfs/dbraw/zinc/38/32/04/1065383204.db2.gz OENUDAONZYXQDC-UHFFFAOYSA-N 0 0 475.519 3.141 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(C)C)C2)c1 ZINC001492301971 1065385382 /nfs/dbraw/zinc/38/53/82/1065385382.db2.gz CFQVQTXSXYMOFW-JKSUJKDBSA-N 0 0 471.574 3.329 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(C)C)C2)c1 ZINC001492301970 1065385443 /nfs/dbraw/zinc/38/54/43/1065385443.db2.gz CFQVQTXSXYMOFW-HZPDHXFCSA-N 0 0 471.574 3.329 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)[C@H](C)C2)c1 ZINC001492303605 1065386729 /nfs/dbraw/zinc/38/67/29/1065386729.db2.gz TZLDGFGOVHUXQR-BZUAXINKSA-N 0 0 454.543 3.231 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](C(N)=O)C2)c1 ZINC001492302788 1065386753 /nfs/dbraw/zinc/38/67/53/1065386753.db2.gz NEAFFBKSSJACNY-INIZCTEOSA-N 0 0 456.497 3.308 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC001492304017 1065387310 /nfs/dbraw/zinc/38/73/10/1065387310.db2.gz VYJUQKBASSWLDM-LJQANCHMSA-N 0 0 463.529 3.392 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)c1 ZINC001492303900 1065387347 /nfs/dbraw/zinc/38/73/47/1065387347.db2.gz UIJJZHLOXRNYIG-QZTJIDSGSA-N 0 0 477.556 3.433 20 0 JGADRN Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1Cc1cc(C)ccc1OC(F)F ZINC001492305968 1065388104 /nfs/dbraw/zinc/38/81/04/1065388104.db2.gz PHHURNZADJPRFN-UHFFFAOYSA-N 0 0 490.599 3.362 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCCNC(=O)C(C)C)cc1 ZINC001492340551 1065388822 /nfs/dbraw/zinc/38/88/22/1065388822.db2.gz SSFCPHAFUXOAFB-PKOBYXMFSA-N 0 0 483.535 3.484 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCS(C)(=O)=O)CC2)cc1 ZINC001492311456 1065390462 /nfs/dbraw/zinc/39/04/62/1065390462.db2.gz MCDGIXLVHWCPFU-UHFFFAOYSA-N 0 0 476.002 3.394 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CCc2nccc(C(F)(F)F)n2)cc1C ZINC001492311454 1065390563 /nfs/dbraw/zinc/39/05/63/1065390563.db2.gz LZCFUTRMFPWMLI-INIZCTEOSA-N 0 0 491.518 3.226 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001492312402 1065391216 /nfs/dbraw/zinc/39/12/16/1065391216.db2.gz QESGNIIFGINBIB-XQBPLPMBSA-N 0 0 464.632 3.096 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2Cc2cn3ccsc3n2)cc1 ZINC001492313096 1065391881 /nfs/dbraw/zinc/39/18/81/1065391881.db2.gz UWTWZROPBAKUPP-SJORKVTESA-N 0 0 488.639 3.181 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@@H]4CCCOC4)n3CCNC(=O)C(C)C)CC2)cc1 ZINC001492314006 1065391938 /nfs/dbraw/zinc/39/19/38/1065391938.db2.gz YMGODNLTIJIYQQ-HXUWFJFHSA-N 0 0 455.603 3.301 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@@H]2CCCCS2(=O)=O)cc1C ZINC001492315453 1065392388 /nfs/dbraw/zinc/39/23/88/1065392388.db2.gz AMWFUTTXPDPIJN-ICSRJNTNSA-N 0 0 464.657 3.383 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492317658 1065393690 /nfs/dbraw/zinc/39/36/90/1065393690.db2.gz OVMMHYHLNBNTLN-CTNGQTDRSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2Cc2cnn(C)c2)cc1 ZINC001492322875 1065396049 /nfs/dbraw/zinc/39/60/49/1065396049.db2.gz BZRAUNKPBZWWBB-UHFFFAOYSA-N 0 0 474.491 3.336 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCNC(=O)c2ccn[nH]2)cc1 ZINC001492323278 1065396080 /nfs/dbraw/zinc/39/60/80/1065396080.db2.gz MQUJNDFOJVSZAB-UHFFFAOYSA-N 0 0 480.960 3.003 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001492323299 1065396914 /nfs/dbraw/zinc/39/69/14/1065396914.db2.gz NTNZGGNWORMKER-UHFFFAOYSA-N 0 0 457.600 3.410 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3nccs3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001492325224 1065397484 /nfs/dbraw/zinc/39/74/84/1065397484.db2.gz JWNDBUVUVUDQHN-UHFFFAOYSA-N 0 0 456.616 3.369 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H](C)CN2CCOCC2)cc1 ZINC001492325531 1065397500 /nfs/dbraw/zinc/39/75/00/1065397500.db2.gz OBRKIMMANNSATB-LJQANCHMSA-N 0 0 488.036 3.157 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC(=O)N(C)C)cc1 ZINC001492325210 1065397754 /nfs/dbraw/zinc/39/77/54/1065397754.db2.gz JKSTZUJDVYKLPE-UHFFFAOYSA-N 0 0 451.575 3.194 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2C[C@@H](C(C)C)N2CCOCC2)cc1C ZINC001492326034 1065398233 /nfs/dbraw/zinc/39/82/33/1065398233.db2.gz VJQYXTVICAFQAK-QHCPKHFHSA-N 0 0 468.602 3.455 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2Cc2ncnn2C(C)(C)C)cc1C ZINC001492326376 1065399087 /nfs/dbraw/zinc/39/90/87/1065399087.db2.gz ZGRVHNXPNCYPLA-UHFFFAOYSA-N 0 0 461.574 3.295 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492329181 1065399798 /nfs/dbraw/zinc/39/97/98/1065399798.db2.gz HAEADEFSAIBDKV-NHCUHLMSSA-N 0 0 457.619 3.138 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2C[C@]2(C)COCCO2)cc1C ZINC001492329530 1065399879 /nfs/dbraw/zinc/39/98/79/1065399879.db2.gz LJEUKLOTEKJKML-HSZRJFAPSA-N 0 0 457.600 3.415 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CC[C@H]2COCCO2)cc1C ZINC001492329179 1065399973 /nfs/dbraw/zinc/39/99/73/1065399973.db2.gz HAADWISDBRCKLY-QFIPXVFZSA-N 0 0 474.602 3.115 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3cnccn3)n2Cc2nccn2C(F)F)cc1 ZINC001492331478 1065401575 /nfs/dbraw/zinc/40/15/75/1065401575.db2.gz YOAGYTIERBIPFO-UHFFFAOYSA-N 0 0 454.485 3.274 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001492340747 1065402863 /nfs/dbraw/zinc/40/28/63/1065402863.db2.gz VBKUAVZXZLCHAJ-MOPGFXCFSA-N 0 0 486.617 3.088 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC001492336598 1065403466 /nfs/dbraw/zinc/40/34/66/1065403466.db2.gz HLXPQGBHXGPULT-ISKFKSNPSA-N 0 0 476.643 3.160 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCN2CCOC[C@@H]2C)cc1C ZINC001492336319 1065403527 /nfs/dbraw/zinc/40/35/27/1065403527.db2.gz ADWNOHSBKVJTIP-ZJOUEHCJSA-N 0 0 497.562 3.351 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccncc2Cl)cc1C ZINC001492336470 1065403549 /nfs/dbraw/zinc/40/35/49/1065403549.db2.gz FWBZKXXHAAAENQ-QGZVFWFLSA-N 0 0 454.962 3.238 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)[C@@H](N4CCOCC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001492336569 1065403566 /nfs/dbraw/zinc/40/35/66/1065403566.db2.gz BLYDYQAWTPLKIV-QUCCMNQESA-N 0 0 483.535 3.249 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCc2ccn(C)n2)cc1 ZINC001492338151 1065405990 /nfs/dbraw/zinc/40/59/90/1065405990.db2.gz KEMHDEKCTFIJFD-QFBILLFUSA-N 0 0 464.492 3.298 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)cc1 ZINC001492339753 1065407608 /nfs/dbraw/zinc/40/76/08/1065407608.db2.gz VLMHXDKZRDCDEU-NVQXNPDNSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(-c4cccnc4)n3CCC(=O)N(C)C)C2)cc1 ZINC001492289277 1065408325 /nfs/dbraw/zinc/40/83/25/1065408325.db2.gz YLQILFJFERTDQV-HXUWFJFHSA-N 0 0 490.612 3.165 20 0 JGADRN Cc1ccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@@H]2CCO[C@H](C)C2)cc1C ZINC001492339796 1065408366 /nfs/dbraw/zinc/40/83/66/1065408366.db2.gz VWEVDUJUQZWCCM-WOJBJXKFSA-N 0 0 476.643 3.302 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)cc1 ZINC001492293785 1065408831 /nfs/dbraw/zinc/40/88/31/1065408831.db2.gz DAQSLCMTTQYXNZ-ROUUACIJSA-N 0 0 464.657 3.288 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)cc1 ZINC001492293783 1065408860 /nfs/dbraw/zinc/40/88/60/1065408860.db2.gz DAQSLCMTTQYXNZ-MSOLQXFVSA-N 0 0 464.657 3.288 20 0 JGADRN 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Cc1ccc(OCc2nnc(N3CCC(N4CCCC4=O)CC3)n2CCOC(C)C)cc1C ZINC001492358450 1065419810 /nfs/dbraw/zinc/41/98/10/1065419810.db2.gz ASQDHFKDUAZKOC-UHFFFAOYSA-N 0 0 455.603 3.490 20 0 JGADRN Cc1ccsc1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001492358842 1065420654 /nfs/dbraw/zinc/42/06/54/1065420654.db2.gz DNLGMEMFLHDGSA-UHFFFAOYSA-N 0 0 489.667 3.410 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N4CCNC4=O)CC3)n2CCSCC(F)(F)F)cc1 ZINC001492360569 1065422414 /nfs/dbraw/zinc/42/24/14/1065422414.db2.gz XANZLNIFWGESAO-UHFFFAOYSA-N 0 0 498.575 3.455 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OCCC(C)C)CC3)n2CC(=O)N2CCOCC2)cc1C ZINC001492363960 1065425766 /nfs/dbraw/zinc/42/57/66/1065425766.db2.gz PMRVLHVJJCREQO-UHFFFAOYSA-N 0 0 499.656 3.364 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC4(C3)CCC(F)(F)CC4)n2CCNS(C)(=O)=O)cc1C ZINC001492364768 1065427301 /nfs/dbraw/zinc/42/73/01/1065427301.db2.gz ZRRZQJXCUXCLDO-UHFFFAOYSA-N 0 0 497.612 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492368685 1065428022 /nfs/dbraw/zinc/42/80/22/1065428022.db2.gz GFUQYIGGRITKQE-MOPGFXCFSA-N 0 0 486.617 3.028 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2Cc2ccc(Cl)s2)cc1 ZINC001492391104 1065428040 /nfs/dbraw/zinc/42/80/40/1065428040.db2.gz MOPMIZNCLPGCKH-UHFFFAOYSA-N 0 0 482.031 3.010 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001492367911 1065428084 /nfs/dbraw/zinc/42/80/84/1065428084.db2.gz DMBVWNZBJRYSMK-DLBZAZTESA-N 0 0 472.533 3.379 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@@H]2CC[C@H](C)C2)cc1 ZINC001492391115 1065428172 /nfs/dbraw/zinc/42/81/72/1065428172.db2.gz MUWQSYOPNKGHIS-SLFFLAALSA-N 0 0 461.632 3.072 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492368848 1065428730 /nfs/dbraw/zinc/42/87/30/1065428730.db2.gz HYHFTJVCKINMQA-WAUFSOIDSA-N 0 0 487.670 3.208 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492368687 1065428795 /nfs/dbraw/zinc/42/87/95/1065428795.db2.gz GFUQYIGGRITKQE-RBUKOAKNSA-N 0 0 486.617 3.028 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H]4CCC[C@H]43)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492369213 1065429614 /nfs/dbraw/zinc/42/96/14/1065429614.db2.gz MIXQLIHCPUJEHO-PZJWPPBQSA-N 0 0 461.632 3.181 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CCC(=O)NC(C)(C)C)cc1C ZINC001492369610 1065429653 /nfs/dbraw/zinc/42/96/53/1065429653.db2.gz PCWCDSMXDLSCBY-FQEVSTJZSA-N 0 0 496.656 3.274 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492369621 1065429696 /nfs/dbraw/zinc/42/96/96/1065429696.db2.gz PDDGWKNPPFYGRY-UQBPGWFLSA-N 0 0 455.603 3.068 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCNC(=O)C2CC2)cc1 ZINC001492370048 1065431084 /nfs/dbraw/zinc/43/10/84/1065431084.db2.gz RCMLNFYPFBKBNZ-QGZVFWFLSA-N 0 0 451.493 3.470 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CCCNC(=O)C(C)C)cc1C ZINC001492369999 1065431139 /nfs/dbraw/zinc/43/11/39/1065431139.db2.gz DYKDDBSMWQNHKG-JOCHJYFZSA-N 0 0 496.656 3.227 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001492370278 1065431834 /nfs/dbraw/zinc/43/18/34/1065431834.db2.gz HALIYFXMJDVNAX-SIBVEZHUSA-N 0 0 498.628 3.137 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@]2(C)COCCO2)cc1C ZINC001492370325 1065432742 /nfs/dbraw/zinc/43/27/42/1065432742.db2.gz HXFMOOSHPVNOEU-AJTFRIOCSA-N 0 0 499.656 3.268 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)C2CC2)cc1 ZINC001492370565 1065432786 /nfs/dbraw/zinc/43/27/86/1065432786.db2.gz JRZNRHJFLXCXSU-HXUWFJFHSA-N 0 0 498.628 3.185 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CC[C@@H](F)C2)cc1 ZINC001492370491 1065432897 /nfs/dbraw/zinc/43/28/97/1065432897.db2.gz INTLKAGLKJPSOG-NSHGMRRFSA-N 0 0 450.580 3.317 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@]2(C)COCCO2)cc1 ZINC001492370517 1065432907 /nfs/dbraw/zinc/43/29/07/1065432907.db2.gz UHZWJZCRYXUWGU-OAQYLSRUSA-N 0 0 463.376 3.460 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1 ZINC001492371446 1065436048 /nfs/dbraw/zinc/43/60/48/1065436048.db2.gz RDOLQACRERHBPS-YOSAUDMPSA-N 0 0 455.603 3.318 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC(=O)NC2CCCCC2)cc1 ZINC001492372422 1065438159 /nfs/dbraw/zinc/43/81/59/1065438159.db2.gz ZRINPLRLCRCHFU-QFIPXVFZSA-N 0 0 496.656 3.355 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001492372437 1065438801 /nfs/dbraw/zinc/43/88/01/1065438801.db2.gz ZVSSPEQNTZAISX-NLFFAJNJSA-N 0 0 487.670 3.022 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2[C@@H]2C[C@H]2C(C)C)cc1C ZINC001492376752 1065439888 /nfs/dbraw/zinc/43/98/88/1065439888.db2.gz DUTYTOSYWBPAHS-LEWJYISDSA-N 0 0 461.632 3.163 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@H]2CCC[C@@H]2C)cc1C ZINC001492377479 1065441433 /nfs/dbraw/zinc/44/14/33/1065441433.db2.gz QNFDXUSEXZBKOO-RBBKRZOGSA-N 0 0 496.656 3.083 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@H]2CCC[C@H]2C)cc1C ZINC001492377477 1065441608 /nfs/dbraw/zinc/44/16/08/1065441608.db2.gz QNFDXUSEXZBKOO-IFMALSPDSA-N 0 0 496.656 3.083 20 0 JGADRN Cc1nccn1CCn1c(COc2ccc(C)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001492377619 1065441619 /nfs/dbraw/zinc/44/16/19/1065441619.db2.gz SINRNQGTKBZDEB-UHFFFAOYSA-N 0 0 477.535 3.445 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CCC(=O)NC(C)C)cc1C ZINC001492378169 1065443094 /nfs/dbraw/zinc/44/30/94/1065443094.db2.gz JTJHMYIZSGGDBT-JOCHJYFZSA-N 0 0 465.602 3.464 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCCn2cccn2)cc1C ZINC001492378759 1065443172 /nfs/dbraw/zinc/44/31/72/1065443172.db2.gz OOYDWHQPXAQWBY-QFIPXVFZSA-N 0 0 486.642 3.164 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001492382965 1065445240 /nfs/dbraw/zinc/44/52/40/1065445240.db2.gz GVSPCJKXNPSJIS-VQTJNVASSA-N 0 0 498.628 3.232 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC001492382793 1065445275 /nfs/dbraw/zinc/44/52/75/1065445275.db2.gz DEFAUBWJTHYAPB-WMZHIEFXSA-N 0 0 455.603 3.285 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@](C)(O)c2ccco2)cc1 ZINC001492383032 1065446389 /nfs/dbraw/zinc/44/63/89/1065446389.db2.gz IWEIQVRNTYQDBI-SANMLTNESA-N 0 0 496.612 3.296 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2CCCNC(=O)OC(C)(C)C)cc1C ZINC001492383907 1065449457 /nfs/dbraw/zinc/44/94/57/1065449457.db2.gz CLMIDOWVWWTSFZ-UHFFFAOYSA-N 0 0 498.628 3.200 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCC2(O)CCC2)cc1C ZINC001492384606 1065451399 /nfs/dbraw/zinc/45/13/99/1065451399.db2.gz IKSPRCHTCZIWBO-NRFANRHFSA-N 0 0 469.630 3.472 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C4CCCCC4)C(=O)C3)n2CCC(=O)NC(C)C)cc1C ZINC001492384516 1065451403 /nfs/dbraw/zinc/45/14/03/1065451403.db2.gz HPCCEDVKUHUZMJ-UHFFFAOYSA-N 0 0 496.656 3.370 20 0 JGADRN Cc1nccn1CCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001492384884 1065452140 /nfs/dbraw/zinc/45/21/40/1065452140.db2.gz LNDGKKWPBWOSFM-OAQYLSRUSA-N 0 0 479.629 3.454 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@]2(C)COCCO2)cc1C ZINC001492385340 1065453221 /nfs/dbraw/zinc/45/32/21/1065453221.db2.gz QEOLRCDILLMNJX-XXBNENTESA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2Cc2cnn(C)c2)cc1 ZINC001492385685 1065453771 /nfs/dbraw/zinc/45/37/71/1065453771.db2.gz UOGFXSKOGSCSRA-QGZVFWFLSA-N 0 0 463.508 3.020 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001492340967 1065456517 /nfs/dbraw/zinc/45/65/17/1065456517.db2.gz XFIUUPFEFYSJCD-AZUAARDMSA-N 0 0 497.562 3.432 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@]4(CCCOC4)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492343375 1065457084 /nfs/dbraw/zinc/45/70/84/1065457084.db2.gz BRPOJOMWTILWDH-QFQXNSOFSA-N 0 0 485.629 3.117 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)[C@H]4CCCC[C@@H]43)n2CCCNS(C)(=O)=O)cc1C ZINC001492340976 1065457238 /nfs/dbraw/zinc/45/72/38/1065457238.db2.gz XHUBNHKABCPEHE-NNWRFLSQSA-N 0 0 475.659 3.428 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@]4(CCOC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001492344178 1065458169 /nfs/dbraw/zinc/45/81/69/1065458169.db2.gz KHXLDOHSOKYUIS-LAUBAEHRSA-N 0 0 470.492 3.476 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCN2CCCCC2=O)cc1C ZINC001492344751 1065458832 /nfs/dbraw/zinc/45/88/32/1065458832.db2.gz PXQNZMQXDGRSMV-OYRHEFFESA-N 0 0 455.603 3.490 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCn2cc(Br)cn2)cc1 ZINC001492344970 1065459602 /nfs/dbraw/zinc/45/96/02/1065459602.db2.gz SKFDEEQPNIQULN-IRXDYDNUSA-N 0 0 475.391 3.438 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@]2(O)CCO[C@H]2C)cc1 ZINC001492345266 1065460388 /nfs/dbraw/zinc/46/03/88/1065460388.db2.gz CDEIGYFNWIDLHO-HRAATJIYSA-N 0 0 454.493 3.484 20 0 JGADRN 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471.612 3.003 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492437310 1065492871 /nfs/dbraw/zinc/49/28/71/1065492871.db2.gz WMPXWBQCAJXRPX-SFHVURJKSA-N 0 0 495.696 3.140 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccccc2C)s1 ZINC001492437428 1065493539 /nfs/dbraw/zinc/49/35/39/1065493539.db2.gz AINCREKXKKGDSK-LJQANCHMSA-N 0 0 475.640 3.075 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)(C)C)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001492437537 1065493561 /nfs/dbraw/zinc/49/35/61/1065493561.db2.gz CMJKKLMDSZRTBD-JGCGQSQUSA-N 0 0 497.731 3.137 20 0 JGADRN Cc1ccsc1CCn1c([C@H]2CCCO2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001492437513 1065493686 /nfs/dbraw/zinc/49/36/86/1065493686.db2.gz BQYYAJHOIJGWKO-HXUWFJFHSA-N 0 0 489.667 3.465 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCOC3)nnc2N2C[C@@H](C)CC(C)(C)C2)s1 ZINC001492437413 1065493759 /nfs/dbraw/zinc/49/37/59/1065493759.db2.gz AFXYTKMOWPNXIL-WMZOPIPTSA-N 0 0 481.688 3.393 20 0 JGADRN 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ZINC001492452753 1065504136 /nfs/dbraw/zinc/50/41/36/1065504136.db2.gz JFCKNWRODGEINY-SBUREZEXSA-N 0 0 455.584 3.046 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H]2COCCO2)cc1 ZINC001492453756 1065504715 /nfs/dbraw/zinc/50/47/15/1065504715.db2.gz RMMYCQVDPIPFEH-BQFCYCMXSA-N 0 0 472.533 3.450 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCNS(C)(=O)=O)n2C[C@@H]2CC[C@H](F)C2)cc1 ZINC001492454706 1065505027 /nfs/dbraw/zinc/50/50/27/1065505027.db2.gz YXEWNZJRZNIZAG-SJORKVTESA-N 0 0 455.625 3.002 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001492454591 1065505172 /nfs/dbraw/zinc/50/51/72/1065505172.db2.gz YGJFLMXILCNUPW-OAHLLOKOSA-N 0 0 457.522 3.173 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001492454820 1065505581 /nfs/dbraw/zinc/50/55/81/1065505581.db2.gz ZTSPCBMSZPTIQS-MSOLQXFVSA-N 0 0 488.658 3.459 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001492456464 1065506417 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RWOSSJXWPURESJ-RUZDIDTESA-N 0 0 486.686 3.095 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H]2CC=CCO2)cc1 ZINC001492460001 1065507999 /nfs/dbraw/zinc/50/79/99/1065507999.db2.gz MSGWMFYCLGOQPO-SFHVURJKSA-N 0 0 462.641 3.237 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@]2(O)CCSC2)cc1 ZINC001492460065 1065508045 /nfs/dbraw/zinc/50/80/45/1065508045.db2.gz NUKNJZUQONXRTJ-DEOSSOPVSA-N 0 0 489.711 3.488 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC4(C3)CCOCC4)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001492460373 1065509302 /nfs/dbraw/zinc/50/93/02/1065509302.db2.gz WIXCSQOJPXIKGE-UHFFFAOYSA-N 0 0 493.699 3.214 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001492461449 1065509727 /nfs/dbraw/zinc/50/97/27/1065509727.db2.gz DKAWLBMHIZAZER-UGKGYDQZSA-N 0 0 496.724 3.150 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001492461444 1065509849 /nfs/dbraw/zinc/50/98/49/1065509849.db2.gz DKAWLBMHIZAZER-KNQAVFIVSA-N 0 0 496.724 3.150 20 0 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Cc1ccc(SCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN(C)CC(F)(F)F)cc1 ZINC001492465971 1065513241 /nfs/dbraw/zinc/51/32/41/1065513241.db2.gz RAFCSKVLRKSBAH-INIZCTEOSA-N 0 0 470.565 3.075 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(F)F)CC3)n2CC2(CS(C)(=O)=O)CC2)cc1 ZINC001492467233 1065514167 /nfs/dbraw/zinc/51/41/67/1065514167.db2.gz ADLUDXPWMYQBED-UHFFFAOYSA-N 0 0 499.653 3.091 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@H]2COCCO2)cc1 ZINC001492467224 1065514266 /nfs/dbraw/zinc/51/42/66/1065514266.db2.gz AAXBZGJBLUTSIS-MSOLQXFVSA-N 0 0 485.576 3.367 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2CCCC(=O)N(C)C)cc1 ZINC001492467637 1065514984 /nfs/dbraw/zinc/51/49/84/1065514984.db2.gz IOFCQXLTNQWJML-VWLOTQADSA-N 0 0 497.669 3.233 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCn4cc(C(F)(F)F)nc4C3)n2CC(=O)N(C)C)cc1 ZINC001492467821 1065515307 /nfs/dbraw/zinc/51/53/07/1065515307.db2.gz NWMJAAZQLDITLU-UHFFFAOYSA-N 0 0 479.532 3.203 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCC(=O)N(C)C)cc1 ZINC001492467996 1065515397 /nfs/dbraw/zinc/51/53/97/1065515397.db2.gz SGUHITACVQDOLG-MRXNPFEDSA-N 0 0 457.522 3.125 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCS(=O)CC3)n2CCCN(C)CC(F)(F)F)cc1 ZINC001492468418 1065516396 /nfs/dbraw/zinc/51/63/96/1065516396.db2.gz CKRBOLRCUQBDMC-UHFFFAOYSA-N 0 0 475.606 3.332 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCSC(C)(C)C3)n2CC(=O)N2CCOCC2)cc1 ZINC001492468428 1065516562 /nfs/dbraw/zinc/51/65/62/1065516562.db2.gz CRANNZBNDWPXKN-UHFFFAOYSA-N 0 0 461.657 3.069 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](c2ccco2)N(C)C)cc1 ZINC001492468660 1065517032 /nfs/dbraw/zinc/51/70/32/1065517032.db2.gz KPEPJRBYYPYLPI-LJQANCHMSA-N 0 0 475.640 3.010 20 0 JGADRN Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC001492469299 1065518472 /nfs/dbraw/zinc/51/84/72/1065518472.db2.gz GJLNFRAWDDHQEC-HXUWFJFHSA-N 0 0 494.669 3.412 20 0 JGADRN Cc1ccc(SCCn2c(CNC(=O)c3cccs3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC001492469746 1065519019 /nfs/dbraw/zinc/51/90/19/1065519019.db2.gz AJWFNNVURLIFRQ-KRWDZBQOSA-N 0 0 484.651 3.037 20 0 JGADRN Cc1ccc(SCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001492469900 1065519580 /nfs/dbraw/zinc/51/95/80/1065519580.db2.gz VKIQFEZTLHPPSP-RCCFBDPRSA-N 0 0 452.646 3.141 20 0 JGADRN Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCSc1ccc(C)cc1 ZINC001492469880 1065519659 /nfs/dbraw/zinc/51/96/59/1065519659.db2.gz UYWSYRSWTPZPKG-IBGZPJMESA-N 0 0 456.660 3.257 20 0 JGADRN Cc1ccc(SCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)OC2CCCC2)cc1 ZINC001492470148 1065519930 /nfs/dbraw/zinc/51/99/30/1065519930.db2.gz YAMFUTLEFPLZII-HXUWFJFHSA-N 0 0 495.671 3.022 20 0 JGADRN Cc1ccc(SCCn2c(Cc3ccccn3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 ZINC001492470209 1065520138 /nfs/dbraw/zinc/52/01/38/1065520138.db2.gz JULDSNYWPWVQDO-LJQANCHMSA-N 0 0 450.612 3.456 20 0 JGADRN Cc1ccc(SCCn2c(CC3CC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC001492470504 1065520608 /nfs/dbraw/zinc/52/06/08/1065520608.db2.gz QPWQSVFOSPLFGJ-UHFFFAOYSA-N 0 0 463.673 3.097 20 0 JGADRN Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cccc(C)c1 ZINC001492471084 1065521062 /nfs/dbraw/zinc/52/10/62/1065521062.db2.gz DSANSDNZJODDJS-HXUWFJFHSA-N 0 0 456.591 3.161 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001492470924 1065521069 /nfs/dbraw/zinc/52/10/69/1065521069.db2.gz BEEIWXJPDQMFDA-IBGZPJMESA-N 0 0 493.612 3.457 20 0 JGADRN Cc1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001492470868 1065521169 /nfs/dbraw/zinc/52/11/69/1065521169.db2.gz DGSQTGLCJGECDG-UHFFFAOYSA-N 0 0 456.497 3.292 20 0 JGADRN Cc1ccc2c(CCn3c([C@@H]4CCCOC4)nnc3N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c[nH]c2c1 ZINC001492471561 1065522259 /nfs/dbraw/zinc/52/22/59/1065522259.db2.gz QNQMOQFDRPKCCH-CMKODMSKSA-N 0 0 473.643 3.462 20 0 JGADRN Cc1csc([C@H]2CN(c3nnc(C(C)C)n3CCNC(=O)c3cccc(C)c3)CCO2)n1 ZINC001492471603 1065522643 /nfs/dbraw/zinc/52/26/43/1065522643.db2.gz PXHBGIQTRGPGEE-LJQANCHMSA-N 0 0 454.600 3.483 20 0 JGADRN 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Cc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(Cl)s2)c1 ZINC001492478638 1065524909 /nfs/dbraw/zinc/52/49/09/1065524909.db2.gz SGFTZOZDZXKMBN-KRWDZBQOSA-N 0 0 473.002 3.319 20 0 JGADRN Cc1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCNC(=O)c2cccc(C)c2)s1 ZINC001492478844 1065525313 /nfs/dbraw/zinc/52/53/13/1065525313.db2.gz URVDKIGTHJOZFZ-UHFFFAOYSA-N 0 0 461.595 3.404 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCC[C@H]2C)CC[C@H]1C ZINC001300795624 1065525771 /nfs/dbraw/zinc/52/57/71/1065525771.db2.gz PATXLHUCOGAVFI-GEPFMOHWSA-N 0 0 466.424 3.458 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncccc2N(C)C)CC1(C)C ZINC001300795650 1065525838 /nfs/dbraw/zinc/52/58/38/1065525838.db2.gz PDBVWDYIADPBOL-SFHVURJKSA-N 0 0 474.407 3.406 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCCSC)CC1(C)C ZINC001300795689 1065525880 /nfs/dbraw/zinc/52/58/80/1065525880.db2.gz PRSZYVKTXIZFCT-IBGZPJMESA-N 0 0 481.688 3.200 20 0 JGADRN 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/nfs/dbraw/zinc/03/42/94/1066034294.db2.gz OIVXUGGTGOGMGE-INIZCTEOSA-N 0 0 478.525 3.118 20 0 JGADRN COCc1nc(Cn2c([C@@H]3CCCCO3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cs1 ZINC001301210741 1066034433 /nfs/dbraw/zinc/03/44/33/1066034433.db2.gz USUYLZCUHYGIIC-SNPRPXQTSA-N 0 0 461.510 3.327 20 0 JGADRN Cc1cc(C(=O)NC(C)(C)CCN2CCOCC2)c(I)cc1Cl ZINC001301210679 1066034643 /nfs/dbraw/zinc/03/46/43/1066034643.db2.gz CGTDCUYURJCTCL-UHFFFAOYSA-N 0 0 450.748 3.484 20 0 JGADRN CC(C)n1cc(C(=O)N2CCC(c3nc(CNC(=O)OCc4ccccc4)n[nH]3)CC2)cn1 ZINC001301211289 1066034958 /nfs/dbraw/zinc/03/49/58/1066034958.db2.gz IVRDJFZQASSQHE-UHFFFAOYSA-N 0 0 451.531 3.028 20 0 JGADRN CC(C)(CCN1CCOCC1)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001301210830 1066034993 /nfs/dbraw/zinc/03/49/93/1066034993.db2.gz FHOYFVMYQFKDBC-UHFFFAOYSA-N 0 0 455.521 3.175 20 0 JGADRN COCc1nc(Cn2c(CC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001301211124 1066035109 /nfs/dbraw/zinc/03/51/09/1066035109.db2.gz AGLXLHVQDDIGMA-HNNXBMFYSA-N 0 0 450.609 3.231 20 0 JGADRN COCc1nc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cs1 ZINC001301210770 1066035203 /nfs/dbraw/zinc/03/52/03/1066035203.db2.gz VPXCCHUVANTYMV-IAGOWNOFSA-N 0 0 492.646 3.126 20 0 JGADRN COCc1nc(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cs1 ZINC001301212875 1066036584 /nfs/dbraw/zinc/03/65/84/1066036584.db2.gz ODSFBFSGKCOTFB-QGZVFWFLSA-N 0 0 483.516 3.318 20 0 JGADRN COCc1nc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001301213202 1066036671 /nfs/dbraw/zinc/03/66/71/1066036671.db2.gz SAGQKVSVALXTLM-HUUCEWRRSA-N 0 0 460.629 3.403 20 0 JGADRN COCc1nc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001301213242 1066037073 /nfs/dbraw/zinc/03/70/73/1066037073.db2.gz UIJVFEMZWCWSMZ-SFHVURJKSA-N 0 0 499.641 3.409 20 0 JGADRN COCc1nc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(CO)CC2)cs1 ZINC001301214331 1066037330 /nfs/dbraw/zinc/03/73/30/1066037330.db2.gz FBPLCSXULAWHTA-UHFFFAOYSA-N 0 0 457.600 3.334 20 0 JGADRN 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COCc1nocc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001301221365 1066042154 /nfs/dbraw/zinc/04/21/54/1066042154.db2.gz YVJAWAQXPSSXIJ-MRXNPFEDSA-N 0 0 464.448 3.067 20 0 JGADRN COCc1nocc1Cn1c(CC(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC001301223925 1066043976 /nfs/dbraw/zinc/04/39/76/1066043976.db2.gz IUCYZONWAHLKFZ-UHFFFAOYSA-N 0 0 485.585 3.290 20 0 JGADRN COCc1nocc1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001301224541 1066044085 /nfs/dbraw/zinc/04/40/85/1066044085.db2.gz OWIXADKDRMXSQP-HXUWFJFHSA-N 0 0 490.605 3.444 20 0 JGADRN COCc1nocc1Cn1c(COc2ccc(Br)cc2)nnc1N1CCOC[C@H]1C ZINC001301225088 1066044796 /nfs/dbraw/zinc/04/47/96/1066044796.db2.gz FHJAPUDQODUESP-CQSZACIVSA-N 0 0 478.347 3.027 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001301227275 1066046246 /nfs/dbraw/zinc/04/62/46/1066046246.db2.gz HQVFUNVJHLEBDE-MRXNPFEDSA-N 0 0 484.630 3.376 20 0 JGADRN COCc1nocc1Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1cnn(C)c1 ZINC001301227517 1066046889 /nfs/dbraw/zinc/04/68/89/1066046889.db2.gz UVUHLZGIBQNSGN-UHFFFAOYSA-N 0 0 451.531 3.027 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](OC)C(F)(F)F)C1 ZINC001301228518 1066047655 /nfs/dbraw/zinc/04/76/55/1066047655.db2.gz PLVHVUYIYDPYQK-HOTGVXAUSA-N 0 0 470.496 3.146 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnn(C)c2)C1 ZINC001301228865 1066048612 /nfs/dbraw/zinc/04/86/12/1066048612.db2.gz ZCRRWXQAYBJAJX-LJQANCHMSA-N 0 0 451.575 3.182 20 0 JGADRN COCc1nocc1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001301228885 1066048632 /nfs/dbraw/zinc/04/86/32/1066048632.db2.gz ZNSCLSCDVBJFMU-HSZRJFAPSA-N 0 0 477.512 3.416 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(O)CCC2)C1 ZINC001301230176 1066048945 /nfs/dbraw/zinc/04/89/45/1066048945.db2.gz CDDGEUQGWGDNID-IBGZPJMESA-N 0 0 476.021 3.420 20 0 JGADRN COC[C@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC001301230597 1066049360 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ZINC001302016624 1066365641 /nfs/dbraw/zinc/36/56/41/1066365641.db2.gz KJOFOKKTDNHTJR-FHWLQOOXSA-N 0 0 481.732 3.399 20 0 JGADRN COCCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001301538880 1066366420 /nfs/dbraw/zinc/36/64/20/1066366420.db2.gz XUMXUUIQSLFDLJ-ICSRJNTNSA-N 0 0 473.622 3.331 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(c3ccnn3C)CC2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001302017001 1066366663 /nfs/dbraw/zinc/36/66/63/1066366663.db2.gz RVMJNHDLTZYOQD-XUVXKRRUSA-N 0 0 460.623 3.325 20 0 JGADRN COCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001301539053 1066366839 /nfs/dbraw/zinc/36/68/39/1066366839.db2.gz FEVBFECLOXGJHC-GOSISDBHSA-N 0 0 480.656 3.158 20 0 JGADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CSCCS2)C1 ZINC001302017375 1066367207 /nfs/dbraw/zinc/36/72/07/1066367207.db2.gz XGNSBMDIVYUYGU-ICSRJNTNSA-N 0 0 488.727 3.491 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(N)=O)C1 ZINC001302017706 1066367656 /nfs/dbraw/zinc/36/76/56/1066367656.db2.gz ZVOVDFGLROWDGQ-ZDUSSCGKSA-N 0 0 475.018 3.287 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001302017865 1066368119 /nfs/dbraw/zinc/36/81/19/1066368119.db2.gz UHHUYXGLUPEHIF-SFHVURJKSA-N 0 0 492.642 3.059 20 0 JGADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)F)C1 ZINC001302017960 1066368160 /nfs/dbraw/zinc/36/81/60/1066368160.db2.gz PUPYEHYQRCDCLP-QZTJIDSGSA-N 0 0 492.571 3.348 20 0 JGADRN CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C3CCCC3)n2CC2(C(N)=O)CCCC2)C1 ZINC001302018006 1066368218 /nfs/dbraw/zinc/36/82/18/1066368218.db2.gz QXEFCLUWRAALHE-GOSISDBHSA-N 0 0 458.651 3.360 20 0 JGADRN CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(F)cn2)C1 ZINC001302017797 1066368352 /nfs/dbraw/zinc/36/83/52/1066368352.db2.gz OSDDWMCOBUCRBC-QGZVFWFLSA-N 0 0 451.550 3.301 20 0 JGADRN COCCCCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001301541067 1066368571 /nfs/dbraw/zinc/36/85/71/1066368571.db2.gz WDGMKNNPYDFPHK-QFIPXVFZSA-N 0 0 455.603 3.260 20 0 JGADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2nccc(C(F)F)n2)C1 ZINC001302018413 1066368763 /nfs/dbraw/zinc/36/87/63/1066368763.db2.gz UMSWJNGDBDCFIP-DLBZAZTESA-N 0 0 491.587 3.327 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001302018692 1066369774 /nfs/dbraw/zinc/36/97/74/1066369774.db2.gz ZIXQDSRWNPHTJZ-KBMIEXCESA-N 0 0 474.650 3.451 20 0 JGADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)NCc2ccccc2)C1 ZINC001302018834 1066370102 /nfs/dbraw/zinc/37/01/02/1066370102.db2.gz XPMMUNKYCPRECY-NRFANRHFSA-N 0 0 491.640 3.358 20 0 JGADRN CC(C)(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001302019223 1066370785 /nfs/dbraw/zinc/37/07/85/1066370785.db2.gz AASJOINUJJXJNE-IBGZPJMESA-N 0 0 491.583 3.448 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001302019731 1066371169 /nfs/dbraw/zinc/37/11/69/1066371169.db2.gz JUHNWSHCYGRZFW-UHFFFAOYSA-N 0 0 470.593 3.086 20 0 JGADRN CC(C)(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001302019860 1066371527 /nfs/dbraw/zinc/37/15/27/1066371527.db2.gz MOUSHZFQTNMEOT-FQEVSTJZSA-N 0 0 489.064 3.310 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001302019844 1066371758 /nfs/dbraw/zinc/37/17/58/1066371758.db2.gz LVRCTGLTODDARB-CQSZACIVSA-N 0 0 473.528 3.238 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001302020629 1066373085 /nfs/dbraw/zinc/37/30/85/1066373085.db2.gz ZHFQLZLAKOTSPA-UHFFFAOYSA-N 0 0 488.036 3.145 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001302020912 1066373580 /nfs/dbraw/zinc/37/35/80/1066373580.db2.gz NKDRFLMZBATNSQ-UXHICEINSA-N 0 0 459.566 3.306 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001302021045 1066374010 /nfs/dbraw/zinc/37/40/10/1066374010.db2.gz RLGAYMVEBOMTRD-SANMLTNESA-N 0 0 484.645 3.019 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001302020928 1066374127 /nfs/dbraw/zinc/37/41/27/1066374127.db2.gz NUUGDBXFAWKGIB-DEOSSOPVSA-N 0 0 457.644 3.395 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001302021217 1066374580 /nfs/dbraw/zinc/37/45/80/1066374580.db2.gz XRVLFMXXNLESKL-HXUWFJFHSA-N 0 0 487.048 3.276 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1C[C@]1(C)COCCO1 ZINC001302022029 1066375508 /nfs/dbraw/zinc/37/55/08/1066375508.db2.gz AQIWASQNVYGJFG-LJFZDNNRSA-N 0 0 462.566 3.016 20 0 JGADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1 ZINC001302022015 1066375529 /nfs/dbraw/zinc/37/55/29/1066375529.db2.gz QEJKYOMYEYGXBH-RTBURBONSA-N 0 0 481.412 3.474 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001302022222 1066375880 /nfs/dbraw/zinc/37/58/80/1066375880.db2.gz BVNCVPMEQJMUGA-CVDCTZTESA-N 0 0 485.629 3.005 20 0 JGADRN O=C([C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001302022405 1066376247 /nfs/dbraw/zinc/37/62/47/1066376247.db2.gz URJYUBKMJCQULB-UCNVEGJOSA-N 0 0 475.358 3.314 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001302022518 1066376291 /nfs/dbraw/zinc/37/62/91/1066376291.db2.gz DUWKHECRAKHGGT-WWEVIYMKSA-N 0 0 450.624 3.196 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1 ZINC001302022439 1066376315 /nfs/dbraw/zinc/37/63/15/1066376315.db2.gz VXOLETSEXQFTLG-QINHECLXSA-N 0 0 457.340 3.433 20 0 JGADRN O=C(c1c(Br)nc2n1CCC2)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001302022421 1066376496 /nfs/dbraw/zinc/37/64/96/1066376496.db2.gz VDTWYLBOLWYPEF-TZMCWYRMSA-N 0 0 455.150 3.302 20 0 JGADRN CC(C)(C)[C@]1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCSCCCO)CCO1 ZINC001302022760 1066376670 /nfs/dbraw/zinc/37/66/70/1066376670.db2.gz QCUIZKHGKNDGGZ-QHCPKHFHSA-N 0 0 496.699 3.106 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1CCc1cccc(F)c1F ZINC001302023275 1066377710 /nfs/dbraw/zinc/37/77/10/1066377710.db2.gz IEGCWABCQXLCHL-BHIYHBOVSA-N 0 0 450.530 3.386 20 0 JGADRN COCCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 ZINC001301549706 1066377780 /nfs/dbraw/zinc/37/77/80/1066377780.db2.gz GKVOIJFZNRSASS-WOJBJXKFSA-N 0 0 450.624 3.399 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCc1cccc(F)c1F ZINC001302023278 1066378247 /nfs/dbraw/zinc/37/82/47/1066378247.db2.gz IEGCWABCQXLCHL-NEWSRXKRSA-N 0 0 450.530 3.386 20 0 JGADRN COCCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001301551372 1066379162 /nfs/dbraw/zinc/37/91/62/1066379162.db2.gz ZRWLREJREOVESQ-VAMGGRTRSA-N 0 0 462.639 3.054 20 0 JGADRN COCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001301551618 1066379571 /nfs/dbraw/zinc/37/95/71/1066379571.db2.gz GWYVROZSCQHZAE-HNNXBMFYSA-N 0 0 466.355 3.084 20 0 JGADRN COCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001301551834 1066379727 /nfs/dbraw/zinc/37/97/27/1066379727.db2.gz HOCYDUTUFLQIDS-CALCHBBNSA-N 0 0 457.344 3.123 20 0 JGADRN CC(C)Cc1ncc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)s1 ZINC001301552120 1066380148 /nfs/dbraw/zinc/38/01/48/1066380148.db2.gz VUGJHSVEIHTOFF-UHFFFAOYSA-N 0 0 455.628 3.037 20 0 JGADRN COCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC2(CCOCC2)C1 ZINC001301552239 1066380353 /nfs/dbraw/zinc/38/03/53/1066380353.db2.gz NGLKHVUALPEUCZ-UHFFFAOYSA-N 0 0 462.616 3.172 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001302024223 1066380622 /nfs/dbraw/zinc/38/06/22/1066380622.db2.gz LCIFDZOFVHPLEY-VIZSFHNOSA-N 0 0 477.650 3.045 20 0 JGADRN COCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001301552407 1066380839 /nfs/dbraw/zinc/38/08/39/1066380839.db2.gz PDFBDWZYRHFVHD-UHFFFAOYSA-N 0 0 470.803 3.496 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1[C@@H]1C[C@H]1CF ZINC001302024409 1066381408 /nfs/dbraw/zinc/38/14/08/1066381408.db2.gz MJDGGNGNXAGBHJ-GQIGUUNPSA-N 0 0 478.544 3.462 20 0 JGADRN COCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001301552811 1066381824 /nfs/dbraw/zinc/38/18/24/1066381824.db2.gz YBUCOXYJGHGKRM-KSFYIVLOSA-N 0 0 452.502 3.357 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H]([C@H]3CCOC3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001302024465 1066381723 /nfs/dbraw/zinc/38/17/23/1066381723.db2.gz NSFXTVHWEILCPI-RLLQIKCJSA-N 0 0 489.583 3.139 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001302024467 1066381800 /nfs/dbraw/zinc/38/18/00/1066381800.db2.gz NTVUTIGKPGUVNS-CTNGQTDRSA-N 0 0 477.650 3.046 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@]1(C)CCCO1 ZINC001302024635 1066382397 /nfs/dbraw/zinc/38/23/97/1066382397.db2.gz OTYXILLCTNXOGL-DFBJGRDBSA-N 0 0 492.665 3.172 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1C[C@H]1CCO[C@H](C)C1 ZINC001302024805 1066382427 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DBHCJIJLXNAFHW-NNWRFLSQSA-N 0 0 455.603 3.162 20 0 JGADRN COCCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CC[C@H](C)C1 ZINC001301752607 1066682868 /nfs/dbraw/zinc/68/28/68/1066682868.db2.gz XWRAERPHYUUSSI-IPMKNSEASA-N 0 0 479.622 3.007 20 0 JGADRN COCCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CC[C@H](C)C1 ZINC001301752228 1066682897 /nfs/dbraw/zinc/68/28/97/1066682897.db2.gz WXTGWOKKGQQLBQ-DOTOQJQBSA-N 0 0 469.508 3.274 20 0 JGADRN COCCOC[C@H]1CCN(c2nnc(C3CC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001302194838 1066682907 /nfs/dbraw/zinc/68/29/07/1066682907.db2.gz KHSAPDKLRSCPEU-HRAATJIYSA-N 0 0 454.493 3.095 20 0 JGADRN COCCOC[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC001302194992 1066682966 /nfs/dbraw/zinc/68/29/66/1066682966.db2.gz OBTDHGVLMPETOA-HNNXBMFYSA-N 0 0 482.528 3.443 20 0 JGADRN COCCOCc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C)=C(C)C2)cc1 ZINC001302194991 1066682992 /nfs/dbraw/zinc/68/29/92/1066682992.db2.gz OBRQEDCUAAWIOE-UHFFFAOYSA-N 0 0 453.587 3.158 20 0 JGADRN COCCN(c1nnc(-c2cnccn2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CC[C@H](C)C1 ZINC001301752746 1066683670 /nfs/dbraw/zinc/68/36/70/1066683670.db2.gz GXASDYJPCIQWSC-AZUAARDMSA-N 0 0 484.626 3.023 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001302195440 1066684326 /nfs/dbraw/zinc/68/43/26/1066684326.db2.gz HDLDDVJFJLSIHF-GOSISDBHSA-N 0 0 471.989 3.143 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001302196399 1066685872 /nfs/dbraw/zinc/68/58/72/1066685872.db2.gz JGXWNEZKPNXYGG-DNVCBOLYSA-N 0 0 479.984 3.142 20 0 JGADRN COCCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CC[C@@H](C)C1 ZINC001301755169 1066686256 /nfs/dbraw/zinc/68/62/56/1066686256.db2.gz BATNWGHRFSFUOY-WIYYLYMNSA-N 0 0 484.601 3.269 20 0 JGADRN COCCOCc1ccc(Cn2c(N3CCN([C@H](C)c4nc(C)no4)CC3)nnc2C(C)(C)C)cc1 ZINC001302196299 1066686427 /nfs/dbraw/zinc/68/64/27/1066686427.db2.gz VQLPZPOXOAUMGW-LJQANCHMSA-N 0 0 497.644 3.362 20 0 JGADRN COCCOCc1ccc(Cn2c(N3CCN([C@@H](C)c4nc(C)no4)CC3)nnc2C(C)(C)C)cc1 ZINC001302196297 1066686476 /nfs/dbraw/zinc/68/64/76/1066686476.db2.gz VQLPZPOXOAUMGW-IBGZPJMESA-N 0 0 497.644 3.362 20 0 JGADRN COCCOCc1ccc(Cn2c(CC(C)C)nnc2N2CCC3(CCN(C)C3=O)CC2)cc1 ZINC001302196697 1066687100 /nfs/dbraw/zinc/68/71/00/1066687100.db2.gz WFYFNDVZONOMPG-UHFFFAOYSA-N 0 0 469.630 3.137 20 0 JGADRN CC(C)(C)OC(=O)NCC12CCC(CC1)N2C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001302196558 1066687107 /nfs/dbraw/zinc/68/71/07/1066687107.db2.gz BJXBWPORROQZSM-ISKPRUBYSA-N 0 0 456.587 3.050 20 0 JGADRN COCCOC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc3ccccc23)C1 ZINC001302197108 1066687761 /nfs/dbraw/zinc/68/77/61/1066687761.db2.gz ZIKPYFANUZBZPR-KRWDZBQOSA-N 0 0 457.600 3.169 20 0 JGADRN CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC001302196945 1066687821 /nfs/dbraw/zinc/68/78/21/1066687821.db2.gz KSFKFHLXUPYREO-UHFFFAOYSA-N 0 0 459.356 3.351 20 0 JGADRN CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[C@@H](O)C2)[C@H](C)C1 ZINC001301756328 1066688185 /nfs/dbraw/zinc/68/81/85/1066688185.db2.gz IZBPDUPCNMKPPI-HMXCVIKNSA-N 0 0 457.644 3.487 20 0 JGADRN COCCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(C)(C)O)[C@H]1CC[C@@H](C)C1 ZINC001301756685 1066688207 /nfs/dbraw/zinc/68/82/07/1066688207.db2.gz ZTYDYAMGIWVQIL-MSOLQXFVSA-N 0 0 478.663 3.041 20 0 JGADRN COCCOCc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC001302197117 1066688401 /nfs/dbraw/zinc/68/84/01/1066688401.db2.gz ZKGRJIXSNKKCRE-XXBNENTESA-N 0 0 451.571 3.413 20 0 JGADRN COCCOC[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001302197936 1066688856 /nfs/dbraw/zinc/68/88/56/1066688856.db2.gz WCWBZEINZKZXLK-XSLAGTTESA-N 0 0 473.540 3.087 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001302197933 1066688884 /nfs/dbraw/zinc/68/88/84/1066688884.db2.gz WCWBZEINZKZXLK-OWSLCNJRSA-N 0 0 473.540 3.087 20 0 JGADRN CC(=O)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001301757095 1066689601 /nfs/dbraw/zinc/68/96/01/1066689601.db2.gz OWMSUPCNODUCLZ-MSOLQXFVSA-N 0 0 482.576 3.454 20 0 JGADRN COCCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1)[C@H]1CC[C@@H](C)C1 ZINC001301757169 1066689611 /nfs/dbraw/zinc/68/96/11/1066689611.db2.gz KRIKHHFOIVTMPP-QTEQDKRBSA-N 0 0 459.610 3.370 20 0 JGADRN COCCOC[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2c(C)noc2C)C1 ZINC001302198541 1066690082 /nfs/dbraw/zinc/69/00/82/1066690082.db2.gz RCYKFPHYIGGWPU-KRWDZBQOSA-N 0 0 460.966 3.330 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C(N)=O)nc2)C1 ZINC001302198620 1066690785 /nfs/dbraw/zinc/69/07/85/1066690785.db2.gz SDMCGAGARXIXIJ-HXUWFJFHSA-N 0 0 492.624 3.274 20 0 JGADRN COCCOC[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C(N)=O)nc2)C1 ZINC001302198619 1066690802 /nfs/dbraw/zinc/69/08/02/1066690802.db2.gz SDMCGAGARXIXIJ-FQEVSTJZSA-N 0 0 492.624 3.274 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2(O)CCOCC2)C1 ZINC001302198566 1066690836 /nfs/dbraw/zinc/69/08/36/1066690836.db2.gz ROTIBXLIGJEDBR-QGZVFWFLSA-N 0 0 482.984 3.159 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)C1 ZINC001302199298 1066691588 /nfs/dbraw/zinc/69/15/88/1066691588.db2.gz WTMZLLHNNKWGNU-LJQANCHMSA-N 0 0 478.037 3.199 20 0 JGADRN CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2c(C)noc2C)[C@H](C)C1 ZINC001301757643 1066691625 /nfs/dbraw/zinc/69/16/25/1066691625.db2.gz AVYJEODYSSMVTA-GOSISDBHSA-N 0 0 466.586 3.378 20 0 JGADRN CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001301757636 1066691695 /nfs/dbraw/zinc/69/16/95/1066691695.db2.gz ARSQUNGGYPFMGC-AREMUKBSSA-N 0 0 481.597 3.458 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2c(C)noc2C)C1 ZINC001302199795 1066691985 /nfs/dbraw/zinc/69/19/85/1066691985.db2.gz AXERQPCFQWYWCE-QGZVFWFLSA-N 0 0 461.513 3.290 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001302199620 1066692053 /nfs/dbraw/zinc/69/20/53/1066692053.db2.gz AJHSLPIMQUYPBT-IRLDBZIGSA-N 0 0 486.617 3.151 20 0 JGADRN CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(F)(F)Br)CC1 ZINC001301757955 1066692817 /nfs/dbraw/zinc/69/28/17/1066692817.db2.gz DQDXRXRZAJKPPM-UHFFFAOYSA-N 0 0 472.334 3.130 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(Br)cs2)C1 ZINC001302199901 1066692843 /nfs/dbraw/zinc/69/28/43/1066692843.db2.gz CKCNZYSXCLFDIY-HUUCEWRRSA-N 0 0 471.421 3.144 20 0 JGADRN CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)[C@@H](C)C1 ZINC001301758276 1066693289 /nfs/dbraw/zinc/69/32/89/1066693289.db2.gz GBZACPIHDOTVJM-PTLVVNQVSA-N 0 0 455.603 3.284 20 0 JGADRN CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)[C@H](C)C1 ZINC001301758275 1066693316 /nfs/dbraw/zinc/69/33/16/1066693316.db2.gz GBZACPIHDOTVJM-NHCICSSKSA-N 0 0 455.603 3.284 20 0 JGADRN COCCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1)[C@@H]1CC[C@@H](C)C1 ZINC001301758106 1066693353 /nfs/dbraw/zinc/69/33/53/1066693353.db2.gz PZUCRPZRPXTSFZ-MHTWAQMVSA-N 0 0 493.649 3.264 20 0 JGADRN CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001301758347 1066694142 /nfs/dbraw/zinc/69/41/42/1066694142.db2.gz GXHUENUCVVGNKC-HXUWFJFHSA-N 0 0 477.556 3.247 20 0 JGADRN COCCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CC[C@@H](C)C1 ZINC001301758665 1066694549 /nfs/dbraw/zinc/69/45/49/1066694549.db2.gz TVOGECVDJFPBSL-HLAWJBBLSA-N 0 0 452.665 3.477 20 0 JGADRN COCCOC[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001302200763 1066694684 /nfs/dbraw/zinc/69/46/84/1066694684.db2.gz KTAFBDWJEZDEMU-KRWDZBQOSA-N 0 0 476.503 3.215 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)C(C)C)C1 ZINC001302201050 1066695431 /nfs/dbraw/zinc/69/54/31/1066695431.db2.gz OHNVSRSQMLZZFW-FIXDAVPBSA-N 0 0 452.640 3.093 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001302200901 1066695436 /nfs/dbraw/zinc/69/54/36/1066695436.db2.gz MGTMSROFULXIJN-KZNAEPCWSA-N 0 0 473.540 3.183 20 0 JGADRN CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC2)[C@@H](C)C1 ZINC001301759067 1066695769 /nfs/dbraw/zinc/69/57/69/1066695769.db2.gz LUHWERSOATXDHO-AZUAARDMSA-N 0 0 455.603 3.248 20 0 JGADRN CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2c(C)noc2C)[C@H](C)C1 ZINC001301759092 1066695805 /nfs/dbraw/zinc/69/58/05/1066695805.db2.gz MRJNGFMFCNLICK-QGZVFWFLSA-N 0 0 452.559 3.070 20 0 JGADRN CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC2)[C@H](C)C1 ZINC001301759069 1066695873 /nfs/dbraw/zinc/69/58/73/1066695873.db2.gz LUHWERSOATXDHO-QUCCMNQESA-N 0 0 455.603 3.248 20 0 JGADRN COCCOC[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(Cl)cc2OC)C1 ZINC001302201118 1066695940 /nfs/dbraw/zinc/69/59/40/1066695940.db2.gz OURZQCGVASMULD-MJGOQNOKSA-N 0 0 464.994 3.372 20 0 JGADRN 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CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cnc(-c3ccccc3)cc1=O)C2 ZINC001302550573 1067187134 /nfs/dbraw/zinc/18/71/34/1067187134.db2.gz PHKUOCVJVXDPQB-FNLKRUPLSA-N 0 0 452.555 3.205 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCCNc3ccccn3)CC2)no1 ZINC001304145406 1067188360 /nfs/dbraw/zinc/18/83/60/1067188360.db2.gz BSQDQXZNOCZAFB-UHFFFAOYSA-N 0 0 466.590 3.168 20 0 JGADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001304146004 1067188772 /nfs/dbraw/zinc/18/87/72/1067188772.db2.gz VRADTIBROBQKSY-BCASAEOVSA-N 0 0 452.551 3.084 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)Br)cn1 ZINC001302552758 1067188778 /nfs/dbraw/zinc/18/87/78/1067188778.db2.gz KJLYMKQZMVRPJH-UHFFFAOYSA-N 0 0 495.332 3.463 20 0 JGADRN CS[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 ZINC001302552348 1067189396 /nfs/dbraw/zinc/18/93/96/1067189396.db2.gz CEXFBDLNQROKFO-WMZOPIPTSA-N 0 0 451.662 3.436 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(-c3ccccc3F)n2CC2CCS(=O)(=O)CC2)cn1 ZINC001302552730 1067189962 /nfs/dbraw/zinc/18/99/62/1067189962.db2.gz SDUBUBMZHIVXSB-UHFFFAOYSA-N 0 0 472.590 3.459 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CC(C)(C)N3CCOCC3)CC2)c(C)o1 ZINC001304146421 1067190021 /nfs/dbraw/zinc/19/00/21/1067190021.db2.gz FEOZVAVINXECNH-UHFFFAOYSA-N 0 0 486.661 3.196 20 0 JGADRN CS[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001302553226 1067190532 /nfs/dbraw/zinc/19/05/32/1067190532.db2.gz IARZTYXJAYSOEC-IAGOWNOFSA-N 0 0 462.620 3.130 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCc3scnc3C)CC2)no1 ZINC001304146921 1067191268 /nfs/dbraw/zinc/19/12/68/1067191268.db2.gz UVDBZFBUXLGAIJ-UHFFFAOYSA-N 0 0 457.604 3.278 20 0 JGADRN CS[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001302553766 1067191559 /nfs/dbraw/zinc/19/15/59/1067191559.db2.gz JBZLAQHRSGCJDU-CJNGLKHVSA-N 0 0 452.422 3.422 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2CCOCC2)cn1 ZINC001302553587 1067191651 /nfs/dbraw/zinc/19/16/51/1067191651.db2.gz GNZIINPRLMVPIB-FQEVSTJZSA-N 0 0 457.623 3.180 20 0 JGADRN CS[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001302553769 1067191667 /nfs/dbraw/zinc/19/16/67/1067191667.db2.gz JBZLAQHRSGCJDU-XJKSGUPXSA-N 0 0 452.422 3.422 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC4CC4)n3CCCNC(=O)C(C)C)CC2)c(C)o1 ZINC001304147057 1067191867 /nfs/dbraw/zinc/19/18/67/1067191867.db2.gz NBNAPEITOBSSIY-UHFFFAOYSA-N 0 0 470.618 3.002 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)N(C)C)c2)cn1 ZINC001302554230 1067192284 /nfs/dbraw/zinc/19/22/84/1067192284.db2.gz KJRUSGXVSCOYKP-QFIPXVFZSA-N 0 0 477.613 3.472 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC2(O)CCOCC2)cn1 ZINC001302554272 1067192358 /nfs/dbraw/zinc/19/23/58/1067192358.db2.gz LJNFGTIJTWVKCK-UHFFFAOYSA-N 0 0 454.550 3.099 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)cn1 ZINC001302554627 1067192931 /nfs/dbraw/zinc/19/29/31/1067192931.db2.gz NDQODKCTUYVZCW-UHFFFAOYSA-N 0 0 467.578 3.152 20 0 JGADRN Cc1cc(C(=O)NC2CCN(c3nnc(C4CCC4)n3C[C@@H](C)NC(=O)OC(C)(C)C)CC2)no1 ZINC001304147956 1067193578 /nfs/dbraw/zinc/19/35/78/1067193578.db2.gz YHZWYDYOPUWHCM-OAHLLOKOSA-N 0 0 487.605 3.154 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C)C(=O)C2)c(C)o1 ZINC001304149885 1067194742 /nfs/dbraw/zinc/19/47/42/1067194742.db2.gz JGBSMBUULQSPIO-FQRUVTKNSA-N 0 0 481.597 3.431 20 0 JGADRN CS[C@@H](C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001302555889 1067194710 /nfs/dbraw/zinc/19/47/10/1067194710.db2.gz UEAALCKJTIPFTD-INIZCTEOSA-N 0 0 490.655 3.117 20 0 JGADRN CS[C@H](C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001302555891 1067194718 /nfs/dbraw/zinc/19/47/18/1067194718.db2.gz UEAALCKJTIPFTD-MRXNPFEDSA-N 0 0 490.655 3.117 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC2CCS(=O)(=O)CC2)cn1 ZINC001302555635 1067194726 /nfs/dbraw/zinc/19/47/26/1067194726.db2.gz XSIIMHMFRJZHJQ-UHFFFAOYSA-N 0 0 486.617 3.383 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccc3Cl)nnc2N(C)CCN2CCOCC2)c(C)o1 ZINC001304150070 1067195248 /nfs/dbraw/zinc/19/52/48/1067195248.db2.gz KILRWKUJDFFPNI-XMMPIXPASA-N 0 0 474.005 3.484 20 0 JGADRN CN1C(=O)CCC[C@@H]1C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001304151098 1067195744 /nfs/dbraw/zinc/19/57/44/1067195744.db2.gz IOCGVVRZFLAJQY-LJQANCHMSA-N 0 0 457.571 3.188 20 0 JGADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccncc3)nnc2N2CCC(NC(=O)C(C)C)CC2)c(C)o1 ZINC001304150979 1067195809 /nfs/dbraw/zinc/19/58/09/1067195809.db2.gz FDCDECLKAGYLHI-SANMLTNESA-N 0 0 480.613 3.122 20 0 JGADRN CC(C)c1nnc([C@@H]2CN(c3nnc(C4CC4)n3CC(F)(F)CNC(=O)OC(C)(C)C)CCO2)o1 ZINC001302557198 1067195765 /nfs/dbraw/zinc/19/57/65/1067195765.db2.gz HWLNRJVWPMEYAI-HNNXBMFYSA-N 0 0 497.547 3.400 20 0 JGADRN CC(C)c1nnc([C@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CCOCC(F)F)CCO2)o1 ZINC001302557506 1067196337 /nfs/dbraw/zinc/19/63/37/1067196337.db2.gz MGGTUGPXJBAQAC-QGZVFWFLSA-N 0 0 480.491 3.374 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(Cc3cccnc3)n2Cc2ncnn2C(C)(C)C)cn1 ZINC001302557497 1067196369 /nfs/dbraw/zinc/19/63/69/1067196369.db2.gz LXRAGMHLXXOFNT-UHFFFAOYSA-N 0 0 460.590 3.209 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2CC2([S@@](C)=O)CC2)cn1 ZINC001302557228 1067196377 /nfs/dbraw/zinc/19/63/77/1067196377.db2.gz IRYMURRGHROIID-MGBGTMOVSA-N 0 0 472.590 3.457 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c(C)o1 ZINC001304151239 1067196394 /nfs/dbraw/zinc/19/63/94/1067196394.db2.gz GKCDPNZYXUYQEV-ULYRPOKDSA-N 0 0 480.656 3.306 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)N(C)Cc2ccccc2)cn1 ZINC001302557686 1067196964 /nfs/dbraw/zinc/19/69/64/1067196964.db2.gz PTRBQKHFQONMBD-OAQYLSRUSA-N 0 0 463.586 3.338 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)c(C)o1 ZINC001304151489 1067197059 /nfs/dbraw/zinc/19/70/59/1067197059.db2.gz RATZOSRCAVPWPO-RUZDIDTESA-N 0 0 495.605 3.498 20 0 JGADRN CS[C@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001302557788 1067197467 /nfs/dbraw/zinc/19/74/67/1067197467.db2.gz IKWPALVMLLLERH-GOSISDBHSA-N 0 0 494.706 3.449 20 0 JGADRN CS[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001302557731 1067197516 /nfs/dbraw/zinc/19/75/16/1067197516.db2.gz ICMBXSZBVZMJQD-GOEBONIOSA-N 0 0 468.670 3.093 20 0 JGADRN CS[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001302557735 1067197531 /nfs/dbraw/zinc/19/75/31/1067197531.db2.gz ICMBXSZBVZMJQD-ZBFHGGJFSA-N 0 0 468.670 3.093 20 0 JGADRN CC(C)c1ncc(CN(C)c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccs2)cn1 ZINC001302557766 1067197537 /nfs/dbraw/zinc/19/75/37/1067197537.db2.gz QXXRTXDKOANRBO-UHFFFAOYSA-N 0 0 476.610 3.305 20 0 JGADRN CC(C)c1nnc([C@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(F)F)CCO2)o1 ZINC001302557834 1067197549 /nfs/dbraw/zinc/19/75/49/1067197549.db2.gz RXGHMTCLIMUNGJ-MRXNPFEDSA-N 0 0 465.505 3.040 20 0 JGADRN CC(C)c1nnc([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(F)F)CCO2)o1 ZINC001302557831 1067197568 /nfs/dbraw/zinc/19/75/68/1067197568.db2.gz RXGHMTCLIMUNGJ-INIZCTEOSA-N 0 0 465.505 3.040 20 0 JGADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c(C)o1 ZINC001304151904 1067198055 /nfs/dbraw/zinc/19/80/55/1067198055.db2.gz TZNYBUJVICAYAV-AOMKIAJQSA-N 0 0 496.992 3.478 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(-c3c[nH]c4ccccc43)nnc2N(C)[C@H](C)CC(N)=O)c(C)o1 ZINC001304151874 1067198185 /nfs/dbraw/zinc/19/81/85/1067198185.db2.gz TTXMVPKHPZKUGL-JBEBIEQOSA-N 0 0 450.543 3.244 20 0 JGADRN CS[C@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001302558421 1067198698 /nfs/dbraw/zinc/19/86/98/1067198698.db2.gz NCPFCEPEJGVKEP-QGZVFWFLSA-N 0 0 492.690 3.251 20 0 JGADRN CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001302558631 1067199227 /nfs/dbraw/zinc/19/92/27/1067199227.db2.gz PUMCXZGMTLMUKE-ZWKOTPCHSA-N 0 0 492.640 3.032 20 0 JGADRN CS[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(Br)c2C1 ZINC001302559679 1067200066 /nfs/dbraw/zinc/20/00/66/1067200066.db2.gz ZPYLOUFOBYXREE-DZGCQCFKSA-N 0 0 485.473 3.257 20 0 JGADRN CS[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 ZINC001302558974 1067200100 /nfs/dbraw/zinc/20/01/00/1067200100.db2.gz STFFFVBVBDMMDY-IXDOHACOSA-N 0 0 470.686 3.179 20 0 JGADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(C)o1 ZINC001304152849 1067200485 /nfs/dbraw/zinc/20/04/85/1067200485.db2.gz QZFUVDLMUXFADK-SANMLTNESA-N 0 0 496.612 3.136 20 0 JGADRN CS[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(CCOc2ccccc2)CC1 ZINC001302560022 1067200597 /nfs/dbraw/zinc/20/05/97/1067200597.db2.gz ASXDRVTVIVFQSG-FQEVSTJZSA-N 0 0 452.628 3.216 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccncc3)nnc2N2CCC(CC(=O)N(C)C)CC2)c(C)o1 ZINC001304153003 1067201133 /nfs/dbraw/zinc/20/11/33/1067201133.db2.gz UKHGYENUGVKXMJ-AREMUKBSSA-N 0 0 480.613 3.076 20 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CSC[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001302694702 1067319974 /nfs/dbraw/zinc/31/99/74/1067319974.db2.gz VJXNGHJLBKBNGB-QGZVFWFLSA-N 0 0 466.652 3.148 20 0 JGADRN Cc1c(CN(C)c2nnc(COc3cc(C)ccc3C)n2CCC(=O)NC(C)(C)C)cnn1C ZINC001304279918 1067320088 /nfs/dbraw/zinc/32/00/88/1067320088.db2.gz KCCIROPUNYWFJY-UHFFFAOYSA-N 0 0 467.618 3.457 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cccn2C)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001302695084 1067320287 /nfs/dbraw/zinc/32/02/87/1067320287.db2.gz BKHZAVMJNOGAET-LJQANCHMSA-N 0 0 468.627 3.131 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)F ZINC001302695111 1067320355 /nfs/dbraw/zinc/32/03/55/1067320355.db2.gz CAMQOQHPXQAWFM-GFCCVEGCSA-N 0 0 474.375 3.421 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001302695317 1067320666 /nfs/dbraw/zinc/32/06/66/1067320666.db2.gz ZTZCLPJJWGKMMC-YJBOKZPZSA-N 0 0 466.602 3.329 20 0 JGADRN CSC[C@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001302695258 1067320863 /nfs/dbraw/zinc/32/08/63/1067320863.db2.gz ZGDPEIUQZJALPI-KYJSFNMBSA-N 0 0 493.033 3.392 20 0 JGADRN Cc1nnc(CCn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2cnccn2)s1 ZINC001304280463 1067321092 /nfs/dbraw/zinc/32/10/92/1067321092.db2.gz XVIVIMIDWYOPGX-UHFFFAOYSA-N 0 0 450.572 3.303 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCO1 ZINC001302695854 1067321089 /nfs/dbraw/zinc/32/10/89/1067321089.db2.gz KBUIUWCSRJWFGF-MOPGFXCFSA-N 0 0 479.672 3.096 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cccc(Br)c2)n1CCS(C)(=O)=O ZINC001302696086 1067321542 /nfs/dbraw/zinc/32/15/42/1067321542.db2.gz KVOHKHBYJNBFHL-OAHLLOKOSA-N 0 0 459.435 3.084 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001302696355 1067321589 /nfs/dbraw/zinc/32/15/89/1067321589.db2.gz PHPBGUCCGYULJF-HKUYNNGSSA-N 0 0 454.575 3.155 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCSC1 ZINC001302696304 1067321601 /nfs/dbraw/zinc/32/16/01/1067321601.db2.gz NDXOMLZIWVBGRP-RDTXWAMCSA-N 0 0 472.478 3.246 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCSC1 ZINC001302696302 1067321651 /nfs/dbraw/zinc/32/16/51/1067321651.db2.gz NDXOMLZIWVBGRP-KDOFPFPSSA-N 0 0 472.478 3.246 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCn2cncn2)c1 ZINC001304280980 1067321821 /nfs/dbraw/zinc/32/18/21/1067321821.db2.gz BAPYHEKGSOCXGV-UHFFFAOYSA-N 0 0 477.491 3.113 20 0 JGADRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CC[C@](C)(C(N)=O)C2)cs1 ZINC001304280979 1067321930 /nfs/dbraw/zinc/32/19/30/1067321930.db2.gz BAFHJANWQVVGFE-QHCPKHFHSA-N 0 0 454.600 3.183 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cccnc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001302696678 1067322050 /nfs/dbraw/zinc/32/20/50/1067322050.db2.gz UCCGEEIQQOSXGM-UYAOXDASSA-N 0 0 454.575 3.155 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCS(C)(=O)=O ZINC001302697388 1067322479 /nfs/dbraw/zinc/32/24/79/1067322479.db2.gz RQXRKCVHBGRJLR-QGZVFWFLSA-N 0 0 460.629 3.102 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCOC1 ZINC001302696861 1067322580 /nfs/dbraw/zinc/32/25/80/1067322580.db2.gz PYBXWPNEQFLONB-QFBILLFUSA-N 0 0 453.406 3.191 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001304281876 1067322576 /nfs/dbraw/zinc/32/25/76/1067322576.db2.gz IYEYTRLYJNCOBZ-JWQCQUIFSA-N 0 0 457.619 3.363 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001304281878 1067322623 /nfs/dbraw/zinc/32/26/23/1067322623.db2.gz IYEYTRLYJNCOBZ-RPBOFIJWSA-N 0 0 457.619 3.363 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccncc1 ZINC001302697495 1067322683 /nfs/dbraw/zinc/32/26/83/1067322683.db2.gz SRACXAVLOFTCLD-LJQANCHMSA-N 0 0 457.625 3.318 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC(C)(C)c2ccccn2)c1 ZINC001304281964 1067322825 /nfs/dbraw/zinc/32/28/25/1067322825.db2.gz DEVJAPIEOJMBAJ-UHFFFAOYSA-N 0 0 492.624 3.142 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2Cc2cnnn2C)c1 ZINC001304282211 1067323054 /nfs/dbraw/zinc/32/30/54/1067323054.db2.gz MCIZGEWNPOUOSF-HXUWFJFHSA-N 0 0 494.644 3.028 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2Cc2ncn(C)n2)c1 ZINC001304282366 1067323138 /nfs/dbraw/zinc/32/31/38/1067323138.db2.gz GSNVTSKWFHYSCZ-QGZVFWFLSA-N 0 0 452.588 3.347 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H]2CCC[C@@H]2C)c1 ZINC001304282379 1067323289 /nfs/dbraw/zinc/32/32/89/1067323289.db2.gz HCAAVYNLNPLHBB-PZJWPPBQSA-N 0 0 455.603 3.205 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)N(C)C ZINC001302697964 1067323453 /nfs/dbraw/zinc/32/34/53/1067323453.db2.gz VNMCGZFPYLUNTQ-NVXWUHKLSA-N 0 0 483.729 3.355 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC(=O)N2CCOCC2)c1 ZINC001304282811 1067323465 /nfs/dbraw/zinc/32/34/65/1067323465.db2.gz PLFRPEVBWPREOE-HXUWFJFHSA-N 0 0 455.603 3.205 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC(=O)N2CCOCC2)c1 ZINC001304282808 1067323651 /nfs/dbraw/zinc/32/36/51/1067323651.db2.gz PLFRPEVBWPREOE-FQEVSTJZSA-N 0 0 455.603 3.205 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccon3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001304283318 1067323841 /nfs/dbraw/zinc/32/38/41/1067323841.db2.gz RTAYLKPOABMHBP-UHFFFAOYSA-N 0 0 473.599 3.456 20 0 JGADRN CC(C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccccc1CN1CCCC1=O ZINC001302698705 1067323963 /nfs/dbraw/zinc/32/39/63/1067323963.db2.gz HZDVWODCIUZEBJ-GOSISDBHSA-N 0 0 451.493 3.340 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCS(=O)(=O)N(C)C)c1 ZINC001304283292 1067324137 /nfs/dbraw/zinc/32/41/37/1067324137.db2.gz UBHJHLCWFCGGTQ-IBGZPJMESA-N 0 0 463.648 3.238 20 0 JGADRN CC(C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001302699290 1067324249 /nfs/dbraw/zinc/32/42/49/1067324249.db2.gz PIZPPHUMIIEYIB-FQEVSTJZSA-N 0 0 479.622 3.401 20 0 JGADRN CSC[C@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001302699385 1067324888 /nfs/dbraw/zinc/32/48/88/1067324888.db2.gz ADZZPBNLRSXFGB-HZPDHXFCSA-N 0 0 484.548 3.140 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCOC3)n2CCn2cc(Br)cn2)c1 ZINC001304283893 1067324955 /nfs/dbraw/zinc/32/49/55/1067324955.db2.gz NOKPSZFSMSYSTO-GOSISDBHSA-N 0 0 475.391 3.358 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(OC(C)C)nc2)c1 ZINC001304283690 1067324983 /nfs/dbraw/zinc/32/49/83/1067324983.db2.gz VUYKIZHTKMKSHW-SANMLTNESA-N 0 0 478.597 3.406 20 0 JGADRN CC(C)c1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C ZINC001302700487 1067325198 /nfs/dbraw/zinc/32/51/98/1067325198.db2.gz SYZAWJHLYLHHKZ-FYQPLNBISA-N 0 0 463.623 3.287 20 0 JGADRN CC(C)c1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001302700303 1067325363 /nfs/dbraw/zinc/32/53/63/1067325363.db2.gz SALBKLQBWSNXNM-HSZRJFAPSA-N 0 0 457.579 3.238 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@@](C)(O)c2cccs2)c1 ZINC001304283956 1067325606 /nfs/dbraw/zinc/32/56/06/1067325606.db2.gz OLRBPJKXNVPZGE-XMMPIXPASA-N 0 0 471.627 3.404 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCCS(C)(=O)=O ZINC001302701608 1067325830 /nfs/dbraw/zinc/32/58/30/1067325830.db2.gz KVJJTROZAUGMSQ-QGZVFWFLSA-N 0 0 461.613 3.367 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001304284265 1067325866 /nfs/dbraw/zinc/32/58/66/1067325866.db2.gz PPVBUEOZPIJBQW-MGBGTMOVSA-N 0 0 477.675 3.372 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@H](C)CC(N)=O)c(C)o1 ZINC001304284256 1067325873 /nfs/dbraw/zinc/32/58/73/1067325873.db2.gz PLPLNEIMVGZVFY-CRICUBBOSA-N 0 0 469.586 3.292 20 0 JGADRN CSC[C@H]1CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 ZINC001302702028 1067325953 /nfs/dbraw/zinc/32/59/53/1067325953.db2.gz PCDWDJNYCLFRSR-OTWHNJEPSA-N 0 0 481.663 3.140 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2cnn(C)c2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302702277 1067326089 /nfs/dbraw/zinc/32/60/89/1067326089.db2.gz RROROZALLVSYFR-PXNSSMCTSA-N 0 0 466.533 3.461 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CCC([C@H]4CCCO4)CC3)n2CC(=O)NCC(F)F)c1 ZINC001304284581 1067326288 /nfs/dbraw/zinc/32/62/88/1067326288.db2.gz ACZICHAEGNYBND-LJQANCHMSA-N 0 0 477.556 3.251 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001304284723 1067326684 /nfs/dbraw/zinc/32/66/84/1067326684.db2.gz BNVXJAYHQZSOES-ZVDOUQERSA-N 0 0 475.659 3.238 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2CC2(C(N)=O)CCOCC2)c1 ZINC001304284861 1067326694 /nfs/dbraw/zinc/32/66/94/1067326694.db2.gz WPWGGZZNTXPCRQ-IBGZPJMESA-N 0 0 498.653 3.452 20 0 JGADRN CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CCN1CCOC[C@H]1C ZINC001302704642 1067326901 /nfs/dbraw/zinc/32/69/01/1067326901.db2.gz LCHJPJJIDROTMP-MSOLQXFVSA-N 0 0 462.664 3.454 20 0 JGADRN 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YXOVUNWUJMDSJH-ZDUSSCGKSA-N 0 0 458.510 3.100 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2nc3c(c(=O)[nH]2)COCC3)c2ccccc21 ZINC001302842364 1067428854 /nfs/dbraw/zinc/42/88/54/1067428854.db2.gz PEZMGUKBNNKRIQ-OAHLLOKOSA-N 0 0 454.527 3.190 20 0 JGADRN Cc1nc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)sc1C ZINC001304381333 1067429354 /nfs/dbraw/zinc/42/93/54/1067429354.db2.gz DZUGHVSXDXWCBN-SFHVURJKSA-N 0 0 481.626 3.361 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001304381291 1067429390 /nfs/dbraw/zinc/42/93/90/1067429390.db2.gz DBKPRPKSKNNHBJ-GGPKGHCWSA-N 0 0 468.602 3.053 20 0 JGADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)C1 ZINC001304381511 1067429394 /nfs/dbraw/zinc/42/93/94/1067429394.db2.gz ODHGQEAZDQKUEQ-MRXNPFEDSA-N 0 0 451.502 3.402 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2CCNC(=O)OC(C)(C)C)cc1C ZINC001304381611 1067429676 /nfs/dbraw/zinc/42/96/76/1067429676.db2.gz BYTPPVWCMVILJR-UHFFFAOYSA-N 0 0 472.590 3.287 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)cc1C ZINC001304381765 1067429744 /nfs/dbraw/zinc/42/97/44/1067429744.db2.gz HOZOSXNBHJNGPG-LJQANCHMSA-N 0 0 462.545 3.103 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCC[C@H](C)C3)n2C[C@H](C)N2CCOCC2)cc1C ZINC001304382324 1067430601 /nfs/dbraw/zinc/43/06/01/1067430601.db2.gz JYQYPAKIDGMVIK-RXVVDRJESA-N 0 0 454.619 3.494 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCC[C@@H](C)C3)n2C[C@@H](C)N2CCOCC2)cc1C ZINC001304382325 1067430644 /nfs/dbraw/zinc/43/06/44/1067430644.db2.gz JYQYPAKIDGMVIK-WIYYLYMNSA-N 0 0 454.619 3.494 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001302844680 1067430614 /nfs/dbraw/zinc/43/06/14/1067430614.db2.gz FAJCVBDHVPXOAU-HMXCVIKNSA-N 0 0 493.649 3.000 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCOC[C@H]2CCOC2)cc1C ZINC001304382674 1067431195 /nfs/dbraw/zinc/43/11/95/1067431195.db2.gz GYVNZWJOADTYAE-FYYLOGMGSA-N 0 0 485.629 3.452 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001302845251 1067431228 /nfs/dbraw/zinc/43/12/28/1067431228.db2.gz ZSIKSCJKSHFVNQ-SVFBPWRDSA-N 0 0 454.619 3.068 20 0 JGADRN C[C@@H]1CCO[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001302845165 1067431251 /nfs/dbraw/zinc/43/12/51/1067431251.db2.gz WWEWUMUNLXXZIV-UWWQBHOKSA-N 0 0 485.938 3.452 20 0 JGADRN COc1ccc(C(=O)NCc2ncc(Br)s2)cc1I ZINC001302845138 1067431255 /nfs/dbraw/zinc/43/12/55/1067431255.db2.gz DVKKXEPLEUGAJX-UHFFFAOYSA-N 0 0 453.099 3.449 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](c2ccco2)N(C)C)cc1C ZINC001304382732 1067431398 /nfs/dbraw/zinc/43/13/98/1067431398.db2.gz LQKCTXKLACKTGJ-TZIWHRDSSA-N 0 0 493.612 3.135 20 0 JGADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)CCC(=O)Nc2nnc(C(C)C)s2)C1 ZINC001304382903 1067431908 /nfs/dbraw/zinc/43/19/08/1067431908.db2.gz VUBUFRZUQFSRMG-OAHLLOKOSA-N 0 0 459.572 3.266 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2Cc2nccs2)cc1C ZINC001304383256 1067432467 /nfs/dbraw/zinc/43/24/67/1067432467.db2.gz KENZDZPOHMUIQT-OAHLLOKOSA-N 0 0 466.489 3.420 20 0 JGADRN C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1F ZINC001302847571 1067432605 /nfs/dbraw/zinc/43/26/05/1067432605.db2.gz GHZMYDBBYFMDDF-UZLBHIALSA-N 0 0 491.011 3.447 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@]2(C)CN(C)C2=O)cc1C ZINC001304383425 1067432867 /nfs/dbraw/zinc/43/28/67/1067432867.db2.gz OCRQDCIPGQINBG-ZHRRBRCNSA-N 0 0 478.519 3.404 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H]2CCC[C@H](O)C2)cc1C ZINC001304383581 1067432895 /nfs/dbraw/zinc/43/28/95/1067432895.db2.gz MDHIBRNLXOBZHY-XJUOHMSHSA-N 0 0 496.656 3.391 20 0 JGADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)CO1 ZINC001304383604 1067432914 /nfs/dbraw/zinc/43/29/14/1067432914.db2.gz YZEFCGWRUGUURH-OAHLLOKOSA-N 0 0 450.923 3.365 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CCCS2)cc1C ZINC001304383891 1067433944 /nfs/dbraw/zinc/43/39/44/1067433944.db2.gz PIGIYFFJFPABLM-MJGOQNOKSA-N 0 0 456.616 3.135 20 0 JGADRN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCC2)C[C@H]1C(F)(F)F ZINC001302848506 1067434064 /nfs/dbraw/zinc/43/40/64/1067434064.db2.gz UZJVYLHGXKITLX-HUUCEWRRSA-N 0 0 452.481 3.255 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1F ZINC001302848677 1067434100 /nfs/dbraw/zinc/43/41/00/1067434100.db2.gz XOBLDBHDNOJVBP-OCCSQVGLSA-N 0 0 474.400 3.187 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)C[C@H]1C(F)(F)F ZINC001302848648 1067434151 /nfs/dbraw/zinc/43/41/51/1067434151.db2.gz WUHFQIUXTFWFDA-CZUORRHYSA-N 0 0 477.940 3.269 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@]2(C)CCCS2)cc1C ZINC001304384233 1067434323 /nfs/dbraw/zinc/43/43/23/1067434323.db2.gz PKZISCSQOSLLGX-SBUREZEXSA-N 0 0 456.616 3.100 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2Cc2ccoc2)cc1C ZINC001304384227 1067434340 /nfs/dbraw/zinc/43/43/40/1067434340.db2.gz PJAVJRWWILRGKJ-UHFFFAOYSA-N 0 0 479.585 3.419 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@H]2CCCOC2)cc1C ZINC001304384393 1067434808 /nfs/dbraw/zinc/43/48/08/1067434808.db2.gz QANKDEQALOSZLQ-JOCHJYFZSA-N 0 0 484.645 3.121 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCSCC(F)(F)F)cc1C ZINC001304384426 1067434858 /nfs/dbraw/zinc/43/48/58/1067434858.db2.gz QTEKCJRHNRGTKF-MRXNPFEDSA-N 0 0 498.531 3.084 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCC2(O)CCOCC2)C[C@@H]1F ZINC001302850615 1067435190 /nfs/dbraw/zinc/43/51/90/1067435190.db2.gz OIHBVGYMBUXURP-PBHICJAKSA-N 0 0 453.356 3.433 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2CC(C)C)cc1C ZINC001304384515 1067435272 /nfs/dbraw/zinc/43/52/72/1067435272.db2.gz RLKCYDKEBTUPDY-DEOSSOPVSA-N 0 0 451.575 3.289 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC2(O)CCC2)cc1C ZINC001304384564 1067435728 /nfs/dbraw/zinc/43/57/28/1067435728.db2.gz UKBYFZWVPDEWRI-FQEVSTJZSA-N 0 0 482.629 3.051 20 0 JGADRN Cc1c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cnn1C ZINC001304384839 1067436195 /nfs/dbraw/zinc/43/61/95/1067436195.db2.gz UCQQZRDOSCISLU-OAQYLSRUSA-N 0 0 465.602 3.489 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(C)(C)O)c2)CCN1C(=O)OC(C)(C)C ZINC001302851846 1067436579 /nfs/dbraw/zinc/43/65/79/1067436579.db2.gz VAPQKYFEZAPBJK-GOSISDBHSA-N 0 0 495.628 3.400 20 0 JGADRN CCOC(=O)CS[C@H](CNC(=O)c1cnn(-c2ccccc2OC)c1CC)C(F)(F)F ZINC001302852189 1067436592 /nfs/dbraw/zinc/43/65/92/1067436592.db2.gz AVJRKDKNAHSNQK-QGZVFWFLSA-N 0 0 459.490 3.400 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCCn2ccnn2)CCN1C(=O)OC(C)(C)C ZINC001302852322 1067437143 /nfs/dbraw/zinc/43/71/43/1067437143.db2.gz IAAYQMNAYVHMGO-GOSISDBHSA-N 0 0 452.563 3.073 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@H]2CC[C@@H](C)C2)cc1C ZINC001304385236 1067437566 /nfs/dbraw/zinc/43/75/66/1067437566.db2.gz WVNRNTBZOPOXEY-UXPWSPDFSA-N 0 0 488.658 3.054 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2CC=CCO2)cc1C ZINC001304385275 1067437658 /nfs/dbraw/zinc/43/76/58/1067437658.db2.gz YDAMSHOTWXRORH-NRFANRHFSA-N 0 0 480.613 3.187 20 0 JGADRN C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCc2cnn(C)c2)CCN1C(=O)OC(C)(C)C ZINC001302855095 1067438542 /nfs/dbraw/zinc/43/85/42/1067438542.db2.gz ALFBWIMCNYRFRN-QUCCMNQESA-N 0 0 473.622 3.332 20 0 JGADRN Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001304386191 1067439435 /nfs/dbraw/zinc/43/94/35/1067439435.db2.gz AQENCFQGHHEPCE-GOSISDBHSA-N 0 0 467.574 3.496 20 0 JGADRN Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001304386199 1067439464 /nfs/dbraw/zinc/43/94/64/1067439464.db2.gz AQENCFQGHHEPCE-SFHVURJKSA-N 0 0 467.574 3.496 20 0 JGADRN 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461.542 3.186 20 0 JGADRN FC(F)(F)OCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001302940936 1067515190 /nfs/dbraw/zinc/51/51/90/1067515190.db2.gz FRKTVOUTQNTKHC-OAHLLOKOSA-N 0 0 482.381 3.410 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@]2(C)CCCO2)cc1 ZINC001304436932 1067515508 /nfs/dbraw/zinc/51/55/08/1067515508.db2.gz DDASTGUGOWYFEL-NQIIRXRSSA-N 0 0 450.630 3.071 20 0 JGADRN Cc1noc(C)c1CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001304436971 1067515559 /nfs/dbraw/zinc/51/55/59/1067515559.db2.gz JYHGOZYEGVUSOF-QGZVFWFLSA-N 0 0 454.600 3.393 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(c4cccnn4)CC3)n2CCCCCO)cc1 ZINC001304436886 1067515588 /nfs/dbraw/zinc/51/55/88/1067515588.db2.gz IPNBPDOYSZKQFB-UHFFFAOYSA-N 0 0 453.616 3.158 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001304437029 1067515969 /nfs/dbraw/zinc/51/59/69/1067515969.db2.gz FYKFSEMCPYSBMB-RTBURBONSA-N 0 0 464.657 3.317 20 0 JGADRN 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ZINC001304437561 1067516940 /nfs/dbraw/zinc/51/69/40/1067516940.db2.gz DMSPQUQNIRTDLF-UGKGYDQZSA-N 0 0 464.657 3.053 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCOc1ncccc1Cl ZINC001302943990 1067517121 /nfs/dbraw/zinc/51/71/21/1067517121.db2.gz NILCDCRJNCWRPV-UHFFFAOYSA-N 0 0 476.025 3.332 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001304437601 1067517273 /nfs/dbraw/zinc/51/72/73/1067517273.db2.gz DYFNSXQCAJHLHU-YDZJVOIISA-N 0 0 489.711 3.483 20 0 JGADRN FC(F)(F)SCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001302944592 1067517455 /nfs/dbraw/zinc/51/74/55/1067517455.db2.gz HPPIRBWKMFWELA-OAHLLOKOSA-N 0 0 458.535 3.285 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](c4ccnn4C)C3)n2CC(=O)NCC(F)F)cc1 ZINC001304437906 1067517544 /nfs/dbraw/zinc/51/75/44/1067517544.db2.gz LBEXJJDKAXOHCB-QGZVFWFLSA-N 0 0 489.596 3.378 20 0 JGADRN FC(F)[C@H](CCn1c(C2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1)N1CCOCC1 ZINC001302944984 1067517603 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DLRAOZRIABOQRV-UHFFFAOYSA-N 0 0 467.643 3.474 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](c2ccsc2)N(C)C)cc1 ZINC001304440287 1067520849 /nfs/dbraw/zinc/52/08/49/1067520849.db2.gz ICYJZPRNEOFZIF-FQEVSTJZSA-N 0 0 491.708 3.478 20 0 JGADRN Cc1ccc(SCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC001304440474 1067521161 /nfs/dbraw/zinc/52/11/61/1067521161.db2.gz GKGGMMOUKHSXSD-UHFFFAOYSA-N 0 0 453.616 3.084 20 0 JGADRN COCCn1cc(CNC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)c(=O)[nH]c1=O ZINC001302948072 1067521628 /nfs/dbraw/zinc/52/16/28/1067521628.db2.gz RMFRYTPTESGASQ-UJEVTCALSA-N 0 0 466.365 3.417 20 0 JGADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001302948315 1067521668 /nfs/dbraw/zinc/52/16/68/1067521668.db2.gz RVQPVHMTLGUWAT-QGZVFWFLSA-N 0 0 468.693 3.030 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(N3CCO[C@@H](c4nnc(C(C)C)o4)C3)nnc2C(C)(C)C)c1 ZINC001304442029 1067522910 /nfs/dbraw/zinc/52/29/10/1067522910.db2.gz DZNJURXHNZWMMV-LJQANCHMSA-N 0 0 481.601 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CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C1CCCCC1 ZINC001302986300 1067548590 /nfs/dbraw/zinc/54/85/90/1067548590.db2.gz PAIUCDWQKVKFGQ-GOSISDBHSA-N 0 0 462.639 3.371 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001302986293 1067548597 /nfs/dbraw/zinc/54/85/97/1067548597.db2.gz OSBZGNXUSRRCKQ-AZUAARDMSA-N 0 0 453.635 3.254 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCCC(=O)N(C)C ZINC001302986709 1067548846 /nfs/dbraw/zinc/54/88/46/1067548846.db2.gz RLZNVBOQSCSUSP-OALUTQOASA-N 0 0 462.639 3.181 20 0 JGADRN Cc1nccn1CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001304469722 1067548873 /nfs/dbraw/zinc/54/88/73/1067548873.db2.gz VFERPSGDRFQPHU-UHFFFAOYSA-N 0 0 464.618 3.375 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(NC(=O)C4CC4)CC3)n2CCCN(C)CC(F)(F)F)n1 ZINC001304469740 1067548921 /nfs/dbraw/zinc/54/89/21/1067548921.db2.gz WEKDFKDDYPDJLF-UHFFFAOYSA-N 0 0 479.551 3.028 20 0 JGADRN 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ZINC001303024109 1067576724 /nfs/dbraw/zinc/57/67/24/1067576724.db2.gz DBQFRPDZTGUUQB-CYBMUJFWSA-N 0 0 450.406 3.162 20 0 JGADRN NC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2Cc2ccnc(C(F)(F)F)c2)C1 ZINC001303024244 1067576729 /nfs/dbraw/zinc/57/67/29/1067576729.db2.gz HUUDACYVTQXMRC-INIZCTEOSA-N 0 0 462.451 3.172 20 0 JGADRN NC(=O)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOC2CCCCCC2)C1 ZINC001303024337 1067576915 /nfs/dbraw/zinc/57/69/15/1067576915.db2.gz IBGGQGJQSCONFN-AWEZNQCLSA-N 0 0 465.396 3.087 20 0 JGADRN Cc1cccc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@@H](C(C)C)N2CCOCC2)c1 ZINC001304502713 1067577006 /nfs/dbraw/zinc/57/70/06/1067577006.db2.gz KTRLOFJCRVANAH-UNMCSNQZSA-N 0 0 459.660 3.464 20 0 JGADRN Cc1cccc(OCc2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CCn2cncn2)c1 ZINC001304502643 1067577023 /nfs/dbraw/zinc/57/70/23/1067577023.db2.gz JGWHSJIWCGYUPQ-UHFFFAOYSA-N 0 0 496.616 3.293 20 0 JGADRN Cc1cccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2C[C@H](C(C)C)N2CCOCC2)c1 ZINC001304502710 1067577029 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ZINC001303038367 1067583690 /nfs/dbraw/zinc/58/36/90/1067583690.db2.gz JTGRQRSDOUJHLX-UHFFFAOYSA-N 0 0 472.391 3.086 20 0 JGADRN NC(=O)C[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC(F)(F)Br)C1 ZINC001303038416 1067583886 /nfs/dbraw/zinc/58/38/86/1067583886.db2.gz KXFXDLIQBQJXPP-LBPRGKRZSA-N 0 0 476.297 3.076 20 0 JGADRN NC(=O)C[C@@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CCc2ccncc2)C1 ZINC001303038412 1067583908 /nfs/dbraw/zinc/58/39/08/1067583908.db2.gz KVRJMDUUYRXJPB-SFHVURJKSA-N 0 0 499.413 3.349 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCN2CCCC(C)(C)C2)c1 ZINC001304509595 1067584054 /nfs/dbraw/zinc/58/40/54/1067584054.db2.gz SGWNYBYAFASGQI-JOCHJYFZSA-N 0 0 489.686 3.301 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCCC(=O)N(C)C)c1 ZINC001304509725 1067584122 /nfs/dbraw/zinc/58/41/22/1067584122.db2.gz HYPSHZOIRDUOME-NRFANRHFSA-N 0 0 498.672 3.413 20 0 JGADRN CC(C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001303038699 1067584225 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JJEXWOKUGAWYFG-UHFFFAOYSA-N 0 0 461.920 3.450 20 0 JGADRN NC(=O)C[C@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001303039006 1067584667 /nfs/dbraw/zinc/58/46/67/1067584667.db2.gz QNOPVZOGTQWZFM-LJQANCHMSA-N 0 0 488.514 3.345 20 0 JGADRN NC(=O)C[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001303039683 1067584987 /nfs/dbraw/zinc/58/49/87/1067584987.db2.gz VSGVMSHHMXEIHN-QGZVFWFLSA-N 0 0 484.592 3.297 20 0 JGADRN COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001303040299 1067585231 /nfs/dbraw/zinc/58/52/31/1067585231.db2.gz ODKJIUWJGVDEAP-UHFFFAOYSA-N 0 0 455.433 3.238 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2CC2(C)CCC2)c1 ZINC001304510632 1067585256 /nfs/dbraw/zinc/58/52/56/1067585256.db2.gz SSXQFACYFWVPCE-LJQANCHMSA-N 0 0 461.632 3.121 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC001304510762 1067585503 /nfs/dbraw/zinc/58/55/03/1067585503.db2.gz BFJRXFPDHOYCQD-MIZPHKNDSA-N 0 0 455.603 3.284 20 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Cc1nc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)CNC(=O)OC(C)(C)C)CCO2)no1 ZINC001304647211 1067714943 /nfs/dbraw/zinc/71/49/43/1067714943.db2.gz YELYJMSRZHUGKR-GDBMZVCRSA-N 0 0 463.583 3.006 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCCNS(C)(=O)=O)cs1 ZINC001304647500 1067715119 /nfs/dbraw/zinc/71/51/19/1067715119.db2.gz ACKMXPJVYZNXIH-INIZCTEOSA-N 0 0 462.645 3.079 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCO2)[C@@H](C)C1=O ZINC001303183054 1067715288 /nfs/dbraw/zinc/71/52/88/1067715288.db2.gz PHZDHQSNFHIJKT-BBTUJRGHSA-N 0 0 459.566 3.429 20 0 JGADRN Cc1nc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC(F)(F)CNC(=O)OC(C)(C)C)CCO2)no1 ZINC001304647575 1067715353 /nfs/dbraw/zinc/71/53/53/1067715353.db2.gz AYKAUEDIZXRGGD-OAHLLOKOSA-N 0 0 499.563 3.296 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CCSC(F)(F)F)cs1 ZINC001304647571 1067715425 /nfs/dbraw/zinc/71/54/25/1067715425.db2.gz AYFDLWSAPFDVBU-MNOVXSKESA-N 0 0 471.596 3.145 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCOC2)CC1=O ZINC001303183457 1067716080 /nfs/dbraw/zinc/71/60/80/1067716080.db2.gz DFXQTNIVDRVDMJ-KRWDZBQOSA-N 0 0 476.419 3.439 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@]2(C)CCO[C@H]2C2CC2)cs1 ZINC001304648774 1067716419 /nfs/dbraw/zinc/71/64/19/1067716419.db2.gz FZQJPXBFBMCYOP-SVBQBFEESA-N 0 0 481.688 3.097 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H]3CCSC3)n2CCn2cc(Br)cn2)cs1 ZINC001304648711 1067716488 /nfs/dbraw/zinc/71/64/88/1067716488.db2.gz OMWKKTXTPBIQTD-HNNXBMFYSA-N 0 0 468.450 3.235 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)C)n2Cc2c(C)nn(-c3ccccc3)c2C)cs1 ZINC001304649267 1067716831 /nfs/dbraw/zinc/71/68/31/1067716831.db2.gz QWNOZSDXYWEXTF-UHFFFAOYSA-N 0 0 492.653 3.445 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)COCc2ccccc2)cs1 ZINC001304649311 1067717087 /nfs/dbraw/zinc/71/70/87/1067717087.db2.gz RLXBXRFJGZWUGJ-DYESRHJHSA-N 0 0 489.667 3.110 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC=CCO2)[C@@H](C)C1=O ZINC001303184484 1067717555 /nfs/dbraw/zinc/71/75/55/1067717555.db2.gz MXJJXRYSPSYCEW-DOTOQJQBSA-N 0 0 477.407 3.074 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cn2)[C@H](C)C1=O ZINC001303184383 1067717585 /nfs/dbraw/zinc/71/75/85/1067717585.db2.gz LWDCGCHSDTYJQZ-CQSZACIVSA-N 0 0 490.381 3.311 20 0 JGADRN CC(C)CN1CCN(c2nnc(C(C)C)n2CC(C)(C)c2ccc3c(c2)OCCO3)CC1=O ZINC001303184653 1067718101 /nfs/dbraw/zinc/71/81/01/1067718101.db2.gz YNYSEXLSAKDJIW-UHFFFAOYSA-N 0 0 455.603 3.455 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2C[C@@H]2COCCO2)cs1 ZINC001304650253 1067718283 /nfs/dbraw/zinc/71/82/83/1067718283.db2.gz IGDIMAFHYPCWKF-OAQYLSRUSA-N 0 0 457.600 3.473 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCSC2(C)C)CC1=O ZINC001303184783 1067718382 /nfs/dbraw/zinc/71/83/82/1067718382.db2.gz PCZPUAWGJWCNHF-DVECYGJZSA-N 0 0 479.691 3.155 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cccc(F)c2)CC1=O ZINC001303184806 1067718488 /nfs/dbraw/zinc/71/84/88/1067718488.db2.gz POTWOPUSUFQGJM-SANMLTNESA-N 0 0 487.620 3.395 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCN2CCOC(C)(C)C2)cs1 ZINC001304650899 1067718622 /nfs/dbraw/zinc/71/86/22/1067718622.db2.gz LRGWWWDBCYKVBF-UHFFFAOYSA-N 0 0 476.050 3.429 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cc2)[C@@H](C)C1=O ZINC001303184945 1067719214 /nfs/dbraw/zinc/71/92/14/1067719214.db2.gz QFVXNMUKEXIVFE-UQBPGWFLSA-N 0 0 473.593 3.199 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnn(C)c2)[C@H](C)C1=O ZINC001303185226 1067719719 /nfs/dbraw/zinc/71/97/19/1067719719.db2.gz WMHVNCYGCQZAAR-MRXNPFEDSA-N 0 0 473.528 3.021 20 0 JGADRN Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CC2(CS(C)(=O)=O)CC2)cs1 ZINC001304652149 1067720132 /nfs/dbraw/zinc/72/01/32/1067720132.db2.gz URYQBWBTDHWHAY-CQSZACIVSA-N 0 0 480.685 3.155 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc3[nH]c(C)c(C)c3c2)cs1 ZINC001304652443 1067720223 /nfs/dbraw/zinc/72/02/23/1067720223.db2.gz QZTFNILWYGBEKX-ZDUSSCGKSA-N 0 0 451.600 3.480 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001303185458 1067720645 /nfs/dbraw/zinc/72/06/45/1067720645.db2.gz DEBZOPSJKXCNLC-UHFFFAOYSA-N 0 0 466.051 3.201 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCOC(C)C)CC1=O ZINC001303185406 1067720715 /nfs/dbraw/zinc/72/07/15/1067720715.db2.gz BPSHEWZXJHAUPO-UHFFFAOYSA-N 0 0 471.602 3.226 20 0 JGADRN Cc1nc([C@@H]2CN(c3nnc(C4CCC4)n3C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CCO2)no1 ZINC001304652936 1067720738 /nfs/dbraw/zinc/72/07/38/1067720738.db2.gz NWWRSOMOJIJZAJ-YJBOKZPZSA-N 0 0 475.594 3.318 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccccc3)n2CC(=O)N(C)C2CCCCC2)CC1=O ZINC001303185678 1067720974 /nfs/dbraw/zinc/72/09/74/1067720974.db2.gz KBDLZELTJBTQKH-UHFFFAOYSA-N 0 0 452.603 3.041 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2Cc2cnnn2C)cs1 ZINC001304653593 1067721408 /nfs/dbraw/zinc/72/14/08/1067721408.db2.gz WHQZKDUDLNVXHD-UHFFFAOYSA-N 0 0 460.514 3.048 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1=O ZINC001303185975 1067721626 /nfs/dbraw/zinc/72/16/26/1067721626.db2.gz RYSIKKJBIVUQSC-WIYYLYMNSA-N 0 0 461.010 3.359 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccnc2)[C@@H](C)C1=O ZINC001303185880 1067721653 /nfs/dbraw/zinc/72/16/53/1067721653.db2.gz PFPSCQTZKCJXOB-KRWDZBQOSA-N 0 0 453.978 3.324 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCOC(C)(C)C2)[C@@H](C)C1=O ZINC001303186005 1067721724 /nfs/dbraw/zinc/72/17/24/1067721724.db2.gz SYCKNNXGUIYXJZ-IBGZPJMESA-N 0 0 489.064 3.402 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3cnccn3)n2Cc2ccnc(OCC(F)(F)F)c2)cs1 ZINC001304653859 1067722099 /nfs/dbraw/zinc/72/20/99/1067722099.db2.gz DAQCUGMFKIAPJO-UHFFFAOYSA-N 0 0 490.515 3.445 20 0 JGADRN Cc1nc([C@H]2CN(c3nnc(Cc4ccc(F)cc4)n3C[C@@](C)(O)CCC(C)C)CCO2)no1 ZINC001304653959 1067722155 /nfs/dbraw/zinc/72/21/55/1067722155.db2.gz VLXLULDOBYJJBF-YKSBVNFPSA-N 0 0 472.565 3.465 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC(C)(C)C)nc2)CC1=O ZINC001303188297 1067722358 /nfs/dbraw/zinc/72/23/58/1067722358.db2.gz HEVFBSRIOLSBDZ-UHFFFAOYSA-N 0 0 463.586 3.265 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CCC(=O)NC(C)C)cs1 ZINC001304653993 1067722477 /nfs/dbraw/zinc/72/24/77/1067722477.db2.gz VVJQFJKLZUGJPR-KXSVPLAASA-N 0 0 488.683 3.483 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1=O ZINC001303188693 1067722615 /nfs/dbraw/zinc/72/26/15/1067722615.db2.gz LBKNESWWOOYRPB-MRXNPFEDSA-N 0 0 473.503 3.495 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cccn3C)n2CCOc2ncccc2Cl)[C@@H](C)C1=O ZINC001303188465 1067722774 /nfs/dbraw/zinc/72/27/74/1067722774.db2.gz JQKMAPQMASEOMU-KRWDZBQOSA-N 0 0 471.993 3.104 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3cscn3)n2Cc2ccc(NC(N)=O)cc2)cs1 ZINC001304654717 1067722848 /nfs/dbraw/zinc/72/28/48/1067722848.db2.gz LMNMPBKZWSQPTJ-UHFFFAOYSA-N 0 0 454.585 3.266 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CCOc2cccc(Cl)c2)[C@@H](C)C1=O ZINC001303188853 1067723152 /nfs/dbraw/zinc/72/31/52/1067723152.db2.gz JSBJCBFLDWMCBM-KRWDZBQOSA-N 0 0 469.977 3.161 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3ncnn3CC(F)F)n2Cc2ccncc2Cl)cs1 ZINC001304654939 1067723235 /nfs/dbraw/zinc/72/32/35/1067723235.db2.gz PSIANQGFHYMUEC-UHFFFAOYSA-N 0 0 479.948 3.224 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccco3)n2CCNS(=O)(=O)c2ccccc2)cs1 ZINC001304654806 1067723269 /nfs/dbraw/zinc/72/32/69/1067723269.db2.gz ZITYWUMKBWSJLM-MRXNPFEDSA-N 0 0 486.623 3.403 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3cnccn3)n2C[C@@](C)(O)c2ccc(F)cc2)cs1 ZINC001304655313 1067723565 /nfs/dbraw/zinc/72/35/65/1067723565.db2.gz WMIACGGTWWQUSW-JOCHJYFZSA-N 0 0 453.547 3.107 20 0 JGADRN CC(C)CN1CCN(c2nnc(C3CCC3)n2Cc2ccc(C[S@](C)=O)cc2)[C@H](C)C1=O ZINC001303189449 1067723768 /nfs/dbraw/zinc/72/37/68/1067723768.db2.gz DMYVKHHBMQXAHG-CVCYQNGTSA-N 0 0 457.644 3.166 20 0 JGADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCCO3)n2Cc2cccc(CS(C)(=O)=O)c2)cs1 ZINC001304655621 1067723852 /nfs/dbraw/zinc/72/38/52/1067723852.db2.gz DDPZDGOZDJGJFG-OAQYLSRUSA-N 0 0 489.667 3.232 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C(C)(C)C)cs2)[C@H](C)C1=O ZINC001303190048 1067724545 /nfs/dbraw/zinc/72/45/45/1067724545.db2.gz UDKRRROCSLWGAF-QGZVFWFLSA-N 0 0 482.658 3.425 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CCCOc3ccccc3)n2C[C@@]2(C)CN(C)C2=O)cs1 ZINC001304656344 1067724696 /nfs/dbraw/zinc/72/46/96/1067724696.db2.gz IOXWEEQOKKFGKI-HSZRJFAPSA-N 0 0 454.600 3.017 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H]2CCOc3ccccc32)cs1 ZINC001304656997 1067725139 /nfs/dbraw/zinc/72/51/39/1067725139.db2.gz RAVXTMYXLRBYNT-KRWDZBQOSA-N 0 0 475.640 3.071 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CCCOc3ccccc3C)n2Cc2cnnn2C)cs1 ZINC001304657024 1067725623 /nfs/dbraw/zinc/72/56/23/1067725623.db2.gz RRCQWEBJBYARQW-UHFFFAOYSA-N 0 0 452.588 3.024 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H]2CCO[C@@H]2C(C)C)cs1 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NMIUPKUDYKOBNB-LJQANCHMSA-N 0 0 468.602 3.219 20 0 JGADRN CCOc1cccnc1N1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 ZINC001303534902 1068063324 /nfs/dbraw/zinc/06/33/24/1068063324.db2.gz OMLPXWNKUBFXJD-SFHVURJKSA-N 0 0 455.534 3.212 20 0 JGADRN CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](C)C1)N1CCOCC1 ZINC001305018788 1068063515 /nfs/dbraw/zinc/06/35/15/1068063515.db2.gz VIHILXPXJZIWGZ-PMACEKPBSA-N 0 0 474.675 3.253 20 0 JGADRN C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(F)cc2)CC1 ZINC001305018531 1068063612 /nfs/dbraw/zinc/06/36/12/1068063612.db2.gz VFGFJCZOWUDSPE-IBGZPJMESA-N 0 0 456.610 3.286 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[S@](=O)C(C)(C)C)CCO1 ZINC001303535644 1068064044 /nfs/dbraw/zinc/06/40/44/1068064044.db2.gz FFUSEKPHDGCCIF-JJCDCTGGSA-N 0 0 454.662 3.108 20 0 JGADRN C[C@H]1CCCN(C(=O)C2CCN(c3nnc(CC(C)(C)C)n3CC3CCS(=O)(=O)CC3)CC2)C1 ZINC001305019145 1068064752 /nfs/dbraw/zinc/06/47/52/1068064752.db2.gz KEWOXAQAWHMXFZ-IBGZPJMESA-N 0 0 493.718 3.166 20 0 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CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccccc1N1CCCCC1 ZINC001305547360 1068827269 /nfs/dbraw/zinc/82/72/69/1068827269.db2.gz OYJMDRMVRLAKIK-UXHICEINSA-N 0 0 474.675 3.300 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001305548307 1068827587 /nfs/dbraw/zinc/82/75/87/1068827587.db2.gz CFANXYQSWIOFLI-QAPCUYQASA-N 0 0 460.529 3.424 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCc1ccc(OC)c(OC(F)F)c1 ZINC001305548336 1068827762 /nfs/dbraw/zinc/82/77/62/1068827762.db2.gz SDNKXKFVMRZISR-WBVHZDCISA-N 0 0 478.544 3.200 20 0 JGADRN CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001305550267 1068829466 /nfs/dbraw/zinc/82/94/66/1068829466.db2.gz IGUKZVJTFXSABR-YCRPNKLZSA-N 0 0 482.507 3.401 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1Cc1ccc(OC(C)C)cc1 ZINC001305551454 1068830318 /nfs/dbraw/zinc/83/03/18/1068830318.db2.gz LLKDOHQFHJUZGS-XLIONFOSSA-N 0 0 454.575 3.100 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CCCNC(=O)OC(C)(C)C ZINC001305553547 1068831680 /nfs/dbraw/zinc/83/16/80/1068831680.db2.gz HACRKRPHVDXPQU-HXOBKFHXSA-N 0 0 461.611 3.192 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001305554033 1068832036 /nfs/dbraw/zinc/83/20/36/1068832036.db2.gz DVDCYMFYCNWFAH-QFBILLFUSA-N 0 0 450.580 3.476 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001305556400 1068834692 /nfs/dbraw/zinc/83/46/92/1068834692.db2.gz ZBEGPNJMEWANDR-SXLOBPIMSA-N 0 0 467.536 3.460 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCN1CCCS1(=O)=O ZINC001305556650 1068834882 /nfs/dbraw/zinc/83/48/82/1068834882.db2.gz NWKQIXIYOKGQLJ-HNAYVOBHSA-N 0 0 486.013 3.198 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CC(=O)N1CCOCC1 ZINC001305557055 1068835285 /nfs/dbraw/zinc/83/52/85/1068835285.db2.gz PRJSRTUXXDTKKN-DNVCBOLYSA-N 0 0 465.957 3.021 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CC(=O)N1CCOCC1 ZINC001305557056 1068835304 /nfs/dbraw/zinc/83/53/04/1068835304.db2.gz PRJSRTUXXDTKKN-HNAYVOBHSA-N 0 0 465.957 3.021 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1CC1(C(N)=O)CCOCC1 ZINC001305558285 1068835869 /nfs/dbraw/zinc/83/58/69/1068835869.db2.gz XVHDUMREVDWYBW-LPHOPBHVSA-N 0 0 461.994 3.305 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1CCNC(=O)c1cccc(C)c1 ZINC001305559134 1068837108 /nfs/dbraw/zinc/83/71/08/1068837108.db2.gz ZNNCWSOETRYOIV-KBMIEXCESA-N 0 0 465.602 3.016 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001305559979 1068837595 /nfs/dbraw/zinc/83/75/95/1068837595.db2.gz KIQOANCYLCVTME-AVRDEDQJSA-N 0 0 470.618 3.166 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1CC(=O)NCCc1ccccc1 ZINC001305560979 1068837726 /nfs/dbraw/zinc/83/77/26/1068837726.db2.gz FERGFGHOQOVWSB-IEBWSBKVSA-N 0 0 454.600 3.185 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001305561356 1068838057 /nfs/dbraw/zinc/83/80/57/1068838057.db2.gz ITSXWDUFKVMRCE-HOYKHHGWSA-N 0 0 461.607 3.355 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1CC(=O)NCC(F)(F)F ZINC001305561672 1068838303 /nfs/dbraw/zinc/83/83/03/1068838303.db2.gz OUUFPYNNRZHXMD-AEFFLSMTSA-N 0 0 453.509 3.308 20 0 JGADRN CC[C@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1CC(F)(F)C1(OC)CCOCC1 ZINC001305561944 1068838646 /nfs/dbraw/zinc/83/86/46/1068838646.db2.gz JULMVLDQOMSLPB-KRWDZBQOSA-N 0 0 458.550 3.008 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@@H](COC(C)C)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001305562264 1068838933 /nfs/dbraw/zinc/83/89/33/1068838933.db2.gz MMZGKDTZJIAQIP-IPMKNSEASA-N 0 0 477.572 3.075 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001305562123 1068838958 /nfs/dbraw/zinc/83/89/58/1068838958.db2.gz GLHWJLCZAGKNIH-IEBWSBKVSA-N 0 0 451.662 3.348 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@H](COC(C)C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001305562230 1068839020 /nfs/dbraw/zinc/83/90/20/1068839020.db2.gz MMSQGVTWPVCMKH-HOTGVXAUSA-N 0 0 471.528 3.343 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1CC1(COC)CCOCC1 ZINC001305562469 1068839370 /nfs/dbraw/zinc/83/93/70/1068839370.db2.gz HGOPXFBPWYWEOO-ROUUACIJSA-N 0 0 462.595 3.319 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001305564848 1068841303 /nfs/dbraw/zinc/84/13/03/1068841303.db2.gz WYPXFIFYWHEFOL-YZZKKUAISA-N 0 0 458.994 3.455 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305565484 1068842226 /nfs/dbraw/zinc/84/22/26/1068842226.db2.gz YIMCWYCESGFERZ-PGRDOPGGSA-N 0 0 451.575 3.209 20 0 JGADRN CC[C@H](C)c1nnc(N2CCO[C@H](c3cnn(CC)c3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001305565967 1068842264 /nfs/dbraw/zinc/84/22/64/1068842264.db2.gz NKIDVUYWQNJSOX-HKUYNNGSSA-N 0 0 461.611 3.453 20 0 JGADRN CC[C@@H](C)c1nnc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305566051 1068842337 /nfs/dbraw/zinc/84/23/37/1068842337.db2.gz ZUSFBCTZVIFKBK-SJLPKXTDSA-N 0 0 461.517 3.247 20 0 JGADRN CC[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001305569220 1068843905 /nfs/dbraw/zinc/84/39/05/1068843905.db2.gz LDIFACWUNGQCMJ-SJLPKXTDSA-N 0 0 477.631 3.347 20 0 JGADRN CC[C@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCc1c(OC)cc(OC)cc1OC ZINC001305569180 1068843939 /nfs/dbraw/zinc/84/39/39/1068843939.db2.gz KUSPCGCPZRKHMS-ABSDTBQOSA-N 0 0 471.602 3.117 20 0 JGADRN CC[C@@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001305569589 1068844458 /nfs/dbraw/zinc/84/44/58/1068844458.db2.gz MSWHALOKBCZLSX-OIISXLGYSA-N 0 0 482.507 3.305 20 0 JGADRN CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001305570956 1068844982 /nfs/dbraw/zinc/84/49/82/1068844982.db2.gz TXICNYCIWCRKOR-ILZDJORESA-N 0 0 488.608 3.378 20 0 JGADRN NC(=O)[C@@H](NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(Cl)cc1 ZINC001305570854 1068844990 /nfs/dbraw/zinc/84/49/90/1068844990.db2.gz OCPAHRRCLBWUPE-YJBOKZPZSA-N 0 0 457.861 3.433 20 0 JGADRN CC[C@@H](C)c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC1(c2ccccc2C)CCOCC1 ZINC001305571525 1068845570 /nfs/dbraw/zinc/84/55/70/1068845570.db2.gz BYJRYBLGKACPAG-SYYKKAFVSA-N 0 0 470.614 3.209 20 0 JGADRN CC[C@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001305571893 1068845582 /nfs/dbraw/zinc/84/55/82/1068845582.db2.gz ZXKZISOCKMOGHU-QGWWYQLQSA-N 0 0 462.545 3.307 20 0 JGADRN CC[C@H](C)c1nnc(N2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)n1CC[C@H](OC)C(F)(F)F ZINC001305572590 1068846267 /nfs/dbraw/zinc/84/62/67/1068846267.db2.gz DNLNXXOZWNOWBN-FZKCQIBNSA-N 0 0 471.528 3.263 20 0 JGADRN CC[C@H](C)c1nnc(N2C[C@@H](OC)[C@@H](OC)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001305572853 1068846584 /nfs/dbraw/zinc/84/65/84/1068846584.db2.gz FNCMPUAVPUYHPC-UYHISHBKSA-N 0 0 454.474 3.020 20 0 JGADRN CC[C@@H](C)c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@@H]1CCCc2cc(OC)ccc21 ZINC001305574149 1068847316 /nfs/dbraw/zinc/84/73/16/1068847316.db2.gz VRGOCDWSSGNOBT-ITBLURSFSA-N 0 0 456.587 3.281 20 0 JGADRN CC[C@H](C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CCCOC[C@H]1CCCO1 ZINC001305574552 1068847873 /nfs/dbraw/zinc/84/78/73/1068847873.db2.gz YCLFOTDSSRSIMW-RGKFVRLKSA-N 0 0 463.623 3.481 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(N)=O)c1 ZINC001305575152 1068848340 /nfs/dbraw/zinc/84/83/40/1068848340.db2.gz DJZREMVNNYQAOP-MRXNPFEDSA-N 0 0 483.642 3.176 20 0 JGADRN CC[C@H](C)CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001305575909 1068848801 /nfs/dbraw/zinc/84/88/01/1068848801.db2.gz FNSCEEYWFRMDDS-LPHOPBHVSA-N 0 0 461.632 3.454 20 0 JGADRN CC[C@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C ZINC001305576221 1068848873 /nfs/dbraw/zinc/84/88/73/1068848873.db2.gz DXSWDLWAIPQZMS-INIZCTEOSA-N 0 0 459.620 3.226 20 0 JGADRN CC[C@H](C)CN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001305577351 1068849896 /nfs/dbraw/zinc/84/98/96/1068849896.db2.gz KOQBXRCBMHEVBP-IRXDYDNUSA-N 0 0 450.605 3.269 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001305577967 1068850415 /nfs/dbraw/zinc/85/04/15/1068850415.db2.gz MHEVSNUIDAYYPS-AMGIVPHBSA-N 0 0 498.672 3.150 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2nccn2C1 ZINC001305578737 1068850565 /nfs/dbraw/zinc/85/05/65/1068850565.db2.gz RGOYXGXACUJIOP-MSOLQXFVSA-N 0 0 456.616 3.290 20 0 JGADRN CC[C@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001305579819 1068850983 /nfs/dbraw/zinc/85/09/83/1068850983.db2.gz WTWADAHHHQKUIC-FHWLQOOXSA-N 0 0 457.623 3.296 20 0 JGADRN CC[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001305580910 1068852448 /nfs/dbraw/zinc/85/24/48/1068852448.db2.gz WMGKOFYCJQWFKC-BZSNNMDCSA-N 0 0 486.683 3.018 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCCC(=O)N(C)C ZINC001305582938 1068853056 /nfs/dbraw/zinc/85/30/56/1068853056.db2.gz AJTBATAAGRGPOY-QGZVFWFLSA-N 0 0 453.591 3.026 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 ZINC001305583252 1068853519 /nfs/dbraw/zinc/85/35/19/1068853519.db2.gz VSGGWMPCWHZBMX-QGZVFWFLSA-N 0 0 456.616 3.261 20 0 JGADRN CC[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001305584557 1068853975 /nfs/dbraw/zinc/85/39/75/1068853975.db2.gz HYFWSLCGLCFVLZ-FKSLSLAPSA-N 0 0 460.623 3.215 20 0 JGADRN CC[C@H](C)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 ZINC001305584319 1068854267 /nfs/dbraw/zinc/85/42/67/1068854267.db2.gz BTUOSYPRKVDYBB-ROUUACIJSA-N 0 0 451.612 3.374 20 0 JGADRN CC[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C ZINC001305584428 1068854285 /nfs/dbraw/zinc/85/42/85/1068854285.db2.gz BVIIBYCOCCRQPQ-LSDHHAIUSA-N 0 0 465.023 3.251 20 0 JGADRN CC[C@H](C)CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCCN1CCCCC1=O ZINC001305584575 1068854671 /nfs/dbraw/zinc/85/46/71/1068854671.db2.gz IFHDJPJQOASIPG-KRWDZBQOSA-N 0 0 451.575 3.479 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CC(F)(F)F ZINC001305586286 1068855923 /nfs/dbraw/zinc/85/59/23/1068855923.db2.gz LCKSFEVHMRFGAG-QGZVFWFLSA-N 0 0 468.572 3.429 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 ZINC001305587599 1068856979 /nfs/dbraw/zinc/85/69/79/1068856979.db2.gz UFFJHAAFHKKARN-OPAMFIHVSA-N 0 0 488.658 3.240 20 0 JGADRN CC[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001305587242 1068857006 /nfs/dbraw/zinc/85/70/06/1068857006.db2.gz ROHLBGNCDWMLOS-RYLXDESZSA-N 0 0 479.622 3.351 20 0 JGADRN CC[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 ZINC001305587481 1068857100 /nfs/dbraw/zinc/85/71/00/1068857100.db2.gz QFRNVOCUGUKQRM-GCKMJXCFSA-N 0 0 452.646 3.212 20 0 JGADRN 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CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001298920972 1064721384 /nfs/dbraw/zinc/72/13/84/1064721384.db2.gz IAACWBJGUUIWBQ-INIZCTEOSA-N 0 0 461.994 3.145 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](COC)C1 ZINC001298921431 1064722204 /nfs/dbraw/zinc/72/22/04/1064722204.db2.gz LNIIAMKMQOOCMJ-CQSZACIVSA-N 0 0 482.398 3.482 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001298921752 1064722588 /nfs/dbraw/zinc/72/25/88/1064722588.db2.gz OBROPDPGVFHIAJ-UHFFFAOYSA-N 0 0 498.031 3.097 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001298922700 1064723076 /nfs/dbraw/zinc/72/30/76/1064723076.db2.gz XLVSGMYUUVRSNA-ZDUSSCGKSA-N 0 0 483.400 3.301 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 ZINC001298925292 1064723994 /nfs/dbraw/zinc/72/39/94/1064723994.db2.gz AUOAXVZCJCXLGE-UHFFFAOYSA-N 0 0 481.576 3.197 20 0 JGADRN 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CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001298926478 1064725543 /nfs/dbraw/zinc/72/55/43/1064725543.db2.gz ZNXVXWNEJKOVEU-KRWDZBQOSA-N 0 0 485.633 3.242 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001298927332 1064726939 /nfs/dbraw/zinc/72/69/39/1064726939.db2.gz JDCLNMCBNHWZMX-MRXNPFEDSA-N 0 0 494.434 3.110 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001298928426 1064727902 /nfs/dbraw/zinc/72/79/02/1064727902.db2.gz RZOSONDMHSDBAC-KRWDZBQOSA-N 0 0 456.591 3.163 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001298928967 1064728466 /nfs/dbraw/zinc/72/84/66/1064728466.db2.gz VKYNZTAICXPLBA-UHFFFAOYSA-N 0 0 482.560 3.308 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001298930163 1064728823 /nfs/dbraw/zinc/72/88/23/1064728823.db2.gz ASGDLRDULAYDAL-UHFFFAOYSA-N 0 0 472.609 3.178 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCCc2ccccc2)CC1 ZINC001298932574 1064729158 /nfs/dbraw/zinc/72/91/58/1064729158.db2.gz LHCLOXHRNSDYFG-NRFANRHFSA-N 0 0 469.630 3.172 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSC[C@H]1C ZINC001298932036 1064729174 /nfs/dbraw/zinc/72/91/74/1064729174.db2.gz JYVNFFYZVVDJCQ-MRXNPFEDSA-N 0 0 480.679 3.107 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSC[C@@H]1C ZINC001298932035 1064729297 /nfs/dbraw/zinc/72/92/97/1064729297.db2.gz JYVNFFYZVVDJCQ-INIZCTEOSA-N 0 0 480.679 3.107 20 0 JGADRN CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)c3c[nH]nc3-c3ccccc3)C2)nn1 ZINC001298933561 1064729681 /nfs/dbraw/zinc/72/96/81/1064729681.db2.gz AYVFWIVUTWBRIY-SFHVURJKSA-N 0 0 451.531 3.170 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(C2CCC2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC001298933727 1064729801 /nfs/dbraw/zinc/72/98/01/1064729801.db2.gz RKDNGWNDEYBHBD-INIZCTEOSA-N 0 0 454.575 3.472 20 0 JGADRN CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)c3cc4ccccc4c(=O)[nH]3)C2)nn1 ZINC001298934274 1064730240 /nfs/dbraw/zinc/73/02/40/1064730240.db2.gz MMUUIMSXAWPIBS-KRWDZBQOSA-N 0 0 452.515 3.034 20 0 JGADRN CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C(=O)c3cncc(C(F)(F)F)c3)C2)nn1 ZINC001298938042 1064733056 /nfs/dbraw/zinc/73/30/56/1064733056.db2.gz SYAUULVZMWUNFG-MRXNPFEDSA-N 0 0 454.453 3.194 20 0 JGADRN CCON1CCC(CC(=O)N2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC001298940034 1064733434 /nfs/dbraw/zinc/73/34/34/1064733434.db2.gz YKQFVKNHZZRHQS-RBBKRZOGSA-N 0 0 453.624 3.351 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001298939687 1064733527 /nfs/dbraw/zinc/73/35/27/1064733527.db2.gz VCQZLEZVQYPECX-QGZVFWFLSA-N 0 0 466.369 3.462 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(Cc2ccccc2OC)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001298942222 1064734470 /nfs/dbraw/zinc/73/44/70/1064734470.db2.gz QSJQSJYBGMTJFH-MRXNPFEDSA-N 0 0 456.616 3.346 20 0 JGADRN 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/nfs/dbraw/zinc/73/98/61/1064739861.db2.gz KMBPVFRUVNXFBU-QHCPKHFHSA-N 0 0 465.545 3.006 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(N2CCSC3(CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001298948798 1064740037 /nfs/dbraw/zinc/74/00/37/1064740037.db2.gz ANEMURXCYIKTEG-XMMPIXPASA-N 0 0 479.691 3.347 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCCO1 ZINC001298949524 1064740268 /nfs/dbraw/zinc/74/02/68/1064740268.db2.gz GOHXFODQMDUPQU-MSOLQXFVSA-N 0 0 478.638 3.128 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(NC(C)=O)CC1 ZINC001298949097 1064740473 /nfs/dbraw/zinc/74/04/73/1064740473.db2.gz MGHGKUGONNNZOZ-UHFFFAOYSA-N 0 0 497.427 3.041 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001298949937 1064741049 /nfs/dbraw/zinc/74/10/49/1064741049.db2.gz OQLQVXQOZLDUIG-VQIMIIECSA-N 0 0 473.643 3.355 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(N2CCC(n3c4ccccc4[nH]c3=O)CC2)nnc1C(C)(C)C ZINC001298951046 1064741804 /nfs/dbraw/zinc/74/18/04/1064741804.db2.gz NYVANRLOBLABGD-UHFFFAOYSA-N 0 0 453.591 3.245 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001298951165 1064741836 /nfs/dbraw/zinc/74/18/36/1064741836.db2.gz UFJZERKDVZSUDJ-UHFFFAOYSA-N 0 0 472.952 3.380 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001298951279 1064741874 /nfs/dbraw/zinc/74/18/74/1064741874.db2.gz WGVYTRIDTOEHAZ-SFHVURJKSA-N 0 0 459.566 3.021 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001298951278 1064741920 /nfs/dbraw/zinc/74/19/20/1064741920.db2.gz WGVYTRIDTOEHAZ-GOSISDBHSA-N 0 0 459.566 3.021 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCOC2(CCCC2)C1 ZINC001298951209 1064741931 /nfs/dbraw/zinc/74/19/31/1064741931.db2.gz UTSHUQQGVDOMKL-UHFFFAOYSA-N 0 0 461.994 3.432 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001298951520 1064742469 /nfs/dbraw/zinc/74/24/69/1064742469.db2.gz ZAGKLRRCTZMKAA-IBGZPJMESA-N 0 0 475.659 3.281 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001298951768 1064742865 /nfs/dbraw/zinc/74/28/65/1064742865.db2.gz UXTOXTOOVFMTMD-QGZVFWFLSA-N 0 0 464.408 3.343 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001298951726 1064742974 /nfs/dbraw/zinc/74/29/74/1064742974.db2.gz ZXMXBLOVVHMLOG-WNKDZCFJSA-N 0 0 480.679 3.151 20 0 JGADRN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC001298954153 1064745089 /nfs/dbraw/zinc/74/50/89/1064745089.db2.gz XXATXXLCBIFADZ-XHNVNVPESA-N 0 0 453.539 3.159 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1c[nH]c2cc(C)ccc12 ZINC001298954276 1064745650 /nfs/dbraw/zinc/74/56/50/1064745650.db2.gz ARDBZRYGXNGWQW-SIBVEZHUSA-N 0 0 482.629 3.169 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(C(C)(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001298954607 1064745949 /nfs/dbraw/zinc/74/59/49/1064745949.db2.gz VTYQRMYWLXZRGD-DLBZAZTESA-N 0 0 462.639 3.184 20 0 JGADRN 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CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1CCc1nccs1 ZINC001298955821 1064747371 /nfs/dbraw/zinc/74/73/71/1064747371.db2.gz KSDJBEAWXAMJIM-CYBMUJFWSA-N 0 0 463.405 3.225 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cn2ccc(C)cc2n1 ZINC001298956273 1064747794 /nfs/dbraw/zinc/74/77/94/1064747794.db2.gz NMEMTTXZYXRYPJ-INIZCTEOSA-N 0 0 451.962 3.421 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1Cc1c(C)noc1C ZINC001298958108 1064748373 /nfs/dbraw/zinc/74/83/73/1064748373.db2.gz SDXALDYGFBNXNG-LBPRGKRZSA-N 0 0 461.364 3.179 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1 ZINC001298961204 1064749382 /nfs/dbraw/zinc/74/93/82/1064749382.db2.gz ZZZKZBHPYIWEEA-DZGCQCFKSA-N 0 0 469.453 3.150 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1Cc1cc(COC(C)(C)C)on1 ZINC001298962687 1064749810 /nfs/dbraw/zinc/74/98/10/1064749810.db2.gz BMBFTDAVVHGNPW-INIZCTEOSA-N 0 0 470.574 3.123 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCOC[C@H]1OC ZINC001298963144 1064750289 /nfs/dbraw/zinc/75/02/89/1064750289.db2.gz CLTRLODIVLGSQA-MJQMVNBJSA-N 0 0 475.659 3.001 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC=CO1 ZINC001298963059 1064750320 /nfs/dbraw/zinc/75/03/20/1064750320.db2.gz BWFACLZFBCAXTE-GDBMZVCRSA-N 0 0 478.391 3.227 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001298964159 1064750367 /nfs/dbraw/zinc/75/03/67/1064750367.db2.gz HMAXULXSSJHUAA-FXAWDEMLSA-N 0 0 488.633 3.321 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)OC(C)(C)C ZINC001298962714 1064750419 /nfs/dbraw/zinc/75/04/19/1064750419.db2.gz BSFMIMNHWVUOSE-HNNXBMFYSA-N 0 0 456.547 3.034 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001298963715 1064750487 /nfs/dbraw/zinc/75/04/87/1064750487.db2.gz FTZQCOFTMCOCID-KRWDZBQOSA-N 0 0 488.596 3.018 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001298963704 1064750511 /nfs/dbraw/zinc/75/05/11/1064750511.db2.gz FMAWNZREPQGQTL-QGZVFWFLSA-N 0 0 477.675 3.274 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1 ZINC001298964960 1064752435 /nfs/dbraw/zinc/75/24/35/1064752435.db2.gz LKXSELFCGZEOOS-LSDHHAIUSA-N 0 0 481.544 3.225 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc3ccccc3o2)n1CCC(=O)N1CCCCCC1 ZINC001298965406 1064753042 /nfs/dbraw/zinc/75/30/42/1064753042.db2.gz NLYOZLWRMOPMCM-SFHVURJKSA-N 0 0 466.586 3.302 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C)o2)n1CCNc1ncc(Cl)cc1Cl ZINC001298965505 1064753529 /nfs/dbraw/zinc/75/35/29/1064753529.db2.gz GWVJUKBLIDSEIC-LBPRGKRZSA-N 0 0 466.373 3.479 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCc1nnc2n1CCCCC2 ZINC001298965529 1064753594 /nfs/dbraw/zinc/75/35/94/1064753594.db2.gz HAKFNKLBLIGWSQ-HNNXBMFYSA-N 0 0 488.999 3.117 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ncccc1C ZINC001298965704 1064754058 /nfs/dbraw/zinc/75/40/58/1064754058.db2.gz QXQGCVYAPISVHV-HNNXBMFYSA-N 0 0 457.376 3.278 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC001298965562 1064754113 /nfs/dbraw/zinc/75/41/13/1064754113.db2.gz HFCVJZMZSZCOAK-PXNSSMCTSA-N 0 0 499.015 3.336 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(OC)ccc1OC(F)F ZINC001298966119 1064755379 /nfs/dbraw/zinc/75/53/79/1064755379.db2.gz LGKBCZAGBKOWST-ZDUSSCGKSA-N 0 0 494.930 3.470 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001298966074 1064755411 /nfs/dbraw/zinc/75/54/11/1064755411.db2.gz KPVFRQQGLMQDCB-HOTGVXAUSA-N 0 0 468.627 3.402 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1NC(=O)CC1(C)C ZINC001298966743 1064756871 /nfs/dbraw/zinc/75/68/71/1064756871.db2.gz XFONYQITYLTNNK-KXBFYZLASA-N 0 0 472.659 3.009 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@](C)(O)c1ccsc1 ZINC001298967285 1064757305 /nfs/dbraw/zinc/75/73/05/1064757305.db2.gz ZKDZSZSZVVCBQF-CMJOXMDJSA-N 0 0 453.568 3.479 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@H]1CCCCO1 ZINC001298967466 1064757449 /nfs/dbraw/zinc/75/74/49/1064757449.db2.gz ZLESQSIXEIIDFY-MAUKXSAKSA-N 0 0 464.408 3.485 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C(=O)N(C)C)CCCC1 ZINC001298967417 1064757929 /nfs/dbraw/zinc/75/79/29/1064757929.db2.gz QROLSHCSWYDIHO-MRXNPFEDSA-N 0 0 491.036 3.074 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001298968137 1064758358 /nfs/dbraw/zinc/75/83/58/1064758358.db2.gz WDCYUMYCNXVVRF-LPXYKDPNSA-N 0 0 479.984 3.284 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001298968722 1064759338 /nfs/dbraw/zinc/75/93/38/1064759338.db2.gz BVRKSKYXAQYRJR-KRWDZBQOSA-N 0 0 458.570 3.009 20 0 JGADRN 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DNLAOYUVHODSJX-AWEZNQCLSA-N 0 0 468.505 3.427 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(n2)CCCC3)cc1 ZINC001492217347 1065327727 /nfs/dbraw/zinc/32/77/27/1065327727.db2.gz NSUCLZSWMGUZME-QGZVFWFLSA-N 0 0 454.600 3.287 20 0 JGADRN Cc1ccc(N(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492217504 1065327737 /nfs/dbraw/zinc/32/77/37/1065327737.db2.gz OVUBLQPPBGNSCV-WOJBJXKFSA-N 0 0 454.619 3.478 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)(F)C3)n2CCCN2CCOC2=O)cc1C ZINC001492238294 1065328425 /nfs/dbraw/zinc/32/84/25/1065328425.db2.gz OXTWLMRJVCUURF-UHFFFAOYSA-N 0 0 476.528 3.471 20 0 JGADRN Cc1ccc(N(C)c2nnc(-c3cc(Br)cn3C)n2CCOCCS(C)(=O)=O)cc1 ZINC001492220883 1065328642 /nfs/dbraw/zinc/32/86/42/1065328642.db2.gz JUWFUZKMYSRCKS-UHFFFAOYSA-N 0 0 496.431 3.184 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C(F)(F)F)CC2=O)cc1 ZINC001492227396 1065329833 /nfs/dbraw/zinc/32/98/33/1065329833.db2.gz KRZSLXSFDUYPQO-UHFFFAOYSA-N 0 0 466.508 3.166 20 0 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Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CCc2nccs2)cc1C ZINC001492233217 1065334345 /nfs/dbraw/zinc/33/43/45/1065334345.db2.gz YVONWYCSIAIDGV-SJORKVTESA-N 0 0 490.655 3.104 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)cc1C ZINC001492234223 1065334733 /nfs/dbraw/zinc/33/47/33/1065334733.db2.gz AJXMIGZEMVVUJZ-QGZVFWFLSA-N 0 0 489.502 3.424 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)C3CCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492235825 1065336090 /nfs/dbraw/zinc/33/60/90/1065336090.db2.gz WMQJBRRDOQRAOI-LJQANCHMSA-N 0 0 480.535 3.399 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CCCNc2ccccn2)cc1C ZINC001492237281 1065336655 /nfs/dbraw/zinc/33/66/55/1065336655.db2.gz HIADZAXOVZMFMM-UHFFFAOYSA-N 0 0 473.585 3.414 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCCc3ccccn3)n2Cc2cnn(C)c2)cc1C ZINC001492240113 1065337545 /nfs/dbraw/zinc/33/75/45/1065337545.db2.gz DCJPSIZWRBVHCH-UHFFFAOYSA-N 0 0 458.570 3.393 20 0 JGADRN 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Cc1ccc(NC(=O)c2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1C ZINC001492251030 1065351870 /nfs/dbraw/zinc/35/18/70/1065351870.db2.gz VVLDOSOWVQWQHV-WOJBJXKFSA-N 0 0 473.643 3.454 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCSC(C)C)cc1C ZINC001492252826 1065352693 /nfs/dbraw/zinc/35/26/93/1065352693.db2.gz BQGNXTLSLVBILN-QHCPKHFHSA-N 0 0 456.616 3.148 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCS(C)(=O)=O)cc1C ZINC001492254697 1065354384 /nfs/dbraw/zinc/35/43/84/1065354384.db2.gz MWKGIPJJNMOXDV-MRXNPFEDSA-N 0 0 469.558 3.063 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC001492254710 1065354558 /nfs/dbraw/zinc/35/45/58/1065354558.db2.gz MYXPFOFBBYSUQD-DLBZAZTESA-N 0 0 481.569 3.063 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CSCCS2)cc1C ZINC001492254867 1065355046 /nfs/dbraw/zinc/35/50/46/1065355046.db2.gz PGZIRDABGNKIMJ-PKOBYXMFSA-N 0 0 488.683 3.088 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C)C3)n2CC2CCS(=O)(=O)CC2)cc1C ZINC001492255535 1065355584 /nfs/dbraw/zinc/35/55/84/1065355584.db2.gz UVCJWOJVAKVZGW-MRXNPFEDSA-N 0 0 459.616 3.208 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C)C3)n2CC2CCS(=O)(=O)CC2)cc1C ZINC001492255531 1065355601 /nfs/dbraw/zinc/35/56/01/1065355601.db2.gz UVCJWOJVAKVZGW-INIZCTEOSA-N 0 0 459.616 3.208 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)F)C3)n2CC2(CS(C)(=O)=O)CC2)cc1C ZINC001492255151 1065355612 /nfs/dbraw/zinc/35/56/12/1065355612.db2.gz RTGGPZNKOSXAIV-KRWDZBQOSA-N 0 0 495.596 3.454 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCC(C)(C)O)cc1C ZINC001492265662 1065357471 /nfs/dbraw/zinc/35/74/71/1065357471.db2.gz BLNRWUZNZSYLIF-KRWDZBQOSA-N 0 0 482.551 3.381 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492265424 1065357516 /nfs/dbraw/zinc/35/75/16/1065357516.db2.gz HRLHKKIFRUDHFH-LVXARBLLSA-N 0 0 484.645 3.295 20 0 JGADRN Cc1noc(C)c1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001492265699 1065358013 /nfs/dbraw/zinc/35/80/13/1065358013.db2.gz CNFUJGBANYMYAK-UHFFFAOYSA-N 0 0 491.518 3.485 20 0 JGADRN Cc1noc(C)c1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001492265687 1065358101 /nfs/dbraw/zinc/35/81/01/1065358101.db2.gz CCUFKRXEODOCEV-UHFFFAOYSA-N 0 0 487.555 3.382 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(c4nccnc4C)CC3)n2CCCCCCO)cc1C ZINC001492265904 1065358779 /nfs/dbraw/zinc/35/87/79/1065358779.db2.gz GZQKIVZAFJQSKY-UHFFFAOYSA-N 0 0 492.628 3.125 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]4CCC[C@@H]43)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492266020 1065360246 /nfs/dbraw/zinc/36/02/46/1065360246.db2.gz NFBUSQRAJGELRA-CTNGQTDRSA-N 0 0 488.658 3.244 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492266068 1065360992 /nfs/dbraw/zinc/36/09/92/1065360992.db2.gz NKMIJRYXFCLYJA-IEBWSBKVSA-N 0 0 480.535 3.399 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN4C(=O)N(CC(C)C)C[C@H]4C3)n2CCOC(C)C)cc1C ZINC001492267271 1065363515 /nfs/dbraw/zinc/36/35/15/1065363515.db2.gz QVOAPEKDZYKZQE-JOCHJYFZSA-N 0 0 497.644 3.154 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H]3c3nncn3C)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492268932 1065364676 /nfs/dbraw/zinc/36/46/76/1065364676.db2.gz ZYHZONZZPYJDLQ-NTKDMRAZSA-N 0 0 466.590 3.024 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(C)(C)O)cc1C ZINC001492269344 1065365616 /nfs/dbraw/zinc/36/56/16/1065365616.db2.gz YKHIITHDYSBIPF-UHFFFAOYSA-N 0 0 486.617 3.365 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](c4noc(C(C)C)n4)C3)n2CC(C)(C)O)cc1C ZINC001492273759 1065366582 /nfs/dbraw/zinc/36/65/82/1065366582.db2.gz LQQPDCXMZSAQKY-SFHVURJKSA-N 0 0 483.573 3.002 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@@](C)(O)c2ccco2)cc1C ZINC001492273517 1065366855 /nfs/dbraw/zinc/36/68/55/1065366855.db2.gz FRCHIHODPHUGRY-QFQXNSOFSA-N 0 0 497.596 3.278 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCCCO)cc1C ZINC001492273803 1065367434 /nfs/dbraw/zinc/36/74/34/1065367434.db2.gz MYEXXGKZHUPWCK-KRWDZBQOSA-N 0 0 455.481 3.077 20 0 JGADRN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCc3ccccc3F)C2)nc1 ZINC001492276150 1065370269 /nfs/dbraw/zinc/37/02/69/1065370269.db2.gz NOTXLRLRCNGJRU-FQEVSTJZSA-N 0 0 493.587 3.357 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@](C)(O)c2cccs2)cc1C ZINC001492276334 1065370611 /nfs/dbraw/zinc/37/06/11/1065370611.db2.gz OHJACGAXMGQHDO-LNZPYGSCSA-N 0 0 469.611 3.324 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1C ZINC001492276744 1065371123 /nfs/dbraw/zinc/37/11/23/1065371123.db2.gz QTLOJTUOLITCTO-FXKZBUDASA-N 0 0 477.556 3.415 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCC(F)(F)F)C2)nc1 ZINC001492276397 1065371361 /nfs/dbraw/zinc/37/13/61/1065371361.db2.gz PENLMGLGXVVLJE-MRXNPFEDSA-N 0 0 481.523 3.317 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc([C@@H]4CCCOC4)n3CCCCCCO)CC2)nc1 ZINC001492280242 1065372409 /nfs/dbraw/zinc/37/24/09/1065372409.db2.gz DVFKQEKMOSNEGV-OAQYLSRUSA-N 0 0 470.618 3.283 20 0 JGADRN Cc1cc([C@@](C)(O)Cn2c(C)nnc2N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c(C)o1 ZINC001492281051 1065373968 /nfs/dbraw/zinc/37/39/68/1065373968.db2.gz NKRZNDUPOATGOS-DEOSSOPVSA-N 0 0 452.559 3.263 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)(C)C)n3CC3([S@@](C)=O)CCC3)CC2)nc1 ZINC001492281285 1065374561 /nfs/dbraw/zinc/37/45/61/1065374561.db2.gz QETLZHRYLJHNQS-MGBGTMOVSA-N 0 0 472.659 3.435 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(C)C)cs2)cc1 ZINC001492286333 1065378448 /nfs/dbraw/zinc/37/84/48/1065378448.db2.gz BTOKSUJFTRLODR-QGZVFWFLSA-N 0 0 467.599 3.241 20 0 JGADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@]3(C)CN(C)C3=O)C2)cc1 ZINC001492287083 1065379834 /nfs/dbraw/zinc/37/98/34/1065379834.db2.gz AORVZXVPACOGKE-FNZWTVRRSA-N 0 0 481.645 3.301 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 ZINC001492287351 1065380468 /nfs/dbraw/zinc/38/04/68/1065380468.db2.gz CILNNZFUFQKOIQ-RTWAWAEBSA-N 0 0 484.645 3.181 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@@](C)=O)CC2)cc1 ZINC001492287764 1065380977 /nfs/dbraw/zinc/38/09/77/1065380977.db2.gz HJEQVTGSAVLSFE-VTSXRKMTSA-N 0 0 487.670 3.491 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC2=CCCOC2)cs1 ZINC001492288021 1065381762 /nfs/dbraw/zinc/38/17/62/1065381762.db2.gz JPXYAKMRLSILFK-UHFFFAOYSA-N 0 0 452.584 3.364 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001492287961 1065381787 /nfs/dbraw/zinc/38/17/87/1065381787.db2.gz JBGFRSPFMZQXOZ-QGZVFWFLSA-N 0 0 481.519 3.184 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cccs2)cc1 ZINC001492288074 1065381953 /nfs/dbraw/zinc/38/19/53/1065381953.db2.gz VQYQBCCRUQZITC-UHFFFAOYSA-N 0 0 463.567 3.148 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@H]2CCCC[C@@H]2C)cc1 ZINC001492288503 1065383345 /nfs/dbraw/zinc/38/33/45/1065383345.db2.gz YJQXJVLHVKPKMT-JBACZVJFSA-N 0 0 468.602 3.208 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(N3CCN([C@H](C)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001492301067 1065384713 /nfs/dbraw/zinc/38/47/13/1065384713.db2.gz AFGHSRUMWKVAKZ-WOJBJXKFSA-N 0 0 468.646 3.141 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(CC(F)F)CC2)cc1 ZINC001492301170 1065384738 /nfs/dbraw/zinc/38/47/38/1065384738.db2.gz AORVTKLOOLFGRJ-IBGZPJMESA-N 0 0 456.541 3.427 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC(=O)N(C)C)cc1C ZINC001492239134 1065384859 /nfs/dbraw/zinc/38/48/59/1065384859.db2.gz ZADCQQGSFZMWJV-UHFFFAOYSA-N 0 0 495.531 3.347 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(N(C)Cc3cnn(C)c3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001492302115 1065385410 /nfs/dbraw/zinc/38/54/10/1065385410.db2.gz FOGTTWICCUQXRM-NBGIEHNGSA-N 0 0 468.602 3.465 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(CC(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001492302367 1065385921 /nfs/dbraw/zinc/38/59/21/1065385921.db2.gz FQZWSZQGPVYDRG-QGZVFWFLSA-N 0 0 485.601 3.200 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc(C(C)(C)C)n3CCCn3cc(CO)nn3)CC2)cc1 ZINC001492302346 1065385957 /nfs/dbraw/zinc/38/59/57/1065385957.db2.gz FADZBEITCPPFLX-UHFFFAOYSA-N 0 0 453.591 3.106 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCCO3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC001492302438 1065386068 /nfs/dbraw/zinc/38/60/68/1065386068.db2.gz HJDDZZDRFZYLCJ-PKOBYXMFSA-N 0 0 484.569 3.491 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@H](C)[C@H]2C)c1 ZINC001492303046 1065386741 /nfs/dbraw/zinc/38/67/41/1065386741.db2.gz OZCOUYIDMBMKBA-BZUAXINKSA-N 0 0 486.610 3.469 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(CC(C)(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)c1 ZINC001492302797 1065386828 /nfs/dbraw/zinc/38/68/28/1065386828.db2.gz NHERPDZZUBJUQW-UHFFFAOYSA-N 0 0 485.601 3.343 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCC2CCOCC2)c1 ZINC001492303937 1065387337 /nfs/dbraw/zinc/38/73/37/1065387337.db2.gz UWCMPODCIJKIKY-GOSISDBHSA-N 0 0 463.529 3.440 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCNC(=O)CC2)cc1 ZINC001492305985 1065388000 /nfs/dbraw/zinc/38/80/00/1065388000.db2.gz PNLOXUYXVFXBER-SLFFLAALSA-N 0 0 498.628 3.151 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](Oc3ccccn3)C2)c1 ZINC001492305068 1065388255 /nfs/dbraw/zinc/38/82/55/1065388255.db2.gz MVJXJGXFWLYOMH-GOSISDBHSA-N 0 0 486.523 3.427 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(C)C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC001492307725 1065388815 /nfs/dbraw/zinc/38/88/15/1065388815.db2.gz VQHVYKUWECUHTK-UHFFFAOYSA-N 0 0 471.574 3.220 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2nc(C(F)(F)F)cs2)cc1 ZINC001492311166 1065389881 /nfs/dbraw/zinc/38/98/81/1065389881.db2.gz KKXIZGUWVLLABZ-ZDUSSCGKSA-N 0 0 468.505 3.389 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2nc(C(F)(F)F)cs2)cc1 ZINC001492311165 1065389926 /nfs/dbraw/zinc/38/99/26/1065389926.db2.gz KKXIZGUWVLLABZ-CYBMUJFWSA-N 0 0 468.505 3.389 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@](C)(O)c2cccs2)cc1C ZINC001492311556 1065390507 /nfs/dbraw/zinc/39/05/07/1065390507.db2.gz NIBOVDXCFGMWGK-FDDCHVKYSA-N 0 0 492.667 3.312 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2Cc2nccc(C(F)F)n2)cc1 ZINC001492311480 1065390515 /nfs/dbraw/zinc/39/05/15/1065390515.db2.gz MJQCODMFXFWXGE-HOTGVXAUSA-N 0 0 494.568 3.199 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H]3CC3(C)C)CC2)cc1 ZINC001492312047 1065391178 /nfs/dbraw/zinc/39/11/78/1065391178.db2.gz PLAKLXJPPSJCHK-MSOLQXFVSA-N 0 0 461.632 3.291 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@](C)(O)c2cccs2)cc1C ZINC001492311566 1065391259 /nfs/dbraw/zinc/39/12/59/1065391259.db2.gz NIBOVDXCFGMWGK-WZONZLPQSA-N 0 0 492.667 3.312 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2Cc2cn3ccsc3n2)cc1 ZINC001492313093 1065391268 /nfs/dbraw/zinc/39/12/68/1065391268.db2.gz UWTWZROPBAKUPP-IRXDYDNUSA-N 0 0 488.639 3.181 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@H]4CCOC4)n3CCNC(=O)C(C)(C)C)CC2)cc1 ZINC001492314047 1065391870 /nfs/dbraw/zinc/39/18/70/1065391870.db2.gz YZYRKRKQPDPEBF-IBGZPJMESA-N 0 0 455.603 3.301 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2Cc2ncccc2C)cc1C ZINC001492313994 1065391956 /nfs/dbraw/zinc/39/19/56/1065391956.db2.gz YCFFOQALXLQDDS-LJQANCHMSA-N 0 0 457.600 3.095 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@H]2CCCCS2(=O)=O)cc1C ZINC001492315445 1065392346 /nfs/dbraw/zinc/39/23/46/1065392346.db2.gz AMWFUTTXPDPIJN-AZUAARDMSA-N 0 0 464.657 3.383 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cc1 ZINC001492317388 1065393042 /nfs/dbraw/zinc/39/30/42/1065393042.db2.gz MMVKVMDREJFWSD-MIZPHKNDSA-N 0 0 476.643 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492317659 1065393697 /nfs/dbraw/zinc/39/36/97/1065393697.db2.gz OVMMHYHLNBNTLN-FPOVZHCZSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)cc1 ZINC001492318050 1065394118 /nfs/dbraw/zinc/39/41/18/1065394118.db2.gz SRZUQRROPHXPMK-PKOBYXMFSA-N 0 0 450.630 3.075 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2CCC3(C2)OCCO3)cc1 ZINC001492319787 1065394454 /nfs/dbraw/zinc/39/44/54/1065394454.db2.gz FGXIYXITAUYJMC-IBGZPJMESA-N 0 0 471.602 3.060 20 0 JGADRN Cc1c(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CCC2)cnn1C ZINC001492321192 1065395353 /nfs/dbraw/zinc/39/53/53/1065395353.db2.gz YHOZUTGVAGUNDO-UHFFFAOYSA-N 0 0 486.642 3.120 20 0 JGADRN Cc1cc(Cn2c(COc3ccc(C)cc3)nnc2N(C)CC(C)(C)CN2CCOCC2)on1 ZINC001492320631 1065395438 /nfs/dbraw/zinc/39/54/38/1065395438.db2.gz OYOLBESBQRYTPJ-UHFFFAOYSA-N 0 0 468.602 3.305 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001492322858 1065395894 /nfs/dbraw/zinc/39/58/94/1065395894.db2.gz BOPTXAQOUZKZBM-AOMKIAJQSA-N 0 0 494.518 3.094 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2cccc3cccnc32)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001545691784 1065396929 /nfs/dbraw/zinc/39/69/29/1065396929.db2.gz IRTYDLWBPLWUQY-PCCBWWKXSA-N 0 0 493.656 3.344 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001492324878 1065397691 /nfs/dbraw/zinc/39/76/91/1065397691.db2.gz FLYXVDGVBWEUKA-INIZCTEOSA-N 0 0 454.543 3.082 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2Cc2cnnn2C)cc1 ZINC001492325984 1065398282 /nfs/dbraw/zinc/39/82/82/1065398282.db2.gz UXYLXENZXIBVSL-UHFFFAOYSA-N 0 0 478.504 3.454 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CC(F)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1C ZINC001492329139 1065398956 /nfs/dbraw/zinc/39/89/56/1065398956.db2.gz CGBIIMRSDFMGCU-XEVCZEQESA-N 0 0 464.607 3.483 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@@H]2CCO[C@H](C)C2)cc1 ZINC001492326352 1065399073 /nfs/dbraw/zinc/39/90/73/1065399073.db2.gz YQAWTGRZSHPKIB-QZTJIDSGSA-N 0 0 475.544 3.474 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2CC[C@@H]2COCCO2)cc1C ZINC001492329686 1065399700 /nfs/dbraw/zinc/39/97/00/1065399700.db2.gz MBQYROVAERAMER-HXUWFJFHSA-N 0 0 457.600 3.415 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2CC(=O)NCc2ccco2)cc1 ZINC001492329780 1065401089 /nfs/dbraw/zinc/40/10/89/1065401089.db2.gz NNJPOEBLBNSMDP-UHFFFAOYSA-N 0 0 451.449 3.464 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)cc1C ZINC001492331096 1065401566 /nfs/dbraw/zinc/40/15/66/1065401566.db2.gz QQULKBNWSHNLQM-JOCHJYFZSA-N 0 0 476.643 3.304 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001492340749 1065402538 /nfs/dbraw/zinc/40/25/38/1065402538.db2.gz VBKUAVZXZLCHAJ-RBUKOAKNSA-N 0 0 486.617 3.088 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCN2CCOC[C@H]2C)cc1C ZINC001492336305 1065402708 /nfs/dbraw/zinc/40/27/08/1065402708.db2.gz ADWNOHSBKVJTIP-DYXWJJEUSA-N 0 0 497.562 3.351 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC001492337570 1065405418 /nfs/dbraw/zinc/40/54/18/1065405418.db2.gz MWZQRTCOLQCSMD-IBGZPJMESA-N 0 0 464.632 3.160 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCc2ccn(C)n2)cc1 ZINC001492338150 1065406058 /nfs/dbraw/zinc/40/60/58/1065406058.db2.gz KEMHDEKCTFIJFD-LPHOPBHVSA-N 0 0 464.492 3.298 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@]4(CCOC4)OC(C)(C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492339027 1065406873 /nfs/dbraw/zinc/40/68/73/1065406873.db2.gz MUKOESUSBZVFAX-AREMUKBSSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1csc([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N(C)CCS(C)(=O)=O)n1 ZINC001492339028 1065406929 /nfs/dbraw/zinc/40/69/29/1065406929.db2.gz TVPVSWRUAXEREI-MRXNPFEDSA-N 0 0 463.629 3.215 20 0 JGADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N(C)CCS(C)(=O)=O)n1 ZINC001492339022 1065406983 /nfs/dbraw/zinc/40/69/83/1065406983.db2.gz TVPVSWRUAXEREI-INIZCTEOSA-N 0 0 463.629 3.215 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](C)CN2CCOCC2)cc1C ZINC001492339707 1065407717 /nfs/dbraw/zinc/40/77/17/1065407717.db2.gz PLXBRVSPAGMDJB-KNQAVFIVSA-N 0 0 471.646 3.446 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC001492293996 1065408906 /nfs/dbraw/zinc/40/89/06/1065408906.db2.gz FTYITEOFEIJKCN-FGZHOGPDSA-N 0 0 471.646 3.353 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC001492293997 1065408921 /nfs/dbraw/zinc/40/89/21/1065408921.db2.gz FTYITEOFEIJKCN-VXKWHMMOSA-N 0 0 471.646 3.353 20 0 JGADRN Cc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@H](C)Oc2ccc(C)cc2)o1 ZINC001492293789 1065409001 /nfs/dbraw/zinc/40/90/01/1065409001.db2.gz DCOWAEIUQZJDLE-NRFANRHFSA-N 0 0 480.613 3.269 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492294224 1065409872 /nfs/dbraw/zinc/40/98/72/1065409872.db2.gz HXGVYDFRUVZQTN-SBHAEUEKSA-N 0 0 498.628 3.499 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@@H]4CCCO4)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001492350975 1065413057 /nfs/dbraw/zinc/41/30/57/1065413057.db2.gz AEEDGQULHKXOIF-QFIPXVFZSA-N 0 0 455.603 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001492351772 1065414132 /nfs/dbraw/zinc/41/41/32/1065414132.db2.gz FLHHDOMMXYCWDG-OAQYLSRUSA-N 0 0 455.603 3.191 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(c4ccnn4C)CC3)n2CCNC(=O)C(C)C)cc1C ZINC001492353245 1065415640 /nfs/dbraw/zinc/41/56/40/1065415640.db2.gz VELOXAIGTJVJQZ-UHFFFAOYSA-N 0 0 479.629 3.364 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CNC(=O)c4cnn(C)c4)CC3)n2CC(F)(F)F)cc1 ZINC001492353486 1065415740 /nfs/dbraw/zinc/41/57/40/1065415740.db2.gz AUASIRWSYGPGNW-UHFFFAOYSA-N 0 0 491.518 3.108 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CCCO)CC3)n2CC2(S(C)(=O)=O)CCC2)cc1 ZINC001492353553 1065415765 /nfs/dbraw/zinc/41/57/65/1065415765.db2.gz DJNFEXKSQOUYOP-UHFFFAOYSA-N 0 0 476.643 3.122 20 0 JGADRN Cc1nccn1CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001492353651 1065416265 /nfs/dbraw/zinc/41/62/65/1065416265.db2.gz HFFURENEGHCTHQ-UHFFFAOYSA-N 0 0 465.602 3.161 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCc2ccccn2)cc1 ZINC001492354008 1065418087 /nfs/dbraw/zinc/41/80/87/1065418087.db2.gz SYJGRAYNBFZKHD-UHFFFAOYSA-N 0 0 462.598 3.498 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC(C)(C)O)cc1 ZINC001492354042 1065418218 /nfs/dbraw/zinc/41/82/18/1065418218.db2.gz UPOWDFOXXMCVRY-SFHVURJKSA-N 0 0 459.591 3.287 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2C[C@@](C)(O)CCC(C)C)cc1C ZINC001492391038 1065418867 /nfs/dbraw/zinc/41/88/67/1065418867.db2.gz KHTGIAODNPDWMG-LVXARBLLSA-N 0 0 484.645 3.217 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N4CCCNC4=O)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492359926 1065421511 /nfs/dbraw/zinc/42/15/11/1065421511.db2.gz NZKLTQPDTAYIRS-SANMLTNESA-N 0 0 484.645 3.265 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001492360620 1065423149 /nfs/dbraw/zinc/42/31/49/1065423149.db2.gz YFQNVKGUBXXDNX-IBGZPJMESA-N 0 0 498.628 3.315 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4ccc(Cl)nc4C3)n2CC(=O)NC(C)C)cc1 ZINC001492362121 1065423235 /nfs/dbraw/zinc/42/32/35/1065423235.db2.gz AKEUZBJNRNNLMF-UHFFFAOYSA-N 0 0 454.962 3.301 20 0 JGADRN Cc1csc([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)n1 ZINC001492368243 1065427972 /nfs/dbraw/zinc/42/79/72/1065427972.db2.gz DWPSHSFWRCSUMJ-AEFFLSMTSA-N 0 0 454.600 3.436 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC001492367914 1065428124 /nfs/dbraw/zinc/42/81/24/1065428124.db2.gz DMBVWNZBJRYSMK-SJORKVTESA-N 0 0 472.533 3.379 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492368686 1065428756 /nfs/dbraw/zinc/42/87/56/1065428756.db2.gz GFUQYIGGRITKQE-OALUTQOASA-N 0 0 486.617 3.028 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@]2(O)CCSC2)cc1C ZINC001492369802 1065430237 /nfs/dbraw/zinc/43/02/37/1065430237.db2.gz CAQHQXFOVRYTDA-NBGIEHNGSA-N 0 0 487.670 3.083 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@]2(C)CCCO2)cc1C ZINC001492369811 1065430274 /nfs/dbraw/zinc/43/02/74/1065430274.db2.gz CFWCLKPAVXVUQZ-NFBKMPQASA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@]2(O)CCSC2)cc1C ZINC001492369803 1065430289 /nfs/dbraw/zinc/43/02/89/1065430289.db2.gz CAQHQXFOVRYTDA-NLFFAJNJSA-N 0 0 487.670 3.083 20 0 JGADRN Cc1nc(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n[nH]1 ZINC001492370005 1065431154 /nfs/dbraw/zinc/43/11/54/1065431154.db2.gz FAGKFFKEYYXRTB-IBGZPJMESA-N 0 0 496.616 3.328 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@@]2(C)COCCO2)cc1 ZINC001492370510 1065432815 /nfs/dbraw/zinc/43/28/15/1065432815.db2.gz UHZWJZCRYXUWGU-NRFANRHFSA-N 0 0 463.376 3.460 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CC[C@@H](F)C2)cc1 ZINC001492370346 1065432848 /nfs/dbraw/zinc/43/28/48/1065432848.db2.gz INTLKAGLKJPSOG-GGPKGHCWSA-N 0 0 450.580 3.317 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)C2CC2)cc1 ZINC001492370563 1065432919 /nfs/dbraw/zinc/43/29/19/1065432919.db2.gz JRZNRHJFLXCXSU-FQEVSTJZSA-N 0 0 498.628 3.185 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCn2cc(Cl)cn2)cc1 ZINC001492371716 1065436024 /nfs/dbraw/zinc/43/60/24/1065436024.db2.gz SVMUILXGFDREGX-FQEVSTJZSA-N 0 0 486.020 3.457 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCc2cccnc2)cc1C ZINC001492372193 1065436583 /nfs/dbraw/zinc/43/65/83/1065436583.db2.gz XBYHNLRRXKOFJI-QFIPXVFZSA-N 0 0 469.611 3.125 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](N4CCCS4(=O)=O)C3)n2CCSC(C)C)cc1 ZINC001492372212 1065436634 /nfs/dbraw/zinc/43/66/34/1065436634.db2.gz XJWKAKGRZMBYRM-HXUWFJFHSA-N 0 0 493.699 3.311 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)n2CC2(C)CCC2)cc1 ZINC001492372227 1065437505 /nfs/dbraw/zinc/43/75/05/1065437505.db2.gz XPULCMLIPDSEFO-HXUWFJFHSA-N 0 0 475.659 3.464 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCS(C)(=O)=O)cc1C ZINC001492372377 1065438061 /nfs/dbraw/zinc/43/80/61/1065438061.db2.gz YZQVVUVTCYGOPW-GOSISDBHSA-N 0 0 490.548 3.066 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2CC2CC(C)(C)C2)cc1 ZINC001492372432 1065438066 /nfs/dbraw/zinc/43/80/66/1065438066.db2.gz ZVGFUMNLTGMABN-IBGZPJMESA-N 0 0 475.659 3.367 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H]3C(C)C)n2CC2(O)CCS(=O)(=O)CC2)cc1C ZINC001492376601 1065438792 /nfs/dbraw/zinc/43/87/92/1065438792.db2.gz AVBCZNXRYQNLHP-NRFANRHFSA-N 0 0 476.643 3.038 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2Cc2nccs2)cc1 ZINC001492376547 1065438818 /nfs/dbraw/zinc/43/88/18/1065438818.db2.gz AEGFMSXTJZAHJX-UHFFFAOYSA-N 0 0 454.600 3.365 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCC(=O)N2CCCCC2)cc1 ZINC001492376888 1065439903 /nfs/dbraw/zinc/43/99/03/1065439903.db2.gz FQMJTDMANMTFOH-UHFFFAOYSA-N 0 0 496.656 3.263 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492378165 1065440790 /nfs/dbraw/zinc/44/07/90/1065440790.db2.gz JTJGJTRQPAYGCY-MOPGFXCFSA-N 0 0 481.519 3.300 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492377408 1065441477 /nfs/dbraw/zinc/44/14/77/1065441477.db2.gz OSOYAYTZJUWQJC-PZJWPPBQSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CC(C)(C)C(C)C)cc1C ZINC001492377578 1065441686 /nfs/dbraw/zinc/44/16/86/1065441686.db2.gz RTVCYSLZVKOESY-UHFFFAOYSA-N 0 0 498.672 3.329 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC2CCOCC2)cc1 ZINC001492377649 1065442425 /nfs/dbraw/zinc/44/24/25/1065442425.db2.gz SNGINDLJBGMDSW-UHFFFAOYSA-N 0 0 455.603 3.287 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)cc1 ZINC001492382749 1065444642 /nfs/dbraw/zinc/44/46/42/1065444642.db2.gz CAWSSXSQXZOWMB-FQRUVTKNSA-N 0 0 484.645 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC(=O)N(C)C)cc1C ZINC001492382713 1065444656 /nfs/dbraw/zinc/44/46/56/1065444656.db2.gz AQFAAFDMJHWDOL-LJQANCHMSA-N 0 0 486.617 3.008 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)cc1 ZINC001492382748 1065444779 /nfs/dbraw/zinc/44/47/79/1065444779.db2.gz CAWSSXSQXZOWMB-FNZWTVRRSA-N 0 0 484.645 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC001492383240 1065446961 /nfs/dbraw/zinc/44/69/61/1065446961.db2.gz OWTSUROFYAAHSE-NHCUHLMSSA-N 0 0 484.645 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN([C@@H](C)C(=O)N4CCCC4)CC3)n2CCC(C)C)cc1 ZINC001492383488 1065447770 /nfs/dbraw/zinc/44/77/70/1065447770.db2.gz TUJBHWCAFNXWCE-QFIPXVFZSA-N 0 0 468.646 3.345 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC(F)(F)Br)cc1C ZINC001492383743 1065448830 /nfs/dbraw/zinc/44/88/30/1065448830.db2.gz XGXYKWXDHQQJKR-AWEZNQCLSA-N 0 0 472.334 3.129 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4ccc(C(N)=O)cn4)CC3)n2CCSC(C)C)cc1 ZINC001492383918 1065449385 /nfs/dbraw/zinc/44/93/85/1065449385.db2.gz CPUYEEVEESUMDI-UHFFFAOYSA-N 0 0 495.653 3.128 20 0 JGADRN Cc1csc(CCCCn2c(COc3ccc(C)cc3)nnc2N2CCN(C)C(=O)C2)n1 ZINC001492383882 1065449394 /nfs/dbraw/zinc/44/93/94/1065449394.db2.gz YVLOQIKIRKUCSI-UHFFFAOYSA-N 0 0 454.600 3.232 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCCN2CCCCC2=O)cc1 ZINC001492385577 1065453099 /nfs/dbraw/zinc/45/30/99/1065453099.db2.gz RYBWFDRVOYOLJQ-JOCHJYFZSA-N 0 0 496.656 3.261 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2CCOC(C)(C)C)cc1 ZINC001492385370 1065453151 /nfs/dbraw/zinc/45/31/51/1065453151.db2.gz RDZUXDSHVLYJAV-UHFFFAOYSA-N 0 0 451.575 3.097 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H]2CCOC[C@H]2C)cc1 ZINC001492385944 1065453748 /nfs/dbraw/zinc/45/37/48/1065453748.db2.gz WELZQDANBLZTCH-NHCUHLMSSA-N 0 0 455.603 3.143 20 0 JGADRN Cc1nnsc1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001492385637 1065453890 /nfs/dbraw/zinc/45/38/90/1065453890.db2.gz SWVAQYFAZKBHRQ-UHFFFAOYSA-N 0 0 499.538 3.396 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2C[C@@H]2CCCCC2(F)F)cc1 ZINC001492385639 1065453901 /nfs/dbraw/zinc/45/39/01/1065453901.db2.gz SYUCIDONOWDWBN-FQEVSTJZSA-N 0 0 490.599 3.201 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001492385947 1065453961 /nfs/dbraw/zinc/45/39/61/1065453961.db2.gz WELZQDANBLZTCH-RTWAWAEBSA-N 0 0 455.603 3.143 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001492385948 1065454800 /nfs/dbraw/zinc/45/48/00/1065454800.db2.gz WELZQDANBLZTCH-SFTDATJTSA-N 0 0 455.603 3.143 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC2(O)CCCC2)cc1C ZINC001492386257 1065455540 /nfs/dbraw/zinc/45/55/40/1065455540.db2.gz ZXJGVGWUMODMDE-OAQYLSRUSA-N 0 0 469.630 3.472 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCOCCC(C)C)cc1C ZINC001492391278 1065455560 /nfs/dbraw/zinc/45/55/60/1065455560.db2.gz QWFQSLYHECDNQF-NRFANRHFSA-N 0 0 455.603 3.348 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(Cc4cscn4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492390903 1065456471 /nfs/dbraw/zinc/45/64/71/1065456471.db2.gz FRTBTJDEXBHLCX-XMMPIXPASA-N 0 0 470.643 3.351 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)cc1 ZINC001492390898 1065456485 /nfs/dbraw/zinc/45/64/85/1065456485.db2.gz FRDXCAOVECVNSW-DHIUTWEWSA-N 0 0 471.646 3.385 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](C)N2CCOCC2)cc1 ZINC001492340963 1065456542 /nfs/dbraw/zinc/45/65/42/1065456542.db2.gz WZOSYBRXNOIQGH-HXUWFJFHSA-N 0 0 457.619 3.280 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@]4(CCOC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001492344179 1065458073 /nfs/dbraw/zinc/45/80/73/1065458073.db2.gz KHXLDOHSOKYUIS-UTKZUKDTSA-N 0 0 470.492 3.476 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492344264 1065458097 /nfs/dbraw/zinc/45/80/97/1065458097.db2.gz LDMUKEKNDAPBTR-LKIYZWMHSA-N 0 0 460.644 3.310 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCCN2CCCCC2=O)cc1C ZINC001492344750 1065458822 /nfs/dbraw/zinc/45/88/22/1065458822.db2.gz PXQNZMQXDGRSMV-NHCUHLMSSA-N 0 0 455.603 3.490 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 ZINC001492346663 1065461852 /nfs/dbraw/zinc/46/18/52/1065461852.db2.gz JTKHWNNHTMBUTL-RBUKOAKNSA-N 0 0 454.493 3.484 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@@H]2COCCO2)cc1 ZINC001492347172 1065462807 /nfs/dbraw/zinc/46/28/07/1065462807.db2.gz RJRNNIVGEVQIBZ-KNQAVFIVSA-N 0 0 484.519 3.111 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC2=CCCOC2)cc1C ZINC001492347007 1065462836 /nfs/dbraw/zinc/46/28/36/1065462836.db2.gz OPISQHONRYHJJE-LJQANCHMSA-N 0 0 493.530 3.325 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2Cc2ccsc2)cc1C ZINC001492392626 1065465322 /nfs/dbraw/zinc/46/53/22/1065465322.db2.gz ZJKXFHLWZYWDLZ-SFHVURJKSA-N 0 0 475.640 3.054 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001492399942 1065469327 /nfs/dbraw/zinc/46/93/27/1065469327.db2.gz FGGLLTXPKCAZGV-LEWJYISDSA-N 0 0 487.601 3.074 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CCc2cn[nH]c2)cc1C ZINC001492400537 1065469920 /nfs/dbraw/zinc/46/99/20/1065469920.db2.gz IDLISDBNHGHEOM-QFIPXVFZSA-N 0 0 454.575 3.070 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CCOCCC(C)C)cc1 ZINC001492400972 1065469928 /nfs/dbraw/zinc/46/99/28/1065469928.db2.gz GVULKPAJJDAKCC-RBBKRZOGSA-N 0 0 455.603 3.285 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2nc(C(C)C)cs2)cc1C ZINC001492401082 1065469958 /nfs/dbraw/zinc/46/99/58/1065469958.db2.gz LJUIBOCFMAKXGZ-UHFFFAOYSA-N 0 0 475.640 3.337 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC001492401130 1065469989 /nfs/dbraw/zinc/46/99/89/1065469989.db2.gz MNSOKBHXTTWOOB-FPOVZHCZSA-N 0 0 478.684 3.486 20 0 JGADRN Cc1ccc(OCCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCOCC3)cc1 ZINC001492408473 1065474194 /nfs/dbraw/zinc/47/41/94/1065474194.db2.gz MHSSJVRKCAZJLP-HXUWFJFHSA-N 0 0 491.658 3.063 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC001492407959 1065474285 /nfs/dbraw/zinc/47/42/85/1065474285.db2.gz IWKXPMMKIZFFSN-FGTMMUONSA-N 0 0 468.570 3.328 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4OCO[C@H]4C3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001492409352 1065475117 /nfs/dbraw/zinc/47/51/17/1065475117.db2.gz SBLLVUKXFKZUFC-NRSPTQNISA-N 0 0 487.601 3.230 20 0 JGADRN Cc1ccc(OCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C(C)C)C2)cc1 ZINC001492412662 1065476074 /nfs/dbraw/zinc/47/60/74/1065476074.db2.gz WGCPLWGCNSNTIE-AZUAARDMSA-N 0 0 481.688 3.244 20 0 JGADRN Cc1ccc(OCCCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC001492412832 1065477228 /nfs/dbraw/zinc/47/72/28/1065477228.db2.gz YGYOBIWDQSIFMT-UHFFFAOYSA-N 0 0 494.644 3.476 20 0 JGADRN Cc1ccc(OCCCCn2c(-c3cnccn3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 ZINC001492412845 1065477251 /nfs/dbraw/zinc/47/72/51/1065477251.db2.gz YONPTLWEAQWPNS-UHFFFAOYSA-N 0 0 463.586 3.207 20 0 JGADRN Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC001492412826 1065477296 /nfs/dbraw/zinc/47/72/96/1065477296.db2.gz YFGQDOVFIRIYFX-OAQYLSRUSA-N 0 0 492.628 3.089 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccco2)N(C)C)cc1 ZINC001492418166 1065478769 /nfs/dbraw/zinc/47/87/69/1065478769.db2.gz DXWRCWHYFKNDKJ-OAQYLSRUSA-N 0 0 466.586 3.234 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2([S@@](C)=O)CCC2)cc1 ZINC001492418997 1065479400 /nfs/dbraw/zinc/47/94/00/1065479400.db2.gz OXDKWZUESQLTTE-UUWRZZSWSA-N 0 0 482.610 3.050 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)cc1 ZINC001492418522 1065479494 /nfs/dbraw/zinc/47/94/94/1065479494.db2.gz IHJKGHUTAQYJBQ-SFHVURJKSA-N 0 0 476.375 3.275 20 0 JGADRN Cc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(C)cc2)sc1C ZINC001492420158 1065480350 /nfs/dbraw/zinc/48/03/50/1065480350.db2.gz AODNSCJJNJRTJC-IBGZPJMESA-N 0 0 489.667 3.320 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2CC2CC3(C2)CCOCC3)cc1 ZINC001492419422 1065480369 /nfs/dbraw/zinc/48/03/69/1065480369.db2.gz ZGASKYCWUHREDV-UHFFFAOYSA-N 0 0 455.603 3.447 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001492420161 1065480383 /nfs/dbraw/zinc/48/03/83/1065480383.db2.gz AOJADJQXJNRASH-HXUWFJFHSA-N 0 0 486.617 3.310 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](F)C2)cc1 ZINC001492420367 1065481139 /nfs/dbraw/zinc/48/11/39/1065481139.db2.gz DWGINMKFLIHLLT-QRVBRYPASA-N 0 0 450.580 3.142 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCOc2ccc(C)cc2)c(C)o1 ZINC001492420901 1065482114 /nfs/dbraw/zinc/48/21/14/1065482114.db2.gz KWZJVSRUPLUPHV-SQJMNOBHSA-N 0 0 467.570 3.170 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2CCCN2CCCCCC2=O)cc1 ZINC001492420914 1065482221 /nfs/dbraw/zinc/48/22/21/1065482221.db2.gz LNKOZPMKCQLXDF-UHFFFAOYSA-N 0 0 465.602 3.295 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CCOc3ccc(C)cc3)n2C[C@H](C)N2CCOCC2)cs1 ZINC001492424397 1065482837 /nfs/dbraw/zinc/48/28/37/1065482837.db2.gz IHJQXSCHUJIADO-IBGZPJMESA-N 0 0 470.643 3.178 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CCOc3ccc(C)cc3)n2CC2(S(C)(=O)=O)CCC2)cs1 ZINC001492425012 1065483763 /nfs/dbraw/zinc/48/37/63/1065483763.db2.gz QXNJRPAFKMQKCP-UHFFFAOYSA-N 0 0 489.667 3.425 20 0 JGADRN Cc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1 ZINC001492424948 1065483770 /nfs/dbraw/zinc/48/37/70/1065483770.db2.gz ORSXCZZPXPMBTL-FMWKFLBASA-N 0 0 461.632 3.291 20 0 JGADRN Cc1ccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC001492425026 1065483868 /nfs/dbraw/zinc/48/38/68/1065483868.db2.gz RFOUIRXYUYLUIG-UHFFFAOYSA-N 0 0 496.637 3.264 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)cc1 ZINC001492425750 1065484395 /nfs/dbraw/zinc/48/43/95/1065484395.db2.gz BIUKMNUQMZWYRZ-SFHVURJKSA-N 0 0 453.509 3.244 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCOC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC001492427345 1065485300 /nfs/dbraw/zinc/48/53/00/1065485300.db2.gz PWUZPLQNXIGKGW-GOSISDBHSA-N 0 0 481.519 3.064 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCCCO3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001492427366 1065486048 /nfs/dbraw/zinc/48/60/48/1065486048.db2.gz QALIYBDYXSTPBM-RTWAWAEBSA-N 0 0 462.616 3.311 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C(N)=O)C2)cc1 ZINC001492427716 1065486168 /nfs/dbraw/zinc/48/61/68/1065486168.db2.gz UCHWZZDLNNERDP-PMACEKPBSA-N 0 0 498.628 3.092 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC=C(Br)C2)cc1 ZINC001492427885 1065486176 /nfs/dbraw/zinc/48/61/76/1065486176.db2.gz XAVLGIOTQAWZAP-INIZCTEOSA-N 0 0 481.416 3.057 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC=C(Br)C2)cc1 ZINC001492427891 1065486832 /nfs/dbraw/zinc/48/68/32/1065486832.db2.gz XAVLGIOTQAWZAP-MRXNPFEDSA-N 0 0 481.416 3.057 20 0 JGADRN Cc1ccsc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001492429077 1065486853 /nfs/dbraw/zinc/48/68/53/1065486853.db2.gz DNWRFEHVXRIBCL-LJQANCHMSA-N 0 0 489.667 3.313 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CC3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001492429793 1065488336 /nfs/dbraw/zinc/48/83/36/1065488336.db2.gz MGLKFZRNQPCVQV-UHFFFAOYSA-N 0 0 459.538 3.467 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC=CCC2)cc1 ZINC001492431963 1065488959 /nfs/dbraw/zinc/48/89/59/1065488959.db2.gz UUSVJBSJAXTSOM-NHCUHLMSSA-N 0 0 473.643 3.252 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCCCO3)n2CC2(C)CCOCC2)cc1 ZINC001492431959 1065488970 /nfs/dbraw/zinc/48/89/70/1065488970.db2.gz UTUYCTJSEKZEJG-NRFANRHFSA-N 0 0 491.658 3.060 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[C@@H](C)C2)s1 ZINC001492435849 1065490559 /nfs/dbraw/zinc/49/05/59/1065490559.db2.gz BLJHUDZUANBMJO-KBPBESRZSA-N 0 0 480.685 3.074 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)s1 ZINC001492437405 1065493446 /nfs/dbraw/zinc/49/34/46/1065493446.db2.gz XLBMXODEYTUQFL-HNNXBMFYSA-N 0 0 496.058 3.096 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](C)[C@@H](O)C2)s1 ZINC001492439060 1065495932 /nfs/dbraw/zinc/49/59/32/1065495932.db2.gz LVXLNXBLIQOQGJ-KDOFPFPSSA-N 0 0 496.058 3.154 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccco2)s1 ZINC001492438366 1065495965 /nfs/dbraw/zinc/49/59/65/1065495965.db2.gz JDKIVEBCFGTLNL-IRXDYDNUSA-N 0 0 479.628 3.311 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccco2)s1 ZINC001492438365 1065496046 /nfs/dbraw/zinc/49/60/46/1065496046.db2.gz JDKIVEBCFGTLNL-IAGOWNOFSA-N 0 0 479.628 3.311 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(Cc3ccccn3)n2CC2CCCC2)cc1 ZINC001492440145 1065496703 /nfs/dbraw/zinc/49/67/03/1065496703.db2.gz OTZMPTQAXIFHSV-UHFFFAOYSA-N 0 0 468.627 3.177 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCCO3)nnc2N(C)CC2CCCC2)s1 ZINC001492440238 1065496734 /nfs/dbraw/zinc/49/67/34/1065496734.db2.gz QGFTXGNWLKOSQX-GOSISDBHSA-N 0 0 467.661 3.495 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)CCNS(=O)(=O)c3ccc(C)cc3)n2C[C@@H]2CC[C@@H](C)C2)n1 ZINC001492440232 1065496795 /nfs/dbraw/zinc/49/67/95/1065496795.db2.gz QCDUTCCSRAVWDD-DENIHFKCSA-N 0 0 499.685 3.299 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)c2cccs2)s1 ZINC001492441594 1065497626 /nfs/dbraw/zinc/49/76/26/1065497626.db2.gz TVKYAYAWFDGMAA-JKSUJKDBSA-N 0 0 481.669 3.389 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC3CCCC3)n2CC2(O)CCCC2)cc1 ZINC001492443110 1065499009 /nfs/dbraw/zinc/49/90/09/1065499009.db2.gz YBDBQOTUIGVBJS-UHFFFAOYSA-N 0 0 475.659 3.039 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCN2CCOCC2(C)C)cc1 ZINC001492444518 1065499757 /nfs/dbraw/zinc/49/97/57/1065499757.db2.gz CTCFRYXLLZMCRQ-UHFFFAOYSA-N 0 0 488.702 3.341 20 0 JGADRN Cc1cc(C)n(CCCn2c(CSc3ccc(C)cc3)nnc2N(C)CC(=O)N2CCOCC2)n1 ZINC001492444303 1065499781 /nfs/dbraw/zinc/49/97/81/1065499781.db2.gz ACBREBHDYHJVTB-UHFFFAOYSA-N 0 0 497.669 3.077 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2(C(N)=O)CCCC2)cc1 ZINC001492445356 1065499866 /nfs/dbraw/zinc/49/98/66/1065499866.db2.gz HYYQPKLPLOWYMY-UHFFFAOYSA-N 0 0 472.659 3.275 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC(=O)NCc2ccco2)cc1 ZINC001492445536 1065500240 /nfs/dbraw/zinc/50/02/40/1065500240.db2.gz KVQPSPFTBVMDRM-UHFFFAOYSA-N 0 0 484.626 3.139 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)cc1 ZINC001492445535 1065500468 /nfs/dbraw/zinc/50/04/68/1065500468.db2.gz KTQDRYZWQLHTBL-LJQANCHMSA-N 0 0 494.683 3.088 20 0 JGADRN Cc1csc(CN(C)c2nnc(CSc3ccc(C)cc3)n2CCNS(C)(=O)=O)c1 ZINC001492446604 1065500880 /nfs/dbraw/zinc/50/08/80/1065500880.db2.gz QHPIABGMNXDKKB-UHFFFAOYSA-N 0 0 465.670 3.434 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)N2CCOCC2)cc1 ZINC001492448897 1065501668 /nfs/dbraw/zinc/50/16/68/1065501668.db2.gz LOKMNHNCAYIDKP-HXUWFJFHSA-N 0 0 489.686 3.435 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC3CCOCC3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001492448478 1065501695 /nfs/dbraw/zinc/50/16/95/1065501695.db2.gz CNUFLJSEIDMSER-HXUWFJFHSA-N 0 0 493.699 3.166 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@]2(O)CCO[C@H]2C)cc1 ZINC001492449342 1065502903 /nfs/dbraw/zinc/50/29/03/1065502903.db2.gz RZLNFOWVEJSOTB-MHECFPHRSA-N 0 0 476.643 3.254 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)[C@H](N4CCOCC4)C3)n2CCC(C)(C)O)cc1 ZINC001492452671 1065503574 /nfs/dbraw/zinc/50/35/74/1065503574.db2.gz IKKMXMOSSJSZDT-TZIWHRDSSA-N 0 0 459.660 3.197 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492453783 1065504533 /nfs/dbraw/zinc/50/45/33/1065504533.db2.gz RPNFSWNXCFHAOX-MYGHRHJXSA-N 0 0 463.673 3.093 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC(=O)N(C)C)cc1 ZINC001492453835 1065504601 /nfs/dbraw/zinc/50/46/01/1065504601.db2.gz SCDIFGRHSCYGSK-HKUYNNGSSA-N 0 0 488.658 3.316 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCNS(C)(=O)=O)cc1 ZINC001492453872 1065504612 /nfs/dbraw/zinc/50/46/12/1065504612.db2.gz SWUCTUQDZAVHFB-HDICACEKSA-N 0 0 451.662 3.300 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2C[C@H]2COCCO2)cc1 ZINC001492453766 1065504671 /nfs/dbraw/zinc/50/46/71/1065504671.db2.gz RMMYCQVDPIPFEH-SOLBZPMBSA-N 0 0 472.533 3.450 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@H](C)[C@@H]3C)n2CCNS(=O)(=O)Cc2ccon2)cc1 ZINC001492455833 1065505588 /nfs/dbraw/zinc/50/55/88/1065505588.db2.gz DIWYPJKZRHESRL-MSOLQXFVSA-N 0 0 490.655 3.221 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CCC(=O)N(C)C)cc1 ZINC001492456231 1065506432 /nfs/dbraw/zinc/50/64/32/1065506432.db2.gz IMBRYPXXRSIIRO-IBGZPJMESA-N 0 0 467.643 3.160 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@H]2C[C@H]2C)cc1 ZINC001492459360 1065507353 /nfs/dbraw/zinc/50/73/53/1065507353.db2.gz CGPLNGLZOZZTBJ-IEBWSBKVSA-N 0 0 463.673 3.300 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@H](Oc4ccccn4)C3)n2CC(=O)NCC(F)F)cc1 ZINC001492460370 1065509097 /nfs/dbraw/zinc/50/90/97/1065509097.db2.gz WHTKSUMROMWSNY-QGZVFWFLSA-N 0 0 488.564 3.313 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H]2CCCCO2)cc1 ZINC001492460438 1065509265 /nfs/dbraw/zinc/50/92/65/1065509265.db2.gz YETQABPRVKCKHN-SFHVURJKSA-N 0 0 464.657 3.461 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](c4ccnn4C)C3)n2CC(=O)N(C)C)cc1 ZINC001492461339 1065509686 /nfs/dbraw/zinc/50/96/86/1065509686.db2.gz CSAOMPQCVLEMST-SFHVURJKSA-N 0 0 453.616 3.085 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@]2(C)COCCO2)cc1 ZINC001492461658 1065509782 /nfs/dbraw/zinc/50/97/82/1065509782.db2.gz 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CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC(F)(F)F)CC[C@H]1C ZINC001300804843 1065536787 /nfs/dbraw/zinc/53/67/87/1065536787.db2.gz UPKGWMQCKZGSPT-GHMZBOCLSA-N 0 0 496.353 3.309 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCN2CCOC[C@H]2C)CC1(C)C ZINC001300804782 1065536869 /nfs/dbraw/zinc/53/68/69/1065536869.db2.gz SVYMCHKKSDRRKQ-ZBFHGGJFSA-N 0 0 484.464 3.351 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCN2CCOC[C@@H]2C)CC1(C)C ZINC001300804781 1065536952 /nfs/dbraw/zinc/53/69/52/1065536952.db2.gz SVYMCHKKSDRRKQ-HOCLYGCPSA-N 0 0 484.464 3.351 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCNC(=O)C2CC2)CC1(C)C ZINC001300805026 1065537434 /nfs/dbraw/zinc/53/74/34/1065537434.db2.gz WAHTYJBNKOBMEF-CQSZACIVSA-N 0 0 468.421 3.157 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOCC(C)C)CC[C@H]1C ZINC001300807397 1065539418 /nfs/dbraw/zinc/53/94/18/1065539418.db2.gz CMVGJJLWCQMHOC-UYAOXDASSA-N 0 0 478.663 3.162 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC[C@H]1C ZINC001300808620 1065540081 /nfs/dbraw/zinc/54/00/81/1065540081.db2.gz GDRLGPSEZZPLEE-HNBVOPMISA-N 0 0 471.606 3.242 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC001300810095 1065540632 /nfs/dbraw/zinc/54/06/32/1065540632.db2.gz LFXOQEHJJXQXMX-NZSAHSFTSA-N 0 0 473.622 3.185 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(C)CC(F)(F)F)CC1(C)C ZINC001300811565 1065542246 /nfs/dbraw/zinc/54/22/46/1065542246.db2.gz RORYVUGDWIJQOV-LJQANCHMSA-N 0 0 483.535 3.462 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Br)cc2)CC[C@H]1C ZINC001300818482 1065546776 /nfs/dbraw/zinc/54/67/76/1065546776.db2.gz KOVZORLNPHJSOA-ZTFGCOKTSA-N 0 0 462.392 3.096 20 0 JGADRN CO[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCOC2)CC[C@@H]1C ZINC001300819970 1065548059 /nfs/dbraw/zinc/54/80/59/1065548059.db2.gz BNLNVVQEZLWATD-CMKODMSKSA-N 0 0 463.623 3.290 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCCS(=O)(=O)c2ccccc2)CC1(C)C ZINC001300820768 1065548436 /nfs/dbraw/zinc/54/84/36/1065548436.db2.gz VFONGYJGJIGMLY-NRFANRHFSA-N 0 0 469.611 3.374 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCN(C)C(=O)OC(C)(C)C)CC[C@H]1C ZINC001300822059 1065549516 /nfs/dbraw/zinc/54/95/16/1065549516.db2.gz YINAFARBWDMSMQ-VQIMIIECSA-N 0 0 497.600 3.322 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2F)CC[C@@H]1C ZINC001300823038 1065550741 /nfs/dbraw/zinc/55/07/41/1065550741.db2.gz HMWZYELIYAMNGC-ILZDJORESA-N 0 0 482.647 3.114 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(NC(C)=O)nc2)CC[C@@H]1C ZINC001300825599 1065553962 /nfs/dbraw/zinc/55/39/62/1065553962.db2.gz JAXPNIKQHCUVIC-BTYIYWSLSA-N 0 0 470.524 3.410 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cccnc2)CC[C@@H]1C ZINC001300826420 1065554900 /nfs/dbraw/zinc/55/49/00/1065554900.db2.gz QFXOQCMHZDECRS-CEWLAPEOSA-N 0 0 486.617 3.085 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cccnc2)CC[C@H]1C ZINC001300826422 1065554975 /nfs/dbraw/zinc/55/49/75/1065554975.db2.gz QFXOQCMHZDECRS-HMXCVIKNSA-N 0 0 486.617 3.085 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCSC2)CC[C@H]1C ZINC001300826951 1065555619 /nfs/dbraw/zinc/55/56/19/1065555619.db2.gz SNLGJWFHJXDDLK-AKHDSKFASA-N 0 0 481.663 3.201 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2CCOCC2)CC[C@H]1C ZINC001300826883 1065555723 /nfs/dbraw/zinc/55/57/23/1065555723.db2.gz RGFHVOKNGBXKAC-HLAWJBBLSA-N 0 0 493.649 3.264 20 0 JGADRN CO[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCSC2)CC1(C)C ZINC001300827233 1065556263 /nfs/dbraw/zinc/55/62/63/1065556263.db2.gz YFSKSHBEVDFMID-UUOWRZLLSA-N 0 0 495.690 3.122 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNC(=O)C(C)C)CC[C@H]1C ZINC001300827447 1065556337 /nfs/dbraw/zinc/55/63/37/1065556337.db2.gz ZDCHLBPJEGWXST-VAMGGRTRSA-N 0 0 492.665 3.026 20 0 JGADRN CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 ZINC001300827614 1065556750 /nfs/dbraw/zinc/55/67/50/1065556750.db2.gz AYPQVASQOSMZBZ-FQEVSTJZSA-N 0 0 455.511 3.271 20 0 JGADRN CO[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCCO)CC[C@H]1C ZINC001300827581 1065556931 /nfs/dbraw/zinc/55/69/31/1065556931.db2.gz ZORRWTJBMOVZJQ-UYAOXDASSA-N 0 0 465.639 3.416 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCOC(C)(C)C2)CC[C@@H]1C ZINC001300828308 1065557516 /nfs/dbraw/zinc/55/75/16/1065557516.db2.gz XGJJAOJQZILLFH-RXVVDRJESA-N 0 0 462.038 3.494 20 0 JGADRN CO[C@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccco2)CC1(C)C ZINC001300829077 1065558124 /nfs/dbraw/zinc/55/81/24/1065558124.db2.gz ZVIRKEXWWFVBAX-MSOLQXFVSA-N 0 0 461.563 3.089 20 0 JGADRN CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O ZINC001300829734 1065559864 /nfs/dbraw/zinc/55/98/64/1065559864.db2.gz YJVBEBUJIYZUOS-QGZVFWFLSA-N 0 0 450.369 3.322 20 0 JGADRN CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)/C=C/c1cc(Br)c(O)c(OC)c1 ZINC001300829740 1065560368 /nfs/dbraw/zinc/56/03/68/1065560368.db2.gz YNNYFXRBTUUOLG-WRFKIARRSA-N 0 0 450.285 3.459 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCn2cc(Br)cn2)CC[C@@H]1C ZINC001300832668 1065565785 /nfs/dbraw/zinc/56/57/85/1065565785.db2.gz ATNXGRHWVVFWGU-QFBILLFUSA-N 0 0 474.407 3.174 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCS(=O)(=O)Cc2ccccc2)CC[C@@H]1C ZINC001300834600 1065569747 /nfs/dbraw/zinc/56/97/47/1065569747.db2.gz NHCNDHACXLSBPV-REWPJTCUSA-N 0 0 483.638 3.130 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1(C)C ZINC001300835437 1065570894 /nfs/dbraw/zinc/57/08/94/1065570894.db2.gz SDVGGTSAIYRPEL-MSOLQXFVSA-N 0 0 487.592 3.445 20 0 JGADRN Cc1ccc(C(=O)CCC(=O)N2CCC(n3nncc3I)CC2)cc1 ZINC001300835577 1065571302 /nfs/dbraw/zinc/57/13/02/1065571302.db2.gz OHWQSQSZCLUGLI-UHFFFAOYSA-N 0 0 452.296 3.018 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)c2ccco2)CC[C@H]1C ZINC001300836974 1065572589 /nfs/dbraw/zinc/57/25/89/1065572589.db2.gz BGSJVUBFUANLCD-NQIIRXRSSA-N 0 0 453.543 3.050 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCOC[C@H]2C)CC[C@@H]1C ZINC001300839385 1065575917 /nfs/dbraw/zinc/57/59/17/1065575917.db2.gz RLVKNBHHVPAMFI-QZNHQXDQSA-N 0 0 457.619 3.056 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)NC(C)C)CC[C@@H]1C ZINC001300839726 1065576412 /nfs/dbraw/zinc/57/64/12/1065576412.db2.gz SXTXODCIUIQLLO-YJBOKZPZSA-N 0 0 480.407 3.005 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(C)n(C)c2=O)CC[C@H]1C ZINC001300840412 1065577561 /nfs/dbraw/zinc/57/75/61/1065577561.db2.gz DRDVEGBNLDURPS-AUSIDOKSSA-N 0 0 465.598 3.391 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1(C)C ZINC001300840590 1065577965 /nfs/dbraw/zinc/57/79/65/1065577965.db2.gz VLMPXGQERAVXCJ-NQIIRXRSSA-N 0 0 459.566 3.116 20 0 JGADRN CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCO[C@H](C)C2)CC[C@@H]1C ZINC001300840429 1065577976 /nfs/dbraw/zinc/57/79/76/1065577976.db2.gz DSMRCZFNBSNWNT-WJFTUGDTSA-N 0 0 461.632 3.336 20 0 JGADRN CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ncccc2Cl)CC[C@@H]1C ZINC001300840434 1065578069 /nfs/dbraw/zinc/57/80/69/1065578069.db2.gz DSRBLKNWBQXOTP-RDJZCZTQSA-N 0 0 491.017 3.258 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC001300840636 1065578098 /nfs/dbraw/zinc/57/80/98/1065578098.db2.gz VYYUANXRUOTFHA-CVDCTZTESA-N 0 0 455.603 3.285 20 0 JGADRN CO[C@@H]1CN(c2nnc(CC3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1(C)C ZINC001300840480 1065578135 /nfs/dbraw/zinc/57/81/35/1065578135.db2.gz KXNVXWGOKDFMHM-RTBURBONSA-N 0 0 455.594 3.228 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(C)(C)O)cc2)CC[C@H]1C ZINC001300840707 1065578414 /nfs/dbraw/zinc/57/84/14/1065578414.db2.gz FOOUWYQLYLQZMA-VGOFRKELSA-N 0 0 452.603 3.277 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCCCCS(C)(=O)=O)CC1(C)C ZINC001300840910 1065579106 /nfs/dbraw/zinc/57/91/06/1065579106.db2.gz MWBCSEQEYZMBRT-OAQYLSRUSA-N 0 0 473.643 3.357 20 0 JGADRN CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001300841232 1065579674 /nfs/dbraw/zinc/57/96/74/1065579674.db2.gz HLYNLSMUZWADOQ-SJORKVTESA-N 0 0 492.646 3.046 20 0 JGADRN CO[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1(C)C ZINC001300841799 1065580305 /nfs/dbraw/zinc/58/03/05/1065580305.db2.gz PIWBOSJOANYSSE-CTNGQTDRSA-N 0 0 457.594 3.355 20 0 JGADRN CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(Cl)cn2)CC[C@H]1C ZINC001300845837 1065587928 /nfs/dbraw/zinc/58/79/28/1065587928.db2.gz XUXJAGXTNJQPRZ-NVXWUHKLSA-N 0 0 491.017 3.258 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCC2(O)CCOCC2)CC[C@H]1C ZINC001300846005 1065588440 /nfs/dbraw/zinc/58/84/40/1065588440.db2.gz ZDWPUJZJDQEXGU-IRLDBZIGSA-N 0 0 458.603 3.267 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2snnc2C)CC[C@H]1C ZINC001300846079 1065588950 /nfs/dbraw/zinc/58/89/50/1065588950.db2.gz BMKZDBKOBHZXQC-MXASKKJJSA-N 0 0 477.635 3.118 20 0 JGADRN CO[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2snnc2C)CC[C@H]1C ZINC001300846081 1065589011 /nfs/dbraw/zinc/58/90/11/1065589011.db2.gz BMKZDBKOBHZXQC-SIXLDLHFSA-N 0 0 477.635 3.118 20 0 JGADRN CO[C@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001300846075 1065589098 /nfs/dbraw/zinc/58/90/98/1065589098.db2.gz BMHAFERURVULBF-LPHOPBHVSA-N 0 0 499.509 3.360 20 0 JGADRN CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccc(C(N)=O)nc2)CC[C@H]1C ZINC001300846162 1065589893 /nfs/dbraw/zinc/58/98/93/1065589893.db2.gz CIDOXAKGTIGVCS-DYESRHJHSA-N 0 0 466.611 3.282 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001300846472 1065590287 /nfs/dbraw/zinc/59/02/87/1065590287.db2.gz CCFLHIMJCUJGSP-KZNAEPCWSA-N 0 0 451.608 3.135 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCC(F)F)CC[C@H]1C ZINC001300847133 1065590304 /nfs/dbraw/zinc/59/03/04/1065590304.db2.gz IMTWTLOFZVBSKF-WCXIOVBPSA-N 0 0 473.565 3.192 20 0 JGADRN CO[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1(C)C ZINC001300848613 1065591517 /nfs/dbraw/zinc/59/15/17/1065591517.db2.gz LZZLBPCYJNECEE-QUCCMNQESA-N 0 0 493.699 3.164 20 0 JGADRN CO[C@H]1COCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC=C(C)CC1 ZINC001300852062 1065597570 /nfs/dbraw/zinc/59/75/70/1065597570.db2.gz BUTPXMQTCUOFMW-YJBOKZPZSA-N 0 0 450.381 3.254 20 0 JGADRN CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001300852258 1065597622 /nfs/dbraw/zinc/59/76/22/1065597622.db2.gz CZQNMNWNZQKYKV-PZJWPPBQSA-N 0 0 476.021 3.345 20 0 JGADRN CO[C@@H]1COCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCCC(C)C)CC1 ZINC001300852218 1065597715 /nfs/dbraw/zinc/59/77/15/1065597715.db2.gz CIJMKWVYVRRFRC-PZJWPPBQSA-N 0 0 486.617 3.008 20 0 JGADRN CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCCCC1 ZINC001300853312 1065598907 /nfs/dbraw/zinc/59/89/07/1065598907.db2.gz GLTNIFDYORENEO-RBBKRZOGSA-N 0 0 476.643 3.417 20 0 JGADRN 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Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC=C(C(C)(C)C)CC2)c(=O)n1C ZINC001304347343 1067389474 /nfs/dbraw/zinc/38/94/74/1067389474.db2.gz RMUIQIGRDHAWRH-UHFFFAOYSA-N 0 0 461.570 3.163 20 0 JGADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)c2nccs2)c(F)c1 ZINC001304348178 1067389529 /nfs/dbraw/zinc/38/95/29/1067389529.db2.gz CFVSLHFHOQCNTF-CABCVRRESA-N 0 0 466.608 3.081 20 0 JGADRN Cc1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(OC(C)C)CC2)cn1 ZINC001304348094 1067389619 /nfs/dbraw/zinc/38/96/19/1067389619.db2.gz CGDRCHHYLYZDNP-UHFFFAOYSA-N 0 0 498.653 3.341 20 0 JGADRN CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc3ccccc3o2)CC1 ZINC001302800526 1067389589 /nfs/dbraw/zinc/38/95/89/1067389589.db2.gz FRFHOBBRHCVCRR-HNNXBMFYSA-N 0 0 478.644 3.167 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001302800619 1067389724 /nfs/dbraw/zinc/38/97/24/1067389724.db2.gz WZAGLPCPJFYDIG-HUUJSLGLSA-N 0 0 490.649 3.126 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001302800414 1067389748 /nfs/dbraw/zinc/38/97/48/1067389748.db2.gz VUJPSYNBQVIJEN-SCTDSRPQSA-N 0 0 467.540 3.259 20 0 JGADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H]2CCOC2)c(=O)n1C ZINC001304348444 1067389746 /nfs/dbraw/zinc/38/97/46/1067389746.db2.gz FXOBTXJHGORAEV-AWEZNQCLSA-N 0 0 464.389 3.050 20 0 JGADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)s1 ZINC001304348434 1067389778 /nfs/dbraw/zinc/38/97/78/1067389778.db2.gz FKHYIOSZUSMACW-NSHDSACASA-N 0 0 472.434 3.323 20 0 JGADRN Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1N1CCOCC1 ZINC001304348735 1067389909 /nfs/dbraw/zinc/38/99/09/1067389909.db2.gz HKNHLTPPPZNBIG-NQIIRXRSSA-N 0 0 470.618 3.129 20 0 JGADRN CSCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001302800747 1067389895 /nfs/dbraw/zinc/38/98/95/1067389895.db2.gz JBUYXVCDMBHOOB-KRWDZBQOSA-N 0 0 459.595 3.370 20 0 JGADRN 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CC(C)CC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)[C@H](C)C2)c1 ZINC001302803327 1067391841 /nfs/dbraw/zinc/39/18/41/1067391841.db2.gz JEKBENXPSUACAS-QWFCFKBJSA-N 0 0 473.643 3.305 20 0 JGADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)c1 ZINC001302804809 1067392865 /nfs/dbraw/zinc/39/28/65/1067392865.db2.gz UBIVBPBRJGDOLG-NRFANRHFSA-N 0 0 467.618 3.066 20 0 JGADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(F)c1 ZINC001304351312 1067392964 /nfs/dbraw/zinc/39/29/64/1067392964.db2.gz OSOYIFXVSRWDPG-GQIGUUNPSA-N 0 0 493.630 3.412 20 0 JGADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)c(OCC(F)(F)F)c1 ZINC001304351759 1067393243 /nfs/dbraw/zinc/39/32/43/1067393243.db2.gz QKZNKXWOMZPVFF-KRWDZBQOSA-N 0 0 466.508 3.255 20 0 JGADRN Cc1ccc(-n2cnnc2SCC(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)cc1 ZINC001304351863 1067393340 /nfs/dbraw/zinc/39/33/40/1067393340.db2.gz GUTIHVIVIIPFQF-MSOLQXFVSA-N 0 0 457.600 3.383 20 0 JGADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC(N)=O)CC2)c1 ZINC001302804937 1067393273 /nfs/dbraw/zinc/39/32/73/1067393273.db2.gz VWSDICCCVQLABO-OAQYLSRUSA-N 0 0 482.629 3.297 20 0 JGADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)c(=O)n1C ZINC001304352823 1067393534 /nfs/dbraw/zinc/39/35/34/1067393534.db2.gz VMCUZMAHIUMYGJ-KSSFIOAISA-N 0 0 465.451 3.296 20 0 JGADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)c3ccccc3)CC2)s1 ZINC001304352935 1067393589 /nfs/dbraw/zinc/39/35/89/1067393589.db2.gz WQEJMWMANGDUJJ-QGZVFWFLSA-N 0 0 487.651 3.406 20 0 JGADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001302806159 1067393858 /nfs/dbraw/zinc/39/38/58/1067393858.db2.gz KMSQRLRFZSGILG-YSTOQKLRSA-N 0 0 463.623 3.337 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001302806488 1067394050 /nfs/dbraw/zinc/39/40/50/1067394050.db2.gz LWJRQTIVJAMAMP-WPWBMXPQSA-N 0 0 461.651 3.493 20 0 JGADRN Cc1ccc(Cn2c(C3CCCC3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(N2CCOCC2)c1 ZINC001304354144 1067394172 /nfs/dbraw/zinc/39/41/72/1067394172.db2.gz GIPGAAFFHKEUDK-WOJBJXKFSA-N 0 0 489.686 3.387 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001302807128 1067394323 /nfs/dbraw/zinc/39/43/23/1067394323.db2.gz PHXWWIOFBCXHMA-CZYKHXBRSA-N 0 0 497.706 3.079 20 0 JGADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC(=O)NC(C)C)c(O[C@H]2CCOC2)c1 ZINC001304354678 1067394467 /nfs/dbraw/zinc/39/44/67/1067394467.db2.gz WLDYYDAZMLAVFZ-NRFANRHFSA-N 0 0 478.597 3.134 20 0 JGADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)c(F)c1 ZINC001304354415 1067394496 /nfs/dbraw/zinc/39/44/96/1067394496.db2.gz RDGUVEDMRMGXAN-GOSISDBHSA-N 0 0 451.550 3.220 20 0 JGADRN Cc1ccc(Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCC(F)F)c(=O)n1C ZINC001304354434 1067394582 /nfs/dbraw/zinc/39/45/82/1067394582.db2.gz RPXFMJPTVAOBJP-UHFFFAOYSA-N 0 0 453.497 3.278 20 0 JGADRN 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Cc1ccc(Cn2c(CC3CCCC3)nnc2N2CCCN(CC(F)(F)F)CC2)c(=O)n1C ZINC001304356809 1067396350 /nfs/dbraw/zinc/39/63/50/1067396350.db2.gz FBISTOPHXCZGBU-UHFFFAOYSA-N 0 0 466.552 3.141 20 0 JGADRN Cc1ccc(Cn2c(CC3CCCC3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)c(=O)n1C ZINC001304357283 1067396578 /nfs/dbraw/zinc/39/65/78/1067396578.db2.gz GGDCRZAFOMFRSR-XIFFEERXSA-N 0 0 467.639 3.440 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC001304358101 1067397123 /nfs/dbraw/zinc/39/71/23/1067397123.db2.gz RPCSBFUVGBDSOB-ROUUACIJSA-N 0 0 472.533 3.085 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001302808958 1067397188 /nfs/dbraw/zinc/39/71/88/1067397188.db2.gz YEYWZOVWFGVDNV-UGKGYDQZSA-N 0 0 495.715 3.242 20 0 JGADRN CC(C)[C@H]1OCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001302808992 1067397296 /nfs/dbraw/zinc/39/72/96/1067397296.db2.gz YQBWGQIHIAQJBN-IPMKNSEASA-N 0 0 487.567 3.476 20 0 JGADRN 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ZINC001304376885 1067419346 /nfs/dbraw/zinc/41/93/46/1067419346.db2.gz CABBOUMUEMFJBT-NRFANRHFSA-N 0 0 468.602 3.198 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC(=O)NCc2ccco2)cc1C ZINC001304376965 1067419488 /nfs/dbraw/zinc/41/94/88/1067419488.db2.gz DEBCFTMVZSUVKT-AEFFLSMTSA-N 0 0 450.543 3.291 20 0 JGADRN C[C@@H](C1CCCCC1)N(C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 ZINC001302830733 1067419891 /nfs/dbraw/zinc/41/98/91/1067419891.db2.gz QCHRNHVPCFKGBU-IBGZPJMESA-N 0 0 492.715 3.048 20 0 JGADRN CC(C)CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCc2cccs2)CC1 ZINC001302830599 1067419902 /nfs/dbraw/zinc/41/99/02/1067419902.db2.gz RGNXMTSCBNXZPF-IBGZPJMESA-N 0 0 481.688 3.178 20 0 JGADRN CC(C)CC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001302831184 1067420371 /nfs/dbraw/zinc/42/03/71/1067420371.db2.gz YUBDDFTYYBMKGC-OAGGEKHMSA-N 0 0 464.554 3.163 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@H](c4ccsc4)C3)n2CC(=O)N(C)C)cc1C ZINC001304377853 1067420777 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DXEKMTKFYDGBGD-NRFANRHFSA-N 0 0 466.630 3.132 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCc2cnn(C)c2)C[C@@H]1O ZINC001302834723 1067421806 /nfs/dbraw/zinc/42/18/06/1067421806.db2.gz NPVSKPCEQIMAHP-KUHUBIRLSA-N 0 0 477.382 3.420 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(OC(C)(C)C)nc2)C[C@@H]1O ZINC001302834762 1067421853 /nfs/dbraw/zinc/42/18/53/1067421853.db2.gz OKEQHGFTHRAELV-UTKZUKDTSA-N 0 0 499.637 3.176 20 0 JGADRN CC(C)Cc1nnc(N(C)C2CCC3(CC2)OCCO3)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001302834330 1067421858 /nfs/dbraw/zinc/42/18/58/1067421858.db2.gz BCVHPDQVTOEQQI-UHFFFAOYSA-N 0 0 476.643 3.191 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1O ZINC001302834672 1067421862 /nfs/dbraw/zinc/42/18/62/1067421862.db2.gz MSRHBTVTOHVDPN-KFNAQCHYSA-N 0 0 475.309 3.478 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC4(COC(=O)N4)CC3)n2C[C@@](C)(O)CCC(C)C)cc1C ZINC001304378725 1067422880 /nfs/dbraw/zinc/42/28/80/1067422880.db2.gz FPILMLXZKMDBQD-VWLOTQADSA-N 0 0 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ZINC001304457421 1067537801 /nfs/dbraw/zinc/53/78/01/1067537801.db2.gz CQRMQUMGBINQBK-BJWYYQGGSA-N 0 0 460.533 3.345 20 0 JGADRN Fc1ccc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCCOCC(F)F)CC2)cc1 ZINC001302968650 1067537906 /nfs/dbraw/zinc/53/79/06/1067537906.db2.gz HRHFSBLCVOQJQL-KRWDZBQOSA-N 0 0 453.509 3.310 20 0 JGADRN Fc1ccc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCCOCC(F)F)CC2)cc1 ZINC001302968652 1067537925 /nfs/dbraw/zinc/53/79/25/1067537925.db2.gz HRHFSBLCVOQJQL-QGZVFWFLSA-N 0 0 453.509 3.310 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2Cc2cccc(C(=O)N(C)C)c2)n1 ZINC001304457670 1067538113 /nfs/dbraw/zinc/53/81/13/1067538113.db2.gz ISWBPKDLYRMDOW-UHFFFAOYSA-N 0 0 478.988 3.422 20 0 JGADRN Cc1cccc(-c2nnc(N(C)C[C@@H]3COc4ccccc4O3)n2CCSCCCO)n1 ZINC001304458037 1067538150 /nfs/dbraw/zinc/53/81/50/1067538150.db2.gz IYPOGCGQZOOLDQ-GOSISDBHSA-N 0 0 455.584 3.040 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCN2CCOC[C@H]2C)n1 ZINC001304458516 1067538221 /nfs/dbraw/zinc/53/82/21/1067538221.db2.gz XSXNFJDBXQVLLL-OAHLLOKOSA-N 0 0 481.548 3.481 20 0 JGADRN Cc1nc(C)c(CCn2c(-c3cccc(C)n3)nnc2N(C)Cc2ncnn2CC(F)F)s1 ZINC001304458077 1067538247 /nfs/dbraw/zinc/53/82/47/1067538247.db2.gz POYUSKAKPXKXCG-UHFFFAOYSA-N 0 0 473.557 3.458 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H]2CCOc3ccccc32)n1 ZINC001304459118 1067538544 /nfs/dbraw/zinc/53/85/44/1067538544.db2.gz DQUYMYSHBDUHKH-SFHVURJKSA-N 0 0 455.584 3.086 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2Cc2nccc(C(F)F)n2)n1 ZINC001304458728 1067538601 /nfs/dbraw/zinc/53/86/01/1067538601.db2.gz VKZMBBRKTQGMKO-UHFFFAOYSA-N 0 0 459.501 3.260 20 0 JGADRN CC(C)Cc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302970985 1067539408 /nfs/dbraw/zinc/53/94/08/1067539408.db2.gz OZMDEAZBEDXYPX-UZUQRXQVSA-N 0 0 464.611 3.057 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCCOc3ccccc3)n2CC2CCS(=O)(=O)CC2)n1 ZINC001304460501 1067539694 /nfs/dbraw/zinc/53/96/94/1067539694.db2.gz TVLACBDXMANGSK-UHFFFAOYSA-N 0 0 469.611 3.379 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302972592 1067540252 /nfs/dbraw/zinc/54/02/52/1067540252.db2.gz QWZPKZCDRUMRML-XZOQPEGZSA-N 0 0 492.546 3.412 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H](c3cnn(C)c3)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001302973996 1067540566 /nfs/dbraw/zinc/54/05/66/1067540566.db2.gz CIOHLJRPKJVXTO-NRFANRHFSA-N 0 0 485.633 3.355 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1C[C@]1(O)CCO[C@@H]1C ZINC001302973969 1067540666 /nfs/dbraw/zinc/54/06/66/1067540666.db2.gz BYEXRGRQXVGFLG-QOEFQVSFSA-N 0 0 452.958 3.387 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCc3ccc(Br)cc3)n2CC(=O)N(C)C)n1 ZINC001304462074 1067540634 /nfs/dbraw/zinc/54/06/34/1067540634.db2.gz XSMATICKYQKYQC-UHFFFAOYSA-N 0 0 457.376 3.178 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCOC(C)(C)C)n2CC[C@H](C(F)F)N2CCOCC2)n1 ZINC001304462275 1067540659 /nfs/dbraw/zinc/54/06/59/1067540659.db2.gz OMGRFGDHYFUELQ-LJQANCHMSA-N 0 0 466.577 3.256 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302975608 1067542047 /nfs/dbraw/zinc/54/20/47/1067542047.db2.gz MJRFXJNLHZODSK-FXAWDEMLSA-N 0 0 450.580 3.018 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001302975504 1067542114 /nfs/dbraw/zinc/54/21/14/1067542114.db2.gz KZTKFEXGLCYMTC-LEWJYISDSA-N 0 0 481.563 3.188 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CCC(=O)N(C)C ZINC001302975940 1067542165 /nfs/dbraw/zinc/54/21/65/1067542165.db2.gz MZMSSGKQSFIFRZ-SFHVURJKSA-N 0 0 451.518 3.134 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CCN2CCOCC2(C)C)n1 ZINC001304464018 1067542139 /nfs/dbraw/zinc/54/21/39/1067542139.db2.gz CJHBGBRAWSOBHW-NRFANRHFSA-N 0 0 497.688 3.136 20 0 JGADRN Cc1cccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCc2nc(C(C)(C)C)cs2)n1 ZINC001304464085 1067542192 /nfs/dbraw/zinc/54/21/92/1067542192.db2.gz IPLJAXQXPRKZTN-INIZCTEOSA-N 0 0 453.616 3.312 20 0 JGADRN Cc1cccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2Cc2ccc(CS(C)(=O)=O)cc2)n1 ZINC001304464218 1067542399 /nfs/dbraw/zinc/54/23/99/1067542399.db2.gz JRVULOYSKNZDNT-SFHVURJKSA-N 0 0 469.611 3.245 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N4CCCCC4)CC3)n2CCCCCCO)n1 ZINC001304465434 1067543622 /nfs/dbraw/zinc/54/36/22/1067543622.db2.gz NIEPUCOBLGEAKB-UHFFFAOYSA-N 0 0 454.619 3.430 20 0 JGADRN Cc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC2(NC(=O)OC(C)(C)C)COC2)n1 ZINC001304465913 1067544334 /nfs/dbraw/zinc/54/43/34/1067544334.db2.gz QYGLDXUILLOUIS-UHFFFAOYSA-N 0 0 486.617 3.336 20 0 JGADRN Ic1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCOCC2)cc1 ZINC001302979775 1067545418 /nfs/dbraw/zinc/54/54/18/1067545418.db2.gz KFJWQWXOKDMNNK-MRXNPFEDSA-N 0 0 454.312 3.009 20 0 JGADRN CC(C)Cc1nnc(N2CCOC3(CCOCC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001302981777 1067546159 /nfs/dbraw/zinc/54/61/59/1067546159.db2.gz MFKQDMUHTDNGIC-UHFFFAOYSA-N 0 0 469.508 3.247 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCN(C)c2ccccc2F)n1 ZINC001304467472 1067546216 /nfs/dbraw/zinc/54/62/16/1067546216.db2.gz IGCCLTMLHCKGSU-UHFFFAOYSA-N 0 0 451.550 3.016 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CCc2cccnc2)n1 ZINC001304467907 1067546552 /nfs/dbraw/zinc/54/65/52/1067546552.db2.gz WGJWUYQBLOWFNJ-UHFFFAOYSA-N 0 0 473.503 3.181 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](C)Oc2cccc(F)c2)n1 ZINC001304468150 1067546714 /nfs/dbraw/zinc/54/67/14/1067546714.db2.gz BSZARWWHAJJKJJ-KRWDZBQOSA-N 0 0 452.534 3.347 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCCN2CCOC2=O)n1 ZINC001304468217 1067546730 /nfs/dbraw/zinc/54/67/30/1067546730.db2.gz CYWGLZOOUZHYKW-IBGZPJMESA-N 0 0 499.616 3.184 20 0 JGADRN Cc1c(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cnn1C ZINC001304468079 1067546887 /nfs/dbraw/zinc/54/68/87/1067546887.db2.gz ADHJINAJZUVGKT-LJQANCHMSA-N 0 0 480.617 3.432 20 0 JGADRN CC(C)Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001302982950 1067547095 /nfs/dbraw/zinc/54/70/95/1067547095.db2.gz YKNSYXTXOQPENT-JGCGQSQUSA-N 0 0 492.711 3.341 20 0 JGADRN Cc1cnc(C2CCN(c3nnc(-c4cccc(C)n4)n3CCCS(C)(=O)=O)CC2)s1 ZINC001304468498 1067547285 /nfs/dbraw/zinc/54/72/85/1067547285.db2.gz FWOAJQLIYPELQT-UHFFFAOYSA-N 0 0 460.629 3.232 20 0 JGADRN CC(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001302983990 1067547484 /nfs/dbraw/zinc/54/74/84/1067547484.db2.gz AVVXPIMRAGBPIL-MRXNPFEDSA-N 0 0 459.385 3.185 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCOC[C@H]2CCCO2)n1 ZINC001304468639 1067547546 /nfs/dbraw/zinc/54/75/46/1067547546.db2.gz GPOIPAFSQWOMNM-VQTJNVASSA-N 0 0 486.617 3.338 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302985051 1067547796 /nfs/dbraw/zinc/54/77/96/1067547796.db2.gz HBXPTUDIWLSFHH-DOTOQJQBSA-N 0 0 451.493 3.322 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCCCCC1=O ZINC001302985000 1067547904 /nfs/dbraw/zinc/54/79/04/1067547904.db2.gz GODWOGJBLNTZPO-IBGZPJMESA-N 0 0 462.639 3.373 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCOCC1CCOCC1 ZINC001302984579 1067547923 /nfs/dbraw/zinc/54/79/23/1067547923.db2.gz ANSJOOJAIRDHAV-FQEVSTJZSA-N 0 0 465.639 3.413 20 0 JGADRN CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1sc2ccccc2c1Cl ZINC001302985463 1067548268 /nfs/dbraw/zinc/54/82/68/1067548268.db2.gz GXAKQXDMKMKANI-HNNXBMFYSA-N 0 0 454.932 3.310 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCCCCC1 ZINC001302985247 1067548339 /nfs/dbraw/zinc/54/83/39/1067548339.db2.gz JLXCKTOVGGEZJK-LJQANCHMSA-N 0 0 462.639 3.373 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)n2CCC(=O)NC(C)C)n1 ZINC001304469159 1067548297 /nfs/dbraw/zinc/54/82/97/1067548297.db2.gz MQUHPIXLDYXLBF-HXUWFJFHSA-N 0 0 494.575 3.103 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001304469394 1067548367 /nfs/dbraw/zinc/54/83/67/1067548367.db2.gz PKFJOBSXKIISSC-NVXWUHKLSA-N 0 0 486.564 3.460 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@](C)(O)c2ccsc2)n1 ZINC001304469409 1067548541 /nfs/dbraw/zinc/54/85/41/1067548541.db2.gz OCZUWLLANYGYBE-HSZRJFAPSA-N 0 0 454.600 3.100 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)n1 ZINC001304469754 1067548596 /nfs/dbraw/zinc/54/85/96/1067548596.db2.gz QVKIEYAIZVFGMY-HSZRJFAPSA-N 0 0 488.514 3.190 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCOC[C@@H]2CCCO2)n1 ZINC001304469469 1067548606 /nfs/dbraw/zinc/54/86/06/1067548606.db2.gz QKWFGWTWGUFZKV-KRWDZBQOSA-N 0 0 469.508 3.128 20 0 JGADRN CC(C)Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 ZINC001302986470 1067548942 /nfs/dbraw/zinc/54/89/42/1067548942.db2.gz NXNAWIGVRQARCM-VQTJNVASSA-N 0 0 495.690 3.041 20 0 JGADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCOC[C@@H]1CCOC1 ZINC001302987806 1067549236 /nfs/dbraw/zinc/54/92/36/1067549236.db2.gz YNOQAGUGFHRTMC-RBUKOAKNSA-N 0 0 451.612 3.023 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2([S@](C)=O)CCC2)n1 ZINC001304471113 1067549650 /nfs/dbraw/zinc/54/96/50/1067549650.db2.gz ANYTUZCHEWIRGM-JTYJAPAGSA-N 0 0 488.658 3.443 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC[C@@H](Oc4ccccc4)C3)n2CCCS(C)(=O)=O)n1 ZINC001304471413 1067549816 /nfs/dbraw/zinc/54/98/16/1067549816.db2.gz FZGPEGJSCVHQSE-HXUWFJFHSA-N 0 0 455.584 3.131 20 0 JGADRN Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001304471463 1067550240 /nfs/dbraw/zinc/55/02/40/1067550240.db2.gz GXQSGCKGQBSZDR-HXUWFJFHSA-N 0 0 493.612 3.111 20 0 JGADRN Cc1nc([C@H]2CCCN(c3nnc(-c4cccc(C)n4)n3CCS(C)(=O)=O)C2)sc1C ZINC001304471962 1067550271 /nfs/dbraw/zinc/55/02/71/1067550271.db2.gz KFKACBMRUGQOKD-KRWDZBQOSA-N 0 0 460.629 3.150 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@](C)(O)c2cccc(Cl)c2)n1 ZINC001304472138 1067550572 /nfs/dbraw/zinc/55/05/72/1067550572.db2.gz LSSZVJUWITZHSR-OSPHWJPCSA-N 0 0 468.989 3.301 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC2CCN(CC(F)(F)F)CC2)n1 ZINC001304472534 1067550907 /nfs/dbraw/zinc/55/09/07/1067550907.db2.gz JPTJWLGLJBXJQK-SFHVURJKSA-N 0 0 479.551 3.015 20 0 JGADRN Cc1cccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCOc2ccc(Cl)cn2)n1 ZINC001304473598 1067551535 /nfs/dbraw/zinc/55/15/35/1067551535.db2.gz DORSCDAKMXUIBV-GOSISDBHSA-N 0 0 491.017 3.179 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC001304473382 1067551556 /nfs/dbraw/zinc/55/15/56/1067551556.db2.gz MMDSJXZUUAXSMY-LJQANCHMSA-N 0 0 488.514 3.477 20 0 JGADRN Cc1cccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCOc2ccc(Cl)cn2)n1 ZINC001304473600 1067551558 /nfs/dbraw/zinc/55/15/58/1067551558.db2.gz DORSCDAKMXUIBV-SFHVURJKSA-N 0 0 491.017 3.179 20 0 JGADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cc(F)c(F)c2F)C1 ZINC001302990330 1067551966 /nfs/dbraw/zinc/55/19/66/1067551966.db2.gz CLPGSUXYIVCHQX-STQMWFEESA-N 0 0 477.528 3.365 20 0 JGADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc32)C1 ZINC001302990592 1067552282 /nfs/dbraw/zinc/55/22/82/1067552282.db2.gz IGJRNMOIWVUAGS-UXHICEINSA-N 0 0 474.675 3.214 20 0 JGADRN Cc1cccc(-c2nnc(N3CCc4nc(C(F)(F)F)ncc4C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001304474353 1067552332 /nfs/dbraw/zinc/55/23/32/1067552332.db2.gz RPCSTTKHPXLWCV-UHFFFAOYSA-N 0 0 488.518 3.325 20 0 JGADRN Cc1cccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2CCC(F)(F)C2)n1 ZINC001304474947 1067552559 /nfs/dbraw/zinc/55/25/59/1067552559.db2.gz KWVVOJKRNFMAHS-IAGOWNOFSA-N 0 0 453.559 3.487 20 0 JGADRN Cc1cccc(-c2nnc(N3CCCC3(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)n1 ZINC001304475020 1067552928 /nfs/dbraw/zinc/55/29/28/1067552928.db2.gz LLAMPUCTJKCDFI-UHFFFAOYSA-N 0 0 454.600 3.326 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(OC(F)F)c(F)c2)n1 ZINC001304475192 1067553400 /nfs/dbraw/zinc/55/34/00/1067553400.db2.gz WKZVDCHCPIAZFZ-OAHLLOKOSA-N 0 0 460.460 3.139 20 0 JGADRN CC(C)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)C1 ZINC001302991883 1067553355 /nfs/dbraw/zinc/55/33/55/1067553355.db2.gz TXQJJOLARPIDNV-QWHCGFSZSA-N 0 0 480.582 3.284 20 0 JGADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)C1 ZINC001302991884 1067553386 /nfs/dbraw/zinc/55/33/86/1067553386.db2.gz TXQJJOLARPIDNV-STQMWFEESA-N 0 0 480.582 3.284 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2CCCS(C)(=O)=O)n1 ZINC001304475407 1067553685 /nfs/dbraw/zinc/55/36/85/1067553685.db2.gz QMWAYNUZKYRTPR-MAUKXSAKSA-N 0 0 458.415 3.103 20 0 JGADRN O=C(N[C@@H]1CCc2cc(F)ccc21)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC001304475571 1067553711 /nfs/dbraw/zinc/55/37/11/1067553711.db2.gz NAHYNGZRBDXVTI-SJLPKXTDSA-N 0 0 452.573 3.230 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(c4ccc(C(N)=O)cc4)CC3)n2CCCC(F)(F)F)n1 ZINC001304475860 1067553923 /nfs/dbraw/zinc/55/39/23/1067553923.db2.gz AHCUZXHQQIDREZ-UHFFFAOYSA-N 0 0 473.503 3.417 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC(S(C)(=O)=O)CC2)s1 ZINC001304475787 1067554025 /nfs/dbraw/zinc/55/40/25/1067554025.db2.gz REXIVRKQQITEGG-AWEZNQCLSA-N 0 0 460.629 3.231 20 0 JGADRN CC(C)C[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(=O)N(C)C)C1 ZINC001302993115 1067554191 /nfs/dbraw/zinc/55/41/91/1067554191.db2.gz CJGIDJZAVOZCGA-HXUWFJFHSA-N 0 0 468.650 3.193 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccnc(C(F)(F)F)c2)n1 ZINC001304476563 1067554665 /nfs/dbraw/zinc/55/46/65/1067554665.db2.gz VVCSAAIFAHCGGQ-MRXNPFEDSA-N 0 0 480.516 3.124 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CCN2CCOC(C)(C)C2)n1 ZINC001304477488 1067555536 /nfs/dbraw/zinc/55/55/36/1067555536.db2.gz KKEYTPYHUKXFIB-FQEVSTJZSA-N 0 0 499.660 3.205 20 0 JGADRN Cc1nnc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC001304477524 1067555772 /nfs/dbraw/zinc/55/57/72/1067555772.db2.gz LZTZQGWBKNLBHH-HNNXBMFYSA-N 0 0 470.603 3.302 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC2(O)CCCCC2)n1 ZINC001304477694 1067555804 /nfs/dbraw/zinc/55/58/04/1067555804.db2.gz SLOKJOJIFCJEGH-UHFFFAOYSA-N 0 0 456.591 3.258 20 0 JGADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001302995946 1067555821 /nfs/dbraw/zinc/55/58/21/1067555821.db2.gz UXTJPLGWSONLJW-QUCCMNQESA-N 0 0 461.632 3.283 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001304477801 1067556039 /nfs/dbraw/zinc/55/60/39/1067556039.db2.gz CVVULRWSKGKCEX-OAHLLOKOSA-N 0 0 462.524 3.120 20 0 JGADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 ZINC001302996200 1067556059 /nfs/dbraw/zinc/55/60/59/1067556059.db2.gz FPRVFDRHVPTTPH-SFHVURJKSA-N 0 0 496.015 3.129 20 0 JGADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccc(F)cc2)C1 ZINC001302996199 1067556116 /nfs/dbraw/zinc/55/61/16/1067556116.db2.gz WLVXTROTVAMZMN-IXFSTUDKSA-N 0 0 464.607 3.099 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN([C@H](C)C(=O)N4CCCC4)CC3)n2CCCC(C)C)n1 ZINC001304477989 1067556420 /nfs/dbraw/zinc/55/64/20/1067556420.db2.gz VPHBKDWNTGCZTC-OAQYLSRUSA-N 0 0 453.635 3.218 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(c4ncc(F)cn4)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001304478287 1067556648 /nfs/dbraw/zinc/55/66/48/1067556648.db2.gz GGJBJIFBQVDDRM-XMMPIXPASA-N 0 0 468.581 3.091 20 0 JGADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001302998116 1067556673 /nfs/dbraw/zinc/55/66/73/1067556673.db2.gz GWJBTNJIKKIAHI-IBGZPJMESA-N 0 0 481.062 3.334 20 0 JGADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC001302998567 1067557036 /nfs/dbraw/zinc/55/70/36/1067557036.db2.gz JIRKPVXOAGBLHV-KJJMTIBFSA-N 0 0 497.706 3.079 20 0 JGADRN CC(C)C[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001302998704 1067557060 /nfs/dbraw/zinc/55/70/60/1067557060.db2.gz LUQCVXWWZVZZNZ-LEWJYISDSA-N 0 0 475.659 3.054 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC2([S@@](C)=O)CCC2)n1 ZINC001304478502 1067557356 /nfs/dbraw/zinc/55/73/56/1067557356.db2.gz VLZNCDTYMAHQJE-USXNREEHSA-N 0 0 488.658 3.395 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(C(=O)CC4CCCCC4)CC3)n2CCSCCCO)n1 ZINC001304478623 1067557436 /nfs/dbraw/zinc/55/74/36/1067557436.db2.gz XUUDCCJBSWPDHG-UHFFFAOYSA-N 0 0 486.686 3.383 20 0 JGADRN Cc1cccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCCSc2ccccc2)n1 ZINC001304478913 1067557968 /nfs/dbraw/zinc/55/79/68/1067557968.db2.gz IYJJZFWNGWPPAL-UHFFFAOYSA-N 0 0 486.667 3.303 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(CC(=O)N4C[C@H](C)C[C@H](C)C4)CC3)n2CCC(C)(F)F)n1 ZINC001304479281 1067558605 /nfs/dbraw/zinc/55/86/05/1067558605.db2.gz WBKFPUGXFUMNRS-KDURUIRLSA-N 0 0 489.615 3.320 20 0 JGADRN Cc1cccc(-c2nnc(N3CCCN(c4ncccc4F)CC3)n2CC[S@](=O)C(C)(C)C)n1 ZINC001304479338 1067558652 /nfs/dbraw/zinc/55/86/52/1067558652.db2.gz RTJNOMZNVRLZET-UMSFTDKQSA-N 0 0 485.633 3.447 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001303002115 1067559065 /nfs/dbraw/zinc/55/90/65/1067559065.db2.gz AVTHYSIDSFXYRS-AUUYWEPGSA-N 0 0 490.468 3.092 20 0 JGADRN Cc1cc(CN2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](C)NC(=O)OC(C)(C)C)CC2)no1 ZINC001304479816 1067559279 /nfs/dbraw/zinc/55/92/79/1067559279.db2.gz CJLCCVXOUWBJOH-GOSISDBHSA-N 0 0 496.616 3.180 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001303002439 1067559770 /nfs/dbraw/zinc/55/97/70/1067559770.db2.gz CRXDNHWJLSKZQM-AJSBUHFISA-N 0 0 467.680 3.402 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001303002667 1067559959 /nfs/dbraw/zinc/55/99/59/1067559959.db2.gz FPVIMBDGXXJYHA-XFAGBWLFSA-N 0 0 461.582 3.411 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001303002847 1067560298 /nfs/dbraw/zinc/56/02/98/1067560298.db2.gz IVFSBOTVSMECPF-GGUMNFRJSA-N 0 0 475.565 3.385 20 0 JGADRN 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Cc1noc(CCCn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@@H](C)C2)n1 ZINC001304894655 1067939156 /nfs/dbraw/zinc/93/91/56/1067939156.db2.gz QLAYIENSIYJPDQ-LBPRGKRZSA-N 0 0 466.409 3.312 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1C[C@H](c1ccco1)N(C)C ZINC001303413305 1067939157 /nfs/dbraw/zinc/93/91/57/1067939157.db2.gz BUQODHPHZQPCPK-TZIWHRDSSA-N 0 0 488.539 3.168 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1C[C@](C)(O)C(C)C ZINC001303413762 1067939459 /nfs/dbraw/zinc/93/94/59/1067939459.db2.gz DFEGCHBEHDOERB-GCJKJVERSA-N 0 0 494.434 3.164 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1CCCOC[C@@H]1CCCO1 ZINC001303413867 1067939749 /nfs/dbraw/zinc/93/97/49/1067939749.db2.gz FKRYNWCUKVVWDO-GHTZIAJQSA-N 0 0 492.020 3.233 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CCCc1cnn(C)c1 ZINC001303413776 1067939848 /nfs/dbraw/zinc/93/98/48/1067939848.db2.gz DJJQYWYDBCVCPC-HXUWFJFHSA-N 0 0 489.983 3.153 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001303413997 1067940162 /nfs/dbraw/zinc/94/01/62/1067940162.db2.gz FYDFIHSMSSJWPA-QINHECLXSA-N 0 0 463.529 3.088 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001303414041 1067940172 /nfs/dbraw/zinc/94/01/72/1067940172.db2.gz GZASBNAVHDKCMZ-DFIYOIEZSA-N 0 0 455.603 3.374 20 0 JGADRN Cc1noc(CCCn2c([C@@H]3CCCCO3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC001304895888 1067940549 /nfs/dbraw/zinc/94/05/49/1067940549.db2.gz GHLIHONBTQIXBI-SFHVURJKSA-N 0 0 475.594 3.337 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CCc1nccs1 ZINC001303414406 1067940723 /nfs/dbraw/zinc/94/07/23/1067940723.db2.gz KEMYEFHMUGGKDM-ZDUSSCGKSA-N 0 0 467.020 3.408 20 0 JGADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C[C@H]1C1CC1 ZINC001303414284 1067940752 /nfs/dbraw/zinc/94/07/52/1067940752.db2.gz OVSPNFHPXYWXPX-ZWKOTPCHSA-N 0 0 469.003 3.320 20 0 JGADRN Cc1noc(CCCn2c(Cc3ccccc3F)nnc2N(C)CC2COC(C)(C)OC2)n1 ZINC001304896696 1067941283 /nfs/dbraw/zinc/94/12/83/1067941283.db2.gz ZINQRGNBXPPNFH-UHFFFAOYSA-N 0 0 458.538 3.168 20 0 JGADRN NS(=O)(=O)c1cc(C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)ccc1Cl ZINC001304896610 1067941289 /nfs/dbraw/zinc/94/12/89/1067941289.db2.gz ZSOHPBDFGYZLMX-UHFFFAOYSA-N 0 0 452.319 3.103 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC1(O)CCCCC1 ZINC001303414455 1067941266 /nfs/dbraw/zinc/94/12/66/1067941266.db2.gz LIBQZRMXPYYCOW-IBGZPJMESA-N 0 0 493.555 3.291 20 0 JGADRN Cc1noc(CCCn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnn(C)c2C)n1 ZINC001304897139 1067941542 /nfs/dbraw/zinc/94/15/42/1067941542.db2.gz UDDYCNDFNLREMX-UHFFFAOYSA-N 0 0 456.501 3.150 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@H](c1ccco1)N(C)C ZINC001303414625 1067941625 /nfs/dbraw/zinc/94/16/25/1067941625.db2.gz MITZJANSDYGHLF-CTNGQTDRSA-N 0 0 470.549 3.029 20 0 JGADRN Cc1noc(CCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304897280 1067941836 /nfs/dbraw/zinc/94/18/36/1067941836.db2.gz WVFHPOFCNTVFKV-SCTDSRPQSA-N 0 0 489.621 3.330 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001303414941 1067942158 /nfs/dbraw/zinc/94/21/58/1067942158.db2.gz RIKANLHVBFKBTM-SQJMNOBHSA-N 0 0 473.593 3.465 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001303414935 1067942220 /nfs/dbraw/zinc/94/22/20/1067942220.db2.gz RIKANLHVBFKBTM-BWKNWUBXSA-N 0 0 473.593 3.465 20 0 JGADRN Cc1cc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)on1 ZINC001304897955 1067942212 /nfs/dbraw/zinc/94/22/12/1067942212.db2.gz CFALJGIHXLHFJG-QGZVFWFLSA-N 0 0 470.578 3.107 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CC[C@@H]1CCOC1 ZINC001303415137 1067942419 /nfs/dbraw/zinc/94/24/19/1067942419.db2.gz SPIAMIDFSYKEKJ-APWZRJJASA-N 0 0 479.528 3.022 20 0 JGADRN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccco2)Cc2ccc(C)s2)on1 ZINC001304898147 1067942486 /nfs/dbraw/zinc/94/24/86/1067942486.db2.gz WBJLMUDMVSMHFI-INIZCTEOSA-N 0 0 490.611 3.403 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CCC[C@H]1CCCCO1 ZINC001303415065 1067942499 /nfs/dbraw/zinc/94/24/99/1067942499.db2.gz FFCKOUBSYHOOAQ-YADHBBJMSA-N 0 0 455.603 3.214 20 0 JGADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@H](S(C)(=O)=O)C2)on1 ZINC001304898947 1067942807 /nfs/dbraw/zinc/94/28/07/1067942807.db2.gz RTYJHJTWTQSRGM-AWEZNQCLSA-N 0 0 456.355 3.220 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCOC3(CCCC3)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001303415682 1067943355 /nfs/dbraw/zinc/94/33/55/1067943355.db2.gz JJCSJEKOICPVSJ-UHFFFAOYSA-N 0 0 467.492 3.355 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1C[C@@](C)(O)C(C)C ZINC001303415703 1067943460 /nfs/dbraw/zinc/94/34/60/1067943460.db2.gz WTBSIUSPFRGPRV-PGRDOPGGSA-N 0 0 467.973 3.194 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCOCC3(CC3)C2)n1CCc1ccc(Br)s1 ZINC001303416060 1067943678 /nfs/dbraw/zinc/94/36/78/1067943678.db2.gz JGSYWYWQABBMIP-UHFFFAOYSA-N 0 0 468.421 3.100 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1C[C@@H]1CCC=CO1 ZINC001303416011 1067943716 /nfs/dbraw/zinc/94/37/16/1067943716.db2.gz ZANWASCBGWOOBP-RBUKOAKNSA-N 0 0 490.402 3.449 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001303416117 1067944106 /nfs/dbraw/zinc/94/41/06/1067944106.db2.gz KSGQOWAZFYAFKS-PMACEKPBSA-N 0 0 490.649 3.069 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001303416698 1067944466 /nfs/dbraw/zinc/94/44/66/1067944466.db2.gz VUDLBVJTNWMZQO-MJGOQNOKSA-N 0 0 459.566 3.276 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001303416694 1067944479 /nfs/dbraw/zinc/94/44/79/1067944479.db2.gz VQIIXYBNXIKRIR-UHFFFAOYSA-N 0 0 481.519 3.413 20 0 JGADRN Cc1cc(CN2CCN(c3nnc(C4CCCC4)n3CCCN(C)CC(F)(F)F)CC2)on1 ZINC001304900956 1067944575 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459.522 3.318 20 0 JGADRN Cc1nsc(N2CCCN(c3nnc(C)n3Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001304902246 1067946050 /nfs/dbraw/zinc/94/60/50/1067946050.db2.gz VCMATIKMKOEVNX-UHFFFAOYSA-N 0 0 453.494 3.410 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001303421005 1067946918 /nfs/dbraw/zinc/94/69/18/1067946918.db2.gz OSRDDLCOGSCNOB-ICSRJNTNSA-N 0 0 470.643 3.047 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CCc1ccsc1 ZINC001303421404 1067947294 /nfs/dbraw/zinc/94/72/94/1067947294.db2.gz RILJKYDJPZVJMO-HDICACEKSA-N 0 0 474.631 3.024 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1Cc1ccnc(N2CCCCC2)c1 ZINC001303421590 1067947304 /nfs/dbraw/zinc/94/73/04/1067947304.db2.gz VJJCDWRCVHEKID-QZTJIDSGSA-N 0 0 457.648 3.180 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001303421681 1067947652 /nfs/dbraw/zinc/94/76/52/1067947652.db2.gz WKXKARURZCQKOA-SJORKVTESA-N 0 0 478.663 3.314 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001303422446 1067947858 /nfs/dbraw/zinc/94/78/58/1067947858.db2.gz CFWZDQCPPRPZFE-KRWDZBQOSA-N 0 0 455.994 3.316 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303422620 1067947912 /nfs/dbraw/zinc/94/79/12/1067947912.db2.gz DFMPGQOWXLHBMG-AWEZNQCLSA-N 0 0 475.018 3.430 20 0 JGADRN C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1CCCNc1ccccn1 ZINC001304903484 1067948072 /nfs/dbraw/zinc/94/80/72/1067948072.db2.gz PTNTULZTQSHSOV-INIZCTEOSA-N 0 0 484.402 3.272 20 0 JGADRN C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCSC1 ZINC001304903469 1067948087 /nfs/dbraw/zinc/94/80/87/1067948087.db2.gz HRTDLDIGONPUEY-STQMWFEESA-N 0 0 468.396 3.267 20 0 JGADRN CC(C)NC(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccccn2)CC1 ZINC001303422788 1067948350 /nfs/dbraw/zinc/94/83/50/1067948350.db2.gz GFLKILNGUWTWCI-IBGZPJMESA-N 0 0 481.576 3.194 20 0 JGADRN CC(C)NC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)C)C1 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KDUSBPPWXXNHDT-YESZJQIVSA-N 0 0 453.538 3.218 20 0 JGADRN C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccsc2)CC1 ZINC001305012641 1068052852 /nfs/dbraw/zinc/05/28/52/1068052852.db2.gz AACSJBQECOFNTF-IBGZPJMESA-N 0 0 458.676 3.500 20 0 JGADRN C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC(F)(F)F)CC1 ZINC001305012700 1068052877 /nfs/dbraw/zinc/05/28/77/1068052877.db2.gz AYYWZTWWMDPCFR-OALUTQOASA-N 0 0 486.583 3.385 20 0 JGADRN C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCCC(F)(F)F)CC1 ZINC001305012701 1068053002 /nfs/dbraw/zinc/05/30/02/1068053002.db2.gz AYYWZTWWMDPCFR-RBUKOAKNSA-N 0 0 486.583 3.385 20 0 JGADRN CNC(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)CCc2ccc(I)cc2)C1 ZINC001303521327 1068053174 /nfs/dbraw/zinc/05/31/74/1068053174.db2.gz OZFDTRFMSXNKRD-RHSMWYFYSA-N 0 0 457.356 3.170 20 0 JGADRN CNC(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)CCc2ccc(I)cc2)C1 ZINC001303521330 1068053227 /nfs/dbraw/zinc/05/32/27/1068053227.db2.gz OZFDTRFMSXNKRD-WMLDXEAASA-N 0 0 457.356 3.170 20 0 JGADRN CC(C)OC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nccs2)CC1 ZINC001303523684 1068053915 /nfs/dbraw/zinc/05/39/15/1068053915.db2.gz DSGJXFGMUNDUGF-SFHVURJKSA-N 0 0 492.646 3.485 20 0 JGADRN CC(C)OC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001303523871 1068054052 /nfs/dbraw/zinc/05/40/52/1068054052.db2.gz IOBUCEZCNOBGHZ-DLBZAZTESA-N 0 0 456.678 3.106 20 0 JGADRN CC(C)OC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001303524635 1068054770 /nfs/dbraw/zinc/05/47/70/1068054770.db2.gz SCITVELPZHTZSJ-LJQANCHMSA-N 0 0 456.591 3.318 20 0 JGADRN CC(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001303525703 1068055809 /nfs/dbraw/zinc/05/58/09/1068055809.db2.gz NQYARAVPUBRNJE-INIZCTEOSA-N 0 0 468.023 3.212 20 0 JGADRN CC(C)OC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnn(C)c2)CC1 ZINC001303525760 1068056006 /nfs/dbraw/zinc/05/60/06/1068056006.db2.gz PBNXJUHUUFQBAJ-UHFFFAOYSA-N 0 0 462.396 3.222 20 0 JGADRN CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F ZINC001303526246 1068056188 /nfs/dbraw/zinc/05/61/88/1068056188.db2.gz VYYADDUSMMYYPB-GHMZBOCLSA-N 0 0 455.428 3.225 20 0 JGADRN CC(C)OC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)CC1 ZINC001303526123 1068056431 /nfs/dbraw/zinc/05/64/31/1068056431.db2.gz RCLKCOVQABTRDY-INIZCTEOSA-N 0 0 486.038 3.015 20 0 JGADRN CC(C)OC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303527446 1068056975 /nfs/dbraw/zinc/05/69/75/1068056975.db2.gz RUVMOLKBRCLKIN-UHFFFAOYSA-N 0 0 457.575 3.230 20 0 JGADRN CC(C)OC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001303527859 1068057250 /nfs/dbraw/zinc/05/72/50/1068057250.db2.gz WROFHIXXLNZUSU-QGZVFWFLSA-N 0 0 482.507 3.007 20 0 JGADRN CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O ZINC001303528427 1068057697 /nfs/dbraw/zinc/05/76/97/1068057697.db2.gz BFUWTAIKBOMVHM-MRXNPFEDSA-N 0 0 455.389 3.274 20 0 JGADRN CC(C)OC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001303529976 1068057904 /nfs/dbraw/zinc/05/79/04/1068057904.db2.gz ILKFBIJMNIAHGO-ROUUACIJSA-N 0 0 461.632 3.479 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)c2ccccc2)CCO1 ZINC001303529894 1068058052 /nfs/dbraw/zinc/05/80/52/1068058052.db2.gz FXUDYXZTACLZKF-UNMCSNQZSA-N 0 0 455.603 3.338 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCSc2ccccc2)CCO1 ZINC001303530208 1068058437 /nfs/dbraw/zinc/05/84/37/1068058437.db2.gz PGTGLYVKZJSZEZ-HXUWFJFHSA-N 0 0 473.643 3.327 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)CCC2)CCO1 ZINC001303530480 1068058885 /nfs/dbraw/zinc/05/88/85/1068058885.db2.gz DZZLOBNJRBGIBY-FQEVSTJZSA-N 0 0 491.658 3.016 20 0 JGADRN C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc(C(C)(C)C)n2CCSC(F)(F)F)CC1 ZINC001305015993 1068059283 /nfs/dbraw/zinc/05/92/83/1068059283.db2.gz JNZDSBCPYNZTLY-INIZCTEOSA-N 0 0 476.613 3.352 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(C)CN(C)C2=O)CCO1 ZINC001303530799 1068059624 /nfs/dbraw/zinc/05/96/24/1068059624.db2.gz HPYNVLLRMRKHDY-GERBCZOESA-N 0 0 492.020 3.180 20 0 JGADRN CC(C)OC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC001303530954 1068059950 /nfs/dbraw/zinc/05/99/50/1068059950.db2.gz ZZZOFZHJJSRJAN-XMMPIXPASA-N 0 0 476.021 3.355 20 0 JGADRN CC(C)OC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001303530881 1068060087 /nfs/dbraw/zinc/06/00/87/1068060087.db2.gz ZCMMOKLJYTZLTM-HXUWFJFHSA-N 0 0 450.967 3.320 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCc2ccco2)CCO1 ZINC001303530967 1068060146 /nfs/dbraw/zinc/06/01/46/1068060146.db2.gz ITASSVKPICEAQR-GOSISDBHSA-N 0 0 491.951 3.277 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSC(F)(F)F)CCO1 ZINC001303531140 1068060258 /nfs/dbraw/zinc/06/02/58/1068060258.db2.gz KNCDZCVIGHFWIM-VQIMIIECSA-N 0 0 482.569 3.202 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCOCC2)CCO1 ZINC001303532006 1068061365 /nfs/dbraw/zinc/06/13/65/1068061365.db2.gz VPKPNXVDCPYKQV-NQIIRXRSSA-N 0 0 495.020 3.243 20 0 JGADRN C[C@H]1CCCN(C(=O)C2CCN(c3nnc(C(C)(C)C)n3CCNC(=O)C(C)(C)C)CC2)C1 ZINC001305017827 1068061581 /nfs/dbraw/zinc/06/15/81/1068061581.db2.gz FQFDTAHRJRHRGN-SFHVURJKSA-N 0 0 460.667 3.213 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(F)F)CCO1 ZINC001303532067 1068061756 /nfs/dbraw/zinc/06/17/56/1068061756.db2.gz WLUHOXBFNXEYTD-KRWDZBQOSA-N 0 0 472.558 3.024 20 0 JGADRN C[C@@H]1CCCCN1C(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(F)(F)F)CC1 ZINC001305017494 1068061815 /nfs/dbraw/zinc/06/18/15/1068061815.db2.gz PHCKPTBGZCPZMJ-OAHLLOKOSA-N 0 0 485.942 3.079 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(C3CC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CCO1 ZINC001303533405 1068062535 /nfs/dbraw/zinc/06/25/35/1068062535.db2.gz GNTIZPLTJOFLMW-WIYYLYMNSA-N 0 0 454.493 3.236 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCCNC(=O)C2CCC2)CCO1 ZINC001303532981 1068062674 /nfs/dbraw/zinc/06/26/74/1068062674.db2.gz CQBIQISMUGWDPF-IBGZPJMESA-N 0 0 459.566 3.021 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCc2cccc(C(=O)N(C)C)c2)CCO1 ZINC001303535129 1068063894 /nfs/dbraw/zinc/06/38/94/1068063894.db2.gz AHFMNCSNZFOPIF-QFIPXVFZSA-N 0 0 471.646 3.441 20 0 JGADRN CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](C)C1)N1CCOCC1 ZINC001305018789 1068064036 /nfs/dbraw/zinc/06/40/36/1068064036.db2.gz VIHILXPXJZIWGZ-UXHICEINSA-N 0 0 474.675 3.253 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCc2ccncc2)CCO1 ZINC001303535781 1068064085 /nfs/dbraw/zinc/06/40/85/1068064085.db2.gz GUJGJPLKUIUBEX-LJQANCHMSA-N 0 0 457.525 3.415 20 0 JGADRN CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](C)C1)N1CCOCC1 ZINC001305018791 1068064352 /nfs/dbraw/zinc/06/43/52/1068064352.db2.gz VIHILXPXJZIWGZ-WOJBJXKFSA-N 0 0 474.675 3.253 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CC(F)(F)Br)CCO1 ZINC001303536430 1068064945 /nfs/dbraw/zinc/06/49/45/1068064945.db2.gz NEVPWLJWIQYKGN-MRXNPFEDSA-N 0 0 499.360 3.135 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2ccc(F)c(F)c2F)CCO1 ZINC001303536501 1068064992 /nfs/dbraw/zinc/06/49/92/1068064992.db2.gz OKEFPTDCPRZWLI-IRXDYDNUSA-N 0 0 454.493 3.072 20 0 JGADRN C[C@@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCCS2(=O)=O)C1 ZINC001305019333 1068065337 /nfs/dbraw/zinc/06/53/37/1068065337.db2.gz XRAPACIDELVSTK-MOPGFXCFSA-N 0 0 496.678 3.012 20 0 JGADRN CC(C)OC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2nccn2C(F)F)CCO1 ZINC001303536801 1068065409 /nfs/dbraw/zinc/06/54/09/1068065409.db2.gz TTXSDZASLDSMAU-KRWDZBQOSA-N 0 0 464.492 3.278 20 0 JGADRN C[C@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001305019802 1068065521 /nfs/dbraw/zinc/06/55/21/1068065521.db2.gz YZDUAXUPMHLQTE-OTWHNJEPSA-N 0 0 481.663 3.411 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(=O)N(C)C)CCO1 ZINC001303537046 1068066402 /nfs/dbraw/zinc/06/64/02/1068066402.db2.gz XVPRLNUHXOAHDL-HXUWFJFHSA-N 0 0 464.010 3.021 20 0 JGADRN CC(C)OCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001303537604 1068066583 /nfs/dbraw/zinc/06/65/83/1068066583.db2.gz CNOJAZRTKMHIKJ-UHFFFAOYSA-N 0 0 470.039 3.322 20 0 JGADRN CC(C)OCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSC[C@@H]1C ZINC001303538479 1068067525 /nfs/dbraw/zinc/06/75/25/1068067525.db2.gz NIJWDOWNZSQHIU-SFHVURJKSA-N 0 0 481.688 3.342 20 0 JGADRN CC(C)C(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001305020178 1068067622 /nfs/dbraw/zinc/06/76/22/1068067622.db2.gz MUITUDWPCFQNPO-IRLDBZIGSA-N 0 0 488.677 3.157 20 0 JGADRN CC(C)OC[C@H]1CN(c2nnc(COc3ccccc3F)n2Cc2ncccc2N(C)C)CCO1 ZINC001303538658 1068067944 /nfs/dbraw/zinc/06/79/44/1068067944.db2.gz IUVRFKUYJYUSGF-LJQANCHMSA-N 0 0 484.576 3.136 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC1(C(C)C)CC1 ZINC001305020336 1068067862 /nfs/dbraw/zinc/06/78/62/1068067862.db2.gz 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001305074534 1068148832 /nfs/dbraw/zinc/14/88/32/1068148832.db2.gz KKOJLKYXPCHNQY-INIZCTEOSA-N 0 0 489.564 3.252 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCCS2(=O)=O)C[C@H]1C ZINC001305074634 1068148861 /nfs/dbraw/zinc/14/88/61/1068148861.db2.gz XAJYNFIQJUQUAV-HZPDHXFCSA-N 0 0 482.448 3.225 20 0 JGADRN C[C@H](c1ccccc1F)N(C)c1nnc(Cc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 ZINC001303615579 1068149007 /nfs/dbraw/zinc/14/90/07/1068149007.db2.gz YEVGHHLCMDKKLG-QGZVFWFLSA-N 0 0 457.575 3.425 20 0 JGADRN CC(C)O[C@@]1(c2nnc(N3CCC(C)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCOC1 ZINC001305076151 1068149912 /nfs/dbraw/zinc/14/99/12/1068149912.db2.gz TXWWHTNMAPLXKX-NQIIRXRSSA-N 0 0 459.557 3.439 20 0 JGADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O ZINC001303616046 1068150284 /nfs/dbraw/zinc/15/02/84/1068150284.db2.gz NVURUMXKIUUTHU-GFCCVEGCSA-N 0 0 486.367 3.186 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001305077128 1068150492 /nfs/dbraw/zinc/15/04/92/1068150492.db2.gz XTKBGCCKSPRZKT-HUUCEWRRSA-N 0 0 470.437 3.081 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 ZINC001305076557 1068150554 /nfs/dbraw/zinc/15/05/54/1068150554.db2.gz UVTWHYQNMYRVKY-CQSZACIVSA-N 0 0 495.422 3.186 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001305077616 1068151160 /nfs/dbraw/zinc/15/11/60/1068151160.db2.gz YVFDOSSMCQOAEM-VXGBXAGGSA-N 0 0 477.329 3.207 20 0 JGADRN C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001305077612 1068151166 /nfs/dbraw/zinc/15/11/66/1068151166.db2.gz YVFDOSSMCQOAEM-NWDGAFQWSA-N 0 0 477.329 3.207 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001305077605 1068151191 /nfs/dbraw/zinc/15/11/91/1068151191.db2.gz YVFDOSSMCQOAEM-NEPJUHHUSA-N 0 0 477.329 3.207 20 0 JGADRN CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C)C3)n2CCc2nccc(C(F)(F)F)n2)CCOC1 ZINC001305077513 1068151239 /nfs/dbraw/zinc/15/12/39/1068151239.db2.gz YIJIKPBBKHRQOO-QRWLVFNGSA-N 0 0 454.497 3.216 20 0 JGADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 ZINC001303619169 1068151462 /nfs/dbraw/zinc/15/14/62/1068151462.db2.gz DTHVZHYYJBYSIU-BTYIYWSLSA-N 0 0 478.665 3.476 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C(N)=O)CCOCC2)[C@H]1C ZINC001305079011 1068152437 /nfs/dbraw/zinc/15/24/37/1068152437.db2.gz LWJWKUSHWWAEIT-KGLIPLIRSA-N 0 0 480.382 3.364 20 0 JGADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F ZINC001303620801 1068152568 /nfs/dbraw/zinc/15/25/68/1068152568.db2.gz HKSWHLJBIUNLRI-OLZOCXBDSA-N 0 0 456.544 3.079 20 0 JGADRN C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F ZINC001303621163 1068152955 /nfs/dbraw/zinc/15/29/55/1068152955.db2.gz JPNDPZSQUUFZSZ-HUUCEWRRSA-N 0 0 479.594 3.323 20 0 JGADRN CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001305079622 1068152994 /nfs/dbraw/zinc/15/29/94/1068152994.db2.gz NMZGFGQXRUTPEQ-UHFFFAOYSA-N 0 0 481.605 3.462 20 0 JGADRN CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001305080491 1068153008 /nfs/dbraw/zinc/15/30/08/1068153008.db2.gz QZWXGDXXLUZUNZ-INIZCTEOSA-N 0 0 451.358 3.476 20 0 JGADRN CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2ccccn2)CC1 ZINC001305080187 1068153044 /nfs/dbraw/zinc/15/30/44/1068153044.db2.gz NIXQBMXQJSBBBH-UHFFFAOYSA-N 0 0 454.600 3.482 20 0 JGADRN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O ZINC001303623144 1068154247 /nfs/dbraw/zinc/15/42/47/1068154247.db2.gz TUNMFAJFMBVUOM-SJORKVTESA-N 0 0 481.619 3.228 20 0 JGADRN C[C@H](c1ccco1)N(C)c1nnc(Cc2ccncc2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001303623490 1068154281 /nfs/dbraw/zinc/15/42/81/1068154281.db2.gz JAKBTWHWZWFQMQ-QGZVFWFLSA-N 0 0 468.558 3.348 20 0 JGADRN C[C@@H](c1ccco1)N(C)c1nnc(Cc2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001303624181 1068155042 /nfs/dbraw/zinc/15/50/42/1068155042.db2.gz KXMIOFSPNBJBAD-HKUYNNGSSA-N 0 0 460.529 3.410 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001305083985 1068155265 /nfs/dbraw/zinc/15/52/65/1068155265.db2.gz TVUJLLNONQYSTB-CVEARBPZSA-N 0 0 460.579 3.403 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCSC2)CC1(C)C ZINC001305082722 1068155383 /nfs/dbraw/zinc/15/53/83/1068155383.db2.gz XQRCKXSOQPSKFI-ZHRRBRCNSA-N 0 0 464.657 3.089 20 0 JGADRN C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCSC2)CC1(C)C ZINC001305082718 1068155411 /nfs/dbraw/zinc/15/54/11/1068155411.db2.gz XQRCKXSOQPSKFI-AOMKIAJQSA-N 0 0 464.657 3.089 20 0 JGADRN COc1cc(C(=O)NCC(=O)N2CCCC[C@H]2CC2(O)CCCCC2)ccc1OC(F)F ZINC001303626798 1068155963 /nfs/dbraw/zinc/15/59/63/1068155963.db2.gz VUKAIFDHPAJXLG-KRWDZBQOSA-N 0 0 454.514 3.493 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC001305084580 1068155926 /nfs/dbraw/zinc/15/59/26/1068155926.db2.gz XQNXEEBUICHJNB-QGZVFWFLSA-N 0 0 472.615 3.034 20 0 JGADRN C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC001305084579 1068155936 /nfs/dbraw/zinc/15/59/36/1068155936.db2.gz XQNXEEBUICHJNB-KRWDZBQOSA-N 0 0 472.615 3.034 20 0 JGADRN CC(C)C(=O)NCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)CC1 ZINC001305086828 1068156590 /nfs/dbraw/zinc/15/65/90/1068156590.db2.gz LVRAXXBKIOHDJC-IBGZPJMESA-N 0 0 462.639 3.401 20 0 JGADRN C[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCc2cnn(C)n2)C1 ZINC001305087207 1068157039 /nfs/dbraw/zinc/15/70/39/1068157039.db2.gz QPZIUFPZCYTLIG-ROUUACIJSA-N 0 0 458.611 3.000 20 0 JGADRN C[C@H](c1nccs1)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOCC(F)F)CC1 ZINC001303627494 1068157217 /nfs/dbraw/zinc/15/72/17/1068157217.db2.gz ASNKXRQJXQARNF-IAGOWNOFSA-N 0 0 470.590 3.184 20 0 JGADRN C[C@@H](c1nccs1)N1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC(F)F)CC1 ZINC001303627971 1068158282 /nfs/dbraw/zinc/15/82/82/1068158282.db2.gz DZYMVGPGDHQLAB-AWEZNQCLSA-N 0 0 495.987 3.320 20 0 JGADRN C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1C ZINC001305088799 1068158317 /nfs/dbraw/zinc/15/83/17/1068158317.db2.gz CVEVLVKRBSBJLS-QJMRKGMQSA-N 0 0 474.650 3.353 20 0 JGADRN C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCn2cccn2)C[C@@H]1C ZINC001305088995 1068158346 /nfs/dbraw/zinc/15/83/46/1068158346.db2.gz ALNRWKFLIGSDIS-AABGKKOBSA-N 0 0 473.622 3.356 20 0 JGADRN C[C@@H](c1ccsc1)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)C)CC1 ZINC001303628053 1068158366 /nfs/dbraw/zinc/15/83/66/1068158366.db2.gz GELQWFNCCPQURS-AWEZNQCLSA-N 0 0 492.447 3.069 20 0 JGADRN C[C@H](c1cccs1)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001303628890 1068159317 /nfs/dbraw/zinc/15/93/17/1068159317.db2.gz JMSQMYYKBIZHKD-GOSISDBHSA-N 0 0 496.637 3.175 20 0 JGADRN C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCN2CCOC2=O)C1 ZINC001305090393 1068159354 /nfs/dbraw/zinc/15/93/54/1068159354.db2.gz HKYMANPBIIZVNK-QGZVFWFLSA-N 0 0 462.595 3.081 20 0 JGADRN C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(NC(N)=O)cc2)[C@H]1C ZINC001305092182 1068160144 /nfs/dbraw/zinc/16/01/44/1068160144.db2.gz JIRALNGTHAVGKA-FUHIMQAGSA-N 0 0 499.616 3.360 20 0 JGADRN C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)Cc2cccc(F)c2)C[C@H]1C ZINC001305091608 1068160197 /nfs/dbraw/zinc/16/01/97/1068160197.db2.gz ICVVIMKREPVMQR-RTBURBONSA-N 0 0 450.562 3.244 20 0 JGADRN C[C@H](c1ccsc1)N1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303629685 1068160534 /nfs/dbraw/zinc/16/05/34/1068160534.db2.gz NJGDRZMGUHNZSZ-SJORKVTESA-N 0 0 472.581 3.221 20 0 JGADRN C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001305091858 1068160604 /nfs/dbraw/zinc/16/06/04/1068160604.db2.gz GKSLLLZTRKBFDV-CEXWTWQISA-N 0 0 460.623 3.282 20 0 JGADRN C[C@@H](c1nccs1)N1CCN(c2nnc(C(C)(C)C)n2CCC(=O)N2CCCCC2)CC1 ZINC001303630199 1068161114 /nfs/dbraw/zinc/16/11/14/1068161114.db2.gz PSRACDKWHMFJAC-SFHVURJKSA-N 0 0 459.664 3.318 20 0 JGADRN C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@H]1C ZINC001305092886 1068161292 /nfs/dbraw/zinc/16/12/92/1068161292.db2.gz LFIMRMYTOLMYKL-LHUKNYEISA-N 0 0 486.560 3.113 20 0 JGADRN C[C@H](c1nccs1)N1CCN(c2nnc(-c3cnccn3)n2CCCC(F)(F)F)CC1 ZINC001303631057 1068162064 /nfs/dbraw/zinc/16/20/64/1068162064.db2.gz VJWTYRKRGIOMHH-CQSZACIVSA-N 0 0 452.510 3.417 20 0 JGADRN C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(CS(C)(=O)=O)CC2)[C@@H]1C ZINC001305095319 1068162289 /nfs/dbraw/zinc/16/22/89/1068162289.db2.gz SDFRALVOVIQEPU-QZTJIDSGSA-N 0 0 495.690 3.452 20 0 JGADRN C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccncc2)[C@@H]1C ZINC001305095378 1068162326 /nfs/dbraw/zinc/16/23/26/1068162326.db2.gz QEXZCRAJMARADO-GGPKGHCWSA-N 0 0 456.591 3.459 20 0 JGADRN 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CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305637587 1068949848 /nfs/dbraw/zinc/94/98/48/1068949848.db2.gz SNQTZJLWMLFVEC-QGZVFWFLSA-N 0 0 471.606 3.010 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001305637764 1068949874 /nfs/dbraw/zinc/94/98/74/1068949874.db2.gz UXXGQLMAOURWKB-LJQANCHMSA-N 0 0 464.618 3.375 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1COc2ccccc2O1 ZINC001305637817 1068950280 /nfs/dbraw/zinc/95/02/80/1068950280.db2.gz VQAHQXBFXHBUDR-HKUYNNGSSA-N 0 0 464.570 3.230 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1COc2ccccc2O1 ZINC001305637819 1068950296 /nfs/dbraw/zinc/95/02/96/1068950296.db2.gz VQAHQXBFXHBUDR-MJGOQNOKSA-N 0 0 464.570 3.230 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305637999 1068950768 /nfs/dbraw/zinc/95/07/68/1068950768.db2.gz ATJRGUBPFFANPC-FPOVZHCZSA-N 0 0 499.660 3.404 20 0 JGADRN 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HPCKCHKJQMSATG-OAQYLSRUSA-N 0 0 455.603 3.323 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCCS(C)(=O)=O)cc1 ZINC001492226697 1065329916 /nfs/dbraw/zinc/32/99/16/1065329916.db2.gz FNCHJXKOKIBZAH-WOJBJXKFSA-N 0 0 464.632 3.334 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCc3cccc(C)n3)CC2)cc1 ZINC001492227441 1065330022 /nfs/dbraw/zinc/33/00/22/1065330022.db2.gz LMEJOLUXOAGZCU-UHFFFAOYSA-N 0 0 461.614 3.388 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCS(=O)(=O)C(C)(C)C)CC2)cc1 ZINC001492231033 1065331695 /nfs/dbraw/zinc/33/16/95/1065331695.db2.gz PWKLVKLRFXOCGF-UHFFFAOYSA-N 0 0 456.616 3.122 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)c3cccs3)n2CCS(C)(=O)=O)cc1C ZINC001492232470 1065332825 /nfs/dbraw/zinc/33/28/25/1065332825.db2.gz CJIFXPLOBZGXFI-INIZCTEOSA-N 0 0 461.613 3.451 20 0 JGADRN Cc1noc(C)c1[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CC(N)=O ZINC001492232680 1065332845 /nfs/dbraw/zinc/33/28/45/1065332845.db2.gz JEFNMKKZTAJCHF-HZPDHXFCSA-N 0 0 467.574 3.256 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Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCOC3)n2C[C@H](c2ccco2)N(C)C)cc1C ZINC001492234423 1065335005 /nfs/dbraw/zinc/33/50/05/1065335005.db2.gz DDVZYNWFBKXRPJ-WOJBJXKFSA-N 0 0 452.559 3.268 20 0 JGADRN Cc1noc(C)c1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001492235509 1065335444 /nfs/dbraw/zinc/33/54/44/1065335444.db2.gz OJYNYGZMPJYQLI-UHFFFAOYSA-N 0 0 462.558 3.479 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2CCC[C@H]2CCCCO2)cc1C ZINC001492235714 1065336121 /nfs/dbraw/zinc/33/61/21/1065336121.db2.gz SQQLEAUHGGUTRF-OAQYLSRUSA-N 0 0 470.618 3.457 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)C3CCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492235824 1065336149 /nfs/dbraw/zinc/33/61/49/1065336149.db2.gz WMQJBRRDOQRAOI-IBGZPJMESA-N 0 0 480.535 3.399 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2CC(C)(C)c2ccccn2)cc1C ZINC001492235706 1065336249 /nfs/dbraw/zinc/33/62/49/1065336249.db2.gz SGYAJTGHCDXKSU-UHFFFAOYSA-N 0 0 477.613 3.481 20 0 JGADRN 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Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](c4ccco4)C3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492250145 1065349764 /nfs/dbraw/zinc/34/97/64/1065349764.db2.gz JBKVDKPAADTUTE-MRXNPFEDSA-N 0 0 490.486 3.413 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)C3)n2CCCOC[C@@H]2CCOC2)cc1C ZINC001492251183 1065351927 /nfs/dbraw/zinc/35/19/27/1065351927.db2.gz XFLIVTZHAPKGDA-SFHVURJKSA-N 0 0 463.529 3.436 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C)C3)n2C[C@@H](C)CN2CCOCC2)cc1C ZINC001492253340 1065353300 /nfs/dbraw/zinc/35/33/00/1065353300.db2.gz DVNNSGKFPZEUGD-MOPGFXCFSA-N 0 0 454.619 3.352 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC2(O)CCCC2)cc1C ZINC001492254419 1065353742 /nfs/dbraw/zinc/35/37/42/1065353742.db2.gz KNTCNVXKVAYVBH-UHFFFAOYSA-N 0 0 481.519 3.346 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1C ZINC001492254721 1065354372 /nfs/dbraw/zinc/35/43/72/1065354372.db2.gz MYXPFOFBBYSUQD-SJORKVTESA-N 0 0 481.569 3.063 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC001492254718 1065354458 /nfs/dbraw/zinc/35/44/58/1065354458.db2.gz MYXPFOFBBYSUQD-IRXDYDNUSA-N 0 0 481.569 3.063 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2CC(C)(C)C2)cc1C ZINC001492254723 1065354480 /nfs/dbraw/zinc/35/44/80/1065354480.db2.gz NBAKAYXGZHJCHV-LJQANCHMSA-N 0 0 459.616 3.207 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@]2(C)COCCO2)cc1C ZINC001492254971 1065355521 /nfs/dbraw/zinc/35/55/21/1065355521.db2.gz QIPCEKDNSMQJPI-OFVILXPXSA-N 0 0 471.602 3.204 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCCS2)cc1C ZINC001492265245 1065356959 /nfs/dbraw/zinc/35/69/59/1065356959.db2.gz GCCZKNDYNKIDRA-MOPGFXCFSA-N 0 0 477.656 3.056 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H](C)N2CCOCC2)cc1 ZINC001492289104 1065357378 /nfs/dbraw/zinc/35/73/78/1065357378.db2.gz SOPZMFVGBIYYPD-HXUWFJFHSA-N 0 0 454.619 3.115 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(c4ccccn4)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492265918 1065359521 /nfs/dbraw/zinc/35/95/21/1065359521.db2.gz HNAOTCPAJGIJFK-AREMUKBSSA-N 0 0 477.613 3.276 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@H]2CCC[C@H]2C)cc1C ZINC001492266128 1065361012 /nfs/dbraw/zinc/36/10/12/1065361012.db2.gz OKXHYKMXKRKYRH-UYAOXDASSA-N 0 0 488.658 3.055 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CC2(C)C)cc1C ZINC001492266478 1065361741 /nfs/dbraw/zinc/36/17/41/1065361741.db2.gz NCDOTBTVRXDYIA-IBGZPJMESA-N 0 0 452.603 3.498 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@H]2C[C@@H]2C)cc1C ZINC001492267224 1065363105 /nfs/dbraw/zinc/36/31/05/1065363105.db2.gz PXFGRIMFBBYBBB-OALUTQOASA-N 0 0 467.618 3.433 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCCCO2)cc1C ZINC001492267099 1065363121 /nfs/dbraw/zinc/36/31/21/1065363121.db2.gz UPXWDBGIVAUEET-QFIPXVFZSA-N 0 0 482.629 3.411 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(Cc4ccsc4)CC3)n2CC(C)(C)O)cc1C ZINC001492269264 1065364702 /nfs/dbraw/zinc/36/47/02/1065364702.db2.gz XIAYHEZAPKHXTM-UHFFFAOYSA-N 0 0 468.627 3.302 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]3c3nncn3C)n2C[C@](C)(O)C(C)C)cc1C ZINC001492268930 1065364846 /nfs/dbraw/zinc/36/48/46/1065364846.db2.gz ZYHZONZZPYJDLQ-CYFREDJKSA-N 0 0 466.590 3.024 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CCC(C)C)cc1C ZINC001492273090 1065366126 /nfs/dbraw/zinc/36/61/26/1065366126.db2.gz BQKJGBOHTCEKOA-NRFANRHFSA-N 0 0 451.575 3.295 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CCC(C)C)cc1C ZINC001492273091 1065366202 /nfs/dbraw/zinc/36/62/02/1065366202.db2.gz BQKJGBOHTCEKOA-OAQYLSRUSA-N 0 0 451.575 3.295 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCNC(=O)C2CCC2)cc1C ZINC001492273087 1065366209 /nfs/dbraw/zinc/36/62/09/1065366209.db2.gz BPYNJCXDRTWMDO-JOCHJYFZSA-N 0 0 482.629 3.315 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC(=O)N2CCCCC2)cc1C ZINC001492273637 1065366603 /nfs/dbraw/zinc/36/66/03/1065366603.db2.gz IIXOGSRQVZGNEI-JOCHJYFZSA-N 0 0 482.629 3.411 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCCO[C@H]2C(C)C)cc1C ZINC001492274211 1065368388 /nfs/dbraw/zinc/36/83/88/1065368388.db2.gz XBGUXZGICWWGGY-FPOVZHCZSA-N 0 0 473.643 3.167 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CCCOC(C)C)cc1C ZINC001492274254 1065369143 /nfs/dbraw/zinc/36/91/43/1065369143.db2.gz YOCDCKMPMNNJKU-QFIPXVFZSA-N 0 0 481.601 3.274 20 0 JGADRN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC3(C)CC3)C2)nc1 ZINC001492275946 1065369711 /nfs/dbraw/zinc/36/97/11/1065369711.db2.gz LTJMKSZFBCAKRN-SFHVURJKSA-N 0 0 453.591 3.165 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(Nc3cnn(CC4CCC4)c3)n2CC(=O)NCC(F)F)cc1C ZINC001492275758 1065369796 /nfs/dbraw/zinc/36/97/96/1065369796.db2.gz KUJAMZGYZCIHGV-UHFFFAOYSA-N 0 0 486.527 3.269 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC(F)(F)Br)cc1C ZINC001492275056 1065369808 /nfs/dbraw/zinc/36/98/08/1065369808.db2.gz HMNRGAOSILGWSO-DOMZBBRYSA-N 0 0 472.334 3.342 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCc3cccc(C(N)=O)c3)C2)nc1 ZINC001492275086 1065369873 /nfs/dbraw/zinc/36/98/73/1065369873.db2.gz HUCCBFYVPPVXFL-OAQYLSRUSA-N 0 0 489.624 3.476 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2C[C@@H]2CC[C@H](CO)O2)cc1C ZINC001492276320 1065370449 /nfs/dbraw/zinc/37/04/49/1065370449.db2.gz ODDAJYSZPZTTJL-QGZVKYPTSA-N 0 0 459.616 3.017 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCSC(C)(C)C3)n2CCNC(=O)C(C)C)cc1C ZINC001492276116 1065370478 /nfs/dbraw/zinc/37/04/78/1065370478.db2.gz NBXABTZEICCEKM-UHFFFAOYSA-N 0 0 458.632 3.251 20 0 JGADRN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)N3CCOCC3)C2)nc1 ZINC001492277183 1065371845 /nfs/dbraw/zinc/37/18/45/1065371845.db2.gz VDPPJVKJIYAXHU-VXKWHMMOSA-N 0 0 497.688 3.491 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCSCC3)n2CCCOC[C@@H]2CCOC2)cc1C ZINC001492277585 1065372490 /nfs/dbraw/zinc/37/24/90/1065372490.db2.gz XUUOMZMNMFENNN-IBGZPJMESA-N 0 0 459.616 3.144 20 0 JGADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1Cc1cccc(Br)n1 ZINC001492280828 1065373761 /nfs/dbraw/zinc/37/37/61/1065373761.db2.gz KNFPOVCVXNFICW-UHFFFAOYSA-N 0 0 470.375 3.351 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc([C@H]4CCOC4)n3CCCOC(F)(F)F)CC2)nc1 ZINC001492280838 1065373821 /nfs/dbraw/zinc/37/38/21/1065373821.db2.gz KSKFXZPOEVPMEF-KRWDZBQOSA-N 0 0 482.507 3.267 20 0 JGADRN Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1Cc1cccnc1OCC(F)F ZINC001492281099 1065373946 /nfs/dbraw/zinc/37/39/46/1065373946.db2.gz OGEMPNTXZZKLEX-KRWDZBQOSA-N 0 0 471.512 3.232 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3CC3(S(C)(=O)=O)CCC3)C2)nc1 ZINC001492281581 1065374476 /nfs/dbraw/zinc/37/44/76/1065374476.db2.gz SSHHEMDRQFKGII-LJQANCHMSA-N 0 0 488.658 3.002 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc([C@@H]4CCCCO4)n3CCSCCCO)CC2)nc1 ZINC001492281585 1065374656 /nfs/dbraw/zinc/37/46/56/1065374656.db2.gz STKZVRSXDJLMAL-FQEVSTJZSA-N 0 0 488.658 3.194 20 0 JGADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC(C)(C)N2CCOCC2)o1 ZINC001492284223 1065377166 /nfs/dbraw/zinc/37/71/66/1065377166.db2.gz RJHLEAWBIOZCPR-UHFFFAOYSA-N 0 0 466.586 3.341 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(Cc4c(F)cccc4F)n3CC(C)(C)O)CC2)nc1 ZINC001492284509 1065377722 /nfs/dbraw/zinc/37/77/22/1065377722.db2.gz XUYRRBWDSKNMFD-UHFFFAOYSA-N 0 0 484.551 3.477 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC2(C)C)cc1 ZINC001492286933 1065379354 /nfs/dbraw/zinc/37/93/54/1065379354.db2.gz JGNVPICOQVJZGI-OALUTQOASA-N 0 0 473.643 3.390 20 0 JGADRN Cc1nnc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CCN1CCOC(C)(C)C1 ZINC001492289245 1065380308 /nfs/dbraw/zinc/38/03/08/1065380308.db2.gz XTELGMWAVHTLEH-NRFANRHFSA-N 0 0 469.634 3.044 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCn2cccn2)cc1 ZINC001492287397 1065380356 /nfs/dbraw/zinc/38/03/56/1065380356.db2.gz DIXFIJUVPNIFPT-LJQANCHMSA-N 0 0 460.542 3.034 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)cc1 ZINC001492288063 1065381833 /nfs/dbraw/zinc/38/18/33/1065381833.db2.gz JYWWAIPAUNKIPA-NRFANRHFSA-N 0 0 473.643 3.361 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2(CS(C)(=O)=O)CC2)cc1 ZINC001492288072 1065381928 /nfs/dbraw/zinc/38/19/28/1065381928.db2.gz KCYZLAKXJLJORF-UHFFFAOYSA-N 0 0 487.651 3.139 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2nccs2)cc1 ZINC001492288127 1065382500 /nfs/dbraw/zinc/38/25/00/1065382500.db2.gz KMZJJJWOGPCTPM-QGZVFWFLSA-N 0 0 467.599 3.044 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001492288338 1065382574 /nfs/dbraw/zinc/38/25/74/1065382574.db2.gz WQMXOKKLPQIFPQ-PGRDOPGGSA-N 0 0 451.575 3.123 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccon3)n2CCNC(=O)c2cccs2)cc1C ZINC001492238590 1065383875 /nfs/dbraw/zinc/38/38/75/1065383875.db2.gz UBOYUIBWZLCVJB-UHFFFAOYSA-N 0 0 479.566 3.263 20 0 JGADRN Cc1noc(C)c1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCSC1 ZINC001492239131 1065384599 /nfs/dbraw/zinc/38/45/99/1065384599.db2.gz YZIGLGBQHQYBGM-HSZRJFAPSA-N 0 0 470.599 3.256 20 0 JGADRN Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2Cc2cc(C)ccc2OC(F)F)o1 ZINC001492303794 1065386810 /nfs/dbraw/zinc/38/68/10/1065386810.db2.gz KEPLIYMBTDWYMM-HNNXBMFYSA-N 0 0 495.552 3.275 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)[C@H](C)C2)c1 ZINC001492303607 1065386855 /nfs/dbraw/zinc/38/68/55/1065386855.db2.gz TZLDGFGOVHUXQR-OWCLPIDISA-N 0 0 454.543 3.231 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N3CCC(CO)CC3)n2Cc2cc(C)ccc2OC(F)F)n1 ZINC001492304494 1065388142 /nfs/dbraw/zinc/38/81/42/1065388142.db2.gz ZCSLKZVNCNMXPB-UHFFFAOYSA-N 0 0 460.529 3.307 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC001492305982 1065388188 /nfs/dbraw/zinc/38/81/88/1065388188.db2.gz PKRHBHQAHYQRDT-VQTJNVASSA-N 0 0 496.637 3.162 20 0 JGADRN Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](C)Oc2ccc(C)cc2)cs1 ZINC001492307737 1065388667 /nfs/dbraw/zinc/38/86/67/1065388667.db2.gz VRFBABKZTHYHMS-IAGOWNOFSA-N 0 0 454.600 3.077 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)c1 ZINC001492307051 1065388806 /nfs/dbraw/zinc/38/88/06/1065388806.db2.gz TYZRIIDEKIDXDO-UHFFFAOYSA-N 0 0 477.537 3.312 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCOC(C)(C)C)CC2)cc1 ZINC001492311516 1065390598 /nfs/dbraw/zinc/39/05/98/1065390598.db2.gz MZIDXTOUCUHBGE-SFHVURJKSA-N 0 0 479.647 3.060 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H]2CCCSC2)cc1C ZINC001492313631 1065391887 /nfs/dbraw/zinc/39/18/87/1065391887.db2.gz WOWLWBVGMHABRX-RBUKOAKNSA-N 0 0 466.673 3.486 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC(=O)N2CCOCC2)cc1 ZINC001492316214 1065392333 /nfs/dbraw/zinc/39/23/33/1065392333.db2.gz HKSNNJHMGAPSKO-LEWJYISDSA-N 0 0 455.603 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2Cc2ccsc2)cc1C ZINC001492316201 1065392363 /nfs/dbraw/zinc/39/23/63/1065392363.db2.gz HGPNDRHUGULCLY-UHFFFAOYSA-N 0 0 489.667 3.444 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CCC4(CC3)OCCO4)n2CCC(=O)NC(C)C)cc1 ZINC001492317105 1065392855 /nfs/dbraw/zinc/39/28/55/1065392855.db2.gz LHFYUIHVAGFVST-UHFFFAOYSA-N 0 0 471.602 3.202 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)cc1C ZINC001492317200 1065393028 /nfs/dbraw/zinc/39/30/28/1065393028.db2.gz LMPOJZDMOOADPV-SFHVURJKSA-N 0 0 476.002 3.194 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001492317824 1065393567 /nfs/dbraw/zinc/39/35/67/1065393567.db2.gz QQGBMVVKIIYOBI-LJQANCHMSA-N 0 0 453.509 3.417 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccs2)cc1C ZINC001492318021 1065393939 /nfs/dbraw/zinc/39/39/39/1065393939.db2.gz SFPMFUOXWRESQJ-JPYJTQIMSA-N 0 0 490.651 3.066 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCCCO2)cc1C ZINC001492317885 1065394077 /nfs/dbraw/zinc/39/40/77/1065394077.db2.gz RCQBZWPVFCUTMZ-WOJBJXKFSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492320604 1065394593 /nfs/dbraw/zinc/39/45/93/1065394593.db2.gz OHEWGWNXTLEIIK-UHFFFAOYSA-N 0 0 453.387 3.151 20 0 JGADRN Cc1noc(CCCn2c(COc3ccc(C)cc3)nnc2N(C)Cc2cnn(C)c2C)n1 ZINC001492320568 1065394741 /nfs/dbraw/zinc/39/47/41/1065394741.db2.gz NBYBKDXQOYJVHR-UHFFFAOYSA-N 0 0 450.547 3.168 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NCc1ccco1 ZINC001492320764 1065395324 /nfs/dbraw/zinc/39/53/24/1065395324.db2.gz RJAOEROGQXQDAK-UHFFFAOYSA-N 0 0 491.596 3.370 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001492322908 1065396033 /nfs/dbraw/zinc/39/60/33/1065396033.db2.gz DBKDDCPSIPRAJA-IBGZPJMESA-N 0 0 454.600 3.482 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001492323494 1065396565 /nfs/dbraw/zinc/39/65/65/1065396565.db2.gz RFVGGWCHXQNDIM-IBGZPJMESA-N 0 0 455.584 3.022 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ccc(Br)s3)n2Cc2nnn(C)n2)cc1 ZINC001492324004 1065396799 /nfs/dbraw/zinc/39/67/99/1065396799.db2.gz ZWBLWJXBSMMGDQ-UHFFFAOYSA-N 0 0 489.403 3.198 20 0 JGADRN Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001492323517 1065396873 /nfs/dbraw/zinc/39/68/73/1065396873.db2.gz RUYBZWJETHVTAH-LEWJYISDSA-N 0 0 455.559 3.255 20 0 JGADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)s1 ZINC001492325731 1065398222 /nfs/dbraw/zinc/39/82/22/1065398222.db2.gz QVZXLCJDTNUSAF-SFHVURJKSA-N 0 0 475.640 3.392 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(N2CCN(CC)C2=O)CC1 ZINC001545691851 1065399175 /nfs/dbraw/zinc/39/91/75/1065399175.db2.gz JORKOTPSBBKGSG-GOSISDBHSA-N 0 0 485.608 3.115 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCn3cccn3)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001492329222 1065399911 /nfs/dbraw/zinc/39/99/11/1065399911.db2.gz HTXCUKVXAYEMLX-YTTGMZPUSA-N 0 0 458.632 3.354 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCn3cccn3)n2CC[S@@](=O)C(C)(C)C)cc1C ZINC001492329219 1065399983 /nfs/dbraw/zinc/39/99/83/1065399983.db2.gz HTXCUKVXAYEMLX-JGCGQSQUSA-N 0 0 458.632 3.354 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2CCN2CCOC[C@@H]2C)cc1C ZINC001492331009 1065400812 /nfs/dbraw/zinc/40/08/12/1065400812.db2.gz VIENXDHKKPQRAG-FQEVSTJZSA-N 0 0 470.643 3.330 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492330828 1065400845 /nfs/dbraw/zinc/40/08/45/1065400845.db2.gz TVNWAEIAONLSNI-TVZXLZGTSA-N 0 0 473.662 3.426 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCC3CCOCC3)n2CCN2CCOC[C@@H]2C)cc1 ZINC001492330703 1065400893 /nfs/dbraw/zinc/40/08/93/1065400893.db2.gz SJYXEKDLOZIWAJ-NRFANRHFSA-N 0 0 457.619 3.139 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492330832 1065401067 /nfs/dbraw/zinc/40/10/67/1065401067.db2.gz TVNWAEIAONLSNI-VRUMLPLGSA-N 0 0 473.662 3.426 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2Cc2cn(C3COC3)nn2)cc1C ZINC001492329786 1065401083 /nfs/dbraw/zinc/40/10/83/1065401083.db2.gz NWEHPNCQFWJTML-UHFFFAOYSA-N 0 0 465.480 3.074 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@]2(O)CCC[C@H]2C)cc1 ZINC001492331057 1065401482 /nfs/dbraw/zinc/40/14/82/1065401482.db2.gz VTEPSBQUJWCYTL-RLWLMLJZSA-N 0 0 471.646 3.264 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCn3cccn3)n2CCN(C)C(=O)OC(C)(C)C)cc1 ZINC001492331386 1065401540 /nfs/dbraw/zinc/40/15/40/1065401540.db2.gz XLPFQHOBIVJKES-UHFFFAOYSA-N 0 0 469.590 3.365 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCCS(C)(=O)=O)n2Cc2cn3ccc(C)cc3n2)cc1 ZINC001492331556 1065401588 /nfs/dbraw/zinc/40/15/88/1065401588.db2.gz ZJGBMNFCMQXPHH-UHFFFAOYSA-N 0 0 482.610 3.041 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)[C@H](N4CCOCC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001492336571 1065403431 /nfs/dbraw/zinc/40/34/31/1065403431.db2.gz BLYDYQAWTPLKIV-UYAOXDASSA-N 0 0 483.535 3.249 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@](C)(O)c2cccs2)cc1C ZINC001492336515 1065403559 /nfs/dbraw/zinc/40/35/59/1065403559.db2.gz GICPGZBGMQSJKQ-KOSHJBKYSA-N 0 0 469.611 3.110 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](C)N2CCOCC2)cc1C ZINC001492337197 1065404387 /nfs/dbraw/zinc/40/43/87/1065404387.db2.gz GTJGRBDUQHPIHZ-SFTDATJTSA-N 0 0 457.619 3.198 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@]4(CCOC4)OC(C)(C)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492338182 1065406090 /nfs/dbraw/zinc/40/60/90/1065406090.db2.gz KJWPGLMWIXAAKO-LOSJGSFVSA-N 0 0 458.603 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCc2ccn(C)n2)cc1 ZINC001492338149 1065406125 /nfs/dbraw/zinc/40/61/25/1065406125.db2.gz KEMHDEKCTFIJFD-APWZRJJASA-N 0 0 464.492 3.298 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CCn2cc(Cl)cn2)cc1 ZINC001492338872 1065406879 /nfs/dbraw/zinc/40/68/79/1065406879.db2.gz RWIDQEKEZUEXAY-BGYRXZFFSA-N 0 0 488.036 3.261 20 0 JGADRN Cc1ccc(OCc2nnc(N(CC(C)C)C(C)C)n2CC2(O)CCS(=O)(=O)CC2)cc1C ZINC001492339066 1065406975 /nfs/dbraw/zinc/40/69/75/1065406975.db2.gz UILCHGHWPBXRJY-UHFFFAOYSA-N 0 0 478.659 3.284 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC2(c3ccccn3)CCC2)cc1 ZINC001492339771 1065407617 /nfs/dbraw/zinc/40/76/17/1065407617.db2.gz VQWBPJXQBVSOBC-UHFFFAOYSA-N 0 0 469.611 3.163 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@H](C)Oc2ccc(C)cc2)o1 ZINC001492293180 1065408846 /nfs/dbraw/zinc/40/88/46/1065408846.db2.gz AVCNVTPNQXPKQB-IBGZPJMESA-N 0 0 487.626 3.388 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOC(C)(C)C2)cc1 ZINC001492294658 1065409742 /nfs/dbraw/zinc/40/97/42/1065409742.db2.gz JTTQXUDYAFOTSG-HXUWFJFHSA-N 0 0 465.602 3.058 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCOCC3)C2)cc1 ZINC001492294539 1065409806 /nfs/dbraw/zinc/40/98/06/1065409806.db2.gz IYKKRQSEXXHUNX-WOJBJXKFSA-N 0 0 491.658 3.061 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001492295313 1065410280 /nfs/dbraw/zinc/41/02/80/1065410280.db2.gz NDUDWKKOPITDPQ-CIRFHOKZSA-N 0 0 467.492 3.161 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cc1 ZINC001492294988 1065410324 /nfs/dbraw/zinc/41/03/24/1065410324.db2.gz LKSQITCUPFUKBK-FPOVZHCZSA-N 0 0 465.602 3.196 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001492295528 1065410386 /nfs/dbraw/zinc/41/03/86/1065410386.db2.gz OHPNOPPGUHAGNH-CEXWTWQISA-N 0 0 457.600 3.374 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)CC2)cc1 ZINC001492295010 1065410418 /nfs/dbraw/zinc/41/04/18/1065410418.db2.gz LQGYKHNWHCDHRT-HNNXBMFYSA-N 0 0 473.375 3.138 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC001492296141 1065411195 /nfs/dbraw/zinc/41/11/95/1065411195.db2.gz RZAUBTXZZZHIMK-FQEVSTJZSA-N 0 0 498.653 3.285 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC2COC(C)(C)OC2)cc1 ZINC001492295910 1065411493 /nfs/dbraw/zinc/41/14/93/1065411493.db2.gz PZZMJMTYOGUKFA-SFHVURJKSA-N 0 0 452.559 3.346 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3C[C@]2(C)CCC3)cc1 ZINC001492297934 1065412194 /nfs/dbraw/zinc/41/21/94/1065412194.db2.gz ZEOLSINQQXWIQT-XWQURZDVSA-N 0 0 461.632 3.433 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCOCCS(C)(=O)=O)cc1 ZINC001492353573 1065415681 /nfs/dbraw/zinc/41/56/81/1065415681.db2.gz FAAVPXFSGSKDKL-UHFFFAOYSA-N 0 0 489.425 3.126 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCO[C@H]2CCCC[C@@H]2C)cc1 ZINC001492353437 1065415696 /nfs/dbraw/zinc/41/56/96/1065415696.db2.gz ZFPIHAYIWHYPAS-OWHZGTRUSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCCNC(=O)OC(C)(C)C)cc1C ZINC001492353263 1065415708 /nfs/dbraw/zinc/41/57/08/1065415708.db2.gz VOQTZSQIWWFBRN-RUZDIDTESA-N 0 0 486.617 3.090 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCC(=O)NC2CCCCC2)cc1 ZINC001492353550 1065415752 /nfs/dbraw/zinc/41/57/52/1065415752.db2.gz DDXALLAHYVWMIK-UHFFFAOYSA-N 0 0 455.603 3.213 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCO[C@H]2CCCC[C@H]2C)cc1 ZINC001492353438 1065415759 /nfs/dbraw/zinc/41/57/59/1065415759.db2.gz ZFPIHAYIWHYPAS-QVNIBDNGSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H]2CSCCS2)cc1C ZINC001492353885 1065417227 /nfs/dbraw/zinc/41/72/27/1065417227.db2.gz OXKZHAYKRREUKV-FQEVSTJZSA-N 0 0 475.684 3.414 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCSC2)cc1 ZINC001492358442 1065418878 /nfs/dbraw/zinc/41/88/78/1065418878.db2.gz AQEFQYISQDBYSM-HOYKHHGWSA-N 0 0 489.642 3.137 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)cc1C ZINC001492358658 1065419930 /nfs/dbraw/zinc/41/99/30/1065419930.db2.gz BZRROKTUGIERPV-FQEVSTJZSA-N 0 0 496.616 3.259 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(Nc4cccnn4)CC3)n2CCCC(=O)N(C)C)cc1C ZINC001492359267 1065420506 /nfs/dbraw/zinc/42/05/06/1065420506.db2.gz IVKDOTCDRGHXSB-UHFFFAOYSA-N 0 0 492.628 3.213 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2Cc2ccc(C(N)=O)nc2)cc1C ZINC001492359262 1065420591 /nfs/dbraw/zinc/42/05/91/1065420591.db2.gz IPDQJSIXLVQOHC-UHFFFAOYSA-N 0 0 456.497 3.252 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC2CC2)cc1C ZINC001492358847 1065420630 /nfs/dbraw/zinc/42/06/30/1065420630.db2.gz DRHIZVATYCPYSA-HXUWFJFHSA-N 0 0 498.628 3.104 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CCSC(C)C)cc1 ZINC001492359939 1065421500 /nfs/dbraw/zinc/42/15/00/1065421500.db2.gz OEAXXZMUSUNIIP-UHFFFAOYSA-N 0 0 481.688 3.167 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2Cc2ccc(C)n(C)c2=O)cc1 ZINC001492360603 1065422258 /nfs/dbraw/zinc/42/22/58/1065422258.db2.gz XUDFCQBUURBQNZ-UHFFFAOYSA-N 0 0 491.514 3.115 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2CCCSC2)cc1C ZINC001492362589 1065424243 /nfs/dbraw/zinc/42/42/43/1065424243.db2.gz DEHIMLGYJMEJAS-AZUAARDMSA-N 0 0 464.657 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCSC(F)(F)F)cc1C ZINC001492363388 1065424284 /nfs/dbraw/zinc/42/42/84/1065424284.db2.gz JDQNXPSWMRAYPG-FQEVSTJZSA-N 0 0 469.533 3.443 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492363653 1065424973 /nfs/dbraw/zinc/42/49/73/1065424973.db2.gz LLEVUDOZPKAPMC-ACDBMABISA-N 0 0 476.643 3.383 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492363656 1065425017 /nfs/dbraw/zinc/42/50/17/1065425017.db2.gz LLEVUDOZPKAPMC-RTBURBONSA-N 0 0 476.643 3.383 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC4CCCC4)CC3)n2CCS(C)(=O)=O)cc1C ZINC001492364036 1065426561 /nfs/dbraw/zinc/42/65/61/1065426561.db2.gz RLVZLRMZLKXMPD-UHFFFAOYSA-N 0 0 476.643 3.447 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@]4(C3)CCCOC4)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001492364775 1065427177 /nfs/dbraw/zinc/42/71/77/1065427177.db2.gz ZVCWUEGEZCQXKX-XMMPIXPASA-N 0 0 476.643 3.386 20 0 JGADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC(OCC(N)=O)CC2)s1 ZINC001492364277 1065427202 /nfs/dbraw/zinc/42/72/02/1065427202.db2.gz VQAIZQCUZKXLIO-QGZVFWFLSA-N 0 0 484.626 3.205 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CSCCS2)cc1C ZINC001492368235 1065428107 /nfs/dbraw/zinc/42/81/07/1065428107.db2.gz DURAUQVGWKUGDX-HKUYNNGSSA-N 0 0 461.657 3.024 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001492368847 1065428711 /nfs/dbraw/zinc/42/87/11/1065428711.db2.gz HYHFTJVCKINMQA-TYFQNXAESA-N 0 0 487.670 3.208 20 0 JGADRN Cc1c(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)cnn1CC(C)C ZINC001492369005 1065428737 /nfs/dbraw/zinc/42/87/37/1065428737.db2.gz JNQHVTNXRAOQNB-NRFANRHFSA-N 0 0 479.629 3.385 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC001492368749 1065428807 /nfs/dbraw/zinc/42/88/07/1065428807.db2.gz GSNPOIDMHVAHCG-HXUWFJFHSA-N 0 0 475.659 3.382 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2CC2(C(N)=O)CCOCC2)cc1C ZINC001492368800 1065428831 /nfs/dbraw/zinc/42/88/31/1065428831.db2.gz HIQWICAKRFBBPV-UHFFFAOYSA-N 0 0 455.603 3.382 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492369619 1065429670 /nfs/dbraw/zinc/42/96/70/1065429670.db2.gz PDDGWKNPPFYGRY-DFBJGRDBSA-N 0 0 455.603 3.068 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@]2(O)CCSC2)cc1C ZINC001492369800 1065430211 /nfs/dbraw/zinc/43/02/11/1065430211.db2.gz CAQHQXFOVRYTDA-CJFMBICVSA-N 0 0 487.670 3.083 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCC(=O)N2CCOCC2)cc1 ZINC001492369794 1065430370 /nfs/dbraw/zinc/43/03/70/1065430370.db2.gz BXZVFJQXWSWFQV-QFIPXVFZSA-N 0 0 485.629 3.198 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H]2COCCO2)cc1 ZINC001492370094 1065431198 /nfs/dbraw/zinc/43/11/98/1065431198.db2.gz FZZXPUFNHGMLRL-OALUTQOASA-N 0 0 470.492 3.129 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H]2COCCO2)cc1 ZINC001492370091 1065431204 /nfs/dbraw/zinc/43/12/04/1065431204.db2.gz FZZXPUFNHGMLRL-MOPGFXCFSA-N 0 0 470.492 3.129 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CC(=O)NCC(F)F)cc1C ZINC001492370041 1065431222 /nfs/dbraw/zinc/43/12/22/1065431222.db2.gz QZNKMUBZAWSAHJ-UHFFFAOYSA-N 0 0 484.345 3.344 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001492370276 1065431856 /nfs/dbraw/zinc/43/18/56/1065431856.db2.gz HALIYFXMJDVNAX-BCHFMIIMSA-N 0 0 498.628 3.137 20 0 JGADRN Cc1csc([C@@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CC(=O)N(C)C)C2)n1 ZINC001492370595 1065433568 /nfs/dbraw/zinc/43/35/68/1065433568.db2.gz KBIYHUOWHPUAQI-GOSISDBHSA-N 0 0 454.600 3.403 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2CCC(=O)N2CCOCC2)cc1C ZINC001492370851 1065433576 /nfs/dbraw/zinc/43/35/76/1065433576.db2.gz VIANUIWPXMDBBO-UHFFFAOYSA-N 0 0 455.603 3.349 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[C@H]2CCCCO2)cc1 ZINC001492370896 1065434375 /nfs/dbraw/zinc/43/43/75/1065434375.db2.gz MNVSGXKMSSYTJT-TZIWHRDSSA-N 0 0 462.616 3.138 20 0 JGADRN Cc1ccoc1Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001492371378 1065435198 /nfs/dbraw/zinc/43/51/98/1065435198.db2.gz PWODNKCXCZPCBO-HXUWFJFHSA-N 0 0 487.626 3.223 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCN2CCOC[C@@H]2C)cc1 ZINC001492371361 1065435213 /nfs/dbraw/zinc/43/52/13/1065435213.db2.gz PQQCNTZCLGIKIK-FCHUYYIVSA-N 0 0 498.672 3.017 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001492371441 1065435940 /nfs/dbraw/zinc/43/59/40/1065435940.db2.gz RDOLQACRERHBPS-JXALWOEJSA-N 0 0 455.603 3.318 20 0 JGADRN Cc1nc(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)sc1C ZINC001492372345 1065437334 /nfs/dbraw/zinc/43/73/34/1065437334.db2.gz YMGUVHBBEPZYII-FQEVSTJZSA-N 0 0 489.667 3.495 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC(=O)NC2CCCCC2)cc1 ZINC001492372421 1065438035 /nfs/dbraw/zinc/43/80/35/1065438035.db2.gz ZRINPLRLCRCHFU-JOCHJYFZSA-N 0 0 496.656 3.355 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@]2(O)CCSC2)cc1 ZINC001492372434 1065438131 /nfs/dbraw/zinc/43/81/31/1065438131.db2.gz ZVSSPEQNTZAISX-CJFMBICVSA-N 0 0 487.670 3.022 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(c4nccs4)CC3)n2CCNC(=O)C(C)C)cc1C ZINC001492376744 1065438849 /nfs/dbraw/zinc/43/88/49/1065438849.db2.gz DOIGZPHXVMMSBF-UHFFFAOYSA-N 0 0 497.669 3.419 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@](C)(O)c2ccco2)cc1 ZINC001492376610 1065438890 /nfs/dbraw/zinc/43/88/90/1065438890.db2.gz BUSWEEMPGUNMJU-AREMUKBSSA-N 0 0 481.597 3.361 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC001492391196 1065438945 /nfs/dbraw/zinc/43/89/45/1065438945.db2.gz PJCPXALEYICNPC-UHFFFAOYSA-N 0 0 464.570 3.112 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(F)(F)Br)cc1C ZINC001492376978 1065439732 /nfs/dbraw/zinc/43/97/32/1065439732.db2.gz IIVCSYPKUPRATH-AWEZNQCLSA-N 0 0 472.334 3.163 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC001492377178 1065440717 /nfs/dbraw/zinc/44/07/17/1065440717.db2.gz LUQSHLUZTPAOHK-FQEVSTJZSA-N 0 0 478.597 3.488 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001545691906 1065440797 /nfs/dbraw/zinc/44/07/97/1065440797.db2.gz KISXSGYFVYCOIT-VQIMIIECSA-N 0 0 470.599 3.293 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C)c2nccs2)cc1C ZINC001492377861 1065442388 /nfs/dbraw/zinc/44/23/88/1065442388.db2.gz XHMWFNDHHQTDGE-ROUUACIJSA-N 0 0 454.600 3.436 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1C ZINC001492379033 1065443906 /nfs/dbraw/zinc/44/39/06/1065443906.db2.gz OUXRZPKVIRDUHM-UXHICEINSA-N 0 0 498.596 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)cc1 ZINC001492382751 1065444568 /nfs/dbraw/zinc/44/45/68/1065444568.db2.gz CAWSSXSQXZOWMB-RXFWQSSRSA-N 0 0 484.645 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCCNc2ccccn2)cc1 ZINC001492382930 1065445289 /nfs/dbraw/zinc/44/52/89/1065445289.db2.gz FXLCAAKWFGFEAY-UHFFFAOYSA-N 0 0 477.613 3.367 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001492382963 1065445330 /nfs/dbraw/zinc/44/53/30/1065445330.db2.gz GVSPCJKXNPSJIS-PMACEKPBSA-N 0 0 498.628 3.232 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001492382964 1065445374 /nfs/dbraw/zinc/44/53/74/1065445374.db2.gz GVSPCJKXNPSJIS-UXHICEINSA-N 0 0 498.628 3.232 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC(=O)NCC2CC2)cc1C ZINC001492383153 1065446976 /nfs/dbraw/zinc/44/69/76/1065446976.db2.gz MCVLSPSRLUJJQI-SFHVURJKSA-N 0 0 494.562 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2CC(F)(F)F)cc1 ZINC001492383226 1065446995 /nfs/dbraw/zinc/44/69/95/1065446995.db2.gz OPNXREQZTVVRTI-UHFFFAOYSA-N 0 0 460.460 3.085 20 0 JGADRN Cc1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)no1 ZINC001492383125 1065447058 /nfs/dbraw/zinc/44/70/58/1065447058.db2.gz LPVGBTZYSPMVNS-UHFFFAOYSA-N 0 0 467.574 3.140 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CSCCS2)cc1 ZINC001492383712 1065448754 /nfs/dbraw/zinc/44/87/54/1065448754.db2.gz BBPUKYYFVCZORT-HXUWFJFHSA-N 0 0 475.684 3.319 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@](C)(O)C(C)C)cc1 ZINC001492384298 1065450175 /nfs/dbraw/zinc/45/01/75/1065450175.db2.gz FUKNAECCJGXZEK-CPJSRVTESA-N 0 0 457.619 3.266 20 0 JGADRN Cc1ncc(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)s1 ZINC001492384113 1065450290 /nfs/dbraw/zinc/45/02/90/1065450290.db2.gz DLQTVSUPTHALLE-UHFFFAOYSA-N 0 0 454.600 3.283 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@]2(C)COCCO2)cc1C ZINC001492385338 1065453198 /nfs/dbraw/zinc/45/31/98/1065453198.db2.gz QEOLRCDILLMNJX-CVDCTZTESA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@@]2(C)CCCS2)cc1C ZINC001492390935 1065456556 /nfs/dbraw/zinc/45/65/56/1065456556.db2.gz HETKDPSTYCDRMM-WMZHIEFXSA-N 0 0 493.699 3.230 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492343860 1065458155 /nfs/dbraw/zinc/45/81/55/1065458155.db2.gz HCTBCETWNGSLAU-OPXMRZJTSA-N 0 0 458.603 3.347 20 0 JGADRN Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C)cc3)n1CC(F)(F)Br)C2 ZINC001492390978 1065458892 /nfs/dbraw/zinc/45/88/92/1065458892.db2.gz IOPAGDFHYRANHO-UHFFFAOYSA-N 0 0 468.306 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC2(O)CCOCC2)cc1 ZINC001492345723 1065461180 /nfs/dbraw/zinc/46/11/80/1065461180.db2.gz WQISVOBRHWKQIB-UHFFFAOYSA-N 0 0 452.477 3.406 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CC2(C(C)C)CC2)cc1 ZINC001492391752 1065463544 /nfs/dbraw/zinc/46/35/44/1065463544.db2.gz UYVPHVGDJDCWIN-IBGZPJMESA-N 0 0 461.632 3.072 20 0 JGADRN Cc1csc(Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 ZINC001492348034 1065463597 /nfs/dbraw/zinc/46/35/97/1065463597.db2.gz ZPTYINLUYXRMTR-MRXNPFEDSA-N 0 0 494.543 3.484 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cc1C ZINC001492392298 1065464261 /nfs/dbraw/zinc/46/42/61/1065464261.db2.gz WRDNAWLMNQVHGC-NQIIRXRSSA-N 0 0 498.628 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2Cc2ccc(F)cn2)cc1C ZINC001492392353 1065464358 /nfs/dbraw/zinc/46/43/58/1065464358.db2.gz XLRNAOKQOAREOW-UHFFFAOYSA-N 0 0 460.504 3.443 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC2(C(N)=O)CCOCC2)cc1C ZINC001492394657 1065466969 /nfs/dbraw/zinc/46/69/69/1065466969.db2.gz PSPCDQKMUYCGIL-AREMUKBSSA-N 0 0 499.656 3.397 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001492400294 1065469183 /nfs/dbraw/zinc/46/91/83/1065469183.db2.gz HOUMQRJPROROKK-MGBGTMOVSA-N 0 0 476.643 3.099 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](c4noc(C(C)C)n4)C3)n2CCCC(=O)N(C)C)cc1 ZINC001492401382 1065471066 /nfs/dbraw/zinc/47/10/66/1065471066.db2.gz MPRDQBLSQGJRKK-HXUWFJFHSA-N 0 0 497.600 3.118 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001492402010 1065471713 /nfs/dbraw/zinc/47/17/13/1065471713.db2.gz QSKPMKWMVMYSMI-NRFANRHFSA-N 0 0 466.611 3.286 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2Cc2ncccc2N(C)C)cc1 ZINC001492402476 1065472522 /nfs/dbraw/zinc/47/25/22/1065472522.db2.gz TWHBKBIZDUKGHO-QFIPXVFZSA-N 0 0 480.613 3.305 20 0 JGADRN Cc1cc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCOc2ccc(C)cc2)no1 ZINC001492411478 1065475356 /nfs/dbraw/zinc/47/53/56/1065475356.db2.gz HMRFEUJJRQGLCO-IBGZPJMESA-N 0 0 473.599 3.281 20 0 JGADRN Cc1nc(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCCOc2ccc(C)cc2)cs1 ZINC001492411540 1065475574 /nfs/dbraw/zinc/47/55/74/1065475574.db2.gz IHHFDQQKGSVRBW-GOSISDBHSA-N 0 0 468.627 3.468 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@@H](O)C2)cc1 ZINC001492418114 1065477714 /nfs/dbraw/zinc/47/77/14/1065477714.db2.gz CCVVDJVBFNQLCR-VQTJNVASSA-N 0 0 464.570 3.300 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCOC2)cc1 ZINC001492418143 1065478932 /nfs/dbraw/zinc/47/89/32/1065478932.db2.gz DIOCOWFPZHSXCG-IBGZPJMESA-N 0 0 450.543 3.176 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CC=CCO2)cc1 ZINC001492418801 1065479304 /nfs/dbraw/zinc/47/93/04/1065479304.db2.gz MOWNAWJJJCCESC-RCZVLFRGSA-N 0 0 456.587 3.487 20 0 JGADRN Cc1ccc(OCCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCNC(=O)CC2)cc1 ZINC001492418365 1065479535 /nfs/dbraw/zinc/47/95/35/1065479535.db2.gz HPYMJYHPDWMTIB-BGYRXZFFSA-N 0 0 498.628 3.153 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)cc1 ZINC001492420740 1065481083 /nfs/dbraw/zinc/48/10/83/1065481083.db2.gz IZOQCVSPSBUCKY-GOSISDBHSA-N 0 0 476.002 3.101 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCCC2)cc1 ZINC001492420606 1065481199 /nfs/dbraw/zinc/48/11/99/1065481199.db2.gz GWVIFSSMGBGSKG-FQEVSTJZSA-N 0 0 476.643 3.353 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccs2)cc1 ZINC001492423808 1065482930 /nfs/dbraw/zinc/48/29/30/1065482930.db2.gz BXFFJQBRTLNDSQ-LJQANCHMSA-N 0 0 455.584 3.445 20 0 JGADRN Cc1ccc(OCCn2c(-c3cccnc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492424955 1065483798 /nfs/dbraw/zinc/48/37/98/1065483798.db2.gz OUBYCGNERACKAU-OYRHEFFESA-N 0 0 450.587 3.273 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492424959 1065483835 /nfs/dbraw/zinc/48/38/35/1065483835.db2.gz OWIDYANQBMRPHX-HXUWFJFHSA-N 0 0 489.667 3.036 20 0 JGADRN Cc1ccc(OCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 ZINC001492425909 1065484466 /nfs/dbraw/zinc/48/44/66/1065484466.db2.gz CVYMJAUKYMLNGW-HSZRJFAPSA-N 0 0 451.571 3.282 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001492425974 1065484675 /nfs/dbraw/zinc/48/46/75/1065484675.db2.gz FAHMRKKYFRJREH-FQEVSTJZSA-N 0 0 455.603 3.254 20 0 JGADRN Cc1ccc(OCCn2c(Cc3cccnc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC001492426335 1065485360 /nfs/dbraw/zinc/48/53/60/1065485360.db2.gz GSSFGQUHIUUMLI-JOCHJYFZSA-N 0 0 462.598 3.392 20 0 JGADRN Cc1ccc(OCCn2c(N3CCN(CC(C)C)C(=O)[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001492429380 1065487249 /nfs/dbraw/zinc/48/72/49/1065487249.db2.gz HSBUHPDCQWDRIU-CUNXSJBXSA-N 0 0 499.656 3.399 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccnc3)n2Cc2cccs2)cc1 ZINC001492430370 1065488289 /nfs/dbraw/zinc/48/82/89/1065488289.db2.gz NPYVPZIYQNZNIC-UHFFFAOYSA-N 0 0 468.608 3.173 20 0 JGADRN Cc1nc(Cn2c(C3CCC3)nnc2N(C)CCNS(=O)(=O)c2ccc(C)cc2)sc1C ZINC001492431976 1065488940 /nfs/dbraw/zinc/48/89/40/1065488940.db2.gz VENFFVAAGLQQGH-UHFFFAOYSA-N 0 0 474.656 3.390 20 0 JGADRN Cc1ccc(OCCn2c(CN3CCCC3=O)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001492431879 1065488994 /nfs/dbraw/zinc/48/89/94/1065488994.db2.gz UAHBAMKVBUIXEH-UHFFFAOYSA-N 0 0 498.628 3.281 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCC(F)(F)C2)cc1 ZINC001492432222 1065489684 /nfs/dbraw/zinc/48/96/84/1065489684.db2.gz XHRUTUWXLWBYEH-SFHVURJKSA-N 0 0 492.596 3.442 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCC(F)(F)C2)cc1 ZINC001492432221 1065489785 /nfs/dbraw/zinc/48/97/85/1065489785.db2.gz XHRUTUWXLWBYEH-GOSISDBHSA-N 0 0 492.596 3.442 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(N3CCN(c4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001492436186 1065490517 /nfs/dbraw/zinc/49/05/17/1065490517.db2.gz FWPAGFDVQQTIQF-UHFFFAOYSA-N 0 0 488.683 3.251 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3csc(C)n3)nnc2N2CCC(C)CC2)s1 ZINC001492435878 1065490620 /nfs/dbraw/zinc/49/06/20/1065490620.db2.gz CDDYJEWPITWJHK-UHFFFAOYSA-N 0 0 480.685 3.219 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2ncccc2N(C)C)cc1 ZINC001492436573 1065491075 /nfs/dbraw/zinc/49/10/75/1065491075.db2.gz KEOKZDBUOONUPZ-SFHVURJKSA-N 0 0 488.683 3.257 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCC(C)(C)O)cc1 ZINC001492436966 1065492167 /nfs/dbraw/zinc/49/21/67/1065492167.db2.gz NUYBFGSLPAPAIG-IRXDYDNUSA-N 0 0 454.662 3.298 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3cccnc3)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492437076 1065492197 /nfs/dbraw/zinc/49/21/97/1065492197.db2.gz QKHHAYASLMNYPG-IBGZPJMESA-N 0 0 474.656 3.237 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(N3C[C@H](O)CC4(CCCC4)C3)nnc2C(C)(C)C)s1 ZINC001492437017 1065492229 /nfs/dbraw/zinc/49/22/29/1065492229.db2.gz OXLZUBKOZIJFPM-QGZVFWFLSA-N 0 0 481.688 3.055 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccn3)nnc2N(C)CC2CC(F)(F)C2)s1 ZINC001492436998 1065492249 /nfs/dbraw/zinc/49/22/49/1065492249.db2.gz OJRYVUCWQNRNAS-UHFFFAOYSA-N 0 0 496.609 3.094 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@]2(O)CCSC2)cc1 ZINC001492437577 1065494498 /nfs/dbraw/zinc/49/44/98/1065494498.db2.gz YKXQHUDBKBUINA-CBGDNZLLSA-N 0 0 484.713 3.005 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cccnc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)s1 ZINC001492437962 1065494526 /nfs/dbraw/zinc/49/45/26/1065494526.db2.gz FAVOXCLMTPJHJE-CVEARBPZSA-N 0 0 460.629 3.171 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccco2)s1 ZINC001492439098 1065495920 /nfs/dbraw/zinc/49/59/20/1065495920.db2.gz MEWWRAFWAZLHQS-MRXNPFEDSA-N 0 0 472.596 3.479 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(C3CC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)s1 ZINC001492440078 1065495951 /nfs/dbraw/zinc/49/59/51/1065495951.db2.gz OFXOZQFDJYHDRX-NRFANRHFSA-N 0 0 467.661 3.145 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccco2)s1 ZINC001492438367 1065496066 /nfs/dbraw/zinc/49/60/66/1065496066.db2.gz JDKIVEBCFGTLNL-SJORKVTESA-N 0 0 479.628 3.311 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(C3CCCC3)nnc2N(C)Cc2ncc(Cl)n2C)s1 ZINC001492441611 1065497612 /nfs/dbraw/zinc/49/76/12/1065497612.db2.gz UEKSMAXCZBHFFG-UHFFFAOYSA-N 0 0 498.078 3.307 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@@H]2COCCO2)cc1 ZINC001492447197 1065500855 /nfs/dbraw/zinc/50/08/55/1065500855.db2.gz ZTKSNIDFCOJPJS-OAQYLSRUSA-N 0 0 489.686 3.089 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC2(O)CCOCC2)cc1 ZINC001492448335 1065500905 /nfs/dbraw/zinc/50/09/05/1065500905.db2.gz BFFXVLMACAREAG-UHFFFAOYSA-N 0 0 477.034 3.444 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492448775 1065501591 /nfs/dbraw/zinc/50/15/91/1065501591.db2.gz IAEQXBDJDVTIRL-LMDPOFIKSA-N 0 0 481.663 3.345 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCn3cccn3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001492448774 1065501798 /nfs/dbraw/zinc/50/17/98/1065501798.db2.gz IABKPMQEFOIREB-LJQANCHMSA-N 0 0 474.656 3.037 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCCCO3)n2CCNC(=O)c2ccn[nH]2)cc1 ZINC001492448891 1065501825 /nfs/dbraw/zinc/50/18/25/1065501825.db2.gz LLYHLQHQVKDBKJ-GOSISDBHSA-N 0 0 469.615 3.037 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001492449822 1065503008 /nfs/dbraw/zinc/50/30/08/1065503008.db2.gz YUXVQBPAJAKERY-MOPGFXCFSA-N 0 0 464.657 3.176 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@](C)(O)c2ccco2)cc1 ZINC001492452754 1065503994 /nfs/dbraw/zinc/50/39/94/1065503994.db2.gz JFCKNWRODGEINY-UZUQRXQVSA-N 0 0 455.584 3.046 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@](C)(O)c2ccco2)cc1 ZINC001492452752 1065504085 /nfs/dbraw/zinc/50/40/85/1065504085.db2.gz JFCKNWRODGEINY-HXOBKFHXSA-N 0 0 455.584 3.046 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001492452778 1065504112 /nfs/dbraw/zinc/50/41/12/1065504112.db2.gz JNKKDCGTEASVGW-IAGOWNOFSA-N 0 0 452.584 3.035 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(Cl)nc2)cc1 ZINC001492453002 1065504148 /nfs/dbraw/zinc/50/41/48/1065504148.db2.gz MFIKHBMICBIESR-UHFFFAOYSA-N 0 0 466.032 3.456 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@@]4(CCOC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492453415 1065504177 /nfs/dbraw/zinc/50/41/77/1065504177.db2.gz OEQLYJZDKLAHDG-CLOONOSVSA-N 0 0 487.670 3.425 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@]2(O)CCCC2(C)C)cc1 ZINC001492453660 1065504492 /nfs/dbraw/zinc/50/44/92/1065504492.db2.gz QTSYZMFXKJOFCA-MHECFPHRSA-N 0 0 457.644 3.487 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@]2(O)CCCC2(C)C)cc1 ZINC001492453658 1065504561 /nfs/dbraw/zinc/50/45/61/1065504561.db2.gz QTSYZMFXKJOFCA-HOYKHHGWSA-N 0 0 457.644 3.487 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001492453779 1065504643 /nfs/dbraw/zinc/50/46/43/1065504643.db2.gz RPNFSWNXCFHAOX-AUMHUTNHSA-N 0 0 463.673 3.093 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001492454253 1065505160 /nfs/dbraw/zinc/50/51/60/1065505160.db2.gz WUGSAODLONKOQC-RTBURBONSA-N 0 0 464.657 3.319 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(CCCO)CC3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001492456439 1065506465 /nfs/dbraw/zinc/50/64/65/1065506465.db2.gz 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Cc1ccc(SCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CSCCS2)cc1 ZINC001492464023 1065511303 /nfs/dbraw/zinc/51/13/03/1065511303.db2.gz XPSAGTILIXNTSD-SJLPKXTDSA-N 0 0 463.698 3.429 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC001492465606 1065512057 /nfs/dbraw/zinc/51/20/57/1065512057.db2.gz FFWAZQPEZCVEAZ-ZWKOTPCHSA-N 0 0 496.603 3.430 20 0 JGADRN Cc1cnn(CCn2c(CSc3ccc(C)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)c1 ZINC001492465525 1065512071 /nfs/dbraw/zinc/51/20/71/1065512071.db2.gz CCKGJCVSKBOZQT-UHFFFAOYSA-N 0 0 467.643 3.389 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2Cc2ncn(C)n2)cc1 ZINC001492465639 1065512625 /nfs/dbraw/zinc/51/26/25/1065512625.db2.gz GCMZKTISWCUVEZ-INIZCTEOSA-N 0 0 480.564 3.128 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2Cc2cnn(C)c2)cc1 ZINC001492466164 1065514201 /nfs/dbraw/zinc/51/42/01/1065514201.db2.gz YPCVZMQQHQYLPP-UHFFFAOYSA-N 0 0 482.658 3.291 20 0 JGADRN 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CO[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)c2ccn[nH]2)CC[C@@H]1C ZINC001300806750 1065538997 /nfs/dbraw/zinc/53/89/97/1065538997.db2.gz DYJLNDHGOWTPAX-UGSOOPFHSA-N 0 0 478.384 3.266 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(I)cc2)CC[C@H]1C ZINC001300807473 1065539614 /nfs/dbraw/zinc/53/96/14/1065539614.db2.gz CZNGTMWAPALTLE-RDTXWAMCSA-N 0 0 490.349 3.249 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001300808626 1065540091 /nfs/dbraw/zinc/54/00/91/1065540091.db2.gz GDRLGPSEZZPLEE-PIKOESSRSA-N 0 0 471.606 3.242 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC001300810097 1065541178 /nfs/dbraw/zinc/54/11/78/1065541178.db2.gz LFXOQEHJJXQXMX-QXAKKESOSA-N 0 0 473.622 3.185 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3cccnc3)n2CCNc2nccc(C(F)(F)F)n2)CC[C@H]1C ZINC001300811489 1065541539 /nfs/dbraw/zinc/54/15/39/1065541539.db2.gz UUEZXOROGWARFK-ZBFHGGJFSA-N 0 0 462.480 3.122 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3ccccc3C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC[C@H]1C ZINC001300811243 1065541601 /nfs/dbraw/zinc/54/16/01/1065541601.db2.gz FXFCIOCLXHGZDH-QUCCMNQESA-N 0 0 471.602 3.408 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(=O)N2CCOCC2)CC[C@@H]1C ZINC001300810515 1065541663 /nfs/dbraw/zinc/54/16/63/1065541663.db2.gz NFZHMAMWBPYPNJ-REWPJTCUSA-N 0 0 485.629 3.090 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSC(F)(F)F)CC[C@H]1C ZINC001300812035 1065542163 /nfs/dbraw/zinc/54/21/63/1065542163.db2.gz SVTWIMAOEYTWHZ-CJNGLKHVSA-N 0 0 468.509 3.035 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCCC(=O)N(C)C)CC[C@H]1C ZINC001300813340 1065543568 /nfs/dbraw/zinc/54/35/68/1065543568.db2.gz OJRFOUCLIVPVSD-CRAIPNDOSA-N 0 0 464.408 3.437 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCNC(=O)C(C)C)CC[C@H]1C ZINC001300817989 1065546366 /nfs/dbraw/zinc/54/63/66/1065546366.db2.gz CSGJTDUJQSNBSN-DYESRHJHSA-N 0 0 452.559 3.234 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(F)(F)Br)CC[C@@H]1C ZINC001300819206 1065547394 /nfs/dbraw/zinc/54/73/94/1065547394.db2.gz OQNCTYHZSUAEBL-WFASDCNBSA-N 0 0 497.344 3.041 20 0 JGADRN CO[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1(C)C ZINC001300820206 1065547949 /nfs/dbraw/zinc/54/79/49/1065547949.db2.gz CCNKCPVLEMVKOR-ROUUACIJSA-N 0 0 451.612 3.338 20 0 JGADRN Cc1ccccc1-c1cc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c2cnn(C(C)C)c2n1 ZINC001300821664 1065549607 /nfs/dbraw/zinc/54/96/07/1065549607.db2.gz SMWBSIQNBLJZEQ-QGZVFWFLSA-N 0 0 455.584 3.094 20 0 JGADRN CO[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)SC)CC[C@H]1C ZINC001300822963 1065550175 /nfs/dbraw/zinc/55/01/75/1065550175.db2.gz MBEYXRSFGQFGQI-MJGOQNOKSA-N 0 0 459.664 3.455 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2F)CC[C@@H]1C ZINC001300823040 1065550700 /nfs/dbraw/zinc/55/07/00/1065550700.db2.gz HMWZYELIYAMNGC-XKGZKEIXSA-N 0 0 482.647 3.114 20 0 JGADRN CO[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccc(F)cc2)CC1(C)C ZINC001300823684 1065551151 /nfs/dbraw/zinc/55/11/51/1065551151.db2.gz JLQWSDJTZGPIBR-LPHOPBHVSA-N 0 0 464.607 3.158 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCOC[C@H]2OC)CC[C@H]1C ZINC001300824070 1065552340 /nfs/dbraw/zinc/55/23/40/1065552340.db2.gz CIRNAPQILIYWNB-VAKZPMALSA-N 0 0 450.530 3.060 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCOc2ccc(F)cc2)CC[C@H]1C ZINC001300824408 1065552825 /nfs/dbraw/zinc/55/28/25/1065552825.db2.gz LFQAVNQSQOWUCC-LVCYWYKZSA-N 0 0 480.606 3.040 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOc2ccc(F)cc2)CC[C@@H]1C ZINC001300824409 1065552891 /nfs/dbraw/zinc/55/28/91/1065552891.db2.gz LFQAVNQSQOWUCC-WAOWUJCRSA-N 0 0 480.606 3.040 20 0 JGADRN CO[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(F)F)c2)CC1(C)C ZINC001300824363 1065552939 /nfs/dbraw/zinc/55/29/39/1065552939.db2.gz KVFNIKPLOLWSSS-WMZOPIPTSA-N 0 0 468.570 3.201 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(C)C)cc2)CC1(C)C ZINC001300825549 1065553872 /nfs/dbraw/zinc/55/38/72/1065553872.db2.gz NXCWWSURRLWCAC-TZIWHRDSSA-N 0 0 476.643 3.125 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2nccs2)CC[C@H]1C ZINC001300825918 1065554388 /nfs/dbraw/zinc/55/43/88/1065554388.db2.gz OMNQCXGLNWMUMY-FGTMMUONSA-N 0 0 492.646 3.147 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2nccs2)CC[C@H]1C ZINC001300825920 1065554554 /nfs/dbraw/zinc/55/45/54/1065554554.db2.gz OMNQCXGLNWMUMY-KZNAEPCWSA-N 0 0 492.646 3.147 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2nccs2)CC[C@@H]1C ZINC001300825922 1065554618 /nfs/dbraw/zinc/55/46/18/1065554618.db2.gz OMNQCXGLNWMUMY-OKZBNKHCSA-N 0 0 492.646 3.147 20 0 JGADRN CO[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC001300826748 1065555630 /nfs/dbraw/zinc/55/56/30/1065555630.db2.gz WNDVDJLCDIVBSV-ROUUACIJSA-N 0 0 459.557 3.308 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC001300826750 1065555697 /nfs/dbraw/zinc/55/56/97/1065555697.db2.gz WNDVDJLCDIVBSV-ZWKOTPCHSA-N 0 0 459.557 3.308 20 0 JGADRN CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 ZINC001300827619 1065557033 /nfs/dbraw/zinc/55/70/33/1065557033.db2.gz AYPQVASQOSMZBZ-HXUWFJFHSA-N 0 0 455.511 3.271 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCOC(C)(C)C2)CC[C@@H]1C ZINC001300828306 1065557587 /nfs/dbraw/zinc/55/75/87/1065557587.db2.gz XGJJAOJQZILLFH-GHTZIAJQSA-N 0 0 462.038 3.494 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(O)c2)CC1(C)C ZINC001300828885 1065558040 /nfs/dbraw/zinc/55/80/40/1065558040.db2.gz YJHKPGGRZKORIE-VQTJNVASSA-N 0 0 487.601 3.202 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSc2ccc(C)cc2)CC[C@H]1C ZINC001300828837 1065558063 /nfs/dbraw/zinc/55/80/63/1065558063.db2.gz YDHFAXICBMWEGN-QWFCFKBJSA-N 0 0 464.657 3.142 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)CC(F)(F)F)CC[C@H]1C ZINC001300833466 1065567060 /nfs/dbraw/zinc/56/70/60/1065567060.db2.gz DLRNGOXTMVYHRE-IEBWSBKVSA-N 0 0 479.551 3.262 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC[C@@H]1C ZINC001300834253 1065569055 /nfs/dbraw/zinc/56/90/55/1065569055.db2.gz KRPZWSBRZQAXKZ-JTSKRJEESA-N 0 0 498.653 3.010 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCS(=O)(=O)Cc2ccccc2)CC[C@H]1C ZINC001300834599 1065569485 /nfs/dbraw/zinc/56/94/85/1065569485.db2.gz NHCNDHACXLSBPV-OFNKIYASSA-N 0 0 483.638 3.130 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1(C)C ZINC001300835010 1065570155 /nfs/dbraw/zinc/57/01/55/1065570155.db2.gz PAOMCXIYKFNIRP-ICSRJNTNSA-N 0 0 471.602 3.275 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1(C)C ZINC001300835009 1065570177 /nfs/dbraw/zinc/57/01/77/1065570177.db2.gz PAOMCXIYKFNIRP-AZUAARDMSA-N 0 0 471.602 3.275 20 0 JGADRN O=C(c1csc(-c2ccco2)n1)N1CCC(n2nncc2I)CC1 ZINC001300835084 1065570767 /nfs/dbraw/zinc/57/07/67/1065570767.db2.gz GBHFBJHCMCVAJA-UHFFFAOYSA-N 0 0 455.281 3.077 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1(C)C ZINC001300835438 1065570777 /nfs/dbraw/zinc/57/07/77/1065570777.db2.gz SDVGGTSAIYRPEL-QZTJIDSGSA-N 0 0 487.592 3.445 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCCCC2=O)CC1(C)C ZINC001300835461 1065571482 /nfs/dbraw/zinc/57/14/82/1065571482.db2.gz SMVHQBSKLCFRAQ-IBGZPJMESA-N 0 0 460.648 3.288 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC2(S(C)(=O)=O)CCCC2)CC1(C)C ZINC001300836222 1065571874 /nfs/dbraw/zinc/57/18/74/1065571874.db2.gz ZILYBZLBAHIPAJ-QGZVFWFLSA-N 0 0 452.646 3.149 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2cnnn2)CC[C@@H]1C ZINC001300838094 1065574071 /nfs/dbraw/zinc/57/40/71/1065574071.db2.gz ICVBKUFABVWPOD-KSSFIOAISA-N 0 0 481.388 3.102 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CCC2)CC[C@@H]1C ZINC001300838061 1065574157 /nfs/dbraw/zinc/57/41/57/1065574157.db2.gz HOSUUAPGSZBTJN-GHTZIAJQSA-N 0 0 476.643 3.302 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CCCNC(=O)C(C)C)CC1(C)C ZINC001300838581 1065574746 /nfs/dbraw/zinc/57/47/46/1065574746.db2.gz MLIXWBKCHIUOND-OAQYLSRUSA-N 0 0 457.619 3.497 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)c2ccccc2)CC[C@@H]1C ZINC001300839945 1065576917 /nfs/dbraw/zinc/57/69/17/1065576917.db2.gz JGLLAACVQJBRON-FXAWDEMLSA-N 0 0 460.625 3.266 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1(C)C ZINC001300840360 1065577389 /nfs/dbraw/zinc/57/73/89/1065577389.db2.gz CWJPOYOQTQOCMK-VQTJNVASSA-N 0 0 497.562 3.290 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCn2cncn2)CC[C@@H]1C ZINC001300840577 1065577604 /nfs/dbraw/zinc/57/76/04/1065577604.db2.gz VFONIYGQQURNRB-KSSFIOAISA-N 0 0 466.373 3.317 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCCc2cnn(C)n2)CC[C@H]1C ZINC001300840596 1065578003 /nfs/dbraw/zinc/57/80/03/1065578003.db2.gz VLZYXSIOKCMSOL-KNQAVFIVSA-N 0 0 453.591 3.096 20 0 JGADRN CO[C@@H]1CN(c2nnc(CC3CCCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1(C)C ZINC001300840479 1065578107 /nfs/dbraw/zinc/57/81/07/1065578107.db2.gz KXNVXWGOKDFMHM-RBUKOAKNSA-N 0 0 455.594 3.228 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC[C@@H]1C ZINC001300840854 1065578945 /nfs/dbraw/zinc/57/89/45/1065578945.db2.gz XMNVTTRWJWAPCL-IOMROCGXSA-N 0 0 455.603 3.250 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(C)COCCO2)CC[C@@H]1C ZINC001300841368 1065579613 /nfs/dbraw/zinc/57/96/13/1065579613.db2.gz ZDQNYHOWBBCLPW-NBCNXNJRSA-N 0 0 495.418 3.286 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001300841654 1065579850 /nfs/dbraw/zinc/57/98/50/1065579850.db2.gz IDANUTAWCJPMBA-KNQAVFIVSA-N 0 0 476.643 3.160 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001300841655 1065579864 /nfs/dbraw/zinc/57/98/64/1065579864.db2.gz IDANUTAWCJPMBA-SIKLNZKXSA-N 0 0 476.643 3.160 20 0 JGADRN CO[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)CC[C@@H]1C ZINC001300842966 1065580741 /nfs/dbraw/zinc/58/07/41/1065580741.db2.gz UAOQIQLWAOEDTH-PZJWPPBQSA-N 0 0 460.644 3.282 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CC(C)C)c2C)CC[C@@H]1C ZINC001300842519 1065581025 /nfs/dbraw/zinc/58/10/25/1065581025.db2.gz MUJAZAADOOEPLO-HTAPYJJXSA-N 0 0 454.623 3.210 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CC(C)C)c2C)CC[C@H]1C ZINC001300842521 1065581050 /nfs/dbraw/zinc/58/10/50/1065581050.db2.gz MUJAZAADOOEPLO-VGOFRKELSA-N 0 0 454.623 3.210 20 0 JGADRN CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C ZINC001300843262 1065581510 /nfs/dbraw/zinc/58/15/10/1065581510.db2.gz OPIBFJQKWWENOB-QFBILLFUSA-N 0 0 481.519 3.403 20 0 JGADRN CO[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCOc2ccc(C)cc2)CC[C@@H]1C ZINC001300845453 1065586361 /nfs/dbraw/zinc/58/63/61/1065586361.db2.gz 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NC(=O)c1nc2cc(NC(=O)CCC[S@](=O)c3ccc(Br)cc3)ccc2o1 ZINC001301534387 1066361267 /nfs/dbraw/zinc/36/12/67/1066361267.db2.gz GHIFNXLQGHPAER-MHZLTWQESA-N 0 0 450.314 3.216 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001302015136 1066362307 /nfs/dbraw/zinc/36/23/07/1066362307.db2.gz MYGMSFBRKHSJND-IMWIBFENSA-N 0 0 460.623 3.061 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001302015146 1066362376 /nfs/dbraw/zinc/36/23/76/1066362376.db2.gz MYGMSFBRKHSJND-YDIMBITNSA-N 0 0 460.623 3.061 20 0 JGADRN COCCCCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001301535432 1066363045 /nfs/dbraw/zinc/36/30/45/1066363045.db2.gz GWMMCXLXNWKCMH-LJQANCHMSA-N 0 0 474.993 3.182 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1Cc1ccc(C)cc1N1CCOCC1 ZINC001302015699 1066363069 /nfs/dbraw/zinc/36/30/69/1066363069.db2.gz UVAAECUENDFWLB-YZUZCNPQSA-N 0 0 487.645 3.057 20 0 JGADRN CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2ccnn2)C1 ZINC001302016145 1066364700 /nfs/dbraw/zinc/36/47/00/1066364700.db2.gz IXPXBWRGGAZFQD-XUVXKRRUSA-N 0 0 486.665 3.010 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](c3ccccc3OC)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001302016336 1066365054 /nfs/dbraw/zinc/36/50/54/1066365054.db2.gz PVSXTDVRHFBZRW-SQNIBIBYSA-N 0 0 466.529 3.429 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(C)=C(Br)C2)n1CC1([S@](C)=O)CCC1 ZINC001302016549 1066365258 /nfs/dbraw/zinc/36/52/58/1066365258.db2.gz XMPITBBJNTVMNY-HBIPHATFSA-N 0 0 475.453 3.182 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](c3ccccc3OC)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001302016331 1066365333 /nfs/dbraw/zinc/36/53/33/1066365333.db2.gz PVSXTDVRHFBZRW-FGTMMUONSA-N 0 0 466.529 3.429 20 0 JGADRN CN(C)[S@](C)(=O)=NC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC001301536885 1066365334 /nfs/dbraw/zinc/36/53/34/1066365334.db2.gz SNPFZFBSWPOYQX-NMEJYPJZSA-N 0 0 452.577 3.129 20 0 JGADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CSCCS2)C1 ZINC001302016627 1066365673 /nfs/dbraw/zinc/36/56/73/1066365673.db2.gz KJOFOKKTDNHTJR-OTWHNJEPSA-N 0 0 481.732 3.399 20 0 JGADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[C@@H](O)C2)C1 ZINC001302016894 1066366054 /nfs/dbraw/zinc/36/60/54/1066366054.db2.gz VRECKTXNOQHNTQ-FDFHNCONSA-N 0 0 468.646 3.194 20 0 JGADRN COCCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001301538591 1066366268 /nfs/dbraw/zinc/36/62/68/1066366268.db2.gz DRLQAUOHZCVAFA-JOCHJYFZSA-N 0 0 459.639 3.009 20 0 JGADRN COCCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001301538771 1066366301 /nfs/dbraw/zinc/36/63/01/1066366301.db2.gz UZQOWXGBBIYTFU-UHFFFAOYSA-N 0 0 452.559 3.337 20 0 JGADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC(=O)NCc2ccco2)C1 ZINC001302016905 1066366370 /nfs/dbraw/zinc/36/63/70/1066366370.db2.gz WEZGTOHORTVPAB-IBGZPJMESA-N 0 0 498.653 3.219 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(c3ccnn3C)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001302016999 1066366512 /nfs/dbraw/zinc/36/65/12/1066366512.db2.gz RVMJNHDLTZYOQD-AQNXPRMDSA-N 0 0 460.623 3.325 20 0 JGADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CSCCS2)C1 ZINC001302017373 1066367387 /nfs/dbraw/zinc/36/73/87/1066367387.db2.gz XGNSBMDIVYUYGU-AZUAARDMSA-N 0 0 488.727 3.491 20 0 JGADRN COCCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001301539911 1066367480 /nfs/dbraw/zinc/36/74/80/1066367480.db2.gz KTQMNDCTLCGKIV-QFIPXVFZSA-N 0 0 455.603 3.228 20 0 JGADRN COCCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001301540149 1066367673 /nfs/dbraw/zinc/36/76/73/1066367673.db2.gz BIEANHFHLFMEAI-SFTDATJTSA-N 0 0 450.530 3.348 20 0 JGADRN COCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001301540586 1066368380 /nfs/dbraw/zinc/36/83/80/1066368380.db2.gz IQKXHUWGRQFLOC-QUCCMNQESA-N 0 0 483.034 3.228 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1C[C@](C)(O)c1ccccc1 ZINC001302018211 1066368796 /nfs/dbraw/zinc/36/87/96/1066368796.db2.gz XDQBWPWNGJOKCW-DFBJGRDBSA-N 0 0 468.602 3.027 20 0 JGADRN COCCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)C1 ZINC001301541561 1066369154 /nfs/dbraw/zinc/36/91/54/1066369154.db2.gz XSGWVSLGPMYMEW-ROUUACIJSA-N 0 0 469.652 3.345 20 0 JGADRN CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cc4ccccc4o3)n2CCOCCCO)C1 ZINC001302019024 1066370025 /nfs/dbraw/zinc/37/00/25/1066370025.db2.gz YPCKUHVKBXQRFU-LJQANCHMSA-N 0 0 483.613 3.469 20 0 JGADRN CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC2(C)C)C1 ZINC001302019027 1066370710 /nfs/dbraw/zinc/37/07/10/1066370710.db2.gz YRXYYVDYOCBVOM-IRXDYDNUSA-N 0 0 472.659 3.447 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001302019582 1066371013 /nfs/dbraw/zinc/37/10/13/1066371013.db2.gz HNMFQVIPZIBFLP-UHFFFAOYSA-N 0 0 484.402 3.223 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001302020248 1066372008 /nfs/dbraw/zinc/37/20/08/1066372008.db2.gz UVXQFTSDDWTOEC-HXUWFJFHSA-N 0 0 452.534 3.219 20 0 JGADRN CC(C)(C)C(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC=C(Br)C1 ZINC001302020544 1066372418 /nfs/dbraw/zinc/37/24/18/1066372418.db2.gz DIUHDORFALODSL-GOSISDBHSA-N 0 0 490.402 3.442 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCSC2)C1 ZINC001302020669 1066373164 /nfs/dbraw/zinc/37/31/64/1066373164.db2.gz GGPNLAWMHSVNRH-QHCPKHFHSA-N 0 0 461.607 3.492 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001302020575 1066373233 /nfs/dbraw/zinc/37/32/33/1066373233.db2.gz DTNWRZHFRFLOBK-UHFFFAOYSA-N 0 0 484.620 3.152 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001302021099 1066374381 /nfs/dbraw/zinc/37/43/81/1066374381.db2.gz TVPPSTCEKIKXRI-UHFFFAOYSA-N 0 0 489.624 3.281 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(CCc2ccccc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001302021228 1066374464 /nfs/dbraw/zinc/37/44/64/1066374464.db2.gz XZCKPZGOWJDULZ-JOCHJYFZSA-N 0 0 483.657 3.248 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001302021145 1066374628 /nfs/dbraw/zinc/37/46/28/1066374628.db2.gz VVVYDBOILDCKFC-AREMUKBSSA-N 0 0 497.043 3.264 20 0 JGADRN CC(C)(C)[C@@]1(C)CN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCC(F)F)CCO1 ZINC001302021708 1066375007 /nfs/dbraw/zinc/37/50/07/1066375007.db2.gz GMMWBZKDBOCQQU-HSZRJFAPSA-N 0 0 473.528 3.464 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1C[C@@]1(C)COCCO1 ZINC001302022028 1066375394 /nfs/dbraw/zinc/37/53/94/1066375394.db2.gz AQIWASQNVYGJFG-FPGHNAPASA-N 0 0 462.566 3.016 20 0 JGADRN O=C(NCCCC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)NC1CCCCC1 ZINC001302021814 1066375428 /nfs/dbraw/zinc/37/54/28/1066375428.db2.gz MONFHXGHVDGDKW-UYAOXDASSA-N 0 0 452.393 3.496 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001302022274 1066375842 /nfs/dbraw/zinc/37/58/42/1066375842.db2.gz DAVGXGDFIOAAPG-BEZXDORVSA-N 0 0 450.624 3.459 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001302022273 1066375951 /nfs/dbraw/zinc/37/59/51/1066375951.db2.gz DAVGXGDFIOAAPG-AIYVTKCESA-N 0 0 450.624 3.459 20 0 JGADRN CC(C)(C)[C@]1(C)CN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 ZINC001302022296 1066375983 /nfs/dbraw/zinc/37/59/83/1066375983.db2.gz MMABKAPJQMIBTG-QFIPXVFZSA-N 0 0 461.632 3.339 20 0 JGADRN COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC001301546960 1066376364 /nfs/dbraw/zinc/37/63/64/1066376364.db2.gz KTUHOLPRBOHKGY-YADHBBJMSA-N 0 0 457.596 3.407 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1C[C@]1(O)CCCC1(C)C ZINC001302022517 1066376461 /nfs/dbraw/zinc/37/64/61/1066376461.db2.gz DUWKHECRAKHGGT-LJFZDNNRSA-N 0 0 450.624 3.196 20 0 JGADRN COCCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001301547173 1066376630 /nfs/dbraw/zinc/37/66/30/1066376630.db2.gz GZIGWCLXAQMSGI-UHFFFAOYSA-N 0 0 485.677 3.431 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(SC)CC1 ZINC001302022647 1066376773 /nfs/dbraw/zinc/37/67/73/1066376773.db2.gz AWYFAZFWMFKBGK-JKSUJKDBSA-N 0 0 455.625 3.001 20 0 JGADRN COCCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001301547552 1066377086 /nfs/dbraw/zinc/37/70/86/1066377086.db2.gz KTWGFGCIHBJCCN-XMMPIXPASA-N 0 0 457.575 3.322 20 0 JGADRN Cn1cncc1[C@@H](CO)NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001301547761 1066377201 /nfs/dbraw/zinc/37/72/01/1066377201.db2.gz PXERJYQTFKFWBC-LJQANCHMSA-N 0 0 452.312 3.256 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1Cc1ccc(F)c(Cl)c1 ZINC001302023039 1066377318 /nfs/dbraw/zinc/37/73/18/1066377318.db2.gz CXBPAASOWRJMSU-WBVHZDCISA-N 0 0 465.957 3.044 20 0 JGADRN COCCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001301548891 1066377745 /nfs/dbraw/zinc/37/77/45/1066377745.db2.gz 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/nfs/dbraw/zinc/09/02/67/1067090267.db2.gz FILLVBGKKVCYNL-UHFFFAOYSA-N 0 0 470.599 3.341 20 0 JGADRN Cc1nc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)sc1C ZINC001304047208 1067090357 /nfs/dbraw/zinc/09/03/57/1067090357.db2.gz PHYSHXBGKFEUBY-MRXNPFEDSA-N 0 0 481.047 3.323 20 0 JGADRN Cc1nc(CCn2c(CCOc3ccccc3)nnc2N2CCC(S(C)(=O)=O)CC2)sc1C ZINC001304048791 1067091338 /nfs/dbraw/zinc/09/13/38/1067091338.db2.gz CDUURVSBTNRWJW-UHFFFAOYSA-N 0 0 489.667 3.229 20 0 JGADRN Cc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3ccccc3F)C2)sc1C ZINC001304048805 1067091586 /nfs/dbraw/zinc/09/15/86/1067091586.db2.gz CSJNCIQLHGGTKY-SFHVURJKSA-N 0 0 458.563 3.255 20 0 JGADRN CS(=O)(=O)NCC1CCN(c2nnc(Cc3ccccc3F)n2CCc2ccsc2)CC1 ZINC001302491053 1067091673 /nfs/dbraw/zinc/09/16/73/1067091673.db2.gz MKZBNXWCQRNSKM-UHFFFAOYSA-N 0 0 477.631 3.078 20 0 JGADRN Cc1nc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)CC2)sc1C ZINC001304050272 1067092332 /nfs/dbraw/zinc/09/23/32/1067092332.db2.gz IERVEEQFVCPDRG-UHFFFAOYSA-N 0 0 466.430 3.398 20 0 JGADRN Cc1nc(Cn2c(-c3cccc4cccnc43)nnc2N(C)CCCS(C)(=O)=O)sc1C ZINC001304050327 1067092390 /nfs/dbraw/zinc/09/23/90/1067092390.db2.gz INJJVBNNLXZXCT-UHFFFAOYSA-N 0 0 470.624 3.486 20 0 JGADRN CC1C(=O)N=C(CCN(C)C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)NC1=O ZINC001304050613 1067092595 /nfs/dbraw/zinc/09/25/95/1067092595.db2.gz VICMQHJRUOXJBI-SFHVURJKSA-N 0 0 458.559 3.489 20 0 JGADRN CC(C)(CNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCCO1 ZINC001302492787 1067092633 /nfs/dbraw/zinc/09/26/33/1067092633.db2.gz LSVAWHIAUMRWKE-OAHLLOKOSA-N 0 0 456.914 3.349 20 0 JGADRN CC(C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCc1nccs1 ZINC001302493112 1067092732 /nfs/dbraw/zinc/09/27/32/1067092732.db2.gz QUKMZLOUVCENNZ-QFIPXVFZSA-N 0 0 453.572 3.136 20 0 JGADRN CC(C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2cccc(Br)c2C1 ZINC001302492864 1067092939 /nfs/dbraw/zinc/09/29/39/1067092939.db2.gz OFMDJTHTYCJAJL-OAQYLSRUSA-N 0 0 459.392 3.411 20 0 JGADRN Cc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(c3ccccc3)CC2)sc1C ZINC001304051777 1067093408 /nfs/dbraw/zinc/09/34/08/1067093408.db2.gz SVYAMJIPAHPFNP-INIZCTEOSA-N 0 0 474.656 3.394 20 0 JGADRN Cc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)sc1C ZINC001304051962 1067093524 /nfs/dbraw/zinc/09/35/24/1067093524.db2.gz KDWYKCGMTSIUQY-CQSZACIVSA-N 0 0 485.557 3.356 20 0 JGADRN CS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1Cc1cccs1 ZINC001302494671 1067093431 /nfs/dbraw/zinc/09/34/31/1067093431.db2.gz MGKLQHZXRRJBMX-INIZCTEOSA-N 0 0 481.047 3.206 20 0 JGADRN CC(C)[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001302494968 1067093597 /nfs/dbraw/zinc/09/35/97/1067093597.db2.gz BYUVVCYGOZOSSS-RUZDIDTESA-N 0 0 490.048 3.005 20 0 JGADRN Cc1nc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cccc(C(N)=O)c2)sc1C ZINC001304052394 1067093758 /nfs/dbraw/zinc/09/37/58/1067093758.db2.gz AGWHYKUORAOPLJ-UHFFFAOYSA-N 0 0 495.634 3.127 20 0 JGADRN Cc1nc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CCN2CCOCC2)sc1C ZINC001304052450 1067093769 /nfs/dbraw/zinc/09/37/69/1067093769.db2.gz BGYKKILDRNHPKO-UHFFFAOYSA-N 0 0 477.034 3.401 20 0 JGADRN Cc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(OC(C)(C)C)CC2)sc1C ZINC001304052389 1067093977 /nfs/dbraw/zinc/09/39/77/1067093977.db2.gz SBYFCAXXLZFYDP-INIZCTEOSA-N 0 0 467.661 3.086 20 0 JGADRN Cc1nc(Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)sc1C ZINC001304052817 1067094159 /nfs/dbraw/zinc/09/41/59/1067094159.db2.gz HXGNJROWERTNGE-GOSISDBHSA-N 0 0 469.615 3.489 20 0 JGADRN CS(=O)(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]2CCCCCC[C@@H]21 ZINC001302495664 1067094552 /nfs/dbraw/zinc/09/45/52/1067094552.db2.gz HZCNRZWDHNKNRH-KDOFPFPSSA-N 0 0 455.987 3.446 20 0 JGADRN Cc1nc(Cn2c(CCCc3ccccc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)sc1C ZINC001304053447 1067094817 /nfs/dbraw/zinc/09/48/17/1067094817.db2.gz SVMNFCKBPKLFGD-IBGZPJMESA-N 0 0 459.641 3.198 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001302496379 1067094735 /nfs/dbraw/zinc/09/47/35/1067094735.db2.gz IDAPOQVPIIAQKY-NBGIEHNGSA-N 0 0 455.603 3.108 20 0 JGADRN O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccc([C@H](O)C(F)(F)F)cc1 ZINC001302496226 1067094848 /nfs/dbraw/zinc/09/48/48/1067094848.db2.gz VFZOSPHOVMXXAG-KRWDZBQOSA-N 0 0 459.218 3.409 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001302496402 1067094882 /nfs/dbraw/zinc/09/48/82/1067094882.db2.gz IFXJWKSPDRTNAC-ZFGGDYGUSA-N 0 0 450.624 3.481 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001302496377 1067094915 /nfs/dbraw/zinc/09/49/15/1067094915.db2.gz IDAPOQVPIIAQKY-CJFMBICVSA-N 0 0 455.603 3.108 20 0 JGADRN CS(=O)(=O)NCCCn1c(-c2ccc(Br)s2)nnc1N1Cc2ccccc2C1 ZINC001302496644 1067095303 /nfs/dbraw/zinc/09/53/03/1067095303.db2.gz YIMFATOCLCQJTD-UHFFFAOYSA-N 0 0 482.429 3.229 20 0 JGADRN Cc1nc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCCCOC(C)C)CC2)sc1C ZINC001304055073 1067095368 /nfs/dbraw/zinc/09/53/68/1067095368.db2.gz BYHFSMCDCIUQSG-UHFFFAOYSA-N 0 0 475.663 3.119 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001302497169 1067095548 /nfs/dbraw/zinc/09/55/48/1067095548.db2.gz KFDJDFUCDQKNPP-IUKKYPGJSA-N 0 0 451.612 3.025 20 0 JGADRN Cc1nc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H]3CCCC3(C)C)CC2)sc1C ZINC001304055233 1067095613 /nfs/dbraw/zinc/09/56/13/1067095613.db2.gz FGLIXUOLZMSCKJ-AEFFLSMTSA-N 0 0 495.719 3.115 20 0 JGADRN Cc1nc(N2CCN(c3nnc(C4CCC4)n3CCNC(=O)OC(C)(C)C)CC2)sc1C ZINC001304055635 1067095673 /nfs/dbraw/zinc/09/56/73/1067095673.db2.gz KHJDFRTVIXKKCI-UHFFFAOYSA-N 0 0 461.636 3.470 20 0 JGADRN COc1cc(NC(=O)Cc2cccs2)c(C(=O)NCc2cnn3c2CCCC3)cc1OC ZINC001304055362 1067095763 /nfs/dbraw/zinc/09/57/63/1067095763.db2.gz BEXXLAJKFCZKEH-UHFFFAOYSA-N 0 0 454.552 3.409 20 0 JGADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCCNC(=O)C(C)C ZINC001304056453 1067096068 /nfs/dbraw/zinc/09/60/68/1067096068.db2.gz BGUNWQZAAOZGFH-ROUUACIJSA-N 0 0 489.690 3.191 20 0 JGADRN Cc1nc(N2CCN(c3nnc(-c4cnccn4)n3C[C@](C)(O)CCC(C)C)CC2)sc1C ZINC001304055876 1067096111 /nfs/dbraw/zinc/09/61/11/1067096111.db2.gz NSBGZZUIMFZUCN-HSZRJFAPSA-N 0 0 470.647 3.322 20 0 JGADRN CS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001302498514 1067096390 /nfs/dbraw/zinc/09/63/90/1067096390.db2.gz KFPHWSQHCMVJDN-HSZRJFAPSA-N 0 0 461.607 3.274 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001302497814 1067096526 /nfs/dbraw/zinc/09/65/26/1067096526.db2.gz NTFNGDQIIFVJII-WZONZLPQSA-N 0 0 451.612 3.230 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccsc2)CC1 ZINC001302498903 1067097204 /nfs/dbraw/zinc/09/72/04/1067097204.db2.gz VYXLJHRJOUWKTF-GHTZIAJQSA-N 0 0 452.646 3.033 20 0 JGADRN CS(=O)(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 ZINC001302499264 1067097694 /nfs/dbraw/zinc/09/76/94/1067097694.db2.gz NNLWGJJFLQIQFL-PXNSSMCTSA-N 0 0 465.595 3.095 20 0 JGADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1C[C@](C)(O)C(C)C ZINC001304057389 1067098036 /nfs/dbraw/zinc/09/80/36/1067098036.db2.gz PAGBRYVVXDTDEC-QQMNAOGKSA-N 0 0 462.664 3.436 20 0 JGADRN CC(C)[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001302500043 1067098452 /nfs/dbraw/zinc/09/84/52/1067098452.db2.gz GNNCYMOIAJRIDY-RXFWQSSRSA-N 0 0 471.646 3.438 20 0 JGADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCS(C)(=O)=O)n1C[C@H]1CCC[C@H](O)C1 ZINC001304057495 1067098590 /nfs/dbraw/zinc/09/85/90/1067098590.db2.gz SVHLUONVAFTIDI-HKUYNNGSSA-N 0 0 489.667 3.409 20 0 JGADRN CC(C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001302500712 1067098882 /nfs/dbraw/zinc/09/88/82/1067098882.db2.gz LAJFRKPJACCORO-AREMUKBSSA-N 0 0 462.598 3.200 20 0 JGADRN CC(C)[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001302500801 1067099086 /nfs/dbraw/zinc/09/90/86/1067099086.db2.gz LTLVCDYXYUUSGE-HHHXNRCGSA-N 0 0 476.625 3.412 20 0 JGADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)F)n1C[C@](C)(O)c1ccco1 ZINC001304057615 1067099102 /nfs/dbraw/zinc/09/91/02/1067099102.db2.gz XHWVWXWVDXSSIW-NRFANRHFSA-N 0 0 482.557 3.139 20 0 JGADRN CC(C)[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001302502015 1067100056 /nfs/dbraw/zinc/10/00/56/1067100056.db2.gz AQVPWCAVRXOMBB-FXCLAUTBSA-N 0 0 464.035 3.346 20 0 JGADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCCO[C@H](C)C2)n1CCC(C)(F)F ZINC001304058165 1067100047 /nfs/dbraw/zinc/10/00/47/1067100047.db2.gz DEQBDMMFLAMDMD-CQSZACIVSA-N 0 0 456.563 3.207 20 0 JGADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCCO[C@@H](C)C2)n1CCC(C)(F)F ZINC001304058159 1067100107 /nfs/dbraw/zinc/10/01/07/1067100107.db2.gz DEQBDMMFLAMDMD-AWEZNQCLSA-N 0 0 456.563 3.207 20 0 JGADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCO[C@H](C)C2)n1CCNC(=O)C(C)C ZINC001304058269 1067100662 /nfs/dbraw/zinc/10/06/62/1067100662.db2.gz FHXVFEWAYXJVJM-MRXNPFEDSA-N 0 0 454.600 3.374 20 0 JGADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@H](C)C2)n1CC[S@@](=O)C(C)(C)C 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CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(C)COCCO2)CC1 ZINC001302512866 1067126224 /nfs/dbraw/zinc/12/62/24/1067126224.db2.gz ZIIVPJHSYIOUNU-KBMIEXCESA-N 0 0 461.651 3.193 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCSC2)cnn1C ZINC001304080916 1067126263 /nfs/dbraw/zinc/12/62/63/1067126263.db2.gz VWFKDRXKIJAJJJ-ZDUSSCGKSA-N 0 0 450.410 3.467 20 0 JGADRN Cc1occc1CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001304080412 1067126356 /nfs/dbraw/zinc/12/63/56/1067126356.db2.gz ULXQBCWVLTTWIZ-MRXNPFEDSA-N 0 0 463.991 3.418 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3cccc(Br)c3)n2CC2([S@](C)=O)CC2)cnn1C ZINC001304080900 1067126364 /nfs/dbraw/zinc/12/63/64/1067126364.db2.gz VRXLPCSGZNDBDA-LJAQVGFWSA-N 0 0 477.432 3.297 20 0 JGADRN COC(=O)[C@H]1CN(C(=O)c2ccn(Cc3ccccc3)c2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001304081384 1067127083 /nfs/dbraw/zinc/12/70/83/1067127083.db2.gz VEOKOVSIAOLUEC-HXUWFJFHSA-N 0 0 453.539 3.019 20 0 JGADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCc2ccco2)cnn1C ZINC001304081563 1067127423 /nfs/dbraw/zinc/12/74/23/1067127423.db2.gz KAIDFLVGWPJMSP-QGZVFWFLSA-N 0 0 481.532 3.145 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)C1CC1 ZINC001304081915 1067128120 /nfs/dbraw/zinc/12/81/20/1067128120.db2.gz PLUDTPSBEHDBDM-OAHLLOKOSA-N 0 0 458.563 3.485 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1F ZINC001304082103 1067128685 /nfs/dbraw/zinc/12/86/85/1067128685.db2.gz UMWFFCWLESWOMI-LBPRGKRZSA-N 0 0 455.943 3.267 20 0 JGADRN CSC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001302513986 1067128808 /nfs/dbraw/zinc/12/88/08/1067128808.db2.gz UEROUSDKYHUEIW-IBGZPJMESA-N 0 0 467.437 3.047 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 ZINC001304082214 1067128827 /nfs/dbraw/zinc/12/88/27/1067128827.db2.gz XMLQONQRXXPUIS-INIZCTEOSA-N 0 0 487.655 3.404 20 0 JGADRN CSC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001302514024 1067129463 /nfs/dbraw/zinc/12/94/63/1067129463.db2.gz VEEZUSROCJGMKA-ZDUSSCGKSA-N 0 0 458.053 3.246 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3ccccc3Br)n2Cc2ccn(C)n2)cnn1C ZINC001304083201 1067130218 /nfs/dbraw/zinc/13/02/18/1067130218.db2.gz DXSJMGXXIJZDGO-UHFFFAOYSA-N 0 0 455.364 3.168 20 0 JGADRN Cc1occc1CN(C)c1nnc(-c2cccn2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001304083962 1067130269 /nfs/dbraw/zinc/13/02/69/1067130269.db2.gz RGTATSYKXYJZSH-LJQANCHMSA-N 0 0 450.518 3.305 20 0 JGADRN CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1cccnc1 ZINC001302514760 1067131710 /nfs/dbraw/zinc/13/17/10/1067131710.db2.gz SIQNOZNJNHYHHD-UYAOXDASSA-N 0 0 493.578 3.422 20 0 JGADRN CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1cccnc1 ZINC001302514759 1067131807 /nfs/dbraw/zinc/13/18/07/1067131807.db2.gz SIQNOZNJNHYHHD-QUCCMNQESA-N 0 0 493.578 3.422 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCSC(F)(F)F)cnn1C ZINC001304088039 1067132166 /nfs/dbraw/zinc/13/21/66/1067132166.db2.gz JOMGPIRSDLBRRV-UHFFFAOYSA-N 0 0 492.531 3.123 20 0 JGADRN CC(C)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@H]1C)N1CCOCC1 ZINC001302514809 1067132217 /nfs/dbraw/zinc/13/22/17/1067132217.db2.gz SXXRAPFYJBJGQO-HZPDHXFCSA-N 0 0 484.464 3.351 20 0 JGADRN Cc1c(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCCn2cc(Br)cn2)cnn1C ZINC001304088610 1067132812 /nfs/dbraw/zinc/13/28/12/1067132812.db2.gz GETRXCGXDQCUEY-QGZVFWFLSA-N 0 0 491.438 3.290 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl ZINC001304088652 1067132859 /nfs/dbraw/zinc/13/28/59/1067132859.db2.gz XMOYQQBRYYXIFW-KKSFZXQISA-N 0 0 460.991 3.192 20 0 JGADRN CSC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001302514955 1067132809 /nfs/dbraw/zinc/13/28/09/1067132809.db2.gz BRUNIBSIDAEPDX-OAQYLSRUSA-N 0 0 451.543 3.405 20 0 JGADRN CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@]2(C1)CCCOC2)NC(=O)OC(C)(C)C ZINC001302515468 1067133375 /nfs/dbraw/zinc/13/33/75/1067133375.db2.gz KFLJXQQJYQXMNU-DVECYGJZSA-N 0 0 471.606 3.291 20 0 JGADRN Cc1c(CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(C[S@](C)=O)cc2)cnn1C ZINC001304089265 1067133462 /nfs/dbraw/zinc/13/34/62/1067133462.db2.gz UGAZPEBLTPPWPA-KTBRYMIGSA-N 0 0 456.616 3.125 20 0 JGADRN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(I)cc1 ZINC000748808150 1067133469 /nfs/dbraw/zinc/13/34/69/1067133469.db2.gz BVQLJDAMBAGUAM-AWEZNQCLSA-N 0 0 480.368 3.359 20 0 JGADRN Cc1c(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)cnn1C ZINC001304089336 1067133494 /nfs/dbraw/zinc/13/34/94/1067133494.db2.gz VUVWVHIWJHWORC-DYESRHJHSA-N 0 0 473.572 3.432 20 0 JGADRN CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)(C(N)=O)C1)NC(=O)OC(C)(C)C ZINC001302515620 1067133753 /nfs/dbraw/zinc/13/37/53/1067133753.db2.gz ZMQWFWMQKLXTTF-QMHKHESXSA-N 0 0 492.024 3.245 20 0 JGADRN CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)(C(N)=O)C1)NC(=O)OC(C)(C)C ZINC001302515619 1067133787 /nfs/dbraw/zinc/13/37/87/1067133787.db2.gz ZMQWFWMQKLXTTF-MWTRTKDXSA-N 0 0 492.024 3.245 20 0 JGADRN CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(N)=O)C1)c1cccnc1 ZINC001302515565 1067133893 /nfs/dbraw/zinc/13/38/93/1067133893.db2.gz ZCLHJZACUDCWKB-RDJZCZTQSA-N 0 0 472.391 3.182 20 0 JGADRN CC(C)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001302516524 1067135692 /nfs/dbraw/zinc/13/56/92/1067135692.db2.gz UQLQAJYACHHYPB-IBGZPJMESA-N 0 0 481.601 3.342 20 0 JGADRN CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncc(Cl)n1C)NC(=O)OC(C)(C)C ZINC001302516917 1067136331 /nfs/dbraw/zinc/13/63/31/1067136331.db2.gz XRIRDGWZBANRGI-MRXNPFEDSA-N 0 0 492.028 3.251 20 0 JGADRN Cc1c(CN(C)c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(F)(F)F)cnn1C ZINC001304092766 1067136452 /nfs/dbraw/zinc/13/64/52/1067136452.db2.gz QVFCERDSNBHVTI-UHFFFAOYSA-N 0 0 493.538 3.057 20 0 JGADRN CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001302517703 1067136911 /nfs/dbraw/zinc/13/69/11/1067136911.db2.gz AYSJXUCJIRROPD-QFQXNSOFSA-N 0 0 499.660 3.190 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 ZINC001304093034 1067136958 /nfs/dbraw/zinc/13/69/58/1067136958.db2.gz UPVCEYXIRLNXRS-SFHVURJKSA-N 0 0 492.646 3.414 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 ZINC001304093217 1067136967 /nfs/dbraw/zinc/13/69/67/1067136967.db2.gz WGMQZJHCZCAZID-KRWDZBQOSA-N 0 0 450.511 3.239 20 0 JGADRN CSC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001302517418 1067136982 /nfs/dbraw/zinc/13/69/82/1067136982.db2.gz ZLICCNLPLZGJBK-SFHVURJKSA-N 0 0 481.688 3.342 20 0 JGADRN CSC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001302517415 1067137025 /nfs/dbraw/zinc/13/70/25/1067137025.db2.gz ZGOSIEZAHXCHEM-HXUWFJFHSA-N 0 0 468.627 3.337 20 0 JGADRN CC(C)(C)c1csc(CC2(O)CCN(C(=O)CNC(=O)c3cc4ccccc4[nH]3)CC2)n1 ZINC001302518255 1067137380 /nfs/dbraw/zinc/13/73/80/1067137380.db2.gz WTPPTKZGEQERJL-UHFFFAOYSA-N 0 0 454.596 3.248 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(CC2CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001304095473 1067137566 /nfs/dbraw/zinc/13/75/66/1067137566.db2.gz RUVQGROFSGVSOY-UHFFFAOYSA-N 0 0 461.613 3.114 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCOCC1 ZINC001304097208 1067138372 /nfs/dbraw/zinc/13/83/72/1067138372.db2.gz IKNFXCXCWRVQIK-UHFFFAOYSA-N 0 0 460.629 3.488 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCS1(=O)=O ZINC001304097032 1067138385 /nfs/dbraw/zinc/13/83/85/1067138385.db2.gz BCIMZIIOEAPQQK-IBGZPJMESA-N 0 0 475.640 3.268 20 0 JGADRN Cc1c(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO[C@H]2C(C)C)cnn1C ZINC001304097431 1067138720 /nfs/dbraw/zinc/13/87/20/1067138720.db2.gz QGNHAMMTRXBGGT-AVRDEDQJSA-N 0 0 485.658 3.399 20 0 JGADRN Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)N(C)C)cnn1C ZINC001304097404 1067138735 /nfs/dbraw/zinc/13/87/35/1067138735.db2.gz PLUJZGCGFALUSW-UHFFFAOYSA-N 0 0 467.618 3.311 20 0 JGADRN Cc1occc1CN(C)c1nnc(COc2ccccc2F)n1CC(=O)NCC(F)(F)F ZINC001304097720 1067139490 /nfs/dbraw/zinc/13/94/90/1067139490.db2.gz FEPNOCSKFKSMLC-UHFFFAOYSA-N 0 0 455.412 3.213 20 0 JGADRN Cc1c2cc(F)ccc2oc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001304097843 1067139797 /nfs/dbraw/zinc/13/97/97/1067139797.db2.gz GGSSCAUBUOMTHT-JKSUJKDBSA-N 0 0 491.589 3.014 20 0 JGADRN Cc1c(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCOc2ccc(F)cc2)cnn1CC(C)C ZINC001304097923 1067139951 /nfs/dbraw/zinc/13/99/51/1067139951.db2.gz HHQQHRPIFBNRHG-UHFFFAOYSA-N 0 0 483.592 3.378 20 0 JGADRN Cc1c(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(F)c(Cl)c2)cnn1C ZINC001304098290 1067140629 /nfs/dbraw/zinc/14/06/29/1067140629.db2.gz IOJVPAREIJITPX-UHFFFAOYSA-N 0 0 468.924 3.445 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 ZINC001304098214 1067140660 /nfs/dbraw/zinc/14/06/60/1067140660.db2.gz LVXUBGRJYYDVQG-KDURUIRLSA-N 0 0 475.590 3.128 20 0 JGADRN Cc1nnsc1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(Br)c1 ZINC001304098182 1067140677 /nfs/dbraw/zinc/14/06/77/1067140677.db2.gz HMQXROOMVIFWJC-UHFFFAOYSA-N 0 0 464.393 3.023 20 0 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ZINC001304463250 1067541350 /nfs/dbraw/zinc/54/13/50/1067541350.db2.gz CNMVSMGSCXQAQZ-HKUYNNGSSA-N 0 0 464.561 3.008 20 0 JGADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)NCCCN(C)c2ccccn2)c1)c1ccccc1 ZINC001302975282 1067541692 /nfs/dbraw/zinc/54/16/92/1067541692.db2.gz QHXDETWFCJQUFC-IBGZPJMESA-N 0 0 452.580 3.377 20 0 JGADRN Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)N2CCOCC2)n1 ZINC001304463701 1067541865 /nfs/dbraw/zinc/54/18/65/1067541865.db2.gz GYJRNHUCZFWWDZ-GHTZIAJQSA-N 0 0 499.660 3.109 20 0 JGADRN Fc1cccnc1N1CCN(c2nnc([C@H]3CCCCO3)n2CCCOCC(F)F)CC1 ZINC001302976276 1067542362 /nfs/dbraw/zinc/54/23/62/1067542362.db2.gz DDYHTIZPHSFCRK-QGZVFWFLSA-N 0 0 454.497 3.052 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccco3)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001302976535 1067542378 /nfs/dbraw/zinc/54/23/78/1067542378.db2.gz PMFADQHIFULGFF-NRFANRHFSA-N 0 0 458.584 3.240 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCNC(=O)c2cccs2)n1 ZINC001304464188 1067542520 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WKEQOGMYUQQFLF-UHFFFAOYSA-N 0 0 474.671 3.326 20 0 JGADRN Cc1cccc(CC2(O)CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3CCC[C@H]3C)CC2)c1 ZINC001304483851 1067562938 /nfs/dbraw/zinc/56/29/38/1067562938.db2.gz XKBUKQOBRRTDFY-URVUXULASA-N 0 0 489.686 3.207 20 0 JGADRN Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H](F)c2ccc(Br)cc2)n1 ZINC001304483763 1067562999 /nfs/dbraw/zinc/56/29/99/1067562999.db2.gz BVXKLAMPQQITPP-INIZCTEOSA-N 0 0 459.323 3.058 20 0 JGADRN Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2cccc(C)c2)s1 ZINC001304483694 1067563019 /nfs/dbraw/zinc/56/30/19/1067563019.db2.gz RCRVLJKUGMMALT-VQIMIIECSA-N 0 0 489.671 3.331 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303008347 1067563024 /nfs/dbraw/zinc/56/30/24/1067563024.db2.gz MICUBNOREXNHLM-UQBPGWFLSA-N 0 0 450.587 3.382 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)CC1 ZINC001303008062 1067563065 /nfs/dbraw/zinc/56/30/65/1067563065.db2.gz LDLHDHLTHAZUEQ-NRFANRHFSA-N 0 0 482.398 3.360 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N1CCC(C(N)=O)CC1 ZINC001303008709 1067563357 /nfs/dbraw/zinc/56/33/57/1067563357.db2.gz OQTPERTWTQNEKC-VWLOTQADSA-N 0 0 450.587 3.382 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@@H](c4ccc(Cl)s4)C3)n2CCOCCCO)n1 ZINC001304484512 1067563972 /nfs/dbraw/zinc/56/39/72/1067563972.db2.gz UDQOMIQNUHNCLT-QGZVFWFLSA-N 0 0 463.991 3.340 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001303010012 1067564218 /nfs/dbraw/zinc/56/42/18/1067564218.db2.gz JIBBQMUJPBLQER-LOSJGSFVSA-N 0 0 466.586 3.489 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2Cc2cccnc2OCC(F)(F)F)n1 ZINC001304485430 1067564333 /nfs/dbraw/zinc/56/43/33/1067564333.db2.gz OBVOCPMGNDUGKW-KDOFPFPSSA-N 0 0 462.476 3.240 20 0 JGADRN Cc1cccc([C@@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCCNC(=O)C(C)C)C2)c1 ZINC001304485628 1067564538 /nfs/dbraw/zinc/56/45/38/1067564538.db2.gz CURGIQAJZAZRLM-OAQYLSRUSA-N 0 0 475.597 3.390 20 0 JGADRN Cc1cccc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)n1 ZINC001304486103 1067564661 /nfs/dbraw/zinc/56/46/61/1067564661.db2.gz IYNAWHGIPQUCQN-INIZCTEOSA-N 0 0 471.549 3.295 20 0 JGADRN Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC(=O)N3CCCCC3)C2)c1 ZINC001304485621 1067564672 /nfs/dbraw/zinc/56/46/72/1067564672.db2.gz COPVYBTVSPRXPD-NRFANRHFSA-N 0 0 452.603 3.121 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001303010279 1067564784 /nfs/dbraw/zinc/56/47/84/1067564784.db2.gz UUEWDDWVFMHOHO-UEXGIBASSA-N 0 0 465.392 3.456 20 0 JGADRN Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 ZINC001304486400 1067564974 /nfs/dbraw/zinc/56/49/74/1067564974.db2.gz LMRTZNDSCRIBCQ-FQEVSTJZSA-N 0 0 462.602 3.202 20 0 JGADRN Cc1cccc(CC2(O)CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CC[C@@H](F)C3)CC2)c1 ZINC001304486347 1067564990 /nfs/dbraw/zinc/56/49/90/1067564990.db2.gz HINRIIYLWLCEOU-LEWJYISDSA-N 0 0 457.594 3.437 20 0 JGADRN 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CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001303012385 1067567106 /nfs/dbraw/zinc/56/71/06/1067567106.db2.gz ZDQUWCKWXTYKQQ-AREMUKBSSA-N 0 0 478.641 3.494 20 0 JGADRN NC(=O)[C@@H](c1ccccc1)N1CCN(c2nnc(CC3CCCC3)n2CCCOC(F)(F)F)CC1 ZINC001303012635 1067567321 /nfs/dbraw/zinc/56/73/21/1067567321.db2.gz GPTKHGJVHNOTFE-OAQYLSRUSA-N 0 0 494.562 3.286 20 0 JGADRN NC(=O)C1(c2ccccc2)CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)(F)F)CC1 ZINC001303012638 1067567350 /nfs/dbraw/zinc/56/73/50/1067567350.db2.gz GSROIHZZEXERHD-QGZVFWFLSA-N 0 0 481.519 3.122 20 0 JGADRN NC(=O)[C@@H](Cc1ccc(F)cc1)Cn1c(C2CCC2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001303013228 1067567622 /nfs/dbraw/zinc/56/76/22/1067567622.db2.gz PNUUYKHKZULLIS-SFHVURJKSA-N 0 0 482.526 3.103 20 0 JGADRN NC(=O)[C@H](Cc1ccc(F)cc1)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001303013007 1067567718 /nfs/dbraw/zinc/56/77/18/1067567718.db2.gz LHDCGVMXBSOZLL-GVDBMIGSSA-N 0 0 469.483 3.044 20 0 JGADRN 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CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001303014747 1067569055 /nfs/dbraw/zinc/56/90/55/1067569055.db2.gz ONMSHMSQWFGBGE-MSYCTHLASA-N 0 0 470.680 3.151 20 0 JGADRN Cc1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001304491196 1067569147 /nfs/dbraw/zinc/56/91/47/1067569147.db2.gz IGCXISXZCULCFQ-PGRDOPGGSA-N 0 0 465.520 3.310 20 0 JGADRN Cc1cccc(CCn2c(-c3cnccn3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1 ZINC001304491625 1067569561 /nfs/dbraw/zinc/56/95/61/1067569561.db2.gz LORWFRHJXHBWQJ-IBGZPJMESA-N 0 0 462.602 3.060 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001303015443 1067569660 /nfs/dbraw/zinc/56/96/60/1067569660.db2.gz GXIJKRBLBQCZFK-HHHXNRCGSA-N 0 0 495.672 3.399 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001303015462 1067569754 /nfs/dbraw/zinc/56/97/54/1067569754.db2.gz SBEZBPSAXDOAJS-RLWLMLJZSA-N 0 0 487.620 3.347 20 0 JGADRN 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C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](c1ccco1)N(C)C ZINC001303782901 1068362946 /nfs/dbraw/zinc/36/29/46/1068362946.db2.gz KOBABUHLLYQHLF-NQIIRXRSSA-N 0 0 484.626 3.046 20 0 JGADRN C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCN1CCOCC1 ZINC001305222667 1068363317 /nfs/dbraw/zinc/36/33/17/1068363317.db2.gz LYGCTDLHMZAFPV-MJGOQNOKSA-N 0 0 478.435 3.149 20 0 JGADRN C[C@H]1COCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCN1CCOCC1 ZINC001305222670 1068363344 /nfs/dbraw/zinc/36/33/44/1068363344.db2.gz LYGCTDLHMZAFPV-PKOBYXMFSA-N 0 0 478.435 3.149 20 0 JGADRN C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1Cc1nc(C2CC2)cs1 ZINC001303782973 1068363406 /nfs/dbraw/zinc/36/34/06/1068363406.db2.gz MVAPVDRGEHHLAM-CQSZACIVSA-N 0 0 479.603 3.248 20 0 JGADRN CC(F)(F)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001303783195 1068363988 /nfs/dbraw/zinc/36/39/88/1068363988.db2.gz WHYHAHQBNHDFBF-UHFFFAOYSA-N 0 0 452.937 3.044 20 0 JGADRN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCOC1 ZINC001303783196 1068364055 /nfs/dbraw/zinc/36/40/55/1068364055.db2.gz PFHBOSOSLCHCEO-GJZGRUSLSA-N 0 0 491.441 3.460 20 0 JGADRN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001303783364 1068364498 /nfs/dbraw/zinc/36/44/98/1068364498.db2.gz QUZIQNLDNUHFBK-OXQOHEQNSA-N 0 0 489.573 3.374 20 0 JGADRN CC(F)(F)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001303783535 1068365082 /nfs/dbraw/zinc/36/50/82/1068365082.db2.gz WCMARGHONCZHHY-QZTJIDSGSA-N 0 0 454.543 3.303 20 0 JGADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC001303784286 1068365586 /nfs/dbraw/zinc/36/55/86/1068365586.db2.gz CXOZTQLBLDGDQC-IMFGXOCKSA-N 0 0 469.586 3.034 20 0 JGADRN CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1=O ZINC001303784882 1068365637 /nfs/dbraw/zinc/36/56/37/1068365637.db2.gz YRJNRRHVTFOVIE-QXAKKESOSA-N 0 0 488.382 3.204 20 0 JGADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC001303784287 1068365660 /nfs/dbraw/zinc/36/56/60/1068365660.db2.gz CXOZTQLBLDGDQC-YVWKXTFCSA-N 0 0 469.586 3.034 20 0 JGADRN C[C@H]1COCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCO1 ZINC001305224500 1068366710 /nfs/dbraw/zinc/36/67/10/1068366710.db2.gz RENNHKATJBVYTR-ZMSDIMECSA-N 0 0 452.397 3.334 20 0 JGADRN C[C@H]1COCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 ZINC001305224446 1068366872 /nfs/dbraw/zinc/36/68/72/1068366872.db2.gz QXSFGLNKUZBQGX-HOCLYGCPSA-N 0 0 453.921 3.380 20 0 JGADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N(CCCCO)C2CC2)n1CCC(C)(F)F ZINC001303786575 1068367218 /nfs/dbraw/zinc/36/72/18/1068367218.db2.gz DIBQHJRNVVJTEZ-KRWDZBQOSA-N 0 0 473.565 3.373 20 0 JGADRN C[C@@H](N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC001303787179 1068367824 /nfs/dbraw/zinc/36/78/24/1068367824.db2.gz CBXYZSZTGNFHHW-CZUORRHYSA-N 0 0 456.900 3.004 20 0 JGADRN CC(C)[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001303787459 1068368134 /nfs/dbraw/zinc/36/81/34/1068368134.db2.gz FLUPGMYPDYFTIA-KUHUBIRLSA-N 0 0 460.932 3.473 20 0 JGADRN CC(C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001303787457 1068368219 /nfs/dbraw/zinc/36/82/19/1068368219.db2.gz FLUPGMYPDYFTIA-AUUYWEPGSA-N 0 0 460.932 3.473 20 0 JGADRN C[C@@H]1COCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001305225109 1068369052 /nfs/dbraw/zinc/36/90/52/1068369052.db2.gz SYUFLEUMAKXXKH-ILXRZTDVSA-N 0 0 480.382 3.186 20 0 JGADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001305225464 1068369504 /nfs/dbraw/zinc/36/95/04/1068369504.db2.gz FJQKBJWDVSYNHP-VAMGGRTRSA-N 0 0 470.618 3.382 20 0 JGADRN C[C@@H](N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1)C(F)(F)F ZINC001303788124 1068369751 /nfs/dbraw/zinc/36/97/51/1068369751.db2.gz JYNBSKJUZLQYEX-UYCLUKJHSA-N 0 0 492.571 3.340 20 0 JGADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CCC(O)(COCCO)CC3)cc2c1 ZINC001303788221 1068369847 /nfs/dbraw/zinc/36/98/47/1068369847.db2.gz MDUOAENCNXVWNK-UHFFFAOYSA-N 0 0 450.557 3.224 20 0 JGADRN C[C@@H](N1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC001303788324 1068370144 /nfs/dbraw/zinc/37/01/44/1068370144.db2.gz MBCAQNAYNYDSCA-QVKFZJNVSA-N 0 0 495.937 3.369 20 0 JGADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1C ZINC001305226107 1068370204 /nfs/dbraw/zinc/37/02/04/1068370204.db2.gz KUIXCMHWZJZURE-AHCXZYCDSA-N 0 0 468.570 3.328 20 0 JGADRN C[C@@H](N1CCN(c2nnc(-c3cccc(Br)c3)n2CCn2cncn2)CC1)C(F)(F)F ZINC001303788155 1068370286 /nfs/dbraw/zinc/37/02/86/1068370286.db2.gz GJCNMBATWGDGEZ-CQSZACIVSA-N 0 0 499.339 3.072 20 0 JGADRN C[C@H]1COCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001305226843 1068371525 /nfs/dbraw/zinc/37/15/25/1068371525.db2.gz JQYNCKZSWTXGHB-ICSRJNTNSA-N 0 0 455.603 3.207 20 0 JGADRN C[C@H](N1CCN(c2nnc(-c3cccnc3)n2CCCOCC2CCOCC2)CC1)C(F)(F)F ZINC001303789053 1068371945 /nfs/dbraw/zinc/37/19/45/1068371945.db2.gz QTQGFCHTXIDNGM-SFHVURJKSA-N 0 0 482.551 3.246 20 0 JGADRN C[C@H](N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2cccc(Cl)c2)CC1)C(F)(F)F ZINC001303789105 1068372080 /nfs/dbraw/zinc/37/20/80/1068372080.db2.gz RLJUKJDYXWYDBE-YOEHRIQHSA-N 0 0 486.926 3.034 20 0 JGADRN C[C@H](N1CCN(c2nnc(-c3ccccc3)n2CC2(C(N)=O)CCCC2)CC1)C(F)(F)F ZINC001303789310 1068372427 /nfs/dbraw/zinc/37/24/27/1068372427.db2.gz VHWQMBJWZVCMAI-INIZCTEOSA-N 0 0 450.509 3.064 20 0 JGADRN C[C@@H]1COCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001305227565 1068372579 /nfs/dbraw/zinc/37/25/79/1068372579.db2.gz LVDVKHKJBWZSKL-RTWAWAEBSA-N 0 0 468.646 3.300 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCC(C)(F)F ZINC001303789221 1068372485 /nfs/dbraw/zinc/37/24/85/1068372485.db2.gz OMIFXPVTNAAXNC-CVEARBPZSA-N 0 0 470.565 3.487 20 0 JGADRN C[C@@H](N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)N(C)C)CC1)C(F)(F)F ZINC001303789280 1068372545 /nfs/dbraw/zinc/37/25/45/1068372545.db2.gz UIMKDXYYRQBENI-CYBMUJFWSA-N 0 0 476.906 3.289 20 0 JGADRN C[C@H]1COCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305228074 1068372828 /nfs/dbraw/zinc/37/28/28/1068372828.db2.gz ROCAARYNKUTIQN-FHWLQOOXSA-N 0 0 458.607 3.402 20 0 JGADRN CC(F)(F)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001303789359 1068372946 /nfs/dbraw/zinc/37/29/46/1068372946.db2.gz PIQZFCDQTTZICM-GOSISDBHSA-N 0 0 467.492 3.042 20 0 JGADRN C[C@H](N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2ccco2)CC1)C(F)(F)F ZINC001303789315 1068373035 /nfs/dbraw/zinc/37/30/35/1068373035.db2.gz VIAADNAOGAKPIK-YRNRMSPPSA-N 0 0 457.497 3.093 20 0 JGADRN C[C@@H](N1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(-n3cncn3)c2)CC1)C(F)(F)F ZINC001303789436 1068373051 /nfs/dbraw/zinc/37/30/51/1068373051.db2.gz QORTUDZNGRFCPX-MRXNPFEDSA-N 0 0 462.524 3.277 20 0 JGADRN C[C@@H]1COCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O ZINC001305228044 1068372842 /nfs/dbraw/zinc/37/28/42/1068372842.db2.gz RBEFFAYCGVEQLG-IEBWSBKVSA-N 0 0 457.600 3.037 20 0 JGADRN C[C@@H]1COCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O ZINC001305228045 1068373049 /nfs/dbraw/zinc/37/30/49/1068373049.db2.gz RBEFFAYCGVEQLG-MJGOQNOKSA-N 0 0 457.600 3.037 20 0 JGADRN C[C@@H]1COCCN1c1nnc(-c2ccc(Br)s2)n1CC(=O)NCCc1ccccc1 ZINC001305227931 1068373079 /nfs/dbraw/zinc/37/30/79/1068373079.db2.gz IQDPXFNGCIFMPV-OAHLLOKOSA-N 0 0 490.427 3.353 20 0 JGADRN C[C@@H]1COCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001305228886 1068373556 /nfs/dbraw/zinc/37/35/56/1068373556.db2.gz BPWMQSUSNRKOLD-QGZVFWFLSA-N 0 0 499.616 3.157 20 0 JGADRN C[C@@H](N1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC001303789779 1068373488 /nfs/dbraw/zinc/37/34/88/1068373488.db2.gz RDUGYWCTTROITR-MRXNPFEDSA-N 0 0 484.954 3.483 20 0 JGADRN CC(F)(F)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001303789926 1068373933 /nfs/dbraw/zinc/37/39/33/1068373933.db2.gz STJIACKVUTVASX-UHFFFAOYSA-N 0 0 498.937 3.201 20 0 JGADRN C[C@H](N1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCCC2(C)C)CC1)C(F)(F)F ZINC001303790033 1068374003 /nfs/dbraw/zinc/37/40/03/1068374003.db2.gz ZBTOSDBSNGCBIG-KKSFZXQISA-N 0 0 452.525 3.354 20 0 JGADRN C[C@@H]1COCCN1c1nnc(-c2cc(F)ccc2Br)n1CCCC(=O)NC1CC1 ZINC001305228961 1068374069 /nfs/dbraw/zinc/37/40/69/1068374069.db2.gz MHLCQIAPBAKXQQ-CYBMUJFWSA-N 0 0 466.355 3.131 20 0 JGADRN C[C@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305228986 1068374089 /nfs/dbraw/zinc/37/40/89/1068374089.db2.gz MOPADASLIYMOOB-LBPRGKRZSA-N 0 0 480.436 3.469 20 0 JGADRN C[C@@H]1COCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305229542 1068374435 /nfs/dbraw/zinc/37/44/35/1068374435.db2.gz XAOQJTWXXBUHFU-FUMNGEBKSA-N 0 0 463.623 3.290 20 0 JGADRN 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Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CCC(C)(F)F)cc1 ZINC001492316261 1065393075 /nfs/dbraw/zinc/39/30/75/1065393075.db2.gz HRPUATQODXXEBB-UHFFFAOYSA-N 0 0 471.574 3.071 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCCCO2)cc1C ZINC001492317880 1065393505 /nfs/dbraw/zinc/39/35/05/1065393505.db2.gz RCQBZWPVFCUTMZ-PMACEKPBSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2C[C@H]2CCC=CO2)cc1C ZINC001492317697 1065393683 /nfs/dbraw/zinc/39/36/83/1065393683.db2.gz OZPODOGQPKZCFX-JOCHJYFZSA-N 0 0 489.642 3.027 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CC2(C)CCC2)cc1 ZINC001492318816 1065393953 /nfs/dbraw/zinc/39/39/53/1065393953.db2.gz YMLDYTQXHFELPL-UHFFFAOYSA-N 0 0 461.632 3.216 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccs2)cc1C ZINC001492318026 1065394131 /nfs/dbraw/zinc/39/41/31/1065394131.db2.gz SFPMFUOXWRESQJ-WZONZLPQSA-N 0 0 490.651 3.066 20 0 JGADRN Cc1c(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCCC(=O)N(C)C)cnn1C ZINC001492320590 1065394481 /nfs/dbraw/zinc/39/44/81/1065394481.db2.gz NXUCCVYIVVXKKT-UHFFFAOYSA-N 0 0 453.591 3.021 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2CC(=O)NC2CCCCC2)cc1C ZINC001492323483 1065396968 /nfs/dbraw/zinc/39/69/68/1065396968.db2.gz QUKPFSVJMNGAPK-UHFFFAOYSA-N 0 0 465.602 3.293 20 0 JGADRN Cc1cc(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)CN2CCOCC2)no1 ZINC001492324725 1065397518 /nfs/dbraw/zinc/39/75/18/1065397518.db2.gz CZPPBZWCLNGABP-IBGZPJMESA-N 0 0 454.575 3.067 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2CCS(=O)(=O)C(C)(C)C)cc1C ZINC001492325961 1065398271 /nfs/dbraw/zinc/39/82/71/1065398271.db2.gz USASRIPXNUFYCI-UHFFFAOYSA-N 0 0 472.615 3.114 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001492329096 1065399123 /nfs/dbraw/zinc/39/91/23/1065399123.db2.gz BKORHANKEAPDTL-UHFFFAOYSA-N 0 0 457.619 3.499 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492329182 1065399719 /nfs/dbraw/zinc/39/97/19/1065399719.db2.gz HAEADEFSAIBDKV-SFTDATJTSA-N 0 0 457.619 3.138 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CC2([S@](C)=O)CCC2)cc1 ZINC001492330071 1065400940 /nfs/dbraw/zinc/40/09/40/1065400940.db2.gz KQMOHSMANIKDHZ-XIFFEERXSA-N 0 0 476.643 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCC3CCOCC3)n2CCN2CCOC[C@H]2C)cc1 ZINC001492330704 1065401007 /nfs/dbraw/zinc/40/10/07/1065401007.db2.gz SJYXEKDLOZIWAJ-OAQYLSRUSA-N 0 0 457.619 3.139 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCNC(=O)c2ccco2)cc1C ZINC001492330911 1065401051 /nfs/dbraw/zinc/40/10/51/1065401051.db2.gz ULODOLSYMBXJGZ-UHFFFAOYSA-N 0 0 497.596 3.332 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001492340750 1065402799 /nfs/dbraw/zinc/40/27/99/1065402799.db2.gz VBKUAVZXZLCHAJ-RTBURBONSA-N 0 0 486.617 3.088 20 0 JGADRN Cc1ccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@@]2(O)CCCC2(C)C)cc1C ZINC001492337523 1065404420 /nfs/dbraw/zinc/40/44/20/1065404420.db2.gz KZMJVEBGEOUUDH-VWLOTQADSA-N 0 0 490.670 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2cc(C(C)(C)C)no2)cc1 ZINC001492336669 1065404516 /nfs/dbraw/zinc/40/45/16/1065404516.db2.gz DCHMMEZXGOIVNG-QGZVFWFLSA-N 0 0 452.559 3.166 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[C@H]2CCO[C@H](C)C2)cc1C ZINC001492337203 1065404524 /nfs/dbraw/zinc/40/45/24/1065404524.db2.gz GVDAMGSWKRZZCM-HBMCJLEFSA-N 0 0 455.603 3.346 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2C[C@](C)(O)C(C)C)cc1C ZINC001492338450 1065406077 /nfs/dbraw/zinc/40/60/77/1065406077.db2.gz KOTVASGDRABJRF-CZSZKKDXSA-N 0 0 455.603 3.128 20 0 JGADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)s1 ZINC001492339024 1065406918 /nfs/dbraw/zinc/40/69/18/1065406918.db2.gz MUKMQSONSROBTP-IAGOWNOFSA-N 0 0 454.600 3.401 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)cc1 ZINC001492339748 1065407529 /nfs/dbraw/zinc/40/75/29/1065407529.db2.gz VLMHXDKZRDCDEU-ATIYNZHBSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](C)CN2CCOCC2)cc1C ZINC001492339727 1065407636 /nfs/dbraw/zinc/40/76/36/1065407636.db2.gz PLXBRVSPAGMDJB-UGKGYDQZSA-N 0 0 471.646 3.446 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCOCCS(C)(=O)=O)cc1 ZINC001492339451 1065407659 /nfs/dbraw/zinc/40/76/59/1065407659.db2.gz NZNVZBPPJBIUON-IBGZPJMESA-N 0 0 464.632 3.099 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](C)CN2CCOCC2)cc1C ZINC001492339703 1065407700 /nfs/dbraw/zinc/40/77/00/1065407700.db2.gz PLXBRVSPAGMDJB-DENIHFKCSA-N 0 0 471.646 3.446 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CCc2ccncc2)cc1 ZINC001492339854 1065408337 /nfs/dbraw/zinc/40/83/37/1065408337.db2.gz WGDOQKYDGGOWKC-SZPZYZBQSA-N 0 0 464.614 3.349 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC001492293998 1065408893 /nfs/dbraw/zinc/40/88/93/1065408893.db2.gz FTYITEOFEIJKCN-YADHBBJMSA-N 0 0 471.646 3.353 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2cccs2)cc1 ZINC001492289337 1065408970 /nfs/dbraw/zinc/40/89/70/1065408970.db2.gz ZYHUKIXBUNLOJG-UHFFFAOYSA-N 0 0 452.584 3.088 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOC(C)(C)C2)cc1 ZINC001492294657 1065409777 /nfs/dbraw/zinc/40/97/77/1065409777.db2.gz JTTQXUDYAFOTSG-FQEVSTJZSA-N 0 0 465.602 3.058 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1 ZINC001492295535 1065410341 /nfs/dbraw/zinc/41/03/41/1065410341.db2.gz OHPNOPPGUHAGNH-QYZOEREBSA-N 0 0 457.600 3.374 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C(C)C)C2)cc1 ZINC001492296012 1065411214 /nfs/dbraw/zinc/41/12/14/1065411214.db2.gz RLCKVYTYEUIWAK-HBFSDRIKSA-N 0 0 481.688 3.242 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C(C)C)C2)cc1 ZINC001492296011 1065411250 /nfs/dbraw/zinc/41/12/50/1065411250.db2.gz RLCKVYTYEUIWAK-GGPKGHCWSA-N 0 0 481.688 3.242 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 ZINC001492295617 1065411382 /nfs/dbraw/zinc/41/13/82/1065411382.db2.gz PBTHVICOEQJNKO-DENIHFKCSA-N 0 0 454.575 3.085 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492296225 1065412202 /nfs/dbraw/zinc/41/22/02/1065412202.db2.gz SPJPMNVJAQXWFA-BJLQDIEVSA-N 0 0 484.601 3.109 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3C[C@]2(C)CCC3)cc1 ZINC001492297935 1065412240 /nfs/dbraw/zinc/41/22/40/1065412240.db2.gz ZEOLSINQQXWIQT-ZQAYVECASA-N 0 0 461.632 3.433 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3C[C@]2(C)CCC3)cc1 ZINC001492297930 1065412274 /nfs/dbraw/zinc/41/22/74/1065412274.db2.gz ZEOLSINQQXWIQT-KCESLBEFSA-N 0 0 461.632 3.433 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492296231 1065412281 /nfs/dbraw/zinc/41/22/81/1065412281.db2.gz SPJPMNVJAQXWFA-HBFSDRIKSA-N 0 0 484.601 3.109 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001545691903 1065413039 /nfs/dbraw/zinc/41/30/39/1065413039.db2.gz KISXSGYFVYCOIT-APWZRJJASA-N 0 0 470.599 3.293 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(c4nccs4)CC3)n2CCS(C)(=O)=O)cc1C ZINC001492352233 1065414087 /nfs/dbraw/zinc/41/40/87/1065414087.db2.gz LDBLMRUSUCLWJS-UHFFFAOYSA-N 0 0 475.640 3.359 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H]2CSCCS2)cc1C ZINC001492351844 1065414142 /nfs/dbraw/zinc/41/41/42/1065414142.db2.gz GUKMHJROFWOAQH-XMSQKQJNSA-N 0 0 461.657 3.024 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2CSCCS2)cc1C ZINC001492351842 1065414149 /nfs/dbraw/zinc/41/41/49/1065414149.db2.gz GUKMHJROFWOAQH-GCJKJVERSA-N 0 0 461.657 3.024 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2CCCOC(F)F)cc1C ZINC001492352361 1065414679 /nfs/dbraw/zinc/41/46/79/1065414679.db2.gz LVKDAXSHVGHDFA-DEOSSOPVSA-N 0 0 479.572 3.404 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492353225 1065414815 /nfs/dbraw/zinc/41/48/15/1065414815.db2.gz UQILQQWDGCTWNC-QUCCMNQESA-N 0 0 463.648 3.284 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CCn2cncn2)cc1 ZINC001492353246 1065415790 /nfs/dbraw/zinc/41/57/90/1065415790.db2.gz VFTATXFUEWXZBQ-UHFFFAOYSA-N 0 0 496.616 3.341 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CCC2(C)CC2)cc1C ZINC001492353989 1065417211 /nfs/dbraw/zinc/41/72/11/1065417211.db2.gz SHDVINJMZZEWCD-UHFFFAOYSA-N 0 0 475.659 3.430 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492354029 1065418126 /nfs/dbraw/zinc/41/81/26/1065418126.db2.gz UKHTYCJROVGERU-HSZRJFAPSA-N 0 0 497.562 3.467 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2C[C@](C)(O)CCC(C)C)cc1C ZINC001492391037 1065418771 /nfs/dbraw/zinc/41/87/71/1065418771.db2.gz KHTGIAODNPDWMG-HFZDXXHNSA-N 0 0 484.645 3.217 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001492358449 1065418891 /nfs/dbraw/zinc/41/88/91/1065418891.db2.gz AQEFQYISQDBYSM-UUOWRZLLSA-N 0 0 489.642 3.137 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1C ZINC001492359212 1065420703 /nfs/dbraw/zinc/42/07/03/1065420703.db2.gz HBPXGLDSCPJZPN-AFMDSPMNSA-N 0 0 498.628 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@@H]2CCCOC2)cc1 ZINC001492391061 1065421424 /nfs/dbraw/zinc/42/14/24/1065421424.db2.gz KZOWMOKRFHWCDC-QFIPXVFZSA-N 0 0 457.619 3.139 20 0 JGADRN Cc1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)s1 ZINC001492391073 1065423093 /nfs/dbraw/zinc/42/30/93/1065423093.db2.gz LNBYBSZVPPIMBN-KRWDZBQOSA-N 0 0 475.640 3.054 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCCSC2)cc1C ZINC001492362598 1065424229 /nfs/dbraw/zinc/42/42/29/1065424229.db2.gz DEHIMLGYJMEJAS-QUCCMNQESA-N 0 0 464.657 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492363309 1065424235 /nfs/dbraw/zinc/42/42/35/1065424235.db2.gz IFBXTICYBPXUIY-UHFFFAOYSA-N 0 0 464.570 3.006 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 ZINC001492363591 1065425012 /nfs/dbraw/zinc/42/50/12/1065425012.db2.gz KJSDNXBZHIEXHS-FGZHOGPDSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1 ZINC001492363916 1065425715 /nfs/dbraw/zinc/42/57/15/1065425715.db2.gz OLKSIAJZJJWVBY-AUSIDOKSSA-N 0 0 476.643 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC001492363932 1065425738 /nfs/dbraw/zinc/42/57/38/1065425738.db2.gz OVJSKWYYKOAICS-AREMUKBSSA-N 0 0 498.628 3.185 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2(O)CCCCCC2)cc1C ZINC001492364213 1065426554 /nfs/dbraw/zinc/42/65/54/1065426554.db2.gz TYSPDYYEPVRMRI-OAQYLSRUSA-N 0 0 476.643 3.183 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCOCC(F)(F)C(F)F)cc1C ZINC001492363975 1065426584 /nfs/dbraw/zinc/42/65/84/1065426584.db2.gz PPJWYRYLRVFBMN-QFIPXVFZSA-N 0 0 499.509 3.107 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001492364341 1065427109 /nfs/dbraw/zinc/42/71/09/1065427109.db2.gz WKEYKUMAXZZIQO-UHFFFAOYSA-N 0 0 464.570 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC001492367912 1065428132 /nfs/dbraw/zinc/42/81/32/1065428132.db2.gz DMBVWNZBJRYSMK-IAGOWNOFSA-N 0 0 472.533 3.379 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492368688 1065428804 /nfs/dbraw/zinc/42/88/04/1065428804.db2.gz GFUQYIGGRITKQE-RTBURBONSA-N 0 0 486.617 3.028 20 0 JGADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCCNC(=O)C(C)C)C2)n1 ZINC001492369775 1065430159 /nfs/dbraw/zinc/43/01/59/1065430159.db2.gz BJBPCYJLGVMSOT-QFIPXVFZSA-N 0 0 494.644 3.378 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@]2(C)CCCO2)cc1C ZINC001492369813 1065430404 /nfs/dbraw/zinc/43/04/04/1065430404.db2.gz CFWCLKPAVXVUQZ-OFNKIYASSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@]2(O)CCOC2)cc1C ZINC001492369913 1065431194 /nfs/dbraw/zinc/43/11/94/1065431194.db2.gz DEUXRCPSZPRJTR-JIPXPUAJSA-N 0 0 499.656 3.004 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2Cc2cnnn2C)cc1C ZINC001492370519 1065432824 /nfs/dbraw/zinc/43/28/24/1065432824.db2.gz JFVPUHUCFRKIIX-OAQYLSRUSA-N 0 0 453.591 3.435 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2cccc(Br)n2)cc1 ZINC001492370834 1065433439 /nfs/dbraw/zinc/43/34/39/1065433439.db2.gz LZOFOKNPCKHEAR-QGZVFWFLSA-N 0 0 499.413 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2nccn2C(F)F)cc1C ZINC001492370767 1065433470 /nfs/dbraw/zinc/43/34/70/1065433470.db2.gz LKTGHARPIISLCA-SFHVURJKSA-N 0 0 494.568 3.127 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC(=O)NC(C)C)cc1 ZINC001492372190 1065436495 /nfs/dbraw/zinc/43/64/95/1065436495.db2.gz XAKJILBWAOLMDY-FQEVSTJZSA-N 0 0 484.645 3.211 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)c2nccs2)cc1 ZINC001492372298 1065437434 /nfs/dbraw/zinc/43/74/34/1065437434.db2.gz XXLHFFOOCSFPSG-PKOBYXMFSA-N 0 0 475.640 3.439 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CC2=CCCCC2)cc1C ZINC001492391174 1065438807 /nfs/dbraw/zinc/43/88/07/1065438807.db2.gz OUINIQBMCUPBQU-FQEVSTJZSA-N 0 0 473.643 3.444 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](C)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492376824 1065438938 /nfs/dbraw/zinc/43/89/38/1065438938.db2.gz DMTFPQJXNPRYHQ-UXHICEINSA-N 0 0 461.632 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC4(CCOCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001492376872 1065439942 /nfs/dbraw/zinc/43/99/42/1065439942.db2.gz FDSLNTRNUFRRBI-UHFFFAOYSA-N 0 0 481.519 3.241 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001545691905 1065440763 /nfs/dbraw/zinc/44/07/63/1065440763.db2.gz KISXSGYFVYCOIT-QFBILLFUSA-N 0 0 470.599 3.293 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1C ZINC001492377902 1065442998 /nfs/dbraw/zinc/44/29/98/1065442998.db2.gz YGNLDBPTZWEWBF-OALUTQOASA-N 0 0 494.562 3.060 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCc2ccn(C)n2)cc1 ZINC001492378157 1065443205 /nfs/dbraw/zinc/44/32/05/1065443205.db2.gz ZYJBMVPHVITFOP-UHFFFAOYSA-N 0 0 477.535 3.216 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H]4CCC[C@H]43)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001492379425 1065443872 /nfs/dbraw/zinc/44/38/72/1065443872.db2.gz RBEHKSVBZUPIGA-TZIWHRDSSA-N 0 0 461.632 3.262 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 ZINC001492379810 1065444691 /nfs/dbraw/zinc/44/46/91/1065444691.db2.gz WQQZSUQRROZQQQ-HXUWFJFHSA-N 0 0 477.556 3.284 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC(=O)N(C)C)cc1C ZINC001492382712 1065444735 /nfs/dbraw/zinc/44/47/35/1065444735.db2.gz AQFAAFDMJHWDOL-IBGZPJMESA-N 0 0 486.617 3.008 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001492382966 1065445220 /nfs/dbraw/zinc/44/52/20/1065445220.db2.gz GVSPCJKXNPSJIS-WOJBJXKFSA-N 0 0 498.628 3.232 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1C ZINC001492382896 1065445280 /nfs/dbraw/zinc/44/52/80/1065445280.db2.gz FAHYWQJTPBJHCL-FCHUYYIVSA-N 0 0 469.630 3.330 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCCN(C)CC(F)(F)F)cc1 ZINC001492382950 1065445347 /nfs/dbraw/zinc/44/53/47/1065445347.db2.gz GKERZSNCBVQIOY-UHFFFAOYSA-N 0 0 496.578 3.354 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)cc1 ZINC001492383176 1065446967 /nfs/dbraw/zinc/44/69/67/1065446967.db2.gz MVVPQEBRLCSHEW-UHFFFAOYSA-N 0 0 475.659 3.053 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@](C)(O)C2CC2)cc1 ZINC001492384098 1065450197 /nfs/dbraw/zinc/45/01/97/1065450197.db2.gz DILCNVIHTOYXTR-VGOFRKELSA-N 0 0 467.536 3.399 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCNC(=O)C(C)C)cc1 ZINC001492384230 1065450385 /nfs/dbraw/zinc/45/03/85/1065450385.db2.gz FEVFIUFMXHPBSX-GOSISDBHSA-N 0 0 482.551 3.011 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4cnn(C)c4)C(=O)C3)n2CCSC(C)C)cc1C ZINC001492384439 1065451231 /nfs/dbraw/zinc/45/12/31/1065451231.db2.gz GZBOMPDOAKITGJ-UHFFFAOYSA-N 0 0 483.642 3.202 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4cnn(C)c4)CC3)n2CCCOC(C)C)cc1C ZINC001492385291 1065452151 /nfs/dbraw/zinc/45/21/51/1065452151.db2.gz PSPJDEJAHSECJR-UHFFFAOYSA-N 0 0 467.618 3.349 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2Cc2ncnn2C(C)(C)C)cc1 ZINC001492384862 1065452188 /nfs/dbraw/zinc/45/21/88/1065452188.db2.gz LLIUWVVIERKOBM-HXUWFJFHSA-N 0 0 494.644 3.253 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4nc(C)cc(C)n4)CC3)n2CC(F)(F)F)cc1 ZINC001492386153 1065454624 /nfs/dbraw/zinc/45/46/24/1065454624.db2.gz YEAUXUXDDDUJHE-UHFFFAOYSA-N 0 0 461.492 3.461 20 0 JGADRN Cc1cc(CN2CCN(c3nnc(COc4ccc(C)cc4)n3CC(F)(F)F)CC2)on1 ZINC001492391262 1065455700 /nfs/dbraw/zinc/45/57/00/1065455700.db2.gz QHYNWGOIRXNSGU-UHFFFAOYSA-N 0 0 450.465 3.346 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001492390899 1065456499 /nfs/dbraw/zinc/45/64/99/1065456499.db2.gz FRDXCAOVECVNSW-GOTSBHOMSA-N 0 0 471.646 3.385 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cc1 ZINC001492345651 1065461073 /nfs/dbraw/zinc/46/10/73/1065461073.db2.gz DWKDZFZVRMVZTK-ZJOUEHCJSA-N 0 0 498.628 3.123 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)cc1C ZINC001492348029 1065463421 /nfs/dbraw/zinc/46/34/21/1065463421.db2.gz ZLMKKMGECGQMQN-QGZVFWFLSA-N 0 0 479.503 3.100 20 0 JGADRN Cc1noc(C)c1[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001492348042 1065463568 /nfs/dbraw/zinc/46/35/68/1065463568.db2.gz ZVOXBGNGRFTVJC-MRXNPFEDSA-N 0 0 452.559 3.276 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CCCCCO)cc1C ZINC001492393877 1065466026 /nfs/dbraw/zinc/46/60/26/1065466026.db2.gz NCLMYLKEUHIQCM-RUZDIDTESA-N 0 0 468.602 3.122 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC2(S(C)(=O)=O)CCCC2)cc1 ZINC001492396369 1065468522 /nfs/dbraw/zinc/46/85/22/1065468522.db2.gz ZLDQXKGJQHWXMK-NRFANRHFSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CC2(S(C)(=O)=O)CC2)cc1C ZINC001492400968 1065469966 /nfs/dbraw/zinc/46/99/66/1065469966.db2.gz GVCCLWHZRFQFGO-ROUUACIJSA-N 0 0 464.657 3.381 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2CCCOCC(F)F)cc1 ZINC001492401562 1065471139 /nfs/dbraw/zinc/47/11/39/1065471139.db2.gz OTWDABPBDOIHNQ-UHFFFAOYSA-N 0 0 466.529 3.223 20 0 JGADRN Cc1nnc(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)s1 ZINC001492402003 1065471652 /nfs/dbraw/zinc/47/16/52/1065471652.db2.gz QQDPBXXQKQCDOM-LJQANCHMSA-N 0 0 458.588 3.004 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2Cc2ncccc2N(C)C)cc1 ZINC001492402475 1065472612 /nfs/dbraw/zinc/47/26/12/1065472612.db2.gz TWHBKBIZDUKGHO-JOCHJYFZSA-N 0 0 480.613 3.305 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H](C)CN2CCOCC2)cc1C ZINC001492402340 1065472706 /nfs/dbraw/zinc/47/27/06/1065472706.db2.gz ROJMXJLXWNZVDS-NQIIRXRSSA-N 0 0 459.660 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2CCCO[C@H]2C(C)C)cc1C ZINC001492402539 1065472752 /nfs/dbraw/zinc/47/27/52/1065472752.db2.gz VCAJHLQKJJBQTF-OFNKIYASSA-N 0 0 460.644 3.494 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2CCOCC(F)F)cc1C ZINC001492402860 1065472781 /nfs/dbraw/zinc/47/27/81/1065472781.db2.gz XAOAEMRMIQTDHR-UHFFFAOYSA-N 0 0 466.529 3.141 20 0 JGADRN Cc1ccc(OCCCn2c(C(C)C)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC001492410329 1065475258 /nfs/dbraw/zinc/47/52/58/1065475258.db2.gz BGNRPMXLFHWKGH-HXUWFJFHSA-N 0 0 461.632 3.183 20 0 JGADRN Cc1ccc(OCCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cnccn2)cc1 ZINC001492410860 1065475286 /nfs/dbraw/zinc/47/52/86/1065475286.db2.gz DIIUVIHNSKADLX-UHFFFAOYSA-N 0 0 458.526 3.129 20 0 JGADRN Cc1ccc(OCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3C[C@]2(C)CCC3)cc1 ZINC001492412037 1065476262 /nfs/dbraw/zinc/47/62/62/1065476262.db2.gz KSYXWUNVCPKVCD-YYDVJCTNSA-N 0 0 461.632 3.435 20 0 JGADRN Cc1ccc(OCCCCn2c([C@@H]3CCCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC001492411817 1065476280 /nfs/dbraw/zinc/47/62/80/1065476280.db2.gz JJRYPCOMIVQOJL-QFIPXVFZSA-N 0 0 491.658 3.159 20 0 JGADRN Cc1ccc(OCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C(C)C)C2)cc1 ZINC001492412664 1065477255 /nfs/dbraw/zinc/47/72/55/1065477255.db2.gz WGCPLWGCNSNTIE-QUCCMNQESA-N 0 0 481.688 3.244 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@H](O)C2)cc1 ZINC001492418112 1065477804 /nfs/dbraw/zinc/47/78/04/1065477804.db2.gz CCVVDJVBFNQLCR-PMACEKPBSA-N 0 0 464.570 3.300 20 0 JGADRN Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CCCOc1ccc(C)cc1 ZINC001492418034 1065477810 /nfs/dbraw/zinc/47/78/10/1065477810.db2.gz ZCKWDLRJZFIENI-UHFFFAOYSA-N 0 0 468.646 3.181 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N(C)C)cc1 ZINC001492418351 1065478760 /nfs/dbraw/zinc/47/87/60/1065478760.db2.gz HEDOHFVIQYYWCO-UHFFFAOYSA-N 0 0 489.418 3.348 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2COCCO2)cc1 ZINC001492418818 1065479286 /nfs/dbraw/zinc/47/92/86/1065479286.db2.gz NHCIRCQQXISLSL-LJQANCHMSA-N 0 0 490.402 3.285 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC=CCO2)cc1 ZINC001492418800 1065479565 /nfs/dbraw/zinc/47/95/65/1065479565.db2.gz MOWNAWJJJCCESC-DHLKQENFSA-N 0 0 456.587 3.487 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cc(Br)cn3C)n2Cc2cnnn2C)cc1 ZINC001492419206 1065480283 /nfs/dbraw/zinc/48/02/83/1065480283.db2.gz RXNAPZJYSDUDFI-UHFFFAOYSA-N 0 0 485.390 3.047 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001492419242 1065480343 /nfs/dbraw/zinc/48/03/43/1065480343.db2.gz SXHKFKXQCADPAE-QFIPXVFZSA-N 0 0 487.402 3.338 20 0 JGADRN Cc1ccc(OCCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCNC(=O)C2)cc1 ZINC001492419163 1065480436 /nfs/dbraw/zinc/48/04/36/1065480436.db2.gz REIAPZBQQUOBRX-FQEVSTJZSA-N 0 0 484.601 3.064 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCCC2)cc1 ZINC001492420613 1065481102 /nfs/dbraw/zinc/48/11/02/1065481102.db2.gz GWVIFSSMGBGSKG-HXUWFJFHSA-N 0 0 476.643 3.353 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCS2(=O)=O)cc1 ZINC001492421236 1065482124 /nfs/dbraw/zinc/48/21/24/1065482124.db2.gz ONIUKJLECGOVBC-OAQYLSRUSA-N 0 0 469.611 3.439 20 0 JGADRN Cc1nc(C)c(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(C)cc2)s1 ZINC001492421481 1065482167 /nfs/dbraw/zinc/48/21/67/1065482167.db2.gz PVZHIAXXKRFIGA-IBGZPJMESA-N 0 0 489.667 3.320 20 0 JGADRN Cc1ccc(OCCn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001492425366 1065484566 /nfs/dbraw/zinc/48/45/66/1065484566.db2.gz YLGKICDHQUTYNA-FQEVSTJZSA-N 0 0 498.628 3.347 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001492425975 1065484643 /nfs/dbraw/zinc/48/46/43/1065484643.db2.gz FAHMRKKYFRJREH-HXUWFJFHSA-N 0 0 455.603 3.254 20 0 JGADRN Cc1ccc(OCCn2c(Cc3cccnc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cc1 ZINC001492426336 1065485256 /nfs/dbraw/zinc/48/52/56/1065485256.db2.gz GSSFGQUHIUUMLI-QFIPXVFZSA-N 0 0 462.598 3.392 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H]2CCOC2)cc1 ZINC001492426752 1065485314 /nfs/dbraw/zinc/48/53/14/1065485314.db2.gz JRNKXANXRIQCTJ-TZIWHRDSSA-N 0 0 487.601 3.199 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(=O)N3CCCC3)n2CCCC(C)(C)C)cc1 ZINC001492429088 1065486766 /nfs/dbraw/zinc/48/67/66/1065486766.db2.gz DWJHGHZCOPQCFS-UHFFFAOYSA-N 0 0 490.674 3.064 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3ccccn3)n2CCC2(F)CCC2)cc1 ZINC001492428958 1065486822 /nfs/dbraw/zinc/48/68/22/1065486822.db2.gz CRLIHCHUYKUSQC-UHFFFAOYSA-N 0 0 472.590 3.346 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCC[C@@H]2C)cc1 ZINC001492429713 1065488139 /nfs/dbraw/zinc/48/81/39/1065488139.db2.gz LFLMKXOMKXXEJO-FPOVZHCZSA-N 0 0 468.627 3.499 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccnc3)n2C[C@H]2CC2(C)C)cc1 ZINC001492432029 1065488999 /nfs/dbraw/zinc/48/89/99/1065488999.db2.gz WIVIWQXJEPLZFU-LJQANCHMSA-N 0 0 454.600 3.109 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@H](C)CC(N)=O)cc1 ZINC001492432280 1065489738 /nfs/dbraw/zinc/48/97/38/1065489738.db2.gz ZCULVOKUPLEQSN-QRVBRYPASA-N 0 0 486.617 3.136 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(CC(C)C)nnc2N2CCc3ccc(Cl)nc3C2)s1 ZINC001492436762 1065491003 /nfs/dbraw/zinc/49/10/03/1065491003.db2.gz LBEVBJCWTZMVRN-UHFFFAOYSA-N 0 0 495.074 3.436 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(N3CCc4ccc(O)cc4C3)nnc2C(C)(C)C)s1 ZINC001492436320 1065491140 /nfs/dbraw/zinc/49/11/40/1065491140.db2.gz GXAORAVFLQXKST-UHFFFAOYSA-N 0 0 475.640 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MSGWMFYCLGOQPO-GOSISDBHSA-N 0 0 462.641 3.237 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCCCCO)cc1 ZINC001492460113 1065508493 /nfs/dbraw/zinc/50/84/93/1065508493.db2.gz PDFCHEYFOBHXTJ-QFIPXVFZSA-N 0 0 464.657 3.056 20 0 JGADRN Cc1noc(C)c1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001492460259 1065508746 /nfs/dbraw/zinc/50/87/46/1065508746.db2.gz RZXUAQLAEXQHPT-UHFFFAOYSA-N 0 0 490.655 3.050 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@H]2CCO[C@H](C)C2)cc1 ZINC001492460523 1065509329 /nfs/dbraw/zinc/50/93/29/1065509329.db2.gz ZKTMZXVZGYPYKI-MOPGFXCFSA-N 0 0 493.699 3.212 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC001492461838 1065510631 /nfs/dbraw/zinc/51/06/31/1065510631.db2.gz IQLRMADKHBHZMK-GCJKJVERSA-N 0 0 499.603 3.493 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC2(O)CCCCC2)cc1 ZINC001492465738 1065512520 /nfs/dbraw/zinc/51/25/20/1065512520.db2.gz ITDPVQSZPPAQCZ-UHFFFAOYSA-N 0 0 493.699 3.046 20 0 JGADRN 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COC[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnccc2OC)C1 ZINC001301232585 1066051398 /nfs/dbraw/zinc/05/13/98/1066051398.db2.gz QBRWSEPTTFKKON-NTKDMRAZSA-N 0 0 459.591 3.024 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3sccc3c2)C1 ZINC001301232487 1066051507 /nfs/dbraw/zinc/05/15/07/1066051507.db2.gz PHXFOIUJKOEDNB-FUHWJXTLSA-N 0 0 477.656 3.404 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3sccc3c2)C1 ZINC001301232490 1066051573 /nfs/dbraw/zinc/05/15/73/1066051573.db2.gz PHXFOIUJKOEDNB-SJLPKXTDSA-N 0 0 477.656 3.404 20 0 JGADRN COC[C@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(F)(F)F)cc2)C1 ZINC001301232481 1066051601 /nfs/dbraw/zinc/05/16/01/1066051601.db2.gz PGFXFBKGBKEXEK-RDJZCZTQSA-N 0 0 489.564 3.208 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCO2)C1 ZINC001301233208 1066051872 /nfs/dbraw/zinc/05/18/72/1066051872.db2.gz RYNSDMUJISVXTE-NVXWUHKLSA-N 0 0 452.397 3.478 20 0 JGADRN COc1cc(CC(=O)N2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)cc(OC)c1O ZINC001301233316 1066051912 /nfs/dbraw/zinc/05/19/12/1066051912.db2.gz WYSFDZMSYPRFKU-UHFFFAOYSA-N 0 0 459.543 3.232 20 0 JGADRN COC1(c2noc(CC3CCN(C(=O)CCCNC(=O)c4ccccc4)CC3)n2)CCCC1 ZINC001301234174 1066052400 /nfs/dbraw/zinc/05/24/00/1066052400.db2.gz WAXGYAWVNYXQNY-UHFFFAOYSA-N 0 0 454.571 3.477 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(=O)N(C)C)c2)C1 ZINC001301235718 1066052989 /nfs/dbraw/zinc/05/29/89/1066052989.db2.gz JURVSIICKGGKIW-HXUWFJFHSA-N 0 0 450.587 3.287 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCC2CC2)C1 ZINC001301235786 1066053417 /nfs/dbraw/zinc/05/34/17/1066053417.db2.gz DEBZSYICFQEPIG-QGZVFWFLSA-N 0 0 461.994 3.386 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)c2ccn[nH]2)C1 ZINC001301236387 1066053901 /nfs/dbraw/zinc/05/39/01/1066053901.db2.gz ICWZULKWDQKLPO-HNNXBMFYSA-N 0 0 475.956 3.144 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C1 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KKSUQUNPZQNVED-RXVVDRJESA-N 0 0 459.566 3.180 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCNC(=O)Cc2cccc(F)c2)C1 ZINC001301249762 1066066746 /nfs/dbraw/zinc/06/67/46/1066066746.db2.gz XTOIGFGTPJFYKP-JOCHJYFZSA-N 0 0 480.588 3.015 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(COc3cccc(C)c3)n2CCC2(O)CCOCC2)C1 ZINC001301250683 1066067590 /nfs/dbraw/zinc/06/75/90/1066067590.db2.gz GAIFBJWKSSSSCJ-OAQYLSRUSA-N 0 0 458.603 3.350 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCC(=O)N(C)C)C1 ZINC001301250984 1066068026 /nfs/dbraw/zinc/06/80/26/1066068026.db2.gz JXCDWFSSZVABFJ-UXHICEINSA-N 0 0 492.665 3.471 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2CCOCC2)C1 ZINC001301251069 1066068361 /nfs/dbraw/zinc/06/83/61/1066068361.db2.gz LLPDYPRUMHXUFW-FQEVSTJZSA-N 0 0 475.609 3.360 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)COC2)C1 ZINC001301251219 1066068492 /nfs/dbraw/zinc/06/84/92/1066068492.db2.gz MINFLGLDBNLPKO-QRVBRYPASA-N 0 0 463.623 3.338 20 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467.010 3.424 20 0 JGADRN COCCCn1c(COc2ccccc2F)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301657991 1066527389 /nfs/dbraw/zinc/52/73/89/1066527389.db2.gz SKCAJAPOKTWVRX-KRWDZBQOSA-N 0 0 463.554 3.478 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC(F)(F)Br ZINC001302096718 1066527424 /nfs/dbraw/zinc/52/74/24/1066527424.db2.gz IIZMPGACMZCVPA-OLZOCXBDSA-N 0 0 455.344 3.241 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC(F)(F)Br ZINC001302096717 1066527654 /nfs/dbraw/zinc/52/76/54/1066527654.db2.gz IIZMPGACMZCVPA-CHWSQXEVSA-N 0 0 455.344 3.241 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCOC(C)(C)C2)n1Cc1ccsc1Br ZINC001302096782 1066528065 /nfs/dbraw/zinc/52/80/65/1066528065.db2.gz IUWRHHIAWUSIBZ-ZDUSSCGKSA-N 0 0 459.410 3.490 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCc1cccc2[nH]ccc21 ZINC001302097119 1066528915 /nfs/dbraw/zinc/52/89/15/1066528915.db2.gz JXEGMXPLKRTFAO-KXBFYZLASA-N 0 0 467.492 3.494 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCOC(C)(C)[C@H]2C)n1Cc1ccnc(C(F)(F)F)c1 ZINC001302097065 1066528949 /nfs/dbraw/zinc/52/89/49/1066528949.db2.gz JHYBRIXSVFKRIR-LSDHHAIUSA-N 0 0 457.497 3.468 20 0 JGADRN COCCCNC(=O)[C@H](C)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)c2cccc(C)c2)CC1 ZINC001301659781 1066529028 /nfs/dbraw/zinc/52/90/28/1066529028.db2.gz LYIWQFHRVADLGX-VXKWHMMOSA-N 0 0 484.689 3.351 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCOC(C)(C)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302097568 1066529395 /nfs/dbraw/zinc/52/93/95/1066529395.db2.gz MKRIPOGHUBEJCH-HRAATJIYSA-N 0 0 472.508 3.067 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCOC(C)(C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302097571 1066529551 /nfs/dbraw/zinc/52/95/51/1066529551.db2.gz MKRIPOGHUBEJCH-KKSFZXQISA-N 0 0 472.508 3.067 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001302097248 1066529568 /nfs/dbraw/zinc/52/95/68/1066529568.db2.gz KEYZPHBMSUHMQN-DAYGRLMNSA-N 0 0 476.471 3.376 20 0 JGADRN CC(=O)N1CC[C@@H](CN(C)c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)c2ccco2)C1 ZINC001301659984 1066529728 /nfs/dbraw/zinc/52/97/28/1066529728.db2.gz HJNIEBSSTLAMPM-BKMJKUGQSA-N 0 0 465.598 3.259 20 0 JGADRN CC(=O)N1CC[C@H](CN(C)c2nnc(COc3cc(C)ccc3C)n2CCc2ccncc2)C1 ZINC001301659943 1066529743 /nfs/dbraw/zinc/52/97/43/1066529743.db2.gz HBCLXDQRCSUTIB-HSZRJFAPSA-N 0 0 462.598 3.416 20 0 JGADRN COCCCNC(=O)[C@@H](C)N1CCN(c2nnc(C3CCC3)n2Cc2cccc(Cl)c2C)CC1 ZINC001301659911 1066529785 /nfs/dbraw/zinc/52/97/85/1066529785.db2.gz FRENWYWPUCSYKC-LJQANCHMSA-N 0 0 489.064 3.219 20 0 JGADRN COCCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C)no2)CC1 ZINC001301660232 1066530279 /nfs/dbraw/zinc/53/02/79/1066530279.db2.gz IUIUAGKTSPVXJC-UHFFFAOYSA-N 0 0 472.977 3.312 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCOC(C)(C)C2)n1C[C@@]1(C)OCCc2sccc21 ZINC001302097989 1066530363 /nfs/dbraw/zinc/53/03/63/1066530363.db2.gz OADMXMXYWFLHRA-OPAMFIHVSA-N 0 0 450.605 3.167 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCc1cccc(F)c1F ZINC001302098368 1066530677 /nfs/dbraw/zinc/53/06/77/1066530677.db2.gz PDAOBFPIVQCANX-CJNGLKHVSA-N 0 0 464.435 3.291 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302098479 1066530707 /nfs/dbraw/zinc/53/07/07/1066530707.db2.gz PXBRFKTUMHWISK-DOMZBBRYSA-N 0 0 483.413 3.232 20 0 JGADRN CC(C)(C)c1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCOCCCO ZINC001302098420 1066530803 /nfs/dbraw/zinc/53/08/03/1066530803.db2.gz HKPNCMATWGCGAG-GOSISDBHSA-N 0 0 467.408 3.315 20 0 JGADRN COCCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCO2)CC1 ZINC001301660719 1066530993 /nfs/dbraw/zinc/53/09/93/1066530993.db2.gz LEKDAQWFPLWGST-SFHVURJKSA-N 0 0 479.984 3.286 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302098481 1066531105 /nfs/dbraw/zinc/53/11/05/1066531105.db2.gz PXBRFKTUMHWISK-SWLSCSKDSA-N 0 0 483.413 3.232 20 0 JGADRN CC(C)(C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H](c1cccs1)N1CCOCC1 ZINC001302098657 1066531119 /nfs/dbraw/zinc/53/11/19/1066531119.db2.gz IVSGHLYJIPFLEF-WBVHZDCISA-N 0 0 473.565 3.478 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001302098825 1066531221 /nfs/dbraw/zinc/53/12/21/1066531221.db2.gz QVGFDWNGYUYOIX-RDJZCZTQSA-N 0 0 469.533 3.298 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCc1c[nH]c2ccccc12 ZINC001302098885 1066531248 /nfs/dbraw/zinc/53/12/48/1066531248.db2.gz RFSXTYXBCAEUOX-DNVCBOLYSA-N 0 0 467.492 3.494 20 0 JGADRN COCCCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001301661003 1066531571 /nfs/dbraw/zinc/53/15/71/1066531571.db2.gz OMLRXSDTVLXTNL-UHFFFAOYSA-N 0 0 483.661 3.204 20 0 JGADRN COCCCNC(=O)[C@@H](C)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001301661282 1066531861 /nfs/dbraw/zinc/53/18/61/1066531861.db2.gz UIXMKXHBRBFMAA-FGZHOGPDSA-N 0 0 497.688 3.138 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 ZINC001302099268 1066531905 /nfs/dbraw/zinc/53/19/05/1066531905.db2.gz UCVSHGCRZGRPKD-DYESRHJHSA-N 0 0 483.617 3.395 20 0 JGADRN CC(C)(C)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CCC(=O)N1CCOCC1 ZINC001302099423 1066531919 /nfs/dbraw/zinc/53/19/19/1066531919.db2.gz RKPDAOIYILYPNM-IBGZPJMESA-N 0 0 493.555 3.004 20 0 JGADRN COCCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001301661056 1066531965 /nfs/dbraw/zinc/53/19/65/1066531965.db2.gz QHFWOAYPESPZLX-VQTJNVASSA-N 0 0 485.629 3.138 20 0 JGADRN CC(C)(C)c1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1CCC(=O)N1CCOCC1 ZINC001302099424 1066532446 /nfs/dbraw/zinc/53/24/46/1066532446.db2.gz RKPDAOIYILYPNM-LJQANCHMSA-N 0 0 493.555 3.004 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001302099582 1066532459 /nfs/dbraw/zinc/53/24/59/1066532459.db2.gz UZJIWZDWTAUAQR-VAMGGRTRSA-N 0 0 471.602 3.059 20 0 JGADRN COCCCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)C(C)C)CC1 ZINC001301661588 1066532980 /nfs/dbraw/zinc/53/29/80/1066532980.db2.gz SZUVYAHRPQCPBN-DEOSSOPVSA-N 0 0 478.037 3.375 20 0 JGADRN CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)c2ccccc2)C1 ZINC001301661809 1066533442 /nfs/dbraw/zinc/53/34/42/1066533442.db2.gz NROBUJWIUMMYDM-HXUWFJFHSA-N 0 0 471.556 3.236 20 0 JGADRN CC(C)(C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1C[C@](C)(O)c1ccco1 ZINC001302100685 1066534149 /nfs/dbraw/zinc/53/41/49/1066534149.db2.gz AJHUXSFNRSVLJB-NRFANRHFSA-N 0 0 450.605 3.014 20 0 JGADRN CC(C)(C)c1nnc(N2CCO[C@H](c3nccs3)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001302100684 1066534157 /nfs/dbraw/zinc/53/41/57/1066534157.db2.gz AILZBBRTYKEZFV-SFHVURJKSA-N 0 0 475.640 3.203 20 0 JGADRN CC(C)(C)c1nnc(N2CCO[C@H](c3ccccc3F)C2)n1C[C@@H]1CCCCS1(=O)=O ZINC001302100946 1066534367 /nfs/dbraw/zinc/53/43/67/1066534367.db2.gz GFVUURWAXUKKKZ-LPHOPBHVSA-N 0 0 450.580 3.260 20 0 JGADRN CC(C)(C)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302101333 1066534686 /nfs/dbraw/zinc/53/46/86/1066534686.db2.gz 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Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2ccc(C)nc2)c1 ZINC001304167925 1067214201 /nfs/dbraw/zinc/21/42/01/1067214201.db2.gz XCKPTXYUIGUWEJ-VQTJNVASSA-N 0 0 471.627 3.483 20 0 JGADRN CC(C)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCn1cc(Br)cn1 ZINC001302576230 1067214180 /nfs/dbraw/zinc/21/41/80/1067214180.db2.gz XGKXJXOEVKYWLA-UHFFFAOYSA-N 0 0 461.364 3.468 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H]2N(C)CCCC2(C)C)c1 ZINC001304167805 1067214290 /nfs/dbraw/zinc/21/42/90/1067214290.db2.gz SRLNMWUBFMSZOE-IFMALSPDSA-N 0 0 491.702 3.464 20 0 JGADRN CS[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001302576495 1067214314 /nfs/dbraw/zinc/21/43/14/1067214314.db2.gz DZJACRAHPBSPEB-SJLPKXTDSA-N 0 0 491.662 3.243 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001304168224 1067214822 /nfs/dbraw/zinc/21/48/22/1067214822.db2.gz BHTLQYMCWYJOHP-VWLOTQADSA-N 0 0 455.603 3.205 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H](C(C)C)N2CCOCC2)c1 ZINC001304168349 1067215073 /nfs/dbraw/zinc/21/50/73/1067215073.db2.gz FSZRSBJAGPBGGN-ISKFKSNPSA-N 0 0 471.646 3.303 20 0 JGADRN CS[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)C(C)(C)C ZINC001302577490 1067215177 /nfs/dbraw/zinc/21/51/77/1067215177.db2.gz JFOLMOYJEKISFA-RTBURBONSA-N 0 0 474.679 3.039 20 0 JGADRN CS[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCNC(=O)C(C)C)C(C)(C)C ZINC001302577668 1067215552 /nfs/dbraw/zinc/21/55/52/1067215552.db2.gz KBMXVRUKDKLIKH-LJQANCHMSA-N 0 0 499.685 3.178 20 0 JGADRN CS[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1)C(C)(C)C ZINC001302577669 1067215566 /nfs/dbraw/zinc/21/55/66/1067215566.db2.gz CMVCOJUMJDFSCN-JTDSTZFVSA-N 0 0 459.616 3.283 20 0 JGADRN Cc1nc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCS(C)(=O)=O)sc1C ZINC001304168896 1067216171 /nfs/dbraw/zinc/21/61/71/1067216171.db2.gz MKBIFCSACNODGT-UHFFFAOYSA-N 0 0 463.629 3.076 20 0 JGADRN CS[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)C(C)(C)C ZINC001302578073 1067216206 /nfs/dbraw/zinc/21/62/06/1067216206.db2.gz DHNWQFOLWHBPPV-UONOGXRCSA-N 0 0 475.644 3.354 20 0 JGADRN CS[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(F)cn2)CC1)C(C)(C)C ZINC001302578669 1067216318 /nfs/dbraw/zinc/21/63/18/1067216318.db2.gz MNIIWGFQOXJBQE-GOSISDBHSA-N 0 0 456.595 3.374 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001304169363 1067216687 /nfs/dbraw/zinc/21/66/87/1067216687.db2.gz SQTZZRYPFOUPAM-PMACEKPBSA-N 0 0 464.632 3.017 20 0 JGADRN CS[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1)C(C)(C)C ZINC001302579088 1067216816 /nfs/dbraw/zinc/21/68/16/1067216816.db2.gz IFMAEZMVOLFSPP-XJKSGUPXSA-N 0 0 475.084 3.351 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCN2CCOC[C@@H]2C)c1 ZINC001304169543 1067217087 /nfs/dbraw/zinc/21/70/87/1067217087.db2.gz VIGUOZPKLNIEAQ-VXKWHMMOSA-N 0 0 457.619 3.057 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)CCc3nccs3)n2CC2(O)CCOCC2)c1 ZINC001304169423 1067217155 /nfs/dbraw/zinc/21/71/55/1067217155.db2.gz UCPLSMPMUXLLOC-UHFFFAOYSA-N 0 0 457.600 3.151 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCN2CCOC[C@H]2C)c1 ZINC001304169544 1067217204 /nfs/dbraw/zinc/21/72/04/1067217204.db2.gz VIGUOZPKLNIEAQ-YADHBBJMSA-N 0 0 457.619 3.057 20 0 JGADRN CS[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1)C(C)(C)C ZINC001302579271 1067217262 /nfs/dbraw/zinc/21/72/62/1067217262.db2.gz HVDZHEFECIURRU-IRXDYDNUSA-N 0 0 465.693 3.436 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCNS(C)(=O)=O)c1 ZINC001304169940 1067217665 /nfs/dbraw/zinc/21/76/65/1067217665.db2.gz ZMSKVHPQGZPNIY-IBGZPJMESA-N 0 0 463.648 3.428 20 0 JGADRN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC2(S(C)(=O)=O)CCC2)no1 ZINC001304169953 1067217678 /nfs/dbraw/zinc/21/76/78/1067217678.db2.gz XXPAUCSIAKQGIO-UHFFFAOYSA-N 0 0 473.599 3.374 20 0 JGADRN CS[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)C(C)(C)C ZINC001302579663 1067217808 /nfs/dbraw/zinc/21/78/08/1067217808.db2.gz LIXSENANVWSPRN-VOLVWJTLSA-N 0 0 465.664 3.065 20 0 JGADRN CS[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001302580407 1067218242 /nfs/dbraw/zinc/21/82/42/1067218242.db2.gz NAXSJZCZXIQVNN-SIGJXTPFSA-N 0 0 478.663 3.110 20 0 JGADRN CS[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1)C(C)(C)C ZINC001302580599 1067218587 /nfs/dbraw/zinc/21/85/87/1067218587.db2.gz NNFUJGOUKVHYSV-ICSRJNTNSA-N 0 0 495.715 3.283 20 0 JGADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001304170688 1067218724 /nfs/dbraw/zinc/21/87/24/1067218724.db2.gz AAEJCQWNUCNIPG-INDMIFKZSA-N 0 0 469.623 3.410 20 0 JGADRN CS[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)C(C)(C)C ZINC001302580440 1067218682 /nfs/dbraw/zinc/21/86/82/1067218682.db2.gz VWNYFIDCIPSGFQ-RTBURBONSA-N 0 0 469.663 3.352 20 0 JGADRN CS[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)C(C)(C)C ZINC001302580646 1067218736 /nfs/dbraw/zinc/21/87/36/1067218736.db2.gz NZBQPUGLKNQLAC-YFWNDERMSA-N 0 0 463.673 3.381 20 0 JGADRN CS[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O)C(C)(C)C ZINC001302580905 1067219181 /nfs/dbraw/zinc/21/91/81/1067219181.db2.gz BPPJUDITDFSVTB-BEFAXECRSA-N 0 0 482.672 3.363 20 0 JGADRN CCOc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)ccc1OCc1cccnc1 ZINC001304171275 1067219172 /nfs/dbraw/zinc/21/91/72/1067219172.db2.gz JAIBSDPQYZUYDI-DENIHFKCSA-N 0 0 471.554 3.423 20 0 JGADRN CS[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(NC(C)=O)CC1)C(C)(C)C ZINC001302581052 1067219215 /nfs/dbraw/zinc/21/92/15/1067219215.db2.gz YXUFRUIDGMSPPJ-HXUWFJFHSA-N 0 0 497.669 3.075 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@]4(CCCOC4)C3)n2CCCCCO)c1 ZINC001304171562 1067219244 /nfs/dbraw/zinc/21/92/44/1067219244.db2.gz RXPHIEKPPNWYGM-BWKNWUBXSA-N 0 0 458.603 3.411 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2CCCCCO)c1 ZINC001304171565 1067219253 /nfs/dbraw/zinc/21/92/53/1067219253.db2.gz RXPHIEKPPNWYGM-SQJMNOBHSA-N 0 0 458.603 3.411 20 0 JGADRN CS[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1)C(C)(C)C ZINC001302581151 1067219530 /nfs/dbraw/zinc/21/95/30/1067219530.db2.gz POPQXNIAYXKJMJ-AWEZNQCLSA-N 0 0 463.570 3.185 20 0 JGADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)c(C)o1 ZINC001304171783 1067219631 /nfs/dbraw/zinc/21/96/31/1067219631.db2.gz TVFDRZLRWYXSDG-QYBDOPJKSA-N 0 0 481.597 3.258 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@H](C4CC4)C3)n2CCC(=O)NC(C)C)c1 ZINC001304171624 1067219712 /nfs/dbraw/zinc/21/97/12/1067219712.db2.gz SMVQMUWQOUBFLB-KNQAVFIVSA-N 0 0 455.603 3.392 20 0 JGADRN CS[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1)C(C)(C)C ZINC001302581259 1067219696 /nfs/dbraw/zinc/21/96/96/1067219696.db2.gz RKNRTILHNXYMOD-CTNGQTDRSA-N 0 0 475.707 3.232 20 0 JGADRN Cc1ccoc1Cn1c(COc2cc(C)cc(C)c2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001304172060 1067220046 /nfs/dbraw/zinc/22/00/46/1067220046.db2.gz VMUHXDXOLNJKLK-UHFFFAOYSA-N 0 0 458.584 3.437 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H]4NC(=O)CC[C@H]4C3)n2CCCOCC(C)C)c1 ZINC001304171799 1067220055 /nfs/dbraw/zinc/22/00/55/1067220055.db2.gz TXJVDNZOEHTGGU-UNMCSNQZSA-N 0 0 455.603 3.251 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)n2CCC(=O)NC(C)C)c1 ZINC001304172118 1067220134 /nfs/dbraw/zinc/22/01/34/1067220134.db2.gz WISHOKKJDFTZJP-UZINWLIJSA-N 0 0 485.629 3.161 20 0 JGADRN CS[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C(C)(C)C ZINC001302581724 1067220158 /nfs/dbraw/zinc/22/01/58/1067220158.db2.gz TZROOLBWOCUIPY-RBSFLKMASA-N 0 0 463.570 3.065 20 0 JGADRN CS[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)C(C)(C)C ZINC001302582088 1067220546 /nfs/dbraw/zinc/22/05/46/1067220546.db2.gz FAIQUHVCVZBPDW-IBGZPJMESA-N 0 0 490.649 3.035 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCc2nccs2)c1 ZINC001304172398 1067220614 /nfs/dbraw/zinc/22/06/14/1067220614.db2.gz XXIYPDKAIAXELW-SFHVURJKSA-N 0 0 454.600 3.230 20 0 JGADRN CS[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)(C)C ZINC001302582186 1067220577 /nfs/dbraw/zinc/22/05/77/1067220577.db2.gz WISKZUGKYAGUSD-YESZJQIVSA-N 0 0 480.679 3.453 20 0 JGADRN CS[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001302582195 1067220583 /nfs/dbraw/zinc/22/05/83/1067220583.db2.gz WRLYIENIJKXCIB-BRWVUGGUSA-N 0 0 480.679 3.453 20 0 JGADRN CS[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)CC1)C(C)(C)C ZINC001302582030 1067220646 /nfs/dbraw/zinc/22/06/46/1067220646.db2.gz DRJJFIJZQAJOCY-GOSISDBHSA-N 0 0 450.630 3.063 20 0 JGADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001304172225 1067220692 /nfs/dbraw/zinc/22/06/92/1067220692.db2.gz VWQXCOMRQFXLDM-IAGOWNOFSA-N 0 0 452.349 3.223 20 0 JGADRN CS[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1)C(C)(C)C ZINC001302582200 1067220940 /nfs/dbraw/zinc/22/09/40/1067220940.db2.gz WRMCJPMOBHILSL-QZTJIDSGSA-N 0 0 477.704 3.094 20 0 JGADRN CS[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1)C(C)(C)C ZINC001302582919 1067221438 /nfs/dbraw/zinc/22/14/38/1067221438.db2.gz XLRUKVMSQDYBEO-GOSISDBHSA-N 0 0 482.658 3.473 20 0 JGADRN CS[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1)C(C)(C)C ZINC001302582346 1067221551 /nfs/dbraw/zinc/22/15/51/1067221551.db2.gz VAJCMUIPJGCGGT-GOSISDBHSA-N 0 0 489.690 3.250 20 0 JGADRN CS[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC001302582896 1067221598 /nfs/dbraw/zinc/22/15/98/1067221598.db2.gz XAXMGKKHJFXHSN-LJQANCHMSA-N 0 0 498.653 3.024 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@H]2CCCO2)c1 ZINC001304173949 1067221955 /nfs/dbraw/zinc/22/19/55/1067221955.db2.gz IUQGBZLIQRJVGG-QZTJIDSGSA-N 0 0 481.519 3.158 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H]2CCCO2)c1 ZINC001304173950 1067221990 /nfs/dbraw/zinc/22/19/90/1067221990.db2.gz IUQGBZLIQRJVGG-ROUUACIJSA-N 0 0 481.519 3.158 20 0 JGADRN CS[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)C(C)(C)C ZINC001302583186 1067222027 /nfs/dbraw/zinc/22/20/27/1067222027.db2.gz ZAXGBNWRNRWWMG-LXTVHRRPSA-N 0 0 467.652 3.394 20 0 JGADRN CS[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1)C(C)(C)C ZINC001302583121 1067222043 /nfs/dbraw/zinc/22/20/43/1067222043.db2.gz YEDKRQBFMDZVMU-INDMIFKZSA-N 0 0 487.736 3.309 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@](C)(O)c2ccco2)c1 ZINC001304174717 1067222859 /nfs/dbraw/zinc/22/28/59/1067222859.db2.gz KCIOEPTYOIWFGA-SANMLTNESA-N 0 0 481.597 3.457 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001304174610 1067222889 /nfs/dbraw/zinc/22/28/89/1067222889.db2.gz KBKGTOTWNFJODL-CLOONOSVSA-N 0 0 455.603 3.117 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCSCCCO)c1 ZINC001304174527 1067222952 /nfs/dbraw/zinc/22/29/52/1067222952.db2.gz HAPLUARXALGSQV-UHFFFAOYSA-N 0 0 488.576 3.483 20 0 JGADRN CS[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)(C)C ZINC001302584374 1067223234 /nfs/dbraw/zinc/22/32/34/1067223234.db2.gz VYIBKMMGVVIAMX-QGZVFWFLSA-N 0 0 489.049 3.358 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2Cc2nccc(C(F)F)n2)c1 ZINC001304174842 1067223239 /nfs/dbraw/zinc/22/32/39/1067223239.db2.gz OLMQNOFLWXKDSU-UHFFFAOYSA-N 0 0 485.539 3.342 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2cc(C(C)(C)C)no2)c1 ZINC001304175174 1067223722 /nfs/dbraw/zinc/22/37/22/1067223722.db2.gz RVYDLOOPRCMDJR-UHFFFAOYSA-N 0 0 496.612 3.278 20 0 JGADRN CCCOc1ccccc1C(=O)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC001302586690 1067223782 /nfs/dbraw/zinc/22/37/82/1067223782.db2.gz XLGVPQQFWAIFOR-QGZVFWFLSA-N 0 0 450.582 3.079 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 ZINC001304175197 1067223802 /nfs/dbraw/zinc/22/38/02/1067223802.db2.gz SCIDAZJUIDMEMI-SFHVURJKSA-N 0 0 454.543 3.287 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 ZINC001304175158 1067223830 /nfs/dbraw/zinc/22/38/30/1067223830.db2.gz RTEMSGQXPVNBEB-KRWDZBQOSA-N 0 0 454.543 3.144 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC001304175259 1067224224 /nfs/dbraw/zinc/22/42/24/1067224224.db2.gz SRMDZTDSHRTPQA-LEWJYISDSA-N 0 0 485.629 3.150 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001304175583 1067224230 /nfs/dbraw/zinc/22/42/30/1067224230.db2.gz VPAWXWQWTOKUIO-MHZLTWQESA-N 0 0 499.656 3.276 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001304175582 1067224276 /nfs/dbraw/zinc/22/42/76/1067224276.db2.gz VPAWXWQWTOKUIO-HHHXNRCGSA-N 0 0 499.656 3.276 20 0 JGADRN CS[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C(C)(C)C ZINC001302587517 1067224341 /nfs/dbraw/zinc/22/43/41/1067224341.db2.gz BQWSSFSYXOEWEN-SFHVURJKSA-N 0 0 485.745 3.474 20 0 JGADRN CS[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1)C(C)(C)C ZINC001302587559 1067224360 /nfs/dbraw/zinc/22/43/60/1067224360.db2.gz CHFQAKOEODSPDO-ZWKOTPCHSA-N 0 0 457.604 3.311 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@H]2CCO[C@H](C)C2)c1 ZINC001304175261 1067224295 /nfs/dbraw/zinc/22/42/95/1067224295.db2.gz SRMDZTDSHRTPQA-RTWAWAEBSA-N 0 0 485.629 3.150 20 0 JGADRN CS[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CN2CCOCC2)C1)C(C)(C)C ZINC001302587814 1067224711 /nfs/dbraw/zinc/22/47/11/1067224711.db2.gz GCOLYQUGIUUKNB-LEWJYISDSA-N 0 0 458.676 3.200 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC(F)(F)Br)c1 ZINC001304175852 1067225155 /nfs/dbraw/zinc/22/51/55/1067225155.db2.gz XFZPHLRBOVCXAU-HNNXBMFYSA-N 0 0 493.374 3.085 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CCOCC(F)F)c1 ZINC001304176044 1067225242 /nfs/dbraw/zinc/22/52/42/1067225242.db2.gz FYFNALFIOHGTNW-UHFFFAOYSA-N 0 0 477.556 3.204 20 0 JGADRN CS[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302588172 1067225172 /nfs/dbraw/zinc/22/51/72/1067225172.db2.gz JILZIENLUCKZIP-IFMALSPDSA-N 0 0 499.729 3.175 20 0 JGADRN O=C(CS(=O)(=O)Cc1ccc(Br)cc1)Nc1ccnc(N2CCCCC2)c1 ZINC001304176618 1067225645 /nfs/dbraw/zinc/22/56/45/1067225645.db2.gz QFJRBWXZYPMCFS-UHFFFAOYSA-N 0 0 452.374 3.388 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC2(O)CCC2)c1 ZINC001304176833 1067226021 /nfs/dbraw/zinc/22/60/21/1067226021.db2.gz LEMLEZFNXRIUDR-OAQYLSRUSA-N 0 0 469.630 3.378 20 0 JGADRN CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CCOCC1 ZINC001302589703 1067226709 /nfs/dbraw/zinc/22/67/09/1067226709.db2.gz AKEWGBJFDPXZPY-UHFFFAOYSA-N 0 0 465.570 3.169 20 0 JGADRN CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(n3cc(Cl)cn3)CC2)CCC1 ZINC001302590385 1067227053 /nfs/dbraw/zinc/22/70/53/1067227053.db2.gz GTAKZNJJZZVMBS-UHFFFAOYSA-N 0 0 452.028 3.393 20 0 JGADRN CSC1(Cn2c(C(=O)NC(C)C)nnc2N(CCC(F)(F)F)CC2CC2)CCOCC1 ZINC001302590401 1067227096 /nfs/dbraw/zinc/22/70/96/1067227096.db2.gz HBRRMGZTLKMTMA-UHFFFAOYSA-N 0 0 463.570 3.497 20 0 JGADRN CS[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC(C)C)CC1)C(C)(C)C ZINC001302590022 1067227148 /nfs/dbraw/zinc/22/71/48/1067227148.db2.gz DBJXTGBKNLVEMA-OAQYLSRUSA-N 0 0 477.723 3.464 20 0 JGADRN CS[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O)C(C)(C)C ZINC001302590281 1067227181 /nfs/dbraw/zinc/22/71/81/1067227181.db2.gz GTMZUEPFMAOCMJ-IBGZPJMESA-N 0 0 478.688 3.113 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCn2cc(Cl)cn2)c1 ZINC001304178205 1067227324 /nfs/dbraw/zinc/22/73/24/1067227324.db2.gz FMPVWRMRJHGTOR-FQEVSTJZSA-N 0 0 493.033 3.037 20 0 JGADRN CS[C@H](Cn1c(N(C)Cc2cnn(C)c2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)(C)C ZINC001302590657 1067228074 /nfs/dbraw/zinc/22/80/74/1067228074.db2.gz HYPPYKVULYLIDX-XMSQKQJNSA-N 0 0 450.653 3.466 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCCCCCC3)n2CCCn2cc(CO)nn2)c1 ZINC001304178909 1067228239 /nfs/dbraw/zinc/22/82/39/1067228239.db2.gz OGWUSOGIBJYYLR-UHFFFAOYSA-N 0 0 453.591 3.419 20 0 JGADRN CS[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C(C)(C)C ZINC001302592067 1067229607 /nfs/dbraw/zinc/22/96/07/1067229607.db2.gz VJHOVSOYDQJBNO-ZNMIVQPWSA-N 0 0 463.570 3.412 20 0 JGADRN CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3ccccc3F)C2)CCOCC1 ZINC001302592108 1067229653 /nfs/dbraw/zinc/22/96/53/1067229653.db2.gz RSBDLZGNLSBYMM-IBGZPJMESA-N 0 0 477.606 3.046 20 0 JGADRN CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C(C)(C)C ZINC001302592065 1067229691 /nfs/dbraw/zinc/22/96/91/1067229691.db2.gz VJHOVSOYDQJBNO-RBSFLKMASA-N 0 0 463.570 3.412 20 0 JGADRN CSC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001302592168 1067229746 /nfs/dbraw/zinc/22/97/46/1067229746.db2.gz UMROMOLXRQYCRO-UHFFFAOYSA-N 0 0 458.632 3.394 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(OC(C)C)nc2)c1 ZINC001304181259 1067229734 /nfs/dbraw/zinc/22/97/34/1067229734.db2.gz ARIDZSXKIWSWSQ-FQEVSTJZSA-N 0 0 478.597 3.371 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCC2(O)CCC2)c1 ZINC001304181374 1067230208 /nfs/dbraw/zinc/23/02/08/1067230208.db2.gz CMSGAYXRNBUZFL-UHFFFAOYSA-N 0 0 455.603 3.084 20 0 JGADRN CS[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)C(C)(C)C ZINC001302592292 1067230244 /nfs/dbraw/zinc/23/02/44/1067230244.db2.gz PCDOQRNAGCNQIL-PWHSHALESA-N 0 0 462.664 3.302 20 0 JGADRN CS[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)C(C)(C)C ZINC001302592294 1067230254 /nfs/dbraw/zinc/23/02/54/1067230254.db2.gz PCDOQRNAGCNQIL-YYDVJCTNSA-N 0 0 462.664 3.302 20 0 JGADRN CSC1(Cn2c(C(C)C)nnc2N2CCC(C(=O)Nc3nncs3)CC2)CCOCC1 ZINC001302592330 1067230260 /nfs/dbraw/zinc/23/02/60/1067230260.db2.gz XATWFBXBWHETDA-UHFFFAOYSA-N 0 0 465.649 3.020 20 0 JGADRN CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](c3nc(C)cs3)C2)CCOCC1 ZINC001302592785 1067230530 /nfs/dbraw/zinc/23/05/30/1067230530.db2.gz ZVMONRSTRHKGRS-KRWDZBQOSA-N 0 0 478.688 3.477 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001304181864 1067230614 /nfs/dbraw/zinc/23/06/14/1067230614.db2.gz GJBQIRNMYDSYCU-MOPGFXCFSA-N 0 0 494.562 3.025 20 0 JGADRN CC(C)c1nnc(N(C)CCCOc2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001302592980 1067231146 /nfs/dbraw/zinc/23/11/46/1067231146.db2.gz IGLBFXOVXLVFAK-MBSDFSHPSA-N 0 0 464.632 3.261 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(c4ncccc4C(N)=O)CC3)n2CCC(C)(F)F)c1 ZINC001304182001 1067231179 /nfs/dbraw/zinc/23/11/79/1067231179.db2.gz HLOUSYHKIULIBB-UHFFFAOYSA-N 0 0 499.566 3.340 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CCc2ccsc2)c1 ZINC001304182071 1067231240 /nfs/dbraw/zinc/23/12/40/1067231240.db2.gz IIJFVBIELODHHW-UHFFFAOYSA-N 0 0 496.681 3.425 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCS(=O)(=O)CC2CC2)c1 ZINC001304182220 1067231643 /nfs/dbraw/zinc/23/16/43/1067231643.db2.gz KXHHPPYQGJSUNC-JOCHJYFZSA-N 0 0 476.643 3.160 20 0 JGADRN CC(C)c1nnc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCCn2ccnc21 ZINC001302593968 1067232048 /nfs/dbraw/zinc/23/20/48/1067232048.db2.gz RVIQLEWGBCSIPA-IBGZPJMESA-N 0 0 486.642 3.484 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2CCSCC(C)C)c1 ZINC001304182771 1067232409 /nfs/dbraw/zinc/23/24/09/1067232409.db2.gz QXRJBUHTNYPLJX-NRFANRHFSA-N 0 0 459.660 3.384 20 0 JGADRN CC(C)c1nnc(N(C)CCCc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001302594457 1067232488 /nfs/dbraw/zinc/23/24/88/1067232488.db2.gz VWCLCHUITOLZPI-UHFFFAOYSA-N 0 0 461.614 3.214 20 0 JGADRN CC(C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001302595166 1067232653 /nfs/dbraw/zinc/23/26/53/1067232653.db2.gz HGKTVPUUAUXNNB-PZJWPPBQSA-N 0 0 491.706 3.012 20 0 JGADRN CC(C)c1nnc(N(C)CCOCc2ccccc2)n1C[C@]1(N2CCOCC2)CCSC1 ZINC001302594242 1067232903 /nfs/dbraw/zinc/23/29/03/1067232903.db2.gz BPLMRWUGJKMSTD-XMMPIXPASA-N 0 0 459.660 3.262 20 0 JGADRN 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/nfs/dbraw/zinc/39/23/76/1067392376.db2.gz MEOWAMZIFURHNV-QFBILLFUSA-N 0 0 489.671 3.097 20 0 JGADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 ZINC001304350918 1067392531 /nfs/dbraw/zinc/39/25/31/1067392531.db2.gz VABWZLWBTUUJQQ-IRXDYDNUSA-N 0 0 454.962 3.490 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001302804884 1067392735 /nfs/dbraw/zinc/39/27/35/1067392735.db2.gz FFNLBOJCKDDJRW-GMAHTHKFSA-N 0 0 483.661 3.345 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3cc(=O)c4ccccc4[nH]3)cn2)C1 ZINC001302805334 1067393463 /nfs/dbraw/zinc/39/34/63/1067393463.db2.gz BAXRPMPBIOHXLI-SFHVURJKSA-N 0 0 451.527 3.227 20 0 JGADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(=O)n1C ZINC001304352820 1067393626 /nfs/dbraw/zinc/39/36/26/1067393626.db2.gz VMCUZMAHIUMYGJ-KBXCAEBGSA-N 0 0 465.451 3.296 20 0 JGADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(=O)n1C ZINC001304352789 1067393655 /nfs/dbraw/zinc/39/36/55/1067393655.db2.gz LJUZCMCNUSZSQU-LJQANCHMSA-N 0 0 495.628 3.080 20 0 JGADRN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(CN=S2(=O)CCCC2)c1 ZINC001302806314 1067393720 /nfs/dbraw/zinc/39/37/20/1067393720.db2.gz TVEBBIYHNUDONC-OAQYLSRUSA-N 0 0 456.547 3.305 20 0 JGADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)CCCS(C)(=O)=O)c(OCC(F)(F)F)c1 ZINC001304353352 1067393901 /nfs/dbraw/zinc/39/39/01/1067393901.db2.gz RFEJPJNQQRBWJB-UHFFFAOYSA-N 0 0 485.532 3.442 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(N(C)CCNS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 ZINC001302806522 1067393998 /nfs/dbraw/zinc/39/39/98/1067393998.db2.gz MHSCITRISFBBCF-UNMCSNQZSA-N 0 0 489.686 3.185 20 0 JGADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(N(C)CCNS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 ZINC001302806521 1067394030 /nfs/dbraw/zinc/39/40/30/1067394030.db2.gz MHSCITRISFBBCF-RBBKRZOGSA-N 0 0 489.686 3.185 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N(C)CCNS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 ZINC001302806520 1067394041 /nfs/dbraw/zinc/39/40/41/1067394041.db2.gz MHSCITRISFBBCF-IRLDBZIGSA-N 0 0 489.686 3.185 20 0 JGADRN Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(Br)cs2)c(=O)n1C ZINC001304353578 1067394031 /nfs/dbraw/zinc/39/40/31/1067394031.db2.gz WXZMIUUAJLZYAW-UHFFFAOYSA-N 0 0 488.415 3.194 20 0 JGADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cn1 ZINC001304354992 1067394532 /nfs/dbraw/zinc/39/45/32/1067394532.db2.gz RZRDOXJZZSDRRK-XLIONFOSSA-N 0 0 483.617 3.111 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001302807273 1067394656 /nfs/dbraw/zinc/39/46/56/1067394656.db2.gz PSYFGJPIWMZPLN-ONTIZHBOSA-N 0 0 495.715 3.147 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cn1 ZINC001304354993 1067394879 /nfs/dbraw/zinc/39/48/79/1067394879.db2.gz RZRDOXJZZSDRRK-YLJYHZDGSA-N 0 0 483.617 3.111 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1 ZINC001302807585 1067394965 /nfs/dbraw/zinc/39/49/65/1067394965.db2.gz RPXGTTLLPUUIAL-ZVDOUQERSA-N 0 0 464.607 3.407 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001302808076 1067395891 /nfs/dbraw/zinc/39/58/91/1067395891.db2.gz USZSEIYOGUHPOX-NCYKPQTJSA-N 0 0 468.664 3.374 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001302808071 1067395961 /nfs/dbraw/zinc/39/59/61/1067395961.db2.gz USZSEIYOGUHPOX-CGXNFDGLSA-N 0 0 468.664 3.374 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001302808097 1067395993 /nfs/dbraw/zinc/39/59/93/1067395993.db2.gz VBAVGBBENYWQHW-OFVILXPXSA-N 0 0 468.646 3.410 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)c(=O)n1C ZINC001304356353 1067396390 /nfs/dbraw/zinc/39/63/90/1067396390.db2.gz FVUSJIYRPUYNCG-QGZVFWFLSA-N 0 0 492.521 3.136 20 0 JGADRN Cc1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCOC[C@@H]2C)cc1 ZINC001304356945 1067396555 /nfs/dbraw/zinc/39/65/55/1067396555.db2.gz OHXGENBRCGAECR-AZUAARDMSA-N 0 0 457.575 3.168 20 0 JGADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001302808955 1067397258 /nfs/dbraw/zinc/39/72/58/1067397258.db2.gz YEYWZOVWFGVDNV-DENIHFKCSA-N 0 0 495.715 3.242 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001302809017 1067397628 /nfs/dbraw/zinc/39/76/28/1067397628.db2.gz YVXUSWBIGWAOGK-RDGATRHJSA-N 0 0 488.721 3.452 20 0 JGADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)c(OCC(F)(F)F)c1 ZINC001304358433 1067397558 /nfs/dbraw/zinc/39/75/58/1067397558.db2.gz FSIIQEGEQQVTGC-NRFANRHFSA-N 0 0 453.509 3.476 20 0 JGADRN COc1cccc([C@@H](C)CCCC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC001304359074 1067397937 /nfs/dbraw/zinc/39/79/37/1067397937.db2.gz IWCYPILIXQUXDN-WMQCIHAUSA-N 0 0 480.627 3.214 20 0 JGADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC(C(=O)NC3CCCCC3)CC2)c(=O)n1C ZINC001304359217 1067397956 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DXKFZHFSWUBMON-UHFFFAOYSA-N 0 0 498.678 3.381 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H]3C(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001304437559 1067516944 /nfs/dbraw/zinc/51/69/44/1067516944.db2.gz DMSPQUQNIRTDLF-SIKLNZKXSA-N 0 0 464.657 3.053 20 0 JGADRN FC(F)(F)SCCn1c(CCc2ccccc2)nnc1N1CCN(c2cnccn2)CC1 ZINC001302944109 1067517068 /nfs/dbraw/zinc/51/70/68/1067517068.db2.gz BRZDIAJMMPNROI-UHFFFAOYSA-N 0 0 463.533 3.433 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001302944130 1067517130 /nfs/dbraw/zinc/51/71/30/1067517130.db2.gz PDBXKLCLMAHGLD-UHFFFAOYSA-N 0 0 480.657 3.437 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC2(O)CCOCC2)cc1 ZINC001304437713 1067517206 /nfs/dbraw/zinc/51/72/06/1067517206.db2.gz GXUXIGSEYNTWGY-UHFFFAOYSA-N 0 0 487.670 3.115 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001302944512 1067517418 /nfs/dbraw/zinc/51/74/18/1067517418.db2.gz RYSQLKKZDRPBDY-UHFFFAOYSA-N 0 0 454.619 3.090 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCNS(C)(=O)=O)cc1 ZINC001304437903 1067517588 /nfs/dbraw/zinc/51/75/88/1067517588.db2.gz LBEDYRNDTJFBGL-HNNXBMFYSA-N 0 0 477.578 3.207 20 0 JGADRN FC(F)C(F)(F)CN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(Cl)nc2)CC1 ZINC001302944883 1067517630 /nfs/dbraw/zinc/51/76/30/1067517630.db2.gz KVCSGCFRCMXHCS-UHFFFAOYSA-N 0 0 469.874 3.459 20 0 JGADRN CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001302944861 1067517663 /nfs/dbraw/zinc/51/76/63/1067517663.db2.gz CWAJKPWOBKDEIX-NRFANRHFSA-N 0 0 496.700 3.322 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001304438196 1067518051 /nfs/dbraw/zinc/51/80/51/1067518051.db2.gz WTSYBBBBJRPPJS-UHFFFAOYSA-N 0 0 486.686 3.346 20 0 JGADRN Cc1nnc(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)s1 ZINC001304438307 1067518277 /nfs/dbraw/zinc/51/82/77/1067518277.db2.gz MZQQNHJMCKSINZ-INIZCTEOSA-N 0 0 457.629 3.179 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001304438283 1067518304 /nfs/dbraw/zinc/51/83/04/1067518304.db2.gz MMILVGUWTIDWGS-UGKGYDQZSA-N 0 0 466.673 3.299 20 0 JGADRN Cc1ccc(SCCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C(N)=O)C2)cc1 ZINC001304438403 1067518373 /nfs/dbraw/zinc/51/83/73/1067518373.db2.gz KMKSYHJWLYSZLW-OAHLLOKOSA-N 0 0 489.443 3.458 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCCC(=O)NC2CC2)cc1 ZINC001304438374 1067518394 /nfs/dbraw/zinc/51/83/94/1067518394.db2.gz LUZXNNKBPQIRFG-UHFFFAOYSA-N 0 0 484.670 3.242 20 0 JGADRN Cc1cnn([C@@H]2CCCN(c3nnc(CSc4ccc(C)cc4)n3CC(=O)N(C)C)C2)c1 ZINC001304438682 1067519096 /nfs/dbraw/zinc/51/90/96/1067519096.db2.gz PAHSGMDHUWVSTR-LJQANCHMSA-N 0 0 453.616 3.313 20 0 JGADRN Cc1ccc(SCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(F)F)C2)cc1 ZINC001304439042 1067519511 /nfs/dbraw/zinc/51/95/11/1067519511.db2.gz SUXQVBHCEQXAFM-HZPDHXFCSA-N 0 0 473.615 3.471 20 0 JGADRN 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ZINC001304440115 1067520779 /nfs/dbraw/zinc/52/07/79/1067520779.db2.gz FJBMSPNDMTWQQQ-UHFFFAOYSA-N 0 0 475.684 3.240 20 0 JGADRN Cc1ccc(SCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCCCC2)cc1 ZINC001304440520 1067521150 /nfs/dbraw/zinc/52/11/50/1067521150.db2.gz GTEOYZIZTLMCAH-FQEVSTJZSA-N 0 0 479.672 3.092 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccn(Cc2ccccc2)n1 ZINC001302947808 1067521239 /nfs/dbraw/zinc/52/12/39/1067521239.db2.gz VZUJFOAWNWXFIH-UHFFFAOYSA-N 0 0 478.645 3.400 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCOC[C@@H]3C)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001304440633 1067521511 /nfs/dbraw/zinc/52/15/11/1067521511.db2.gz KPPJXJRKIYUEKY-RBBKRZOGSA-N 0 0 459.660 3.461 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCOCC4(CCC4)C3)n2CC(=O)NCC(F)F)cc1 ZINC001304440619 1067521521 /nfs/dbraw/zinc/52/15/21/1067521521.db2.gz KICXMMZGBDFCTE-UHFFFAOYSA-N 0 0 465.570 3.267 20 0 JGADRN Cc1ccc(SCCn2c(-c3cccc(C)n3)nnc2N(C)CC(=O)N2CCOCC2)cc1 ZINC001304440741 1067521531 /nfs/dbraw/zinc/52/15/31/1067521531.db2.gz LABGFPKMWUYIPE-UHFFFAOYSA-N 0 0 466.611 3.044 20 0 JGADRN CC(C)Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCOc1ccc2c(c1)OCO2 ZINC001302948022 1067521592 /nfs/dbraw/zinc/52/15/92/1067521592.db2.gz PYOXWOUXLFWHEI-MRXNPFEDSA-N 0 0 469.508 3.357 20 0 JGADRN FC(F)CN1CCN(c2nnc(Cc3ccsc3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001302947953 1067521720 /nfs/dbraw/zinc/52/17/20/1067521720.db2.gz LPTFWOKGWWKETK-UHFFFAOYSA-N 0 0 468.961 3.445 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC001304441454 1067522173 /nfs/dbraw/zinc/52/21/73/1067522173.db2.gz VJJQXLNZNMLANZ-UNMCSNQZSA-N 0 0 459.660 3.461 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccncc2Cl)cc1 ZINC001304441484 1067522211 /nfs/dbraw/zinc/52/22/11/1067522211.db2.gz WAAXMPYBIAQBQL-UHFFFAOYSA-N 0 0 464.016 3.210 20 0 JGADRN CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C/C=C\c1ccccc1 ZINC001302948610 1067522479 /nfs/dbraw/zinc/52/24/79/1067522479.db2.gz YTXUWIKZJBDCNI-RYGYDFEPSA-N 0 0 450.631 3.323 20 0 JGADRN Cc1cccc(C)c1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001304441992 1067522647 /nfs/dbraw/zinc/52/26/47/1067522647.db2.gz COXYDEYGLWPQGW-UHFFFAOYSA-N 0 0 470.618 3.190 20 0 JGADRN CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC[C@H](C)c1ccccc1 ZINC001302949097 1067522745 /nfs/dbraw/zinc/52/27/45/1067522745.db2.gz GWZPLTZOLIKYSC-FQEVSTJZSA-N 0 0 461.614 3.491 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(N(C)CC(C)(C)CN3CCOCC3)nnc2C(C)(C)C)c1 ZINC001304442045 1067523041 /nfs/dbraw/zinc/52/30/41/1067523041.db2.gz FPPXQHNKMBKQKB-UHFFFAOYSA-N 0 0 470.662 3.109 20 0 JGADRN FC(F)COCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOCC2(CC2)C1 ZINC001302949247 1067523069 /nfs/dbraw/zinc/52/30/69/1067523069.db2.gz XPALLLDOPUSWCW-UHFFFAOYSA-N 0 0 460.323 3.324 20 0 JGADRN FC(F)C(F)(F)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=CCC1 ZINC001302949769 1067523518 /nfs/dbraw/zinc/52/35/18/1067523518.db2.gz OJJTTYHGIAPQPY-UHFFFAOYSA-N 0 0 469.487 3.135 20 0 JGADRN FC(F)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001302950072 1067523963 /nfs/dbraw/zinc/52/39/63/1067523963.db2.gz QNARYUTWAKGUOR-IAGOWNOFSA-N 0 0 474.478 3.009 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N(C)CCc2nccs2)c1 ZINC001304442446 1067523882 /nfs/dbraw/zinc/52/38/82/1067523882.db2.gz KKTBQPNBDXRYKJ-UHFFFAOYSA-N 0 0 461.595 3.138 20 0 JGADRN CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CCCC1CCOCC1 ZINC001302950590 1067524247 /nfs/dbraw/zinc/52/42/47/1067524247.db2.gz ZVOUOOPLLXYSKE-UHFFFAOYSA-N 0 0 454.619 3.109 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(N3CCS[C@H](C)[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001304442789 1067524345 /nfs/dbraw/zinc/52/43/45/1067524345.db2.gz ODEGXGXPNLGHCK-FHAGJXEFSA-N 0 0 487.670 3.387 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(N3CC[C@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)c1 ZINC001304442702 1067524451 /nfs/dbraw/zinc/52/44/51/1067524451.db2.gz MCAUWAOSAWGLGU-IBGZPJMESA-N 0 0 470.618 3.417 20 0 JGADRN FC(F)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001302950616 1067524521 /nfs/dbraw/zinc/52/45/21/1067524521.db2.gz VQJVONWFTSBWGX-IKGGRYGDSA-N 0 0 481.510 3.307 20 0 JGADRN COc1cccc(C2=NO[C@@H](C(=O)NC3(c4ccccc4)CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001302951372 1067524605 /nfs/dbraw/zinc/52/46/05/1067524605.db2.gz RKHPBQWUQNZRDZ-OAQYLSRUSA-N 0 0 451.523 3.451 20 0 JGADRN Cc1ccc2c(c1)CCN2c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001304442807 1067524836 /nfs/dbraw/zinc/52/48/36/1067524836.db2.gz JXUCUTSJWZXPDP-WMZOPIPTSA-N 0 0 454.575 3.393 20 0 JGADRN CC(C)Cc1nnc(N2CCN(c3cnccn3)CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001302954011 1067525586 /nfs/dbraw/zinc/52/55/86/1067525586.db2.gz BMMFVHKTRCOAOP-HXUWFJFHSA-N 0 0 484.649 3.240 20 0 JGADRN FC(F)Oc1cccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@@H]2COCCO2)c1 ZINC001302954036 1067525706 /nfs/dbraw/zinc/52/57/06/1067525706.db2.gz GNNMBYMCFRAQDP-MRXNPFEDSA-N 0 0 471.302 3.451 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCC(OC3CCCC3)CC2)c1 ZINC001304443699 1067525792 /nfs/dbraw/zinc/52/57/92/1067525792.db2.gz TXPRIQRIWCMHFF-UHFFFAOYSA-N 0 0 482.629 3.083 20 0 JGADRN Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccc(C)c2)N2CCOCC2)o1 ZINC001304443977 1067526035 /nfs/dbraw/zinc/52/60/35/1067526035.db2.gz ZBUSMBPWWAWZSS-HSZRJFAPSA-N 0 0 480.613 3.336 20 0 JGADRN Cc1cccc(C)c1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 ZINC001304444274 1067526446 /nfs/dbraw/zinc/52/64/46/1067526446.db2.gz DXJHUIBWEVRPCF-GCJKJVERSA-N 0 0 463.673 3.081 20 0 JGADRN Cc1cccc(C)c1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 ZINC001304444264 1067526465 /nfs/dbraw/zinc/52/64/65/1067526465.db2.gz DVJSKFXESYGDEO-UHFFFAOYSA-N 0 0 471.403 3.184 20 0 JGADRN FC(F)Oc1cc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)ccn1 ZINC001302954514 1067526541 /nfs/dbraw/zinc/52/65/41/1067526541.db2.gz LSSIKEWWNUWXBA-OAHLLOKOSA-N 0 0 470.402 3.076 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001304445048 1067526720 /nfs/dbraw/zinc/52/67/20/1067526720.db2.gz ARQWDIYIZCLLJI-KRWDZBQOSA-N 0 0 478.519 3.435 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001304445049 1067526797 /nfs/dbraw/zinc/52/67/97/1067526797.db2.gz ARQWDIYIZCLLJI-QGZVFWFLSA-N 0 0 478.519 3.435 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(F)(F)F)CC1 ZINC001304445069 1067526813 /nfs/dbraw/zinc/52/68/13/1067526813.db2.gz BDWMVIOSGGNQFS-UHFFFAOYSA-N 0 0 478.519 3.435 20 0 JGADRN Cc1cccc(C)c1CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304446597 1067527429 /nfs/dbraw/zinc/52/74/29/1067527429.db2.gz FJJCATORVPMODY-FQEVSTJZSA-N 0 0 482.629 3.363 20 0 JGADRN Cc1cccc(C)c1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001304446556 1067527449 /nfs/dbraw/zinc/52/74/49/1067527449.db2.gz FBURUFGAGBCPGL-QUCCMNQESA-N 0 0 453.612 3.336 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C)CC1 ZINC001304446201 1067527460 /nfs/dbraw/zinc/52/74/60/1067527460.db2.gz ILELUHGGHNPUFM-GOSISDBHSA-N 0 0 459.616 3.062 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CC1CC(F)(F)C1 ZINC001304446234 1067527468 /nfs/dbraw/zinc/52/74/68/1067527468.db2.gz IUSGJJDDXWSMKM-UHFFFAOYSA-N 0 0 460.529 3.138 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(C(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001304446165 1067527516 /nfs/dbraw/zinc/52/75/16/1067527516.db2.gz BCUJYFMUKHUERY-LJQANCHMSA-N 0 0 486.617 3.387 20 0 JGADRN CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001302955689 1067528064 /nfs/dbraw/zinc/52/80/64/1067528064.db2.gz OOMVTRNFTARUBW-UHFFFAOYSA-N 0 0 466.051 3.281 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001304447306 1067528333 /nfs/dbraw/zinc/52/83/33/1067528333.db2.gz QPTXLOMMUCAEMF-ROUUACIJSA-N 0 0 482.610 3.139 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001304447529 1067528690 /nfs/dbraw/zinc/52/86/90/1067528690.db2.gz QGQWFIJPRZTSNN-KRWDZBQOSA-N 0 0 481.988 3.341 20 0 JGADRN Cc1cccc(C)c1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001304447728 1067529009 /nfs/dbraw/zinc/52/90/09/1067529009.db2.gz JLBLMCDFBSAQPW-VQTJNVASSA-N 0 0 463.648 3.457 20 0 JGADRN Cc1cccc(C)c1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(C)C)C1 ZINC001304447726 1067529099 /nfs/dbraw/zinc/52/90/99/1067529099.db2.gz JLBLMCDFBSAQPW-UXHICEINSA-N 0 0 463.648 3.457 20 0 JGADRN Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001304448054 1067529306 /nfs/dbraw/zinc/52/93/06/1067529306.db2.gz VPWSOTVAMJBFDG-UHFFFAOYSA-N 0 0 452.603 3.461 20 0 JGADRN Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CCCC(=O)N(C)C)CC1 ZINC001304448203 1067529577 /nfs/dbraw/zinc/52/95/77/1067529577.db2.gz MUPUGTKFSPZEDE-UHFFFAOYSA-N 0 0 497.688 3.113 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001304448269 1067529588 /nfs/dbraw/zinc/52/95/88/1067529588.db2.gz ZISLFKZIZHXXNY-SFHVURJKSA-N 0 0 477.569 3.185 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001304448148 1067529603 /nfs/dbraw/zinc/52/96/03/1067529603.db2.gz WUTINRAJWZFOAO-LWYYNNOASA-N 0 0 488.658 3.159 20 0 JGADRN Cc1cccc(C)c1OCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001304448188 1067529646 /nfs/dbraw/zinc/52/96/46/1067529646.db2.gz MLXYUVXRTBLENP-QFIPXVFZSA-N 0 0 487.402 3.433 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CCc1ccc(Cl)s1 ZINC001302958465 1067529794 /nfs/dbraw/zinc/52/97/94/1067529794.db2.gz CSSKDUZVQIJJAM-UHFFFAOYSA-N 0 0 453.056 3.081 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001304448377 1067530029 /nfs/dbraw/zinc/53/00/29/1067530029.db2.gz PYPOHFOHUMHWHR-WOJBJXKFSA-N 0 0 457.575 3.015 20 0 JGADRN Cc1cccc(C)c1OCCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001304448436 1067530068 /nfs/dbraw/zinc/53/00/68/1067530068.db2.gz CIPZEGDOJIVOOD-FQEVSTJZSA-N 0 0 475.659 3.177 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1Cc1cccc(N2CCOCC2)c1 ZINC001302958614 1067530109 /nfs/dbraw/zinc/53/01/09/1067530109.db2.gz FTEULRALSNFZNF-OAQYLSRUSA-N 0 0 468.646 3.055 20 0 JGADRN Cc1cccc(C)c1OCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@H](C)C1 ZINC001304448895 1067530704 /nfs/dbraw/zinc/53/07/04/1067530704.db2.gz WFVAEXSOPOWXTC-LJQANCHMSA-N 0 0 450.543 3.236 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCc1ccc(F)cc1Cl ZINC001302959397 1067531163 /nfs/dbraw/zinc/53/11/63/1067531163.db2.gz UBLSNIKDJGCUBS-UHFFFAOYSA-N 0 0 477.028 3.256 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H]1CCCSC1 ZINC001302959534 1067531365 /nfs/dbraw/zinc/53/13/65/1067531365.db2.gz VYTHKKUKRAECHX-FQEVSTJZSA-N 0 0 462.708 3.191 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2C(F)(F)C23CCC3)n1 ZINC001304451009 1067532574 /nfs/dbraw/zinc/53/25/74/1067532574.db2.gz LRPGJJFQQRZVEB-HLLBOEOZSA-N 0 0 453.559 3.342 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001302961350 1067532666 /nfs/dbraw/zinc/53/26/66/1067532666.db2.gz LQYLAARRQWSFQK-INIZCTEOSA-N 0 0 474.572 3.416 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2cccc(NC(=O)C3CCC3)c2)n1 ZINC001304451590 1067532878 /nfs/dbraw/zinc/53/28/78/1067532878.db2.gz JICKSFACTSCPTN-SFHVURJKSA-N 0 0 496.637 3.305 20 0 JGADRN CC(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1C[C@@](C)(O)c1cccs1 ZINC001302961930 1067533107 /nfs/dbraw/zinc/53/31/07/1067533107.db2.gz QHWPMSHACSRUSG-XMMPIXPASA-N 0 0 471.602 3.434 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(NC(=O)c3ccco3)cc2)n1 ZINC001304452414 1067533242 /nfs/dbraw/zinc/53/32/42/1067533242.db2.gz UMGNYGJGHLVNOC-KRWDZBQOSA-N 0 0 473.537 3.242 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)n2CC2(S(C)(=O)=O)CC2)n1 ZINC001304452372 1067533369 /nfs/dbraw/zinc/53/33/69/1067533369.db2.gz UAEDDECBSYDAQE-HYJWCJBQSA-N 0 0 487.651 3.161 20 0 JGADRN Fc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCCn2ccnn2)c(Br)c1 ZINC001302961898 1067533302 /nfs/dbraw/zinc/53/33/02/1067533302.db2.gz DHXIZJMVQAROHP-UHFFFAOYSA-N 0 0 456.270 3.374 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001302962505 1067533612 /nfs/dbraw/zinc/53/36/12/1067533612.db2.gz XQWMXMOELLLLTN-OPYAIIAOSA-N 0 0 459.557 3.278 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001302962564 1067533655 /nfs/dbraw/zinc/53/36/55/1067533655.db2.gz ZHJCTKXDGRHAHQ-OAQYLSRUSA-N 0 0 480.579 3.062 20 0 JGADRN Fc1ccc(Br)c(-c2nnc(N3CCOCC3)n2CCn2cc(Cl)cn2)c1 ZINC001302962650 1067533687 /nfs/dbraw/zinc/53/36/87/1067533687.db2.gz JRGATZFJQNKTDG-UHFFFAOYSA-N 0 0 455.719 3.233 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001302962563 1067533747 /nfs/dbraw/zinc/53/37/47/1067533747.db2.gz ZHJCTKXDGRHAHQ-NRFANRHFSA-N 0 0 480.579 3.062 20 0 JGADRN COc1cccc(C2=NO[C@H](C(=O)NCCN=[S@@](=O)(c3ccccc3)C(F)(F)F)C2)c1 ZINC001302962737 1067533970 /nfs/dbraw/zinc/53/39/70/1067533970.db2.gz GJTIEPUBBXOVOA-FZEVHQGJSA-N 0 0 455.458 3.351 20 0 JGADRN CCn1cc(-c2nn(C)cc2C(=O)NCCN=[S@](=O)(c2ccccc2)C(F)(F)F)cn1 ZINC001302962740 1067533986 /nfs/dbraw/zinc/53/39/86/1067533986.db2.gz GKKHHUJUKKKPPM-HKBQPEDESA-N 0 0 454.478 3.080 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccccc3)n2CCS(=O)(=O)N2CCSCC2)n1 ZINC001304453055 1067534077 /nfs/dbraw/zinc/53/40/77/1067534077.db2.gz YBPVXIAFXSNVFJ-LJQANCHMSA-N 0 0 486.667 3.225 20 0 JGADRN Fc1ccc(Cc2nnc(N3CCC(F)(F)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001302962677 1067534103 /nfs/dbraw/zinc/53/41/03/1067534103.db2.gz KHAUGDIZPWGGCU-MRXNPFEDSA-N 0 0 463.426 3.117 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CCc2ccc(Br)cc2)n1 ZINC001304453176 1067534372 /nfs/dbraw/zinc/53/43/72/1067534372.db2.gz ZKUAQSDEEVUDKE-HNNXBMFYSA-N 0 0 457.376 3.354 20 0 JGADRN Cc1cccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnn(C)c2)n1 ZINC001304453531 1067534697 /nfs/dbraw/zinc/53/46/97/1067534697.db2.gz ZHBFSZMJEVABCP-UHFFFAOYSA-N 0 0 466.590 3.266 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CCOc3ccccc32)n1 ZINC001304453525 1067534737 /nfs/dbraw/zinc/53/47/37/1067534737.db2.gz ZCICRIBQSJCWQK-MSOLQXFVSA-N 0 0 455.584 3.084 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CC2(C(N)=O)CCCC2)n1 ZINC001304453394 1067534763 /nfs/dbraw/zinc/53/47/63/1067534763.db2.gz OMQWWCNZGPFMDY-UHFFFAOYSA-N 0 0 475.597 3.386 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H]2CCOc3ccccc32)n1 ZINC001304453527 1067534822 /nfs/dbraw/zinc/53/48/22/1067534822.db2.gz ZCICRIBQSJCWQK-ROUUACIJSA-N 0 0 455.584 3.084 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2CCNC(=O)C(C)(C)C)n1 ZINC001304453446 1067534840 /nfs/dbraw/zinc/53/48/40/1067534840.db2.gz PYIGPPHUMSZMBE-UHFFFAOYSA-N 0 0 485.539 3.164 20 0 JGADRN CN1CCC(=O)Nc2cc(C(=O)NCCN=[S@](=O)(c3ccccc3)C(F)(F)F)ccc21 ZINC001302964572 1067534864 /nfs/dbraw/zinc/53/48/64/1067534864.db2.gz UYTXOFKTTYCQQU-HKBQPEDESA-N 0 0 454.474 3.242 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)n2CCCN2CCOC2=O)n1 ZINC001304453724 1067535217 /nfs/dbraw/zinc/53/52/17/1067535217.db2.gz VRFVKRJXKCDKRB-FQEVSTJZSA-N 0 0 491.596 3.147 20 0 JGADRN CC(C)Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001302965516 1067535822 /nfs/dbraw/zinc/53/58/22/1067535822.db2.gz FPBOGNTYLOVSQQ-IEBWSBKVSA-N 0 0 467.586 3.265 20 0 JGADRN CC(C)Cc1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001302965553 1067535845 /nfs/dbraw/zinc/53/58/45/1067535845.db2.gz HBAHOMLKADMMJG-UHFFFAOYSA-N 0 0 464.636 3.114 20 0 JGADRN Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2CC2(CS(C)(=O)=O)CC2)n1 ZINC001304454727 1067535807 /nfs/dbraw/zinc/53/58/07/1067535807.db2.gz MSDGUMRDXCNZJR-OAHLLOKOSA-N 0 0 460.629 3.170 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2C[C@@]2(C)CN(C)C2=O)n1 ZINC001304454869 1067535916 /nfs/dbraw/zinc/53/59/16/1067535916.db2.gz SIQICCXADJHOSA-HXUWFJFHSA-N 0 0 459.348 3.119 20 0 JGADRN COC(=O)c1ncoc1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001302966209 1067536225 /nfs/dbraw/zinc/53/62/25/1067536225.db2.gz MHYWNYJEIPKQQM-UHFFFAOYSA-N 0 0 456.295 3.273 20 0 JGADRN CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001302966072 1067536272 /nfs/dbraw/zinc/53/62/72/1067536272.db2.gz YEMQYCTYRDKHMR-UHFFFAOYSA-N 0 0 496.681 3.376 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001304455044 1067536323 /nfs/dbraw/zinc/53/63/23/1067536323.db2.gz OONHUDHZFNMFJD-UHFFFAOYSA-N 0 0 472.597 3.385 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2C[C@]2(C)CCCO2)n1 ZINC001304455692 1067536659 /nfs/dbraw/zinc/53/66/59/1067536659.db2.gz HULXDIFYRYOQQV-QHCPKHFHSA-N 0 0 455.584 3.258 20 0 JGADRN Fc1ccc(Cc2nnc(N3CCN(c4cnccn4)CC3)n2CCOCC(F)(F)C(F)F)cc1 ZINC001302966606 1067536782 /nfs/dbraw/zinc/53/67/82/1067536782.db2.gz CHXHIJLPUQMAHZ-UHFFFAOYSA-N 0 0 497.472 3.042 20 0 JGADRN Fc1ccc(Cc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@H]2CC=CCO2)cc1 ZINC001302967532 1067537142 /nfs/dbraw/zinc/53/71/42/1067537142.db2.gz WWULLCFYLOVGCT-GOSISDBHSA-N 0 0 471.474 3.376 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CC(=O)N2CCOCC2)n1 ZINC001304456567 1067537176 /nfs/dbraw/zinc/53/71/76/1067537176.db2.gz QBHMIYKSLGSKTL-UHFFFAOYSA-N 0 0 474.487 3.163 20 0 JGADRN COc1ccc(C(=O)N2CCC(C(=O)NC[C@H]3CCN(CC(F)F)C3)CC2)c2ccccc12 ZINC001302967726 1067537523 /nfs/dbraw/zinc/53/75/23/1067537523.db2.gz DUOMGZHGWHNMBA-QGZVFWFLSA-N 0 0 459.537 3.404 20 0 JGADRN Fc1ccc(Cc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@@H]2CC=CCO2)cc1 ZINC001302967533 1067537532 /nfs/dbraw/zinc/53/75/32/1067537532.db2.gz WWULLCFYLOVGCT-SFHVURJKSA-N 0 0 471.474 3.376 20 0 JGADRN Fc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(CC(F)(F)F)CC2)nc1 ZINC001302967552 1067537539 /nfs/dbraw/zinc/53/75/39/1067537539.db2.gz XLVNLYQGVFYIGQ-UHFFFAOYSA-N 0 0 488.287 3.302 20 0 JGADRN Fc1cccc(F)c1Cc1nnc(N2CCC[C@H](n3cncn3)C2)n1CCCOC(F)F ZINC001302968462 1067537640 /nfs/dbraw/zinc/53/76/40/1067537640.db2.gz BLYFQXYPFAXNDM-AWEZNQCLSA-N 0 0 453.444 3.209 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cccc(C)n3)nnc2N(C)CC2CC(F)C2)s1 ZINC001304457659 1067537787 /nfs/dbraw/zinc/53/77/87/1067537787.db2.gz IKPBTSVJMRYGIN-UHFFFAOYSA-N 0 0 478.619 3.181 20 0 JGADRN Cc1cc(CN(C)c2nnc(-c3cccc(C)n3)n2CCn2cc(Br)cn2)no1 ZINC001304458440 1067538188 /nfs/dbraw/zinc/53/81/88/1067538188.db2.gz WMVHQYNMUQBKSL-UHFFFAOYSA-N 0 0 457.336 3.241 20 0 JGADRN Fc1ccc(OCCCn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)CC2)cc1 ZINC001302969246 1067538316 /nfs/dbraw/zinc/53/83/16/1067538316.db2.gz MNKQDPGSWGHJFS-MRXNPFEDSA-N 0 0 457.472 3.075 20 0 JGADRN Fc1cccc(OCCn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC001302969382 1067538336 /nfs/dbraw/zinc/53/83/36/1067538336.db2.gz NMTBVUSKLJNZNK-INIZCTEOSA-N 0 0 489.489 3.413 20 0 JGADRN Fc1cccc(F)c1Cc1nnc(N2CCSCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302969675 1067538603 /nfs/dbraw/zinc/53/86/03/1067538603.db2.gz QJPDCWLBEYQIFC-GOSISDBHSA-N 0 0 491.530 3.354 20 0 JGADRN Cc1cccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CC2CCN(CC(F)(F)F)CC2)n1 ZINC001304458722 1067538582 /nfs/dbraw/zinc/53/85/82/1067538582.db2.gz VGIUKJCZUULIIR-GOSISDBHSA-N 0 0 452.525 3.396 20 0 JGADRN Fc1ccccc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCCOC1CCOCC1 ZINC001302969769 1067538653 /nfs/dbraw/zinc/53/86/53/1067538653.db2.gz BVWOPDHCOHCEOA-GOSISDBHSA-N 0 0 458.456 3.437 20 0 JGADRN Fc1cccc(F)c1Cc1nnc(N2CCCOCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302970612 1067539019 /nfs/dbraw/zinc/53/90/19/1067539019.db2.gz XECWBTRYXAZRHG-IBGZPJMESA-N 0 0 489.489 3.027 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001302971182 1067539295 /nfs/dbraw/zinc/53/92/95/1067539295.db2.gz BNCUQOMOLMHCJN-LJQANCHMSA-N 0 0 465.520 3.415 20 0 JGADRN Fc1ccccc1[C@H]1CN(c2nnc(-c3cnccn3)n2CCOCC(F)(F)C(F)F)CCO1 ZINC001302971110 1067539443 /nfs/dbraw/zinc/53/94/43/1067539443.db2.gz VBLUTQAAZVBGMW-QGZVFWFLSA-N 0 0 484.429 3.369 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@]2(O)CCCC2(C)C)n1 ZINC001304460305 1067539765 /nfs/dbraw/zinc/53/97/65/1067539765.db2.gz RNUWELJNJGMTDM-VWLOTQADSA-N 0 0 456.635 3.137 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001302972103 1067539943 /nfs/dbraw/zinc/53/99/43/1067539943.db2.gz LJFHOSWTHLEGQD-RUZDIDTESA-N 0 0 452.603 3.238 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)n1 ZINC001304461445 1067540151 /nfs/dbraw/zinc/54/01/51/1067540151.db2.gz BWMIKAMAAFVYAG-CTNGQTDRSA-N 0 0 490.674 3.104 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCOc3cccc(Cl)c3)n2CC2(C(N)=O)CCOCC2)n1 ZINC001304461408 1067540328 /nfs/dbraw/zinc/54/03/28/1067540328.db2.gz ALLCVBAVQITIBT-UHFFFAOYSA-N 0 0 484.988 3.099 20 0 JGADRN COc1cc(-c2noc(CCC(=O)NC[C@H]3CCN(CC(F)F)C3)n2)cc(Cl)c1OC ZINC001302973441 1067540326 /nfs/dbraw/zinc/54/03/26/1067540326.db2.gz PWLWIEQKCRRVGZ-GFCCVEGCSA-N 0 0 458.893 3.043 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC(=O)NC(C)C ZINC001302974197 1067540535 /nfs/dbraw/zinc/54/05/35/1067540535.db2.gz DNXMEJIXFZTZRC-SFHVURJKSA-N 0 0 451.518 3.181 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001302974182 1067540633 /nfs/dbraw/zinc/54/06/33/1067540633.db2.gz CBSWABNMFYGDKJ-WZONZLPQSA-N 0 0 479.647 3.176 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001302973965 1067540647 /nfs/dbraw/zinc/54/06/47/1067540647.db2.gz BYEXRGRQXVGFLG-MPHOGZCYSA-N 0 0 452.958 3.387 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCOC(C)(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)n1 ZINC001304462443 1067540624 /nfs/dbraw/zinc/54/06/24/1067540624.db2.gz QYRSIZVWKJZYMV-UHFFFAOYSA-N 0 0 487.626 3.382 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCOC(C)(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)n1 ZINC001304462274 1067540693 /nfs/dbraw/zinc/54/06/93/1067540693.db2.gz OMGRFGDHYFUELQ-IBGZPJMESA-N 0 0 466.577 3.256 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2CC(=O)NCc2ccco2)n1 ZINC001304462527 1067540747 /nfs/dbraw/zinc/54/07/47/1067540747.db2.gz VJPINPWKTYHAJE-UHFFFAOYSA-N 0 0 464.501 3.212 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1Cc1cccc(Br)n1 ZINC001302974468 1067540833 /nfs/dbraw/zinc/54/08/33/1067540833.db2.gz FEERKPXWRBEGEB-DLBZAZTESA-N 0 0 450.381 3.067 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1Cc1cccc(Br)n1 ZINC001302974472 1067540858 /nfs/dbraw/zinc/54/08/58/1067540858.db2.gz FEERKPXWRBEGEB-IRXDYDNUSA-N 0 0 450.381 3.067 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302974425 1067540906 /nfs/dbraw/zinc/54/09/06/1067540906.db2.gz FIDKVFKBGHPYAQ-MOPGFXCFSA-N 0 0 471.524 3.301 20 0 JGADRN Cc1cccc(-c2nnc(N(Cc3ccc(F)cc3F)C3CC3)n2CC(=O)NCC(F)F)n1 ZINC001304462780 1067540981 /nfs/dbraw/zinc/54/09/81/1067540981.db2.gz BGHAVIGGKUBKSD-UHFFFAOYSA-N 0 0 462.451 3.477 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 ZINC001304462585 1067541102 /nfs/dbraw/zinc/54/11/02/1067541102.db2.gz XDRNRANZRXLDBA-NRFANRHFSA-N 0 0 469.611 3.126 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001302974905 1067541238 /nfs/dbraw/zinc/54/12/38/1067541238.db2.gz IMKDZALDOXCFJY-DGGJZMOXSA-N 0 0 463.648 3.348 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@]1(O)CCO[C@H]1C ZINC001302974906 1067541361 /nfs/dbraw/zinc/54/13/61/1067541361.db2.gz IMKDZALDOXCFJY-HKARXFIJSA-N 0 0 463.648 3.348 20 0 JGADRN Cc1cccc(-c2nnc(N(CCO)Cc3ccccc3)n2CCn2cc(Br)cn2)n1 ZINC001304463147 1067541416 /nfs/dbraw/zinc/54/14/16/1067541416.db2.gz IEUBQHSRJFAOEG-UHFFFAOYSA-N 0 0 482.386 3.307 20 0 JGADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCCN(C)c2ccccn2)c1)c1ccccc1 ZINC001302975283 1067541558 /nfs/dbraw/zinc/54/15/58/1067541558.db2.gz QHXDETWFCJQUFC-LJQANCHMSA-N 0 0 452.580 3.377 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001302975443 1067541629 /nfs/dbraw/zinc/54/16/29/1067541629.db2.gz KIJGCVNCDZBKMC-QGZVFWFLSA-N 0 0 479.416 3.392 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1CCC(=O)N(C)C ZINC001302975939 1067542092 /nfs/dbraw/zinc/54/20/92/1067542092.db2.gz MZMSSGKQSFIFRZ-GOSISDBHSA-N 0 0 451.518 3.134 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC2(O)CCCC2)n1 ZINC001304463880 1067542296 /nfs/dbraw/zinc/54/22/96/1067542296.db2.gz ADTGBASNUQIOMS-LJQANCHMSA-N 0 0 454.619 3.331 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)n2CCCNC(=O)C(C)C)n1 ZINC001304464317 1067542446 /nfs/dbraw/zinc/54/24/46/1067542446.db2.gz DYOQQKFRIOSJCG-FQEVSTJZSA-N 0 0 495.672 3.286 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)n2CCSCCCO)n1 ZINC001304464648 1067542806 /nfs/dbraw/zinc/54/28/06/1067542806.db2.gz HOSYFJDAILZUDG-LJQANCHMSA-N 0 0 486.686 3.239 20 0 JGADRN Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@@H](c2ccsc2)N(C)C)n1 ZINC001304464797 1067542826 /nfs/dbraw/zinc/54/28/26/1067542826.db2.gz USOXZENKDIPDRE-FQEVSTJZSA-N 0 0 474.656 3.026 20 0 JGADRN Fc1ccccc1OCc1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(Cl)nc1 ZINC001302977185 1067543159 /nfs/dbraw/zinc/54/31/59/1067543159.db2.gz ISHABKSBUYJELJ-UHFFFAOYSA-N 0 0 466.895 3.480 20 0 JGADRN Fc1ccccc1Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCCOCC(F)F ZINC001302977484 1067543554 /nfs/dbraw/zinc/54/35/54/1067543554.db2.gz MEWHKOJKJKMXIR-HNNXBMFYSA-N 0 0 452.399 3.447 20 0 JGADRN Fc1ccccc1OCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC1=CCCOC1 ZINC001302977519 1067543568 /nfs/dbraw/zinc/54/35/68/1067543568.db2.gz NHJNUDBUFBRUKD-UHFFFAOYSA-N 0 0 469.483 3.417 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1C[C@@H]1CCCCS1(=O)=O ZINC001302977339 1067543585 /nfs/dbraw/zinc/54/35/85/1067543585.db2.gz VGDUMOXMENMOAP-FXAWDEMLSA-N 0 0 468.570 3.300 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nccs3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001302977878 1067543821 /nfs/dbraw/zinc/54/38/21/1067543821.db2.gz WDUSIZMFAHJCJB-HZPDHXFCSA-N 0 0 450.609 3.424 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001302977880 1067543932 /nfs/dbraw/zinc/54/39/32/1067543932.db2.gz WEFAQXNAPXXZSJ-HXUWFJFHSA-N 0 0 499.591 3.059 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1CCCn1cc(Br)cn1 ZINC001302977907 1067543964 /nfs/dbraw/zinc/54/39/64/1067543964.db2.gz WNVKGZIUFPAPAM-SFHVURJKSA-N 0 0 469.428 3.156 20 0 JGADRN Cc1cccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[C@H](N2CCOCC2)C(F)(F)F)n1 ZINC001304465836 1067543996 /nfs/dbraw/zinc/54/39/96/1067543996.db2.gz ZEIDNOCHESEZME-HKUYNNGSSA-N 0 0 482.551 3.305 20 0 JGADRN Cc1cccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(OC(F)F)c(F)c2)n1 ZINC001304466068 1067544317 /nfs/dbraw/zinc/54/43/17/1067544317.db2.gz RWCYWWGZVYOHSM-CQSZACIVSA-N 0 0 460.460 3.104 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2Cc2ncnn2C(C)(C)C)n1 ZINC001304466384 1067544605 /nfs/dbraw/zinc/54/46/05/1067544605.db2.gz WXEUQXMREXOXQG-IBGZPJMESA-N 0 0 493.660 3.420 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCCC(=O)NC2CC2)n1 ZINC001304466247 1067544619 /nfs/dbraw/zinc/54/46/19/1067544619.db2.gz VXKQIUSQOVKTTP-RTBURBONSA-N 0 0 497.644 3.447 20 0 JGADRN Cc1cccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2cc(Br)cs2)n1 ZINC001304466489 1067544969 /nfs/dbraw/zinc/54/49/69/1067544969.db2.gz VSSZLXQZEHEFSL-CYBMUJFWSA-N 0 0 461.389 3.188 20 0 JGADRN Cc1cccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001304466494 1067545035 /nfs/dbraw/zinc/54/50/35/1067545035.db2.gz VTWOGCGTIANYHO-WOJBJXKFSA-N 0 0 497.644 3.495 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CCc2ccc(Cl)cc2)n1 ZINC001304467234 1067545806 /nfs/dbraw/zinc/54/58/06/1067545806.db2.gz IXGFWRYKJFYYRL-UHFFFAOYSA-N 0 0 489.045 3.405 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCC2(O)CCC2)n1 ZINC001304467695 1067546078 /nfs/dbraw/zinc/54/60/78/1067546078.db2.gz QESHVMJRLBZSKZ-GOSISDBHSA-N 0 0 456.591 3.305 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@H](COCc4ccccc4)C3)n2CC(=O)NCC(F)(F)F)n1 ZINC001304467708 1067546084 /nfs/dbraw/zinc/54/60/84/1067546084.db2.gz QIWIDKUXDSCBIN-IBGZPJMESA-N 0 0 488.514 3.370 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(n4cc(Cl)cn4)CC3)n2CCSCCCO)n1 ZINC001304467799 1067546565 /nfs/dbraw/zinc/54/65/65/1067546565.db2.gz SHTDAEAXFGEKTJ-UHFFFAOYSA-N 0 0 462.023 3.456 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCc2nc(C(F)(F)F)cs2)n1 ZINC001304468365 1067546895 /nfs/dbraw/zinc/54/68/95/1067546895.db2.gz OZOKLDBEZJBZQB-LJQANCHMSA-N 0 0 465.505 3.068 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(NC(=O)NC4CCCCC4)CC3)n2CCC(=O)NC(C)C)n1 ZINC001304468607 1067547266 /nfs/dbraw/zinc/54/72/66/1067547266.db2.gz FYQSURMCGJNMGP-UHFFFAOYSA-N 0 0 496.660 3.164 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccc(OC(C)(C)C)nc2)n1 ZINC001304468794 1067547589 /nfs/dbraw/zinc/54/75/89/1067547589.db2.gz IQONZQUCZCVASN-UHFFFAOYSA-N 0 0 463.586 3.361 20 0 JGADRN Cc1cccc(-c2nnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)n2CCCC(C)(C)C)n1 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HFGBAPCWLBVYLU-UHFFFAOYSA-N 0 0 463.424 3.010 20 0 JGADRN OCCN(CCOCC(F)(F)F)c1nnc(-c2ccccc2)n1Cc1noc2c1CCCC2 ZINC001303162440 1067700059 /nfs/dbraw/zinc/70/00/59/1067700059.db2.gz MGDLALDBJHTUAJ-UHFFFAOYSA-N 0 0 465.476 3.238 20 0 JGADRN OCCN(CCOCC(F)(F)F)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC=CCC1 ZINC001303162388 1067700141 /nfs/dbraw/zinc/70/01/41/1067700141.db2.gz JSWFWTQQAQPPJF-INIZCTEOSA-N 0 0 468.476 3.408 20 0 JGADRN OC[C@H]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(O)(C(F)(F)F)CC2)O1 ZINC001303162326 1067700173 /nfs/dbraw/zinc/70/01/73/1067700173.db2.gz IIBPBJNTGGTDBQ-UONOGXRCSA-N 0 0 478.874 3.171 20 0 JGADRN Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1 ZINC001304629645 1067700324 /nfs/dbraw/zinc/70/03/24/1067700324.db2.gz PJQNHKOJILYUSE-KRWDZBQOSA-N 0 0 492.552 3.409 20 0 JGADRN Cc1csc(CN(C)c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2ccccc2)c1 ZINC001304630100 1067700601 /nfs/dbraw/zinc/70/06/01/1067700601.db2.gz RTFYCOQCYVSMMB-UHFFFAOYSA-N 0 0 452.584 3.436 20 0 JGADRN Cc1csc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)c1 ZINC001304629882 1067700676 /nfs/dbraw/zinc/70/06/76/1067700676.db2.gz QOKBSDUVYRFONQ-UHFFFAOYSA-N 0 0 495.070 3.468 20 0 JGADRN Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2CCNS(=O)(=O)c2ccccc2)c1 ZINC001304629838 1067700703 /nfs/dbraw/zinc/70/07/03/1067700703.db2.gz ORDVZELHOFXPCZ-UHFFFAOYSA-N 0 0 482.635 3.249 20 0 JGADRN CC(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001303163285 1067700873 /nfs/dbraw/zinc/70/08/73/1067700873.db2.gz WCOYMYLBYGREPL-MRXNPFEDSA-N 0 0 456.012 3.199 20 0 JGADRN CC(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001303163234 1067700890 /nfs/dbraw/zinc/70/08/90/1067700890.db2.gz VHOPHFOYGQUGDJ-UHFFFAOYSA-N 0 0 489.422 3.072 20 0 JGADRN CC(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001303162957 1067700943 /nfs/dbraw/zinc/70/09/43/1067700943.db2.gz PBNWHIKMQHEDJT-UHFFFAOYSA-N 0 0 473.643 3.234 20 0 JGADRN Cc1csc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 ZINC001304630635 1067701067 /nfs/dbraw/zinc/70/10/67/1067701067.db2.gz MMWZWSXZTAXDPH-ZHALLVOQSA-N 0 0 452.646 3.248 20 0 JGADRN OC[C@H]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C(F)(F)F)C2)O1 ZINC001303163469 1067701247 /nfs/dbraw/zinc/70/12/47/1067701247.db2.gz XNGGLSYAQQKCPT-ZENOOKHLSA-N 0 0 464.847 3.045 20 0 JGADRN Cc1csc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C(=O)C(C)C)CC2)n1 ZINC001304631392 1067701405 /nfs/dbraw/zinc/70/14/05/1067701405.db2.gz MTRWPNYZMIAVTK-UHFFFAOYSA-N 0 0 478.420 3.154 20 0 JGADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001303164312 1067701638 /nfs/dbraw/zinc/70/16/38/1067701638.db2.gz MTLUIXFPVHPGIX-UHFFFAOYSA-N 0 0 450.410 3.485 20 0 JGADRN CN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001303164297 1067701681 /nfs/dbraw/zinc/70/16/81/1067701681.db2.gz YMWGBZCWDRLDJQ-INIZCTEOSA-N 0 0 451.857 3.232 20 0 JGADRN Cc1csc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001304632111 1067702009 /nfs/dbraw/zinc/70/20/09/1067702009.db2.gz NQTHZLQQAVNZBT-INIZCTEOSA-N 0 0 464.636 3.410 20 0 JGADRN COC(=O)[C@@H](CNC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)Oc1ccccc1 ZINC001303165722 1067702120 /nfs/dbraw/zinc/70/21/20/1067702120.db2.gz QSZKIQGPXLSYDZ-OXJNMPFZSA-N 0 0 457.527 3.150 20 0 JGADRN CC(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001303166781 1067702130 /nfs/dbraw/zinc/70/21/30/1067702130.db2.gz MJNJUOIJOOMASA-GOSISDBHSA-N 0 0 472.615 3.364 20 0 JGADRN CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001303167686 1067702841 /nfs/dbraw/zinc/70/28/41/1067702841.db2.gz NJAMASHOAVNBJQ-KRWDZBQOSA-N 0 0 493.527 3.061 20 0 JGADRN CC1(C)CCC[C@H](CNC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)O1 ZINC001304633501 1067702838 /nfs/dbraw/zinc/70/28/38/1067702838.db2.gz QLJZCNOXBBTUEW-UZUQRXQVSA-N 0 0 452.551 3.350 20 0 JGADRN Cc1csc(N2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCCOCC(C)C)CC2)n1 ZINC001304634305 1067702895 /nfs/dbraw/zinc/70/28/95/1067702895.db2.gz AXOSVECZWKWCLH-UHFFFAOYSA-N 0 0 484.630 3.080 20 0 JGADRN Cc1csc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2ccc(Cl)cc2)n1 ZINC001304633544 1067702950 /nfs/dbraw/zinc/70/29/50/1067702950.db2.gz MMRJJQSAJSPXKX-INIZCTEOSA-N 0 0 466.032 3.326 20 0 JGADRN COc1cccc([C@H]2CCN(C(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)C2(C)C)c1 ZINC001303168856 1067703206 /nfs/dbraw/zinc/70/32/06/1067703206.db2.gz UYKOKXFCHIZPLY-LJQANCHMSA-N 0 0 455.580 3.384 20 0 JGADRN COc1cccc([C@@H]2CCN(C(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)C2(C)C)c1 ZINC001303168855 1067703339 /nfs/dbraw/zinc/70/33/39/1067703339.db2.gz UYKOKXFCHIZPLY-IBGZPJMESA-N 0 0 455.580 3.384 20 0 JGADRN Cc1cscc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001304634614 1067703628 /nfs/dbraw/zinc/70/36/28/1067703628.db2.gz FIGHITHXMOZXSI-GOSISDBHSA-N 0 0 472.659 3.309 20 0 JGADRN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccc(F)c(F)c3)C2(C)C)cc1 ZINC001303170464 1067703816 /nfs/dbraw/zinc/70/38/16/1067703816.db2.gz NXXLVCDUVBCGPC-KDOFPFPSSA-N 0 0 452.523 3.032 20 0 JGADRN Cc1csc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)n1 ZINC001304634973 1067703967 /nfs/dbraw/zinc/70/39/67/1067703967.db2.gz NLELFBSIIJOBQX-UHFFFAOYSA-N 0 0 482.031 3.337 20 0 JGADRN Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCc1cc2cc(Br)ccc2o1 ZINC001303170986 1067704028 /nfs/dbraw/zinc/70/40/28/1067704028.db2.gz DCHHXLLNPLTPIU-UHFFFAOYSA-N 0 0 457.371 3.364 20 0 JGADRN Cc1csc(N2CCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CC(=O)N(C)C)CC2)n1 ZINC001304635294 1067704259 /nfs/dbraw/zinc/70/42/59/1067704259.db2.gz RTSPDALMLMTWKD-UHFFFAOYSA-N 0 0 480.425 3.432 20 0 JGADRN Cc1cscc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304635186 1067704379 /nfs/dbraw/zinc/70/43/79/1067704379.db2.gz AHAPZWSAZKAQBL-KRWDZBQOSA-N 0 0 462.620 3.328 20 0 JGADRN CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001303171900 1067704523 /nfs/dbraw/zinc/70/45/23/1067704523.db2.gz QVWDLSYTMLEKIH-UHFFFAOYSA-N 0 0 463.007 3.400 20 0 JGADRN Cc1csc(N2CCN(c3nnc(Cc4ccccn4)n3CCOCC(F)(F)C(F)F)CC2)n1 ZINC001304635724 1067704641 /nfs/dbraw/zinc/70/46/41/1067704641.db2.gz ZSWCCHBRRCYMFQ-UHFFFAOYSA-N 0 0 499.538 3.272 20 0 JGADRN Cc1cscc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001304636363 1067705071 /nfs/dbraw/zinc/70/50/71/1067705071.db2.gz NKMGVQANHBILJP-OAHLLOKOSA-N 0 0 484.047 3.475 20 0 JGADRN Cc1cscc1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001304637835 1067706149 /nfs/dbraw/zinc/70/61/49/1067706149.db2.gz IDZLDSDSPADABA-UHFFFAOYSA-N 0 0 460.003 3.236 20 0 JGADRN Cc1cscc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001304638431 1067706574 /nfs/dbraw/zinc/70/65/74/1067706574.db2.gz PZAUSHANFXOGQU-KRWDZBQOSA-N 0 0 460.604 3.141 20 0 JGADRN Cc1cscc1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001304638982 1067707280 /nfs/dbraw/zinc/70/72/80/1067707280.db2.gz SZYGIJOZBJETRC-QGZVFWFLSA-N 0 0 477.631 3.192 20 0 JGADRN Cc1cscc1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001304638981 1067707318 /nfs/dbraw/zinc/70/73/18/1067707318.db2.gz SZYGIJOZBJETRC-KRWDZBQOSA-N 0 0 477.631 3.192 20 0 JGADRN Cc1nc(C)c(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001304639620 1067707648 /nfs/dbraw/zinc/70/76/48/1067707648.db2.gz OSQCQKMRCDQVLT-SFHVURJKSA-N 0 0 469.615 3.493 20 0 JGADRN Cc1nc(C)c(Cn2c(-c3cccnc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)s1 ZINC001304640512 1067708186 /nfs/dbraw/zinc/70/81/86/1067708186.db2.gz KAZPANNEGOOVLY-UHFFFAOYSA-N 0 0 479.532 3.357 20 0 JGADRN CC(C)CN1C[C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CCC(C)(C)O)CCN2C1=O ZINC001303175126 1067708440 /nfs/dbraw/zinc/70/84/40/1067708440.db2.gz IBXZSBJUPBYWDK-KRWDZBQOSA-N 0 0 461.010 3.342 20 0 JGADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)s1 ZINC001304640857 1067708885 /nfs/dbraw/zinc/70/88/85/1067708885.db2.gz PEOFVZPEXIBBKX-ZDUSSCGKSA-N 0 0 475.416 3.496 20 0 JGADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)(=O)CC2)s1 ZINC001304640829 1067708937 /nfs/dbraw/zinc/70/89/37/1067708937.db2.gz OHTCYVIBPAXPLZ-UHFFFAOYSA-N 0 0 482.429 3.064 20 0 JGADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)s1 ZINC001304640856 1067708982 /nfs/dbraw/zinc/70/89/82/1067708982.db2.gz PEOFVZPEXIBBKX-CYBMUJFWSA-N 0 0 475.416 3.496 20 0 JGADRN CC(C)CN1C[C@@H]2CN(c3nnc(-c4ccccn4)n3CCCCOC(C)C)CCN2C1=O ZINC001303175655 1067709210 /nfs/dbraw/zinc/70/92/10/1067709210.db2.gz MOOJKVJGLMYOBV-FQEVSTJZSA-N 0 0 455.607 3.128 20 0 JGADRN CC(C)CN1C[C@@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CC(F)(F)F)CCN2C1=O ZINC001303175643 1067709326 /nfs/dbraw/zinc/70/93/26/1067709326.db2.gz MKYBYVDXQOKAML-KRWDZBQOSA-N 0 0 454.472 3.153 20 0 JGADRN CC(C)CN1C[C@H]2CN(c3nnc(C(C)C)n3Cc3cccc(C(F)(F)F)n3)CCN2C1=O ZINC001303177016 1067709697 /nfs/dbraw/zinc/70/96/97/1067709697.db2.gz STXVRRCLKCUVQY-QGZVFWFLSA-N 0 0 465.524 3.446 20 0 JGADRN Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CCc2ccc(Cl)cc2)s1 ZINC001304641489 1067709695 /nfs/dbraw/zinc/70/96/95/1067709695.db2.gz MJBIMLWSDJGJCU-CQSZACIVSA-N 0 0 483.063 3.342 20 0 JGADRN 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C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1CC[C@H]1CCCCO1 ZINC001303812234 1068422453 /nfs/dbraw/zinc/42/24/53/1068422453.db2.gz WGLWYOAYSQUVHJ-MAUKXSAKSA-N 0 0 456.012 3.137 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1CC(C)(C)c1ccccn1 ZINC001303812219 1068422462 /nfs/dbraw/zinc/42/24/62/1068422462.db2.gz VXSCYECAIYDMKT-INIZCTEOSA-N 0 0 460.579 3.037 20 0 JGADRN C[C@@H]1SCCN(c2nnc(-c3cccnc3)n2CCc2ccc(S(C)(=O)=O)cc2)[C@H]1C ZINC001305257729 1068422482 /nfs/dbraw/zinc/42/24/82/1068422482.db2.gz RPBAKONBLHLNMX-IRXDYDNUSA-N 0 0 457.625 3.317 20 0 JGADRN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N(C)C ZINC001305257742 1068422583 /nfs/dbraw/zinc/42/25/83/1068422583.db2.gz RRGKNEGAQSAMHT-NEPJUHHUSA-N 0 0 456.385 3.265 20 0 JGADRN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1CCOC1 ZINC001305258216 1068423192 /nfs/dbraw/zinc/42/31/92/1068423192.db2.gz WNFPCWIDVKCBNB-IKGGRYGDSA-N 0 0 450.630 3.105 20 0 JGADRN C[C@@H]1[C@H](C)SCCN1c1nnc(Cc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001305258497 1068423844 /nfs/dbraw/zinc/42/38/44/1068423844.db2.gz YRHWPIMLAGYWIP-SJORKVTESA-N 0 0 457.625 3.046 20 0 JGADRN CC(C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001303812515 1068423887 /nfs/dbraw/zinc/42/38/87/1068423887.db2.gz ZJHKRXHSWBACQY-DJJJIMSYSA-N 0 0 495.543 3.090 20 0 JGADRN C[C@@H]1[C@H](C)SCCN1c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 ZINC001305258737 1068424306 /nfs/dbraw/zinc/42/43/06/1068424306.db2.gz NRUQTIVRPXHRSN-CVEARBPZSA-N 0 0 474.597 3.005 20 0 JGADRN C[C@H]1SCCN(c2nnc(CCCc3ccccc3)n2CCC(=O)N2CCOCC2)[C@H]1C ZINC001305258675 1068424372 /nfs/dbraw/zinc/42/43/72/1068424372.db2.gz NAIMTEJLXCZXTN-VQTJNVASSA-N 0 0 457.644 3.033 20 0 JGADRN C[C@H]1SCCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCNS(C)(=O)=O)[C@H]1C ZINC001305258574 1068424382 /nfs/dbraw/zinc/42/43/82/1068424382.db2.gz WUJZRRRAPOUZNX-ZWKOTPCHSA-N 0 0 463.673 3.018 20 0 JGADRN 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483.947 3.142 20 0 JGADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)COc1cncc(Cl)n1 ZINC001164901783 721578152 /nfs/dbraw/zinc/57/81/52/721578152.db2.gz ANRLNNLFMLUWDU-KRWDZBQOSA-N 0 0 471.936 3.361 20 0 JGADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cnc(Cl)cc1C(N)=O ZINC001164903889 721578513 /nfs/dbraw/zinc/57/85/13/721578513.db2.gz OVGUKVVFNYIHQG-GOSISDBHSA-N 0 0 483.947 3.142 20 0 JGADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc(OC)nc(Cl)n1 ZINC001164903288 721578687 /nfs/dbraw/zinc/57/86/87/721578687.db2.gz KTHMAZRPAVAJCP-INIZCTEOSA-N 0 0 471.936 3.447 20 0 JGADRN O=C(COC[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)C1)N1CCCC1 ZINC001164903334 721581534 /nfs/dbraw/zinc/58/15/34/721581534.db2.gz MAARRANTIANGNL-INIZCTEOSA-N 0 0 490.942 3.300 20 0 JGADRN O=C(COC[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)cc2Cl)C1)N1CCCC1 ZINC001164902481 721581687 /nfs/dbraw/zinc/58/16/87/721581687.db2.gz FIXRVNPAHFARKQ-CQSZACIVSA-N 0 0 474.339 3.405 20 0 JGADRN Cc1ccc(Cl)nc1C(F)(F)N1Cc2nccn2C[C@H](COCC(=O)N2CCCC2)C1 ZINC001164901779 721581995 /nfs/dbraw/zinc/58/19/95/721581995.db2.gz ANKUEJZKIPAQDQ-INIZCTEOSA-N 0 0 453.921 3.060 20 0 JGADRN O=C(COC[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc3c2CCC3)C1)N1CCCC1 ZINC001164901845 721582650 /nfs/dbraw/zinc/58/26/50/721582650.db2.gz BMIURALQAWJDIP-MRXNPFEDSA-N 0 0 479.959 3.241 20 0 JGADRN O=C(COC[C@@H]1Cn2ccnc2CN(C(Cl)(Cl)Oc2ccc(Cl)nc2)C1)N1CCCC1 ZINC001164901825 721582686 /nfs/dbraw/zinc/58/26/86/721582686.db2.gz BCGBGXMINHBVLA-OAHLLOKOSA-N 0 0 488.803 3.170 20 0 JGADRN COc1ccc(-c2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)c(OC)c1 ZINC001164806183 721584357 /nfs/dbraw/zinc/58/43/57/721584357.db2.gz MEBWOEGJBXMVCA-JCYRPKCISA-N 0 0 461.566 3.424 20 0 JGADRN COc1cccc(CN2C[C@@H]3CCN(C(F)(F)c4ccnc(Cl)n4)CC[C@@H]3S2(=O)=O)c1 ZINC001164802551 721591988 /nfs/dbraw/zinc/59/19/88/721591988.db2.gz GIERKJCWMCNFGV-RDJZCZTQSA-N 0 0 472.945 3.114 20 0 JGADRN 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Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2Cc2ccn(C)n2)cc1C ZINC001492267069 1065362342 /nfs/dbraw/zinc/36/23/42/1065362342.db2.gz UEVBTDOLXMNJLD-HXUWFJFHSA-N 0 0 492.628 3.060 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCCC[C@H](C)C3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492267108 1065363003 /nfs/dbraw/zinc/36/30/03/1065363003.db2.gz URMPJQRTPNHHGH-AWEZNQCLSA-N 0 0 466.508 3.452 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2C[C@H]2C)cc1C ZINC001492267152 1065363095 /nfs/dbraw/zinc/36/30/95/1065363095.db2.gz PDFXANSCHVBEBA-RTBURBONSA-N 0 0 452.603 3.498 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]3C3CCC3)n2CC(=O)NCC(F)F)cc1C ZINC001492268926 1065364724 /nfs/dbraw/zinc/36/47/24/1065364724.db2.gz ZVVCYRLYHAUGKY-SFHVURJKSA-N 0 0 460.529 3.297 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](c4ccco4)C3)n2CCNC(=O)C(C)C)cc1C ZINC001492273362 1065366007 /nfs/dbraw/zinc/36/60/07/1065366007.db2.gz DDGNNVPWBXBQHS-OAQYLSRUSA-N 0 0 480.569 3.090 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCOC(C)(C)C)cc1C ZINC001492273914 1065367447 /nfs/dbraw/zinc/36/74/47/1065367447.db2.gz PDVFPQSNYBBJFO-NHCUHLMSSA-N 0 0 471.602 3.347 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C)N2CCOCC2)cc1C ZINC001492274041 1065367811 /nfs/dbraw/zinc/36/78/11/1065367811.db2.gz SNRZYLFZXTYEGA-IFMALSPDSA-N 0 0 484.645 3.119 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)C3)n2CCC2CC(OC(C)(C)C)C2)cc1C ZINC001492274187 1065368606 /nfs/dbraw/zinc/36/86/06/1065368606.db2.gz WOYMMRFGRHKFRV-UHFFFAOYSA-N 0 0 468.602 3.067 20 0 JGADRN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@](C)(O)CCC(C)C)C2)nc1 ZINC001492275790 1065369770 /nfs/dbraw/zinc/36/97/70/1065369770.db2.gz LDWNTWREPZMOSS-FNZWTVRRSA-N 0 0 499.660 3.162 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3CCN3CCOC(C)(C)C3)C2)nc1 ZINC001492279940 1065372364 /nfs/dbraw/zinc/37/23/64/1065372364.db2.gz CECTUEZWWJIJLR-OAQYLSRUSA-N 0 0 483.661 3.146 20 0 JGADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc([C@H]4CCCO4)n3CCNC(=O)C(C)C)C2)cc1 ZINC001492289181 1065372653 /nfs/dbraw/zinc/37/26/53/1065372653.db2.gz VZIYPSJYHOFEON-RBBKRZOGSA-N 0 0 497.644 3.248 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3cn[nH]c3)C2)nc1 ZINC001492280601 1065373331 /nfs/dbraw/zinc/37/33/31/1065373331.db2.gz IRNRNTYLRDLPOI-LJQANCHMSA-N 0 0 450.591 3.391 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)C)n3CCCNC(=O)C(C)C)CC2)nc1 ZINC001492282299 1065375927 /nfs/dbraw/zinc/37/59/27/1065375927.db2.gz XDBSDJVHCIEPTI-UHFFFAOYSA-N 0 0 455.607 3.122 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001492283808 1065376419 /nfs/dbraw/zinc/37/64/19/1065376419.db2.gz LSNWBIPBZNZFEF-UHFFFAOYSA-N 0 0 498.031 3.488 20 0 JGADRN Cc1c(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)cnn1CC(C)C ZINC001492284029 1065377066 /nfs/dbraw/zinc/37/70/66/1065377066.db2.gz OPXXDDFXLNKEAS-UHFFFAOYSA-N 0 0 492.628 3.107 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001492284217 1065377146 /nfs/dbraw/zinc/37/71/46/1065377146.db2.gz RFCMJEXAKJJLBB-UHFFFAOYSA-N 0 0 464.618 3.434 20 0 JGADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(C4CC4)n3CCCC(=O)N(C)C)C2)cc1 ZINC001492289220 1065377212 /nfs/dbraw/zinc/37/72/12/1065377212.db2.gz XDKIUESIIFRDRU-LJQANCHMSA-N 0 0 467.618 3.370 20 0 JGADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(-c4cccn4C)n3CC(=O)NC(C)C)C2)cc1 ZINC001492289224 1065377809 /nfs/dbraw/zinc/37/78/09/1065377809.db2.gz XIQLDHYZIFNEJG-HXUWFJFHSA-N 0 0 492.628 3.155 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCC(F)F)cc1 ZINC001492286310 1065378607 /nfs/dbraw/zinc/37/86/07/1065378607.db2.gz BOAKUQKVOZIXHD-GOSISDBHSA-N 0 0 486.523 3.253 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@H](C)C2)cc1 ZINC001492287052 1065379112 /nfs/dbraw/zinc/37/91/12/1065379112.db2.gz ACQGLXVQUGYBIN-RTBURBONSA-N 0 0 496.637 3.468 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C2CC2)cc1 ZINC001492286794 1065379256 /nfs/dbraw/zinc/37/92/56/1065379256.db2.gz HNEALCKGIXTURM-LJQANCHMSA-N 0 0 470.574 3.305 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)cc1 ZINC001492287175 1065380045 /nfs/dbraw/zinc/38/00/45/1065380045.db2.gz OFCHFWQSBIXTKU-UHFFFAOYSA-N 0 0 496.637 3.389 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492287439 1065380376 /nfs/dbraw/zinc/38/03/76/1065380376.db2.gz FIKVPRHHNKZBJD-XIFFEERXSA-N 0 0 468.627 3.194 20 0 JGADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCOCCCO)C2)cc1 ZINC001492287830 1065381920 /nfs/dbraw/zinc/38/19/20/1065381920.db2.gz IPKZMESKLATDAO-FQEVSTJZSA-N 0 0 472.634 3.321 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@H]2CSCCS2)n1 ZINC001492287946 1065381975 /nfs/dbraw/zinc/38/19/75/1065381975.db2.gz IVXBFVVBXAMGNK-FQEVSTJZSA-N 0 0 485.683 3.372 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)c2nccs2)cc1 ZINC001492288121 1065382396 /nfs/dbraw/zinc/38/23/96/1065382396.db2.gz KMZJJJWOGPCTPM-KRWDZBQOSA-N 0 0 467.599 3.044 20 0 JGADRN Cc1nccn1CCCn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001492288128 1065382514 /nfs/dbraw/zinc/38/25/14/1065382514.db2.gz KNVYDYBJWKKGBB-UHFFFAOYSA-N 0 0 458.570 3.242 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@H]2CCCC[C@H]2C)cc1 ZINC001492288498 1065383242 /nfs/dbraw/zinc/38/32/42/1065383242.db2.gz YJQXJVLHVKPKMT-GIVPXCGWSA-N 0 0 468.602 3.208 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CCC(=O)NC2CCCCC2)cc1C ZINC001492239057 1065384049 /nfs/dbraw/zinc/38/40/49/1065384049.db2.gz XRPAGGODLZORRK-UHFFFAOYSA-N 0 0 492.628 3.356 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(N3CCN([C@H](C)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001492301065 1065384638 /nfs/dbraw/zinc/38/46/38/1065384638.db2.gz AFGHSRUMWKVAKZ-VQTJNVASSA-N 0 0 468.646 3.141 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCOC3)n2CCC(=O)N2CCCCC2)cc1C ZINC001492239941 1065384853 /nfs/dbraw/zinc/38/48/53/1065384853.db2.gz AHWGKMIHLAEZAH-FQEVSTJZSA-N 0 0 468.602 3.023 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3ccccn3)nnc2N(C)CCCS(C)(=O)=O)c1 ZINC001492302168 1065385424 /nfs/dbraw/zinc/38/54/24/1065385424.db2.gz GDIFMFFZXGZEAE-UHFFFAOYSA-N 0 0 465.526 3.169 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C)[C@H]2C)c1 ZINC001492303048 1065386789 /nfs/dbraw/zinc/38/67/89/1065386789.db2.gz OZCOUYIDMBMKBA-OWCLPIDISA-N 0 0 486.610 3.469 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)CC2)c1 ZINC001492303960 1065387289 /nfs/dbraw/zinc/38/72/89/1065387289.db2.gz LVISGSIWXAVFRK-OAHLLOKOSA-N 0 0 457.547 3.083 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCNC(=O)CC2)cc1 ZINC001492305984 1065388217 /nfs/dbraw/zinc/38/82/17/1065388217.db2.gz PNLOXUYXVFXBER-AQNXPRMDSA-N 0 0 498.628 3.151 20 0 JGADRN Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](C)Oc2ccc(C)cc2)cs1 ZINC001492307738 1065388720 /nfs/dbraw/zinc/38/87/20/1065388720.db2.gz VRFBABKZTHYHMS-IRXDYDNUSA-N 0 0 454.600 3.077 20 0 JGADRN Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](C)Oc2ccc(C)cc2)cs1 ZINC001492307734 1065388780 /nfs/dbraw/zinc/38/87/80/1065388780.db2.gz VRFBABKZTHYHMS-DLBZAZTESA-N 0 0 454.600 3.077 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCCNC(=O)C(C)C)cc1 ZINC001492340546 1065388790 /nfs/dbraw/zinc/38/87/90/1065388790.db2.gz SSFCPHAFUXOAFB-HKUYNNGSSA-N 0 0 483.535 3.484 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC001492307805 1065388884 /nfs/dbraw/zinc/38/88/84/1065388884.db2.gz WDCAQBFFPSXHQQ-GJZGRUSLSA-N 0 0 467.542 3.489 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)S[C@@H](C)C2)c1 ZINC001492308168 1065389324 /nfs/dbraw/zinc/38/93/24/1065389324.db2.gz YROQNBZWVCSZOH-KKUMJFAQSA-N 0 0 489.614 3.177 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(C)C)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC001492308220 1065389383 /nfs/dbraw/zinc/38/93/83/1065389383.db2.gz ZKEXXEPGDHVILU-HSZRJFAPSA-N 0 0 476.528 3.174 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@](C)(O)c2cccs2)cc1C ZINC001492311564 1065391252 /nfs/dbraw/zinc/39/12/52/1065391252.db2.gz NIBOVDXCFGMWGK-MBSDFSHPSA-N 0 0 492.667 3.312 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC(=O)NC(C)C)CC2)cc1 ZINC001492313211 1065391860 /nfs/dbraw/zinc/39/18/60/1065391860.db2.gz VMSNYVGMCOEGAT-SANMLTNESA-N 0 0 485.629 3.200 20 0 JGADRN Cc1ncsc1CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001492315471 1065392291 /nfs/dbraw/zinc/39/22/91/1065392291.db2.gz ARKDLJFMFFNECI-SFHVURJKSA-N 0 0 475.640 3.105 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCCCS2(=O)=O)cc1C ZINC001492321099 1065395336 /nfs/dbraw/zinc/39/53/36/1065395336.db2.gz WYEXPGCLRCGJPR-KRWDZBQOSA-N 0 0 460.522 3.440 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCS(=O)(=O)C(C)(C)C)cc1C ZINC001492321110 1065395398 /nfs/dbraw/zinc/39/53/98/1065395398.db2.gz XBGXYKXUIPERAE-UHFFFAOYSA-N 0 0 493.674 3.038 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@]2(O)CCO[C@@H]2C)cc1 ZINC001492322860 1065395935 /nfs/dbraw/zinc/39/59/35/1065395935.db2.gz BOPTXAQOUZKZBM-OPAMFIHVSA-N 0 0 494.518 3.094 20 0 JGADRN Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001492323229 1065395991 /nfs/dbraw/zinc/39/59/91/1065395991.db2.gz KOHTWMUQXIBXET-LJQANCHMSA-N 0 0 473.599 3.232 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CC2(S(C)(=O)=O)CCC2)cc1C ZINC001492324639 1065396511 /nfs/dbraw/zinc/39/65/11/1065396511.db2.gz BBBOLFDDKVKOAK-UHFFFAOYSA-N 0 0 459.572 3.066 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001492323495 1065396547 /nfs/dbraw/zinc/39/65/47/1065396547.db2.gz RFVGGWCHXQNDIM-LJQANCHMSA-N 0 0 455.584 3.022 20 0 JGADRN Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1CCN1CCOC[C@H]1C ZINC001492323734 1065396648 /nfs/dbraw/zinc/39/66/48/1065396648.db2.gz WXFKXOCOXGWIAO-GOSISDBHSA-N 0 0 454.575 3.127 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2cccc3cccnc32)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001545691783 1065396762 /nfs/dbraw/zinc/39/67/62/1065396762.db2.gz IRTYDLWBPLWUQY-NJYVYQBISA-N 0 0 493.656 3.344 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3nc4ccsc4c(=O)[nH]3)n2CCNC(=O)C(C)C)cc1 ZINC001492325045 1065397631 /nfs/dbraw/zinc/39/76/31/1065397631.db2.gz HGRFSAIIKDEWSU-UHFFFAOYSA-N 0 0 495.609 3.284 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2CCC(=O)N2CCCCC2)cc1C ZINC001492326082 1065398294 /nfs/dbraw/zinc/39/82/94/1065398294.db2.gz WMUWUEYLYWFLKX-UHFFFAOYSA-N 0 0 463.586 3.303 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCCc3ccccn3)n2C[C@@]2(O)CCOC2)cc1C ZINC001492328966 1065399043 /nfs/dbraw/zinc/39/90/43/1065399043.db2.gz BZQXWTJNYSNGCB-VWLOTQADSA-N 0 0 451.571 3.089 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H]2CC=CCO2)cc1C ZINC001492329354 1065399626 /nfs/dbraw/zinc/39/96/26/1065399626.db2.gz JVUHJGXQXOISLI-HSZRJFAPSA-N 0 0 469.630 3.366 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CCN2CCOC[C@@H]2C)cc1C ZINC001492332358 1065402558 /nfs/dbraw/zinc/40/25/58/1065402558.db2.gz YFDHERZFTSQWIZ-GMAHTHKFSA-N 0 0 457.619 3.200 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2nnc(C(C)(C)C)s2)cc1 ZINC001492336412 1065403556 /nfs/dbraw/zinc/40/35/56/1065403556.db2.gz ATAFVOGPWKKRCV-INIZCTEOSA-N 0 0 469.615 3.030 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001492337645 1065405313 /nfs/dbraw/zinc/40/53/13/1065405313.db2.gz NUQOFTQLZHOARE-LJQANCHMSA-N 0 0 498.628 3.232 20 0 JGADRN Cc1ccc(OCc2nnc(N(Cc3ccco3)C(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C ZINC001492337612 1065405318 /nfs/dbraw/zinc/40/53/18/1065405318.db2.gz NGDQVSIFSRGUOZ-XMMPIXPASA-N 0 0 488.610 3.032 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCO2)cc1C ZINC001492337677 1065405352 /nfs/dbraw/zinc/40/53/52/1065405352.db2.gz NYWWCIITRSVIMC-XJUOHMSHSA-N 0 0 457.619 3.198 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@]4(CCOC4)OC(C)(C)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492338186 1065405980 /nfs/dbraw/zinc/40/59/80/1065405980.db2.gz KJWPGLMWIXAAKO-RPBOFIJWSA-N 0 0 458.603 3.347 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)s1 ZINC001492339018 1065406827 /nfs/dbraw/zinc/40/68/27/1065406827.db2.gz MUKMQSONSROBTP-DLBZAZTESA-N 0 0 454.600 3.401 20 0 JGADRN Cc1ccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@@H]2CCO[C@@H](C)C2)cc1C ZINC001492339794 1065407691 /nfs/dbraw/zinc/40/76/91/1065407691.db2.gz VWEVDUJUQZWCCM-VQTJNVASSA-N 0 0 476.643 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCOc2ncccc2Cl)cc1C ZINC001492340224 1065408395 /nfs/dbraw/zinc/40/83/95/1065408395.db2.gz RDFRQNVPVSXBQG-GOSISDBHSA-N 0 0 484.988 3.268 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCCNC(=O)OC(C)(C)C)cc1 ZINC001492340186 1065408400 /nfs/dbraw/zinc/40/84/00/1065408400.db2.gz QWNDZNYQVVCQLV-IBGZPJMESA-N 0 0 486.617 3.137 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC001492293995 1065408958 /nfs/dbraw/zinc/40/89/58/1065408958.db2.gz FTYITEOFEIJKCN-FCHUYYIVSA-N 0 0 471.646 3.353 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(F)(F)F)cc1 ZINC001492295613 1065410308 /nfs/dbraw/zinc/41/03/08/1065410308.db2.gz OVBLDJYSGWBGIX-CVEARBPZSA-N 0 0 460.522 3.345 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(c4nccs4)CC3)n2CC(=O)N(C)C)cc1C ZINC001492352755 1065414800 /nfs/dbraw/zinc/41/48/00/1065414800.db2.gz PXAHZBJDCRVPPB-UHFFFAOYSA-N 0 0 454.600 3.403 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccnc(C(F)(F)F)c2)cc1 ZINC001492353359 1065415665 /nfs/dbraw/zinc/41/56/65/1065415665.db2.gz XMNWASVWOLBMNP-QFIPXVFZSA-N 0 0 474.487 3.329 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccnc(C(F)(F)F)c2)cc1 ZINC001492353358 1065415672 /nfs/dbraw/zinc/41/56/72/1065415672.db2.gz XMNWASVWOLBMNP-JOCHJYFZSA-N 0 0 474.487 3.329 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492353226 1065415705 /nfs/dbraw/zinc/41/57/05/1065415705.db2.gz UQILQQWDGCTWNC-UYAOXDASSA-N 0 0 463.648 3.284 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CC(=O)N(C)C2CCCCC2)cc1C ZINC001492353932 1065417138 /nfs/dbraw/zinc/41/71/38/1065417138.db2.gz QLOOGTMABUKTPK-UHFFFAOYSA-N 0 0 469.630 3.474 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CCCO)CC3)n2CC2CCS(=O)(=O)CC2)cc1C ZINC001492353901 1065417269 /nfs/dbraw/zinc/41/72/69/1065417269.db2.gz PJTFMYVAZXDJTD-UHFFFAOYSA-N 0 0 490.670 3.288 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCCOC2CCOCC2)cc1C ZINC001492354098 1065418120 /nfs/dbraw/zinc/41/81/20/1065418120.db2.gz WUQVECDOGIAMFQ-UHFFFAOYSA-N 0 0 458.603 3.268 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCn2cc(Cl)cn2)cc1 ZINC001492359674 1065421536 /nfs/dbraw/zinc/42/15/36/1065421536.db2.gz LVAFJOXBLVRHMZ-UHFFFAOYSA-N 0 0 486.020 3.457 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@H]2CC=CCC2)cc1 ZINC001492360399 1065422269 /nfs/dbraw/zinc/42/22/69/1065422269.db2.gz SPVPTQQTMJDQIF-IBGZPJMESA-N 0 0 459.616 3.040 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1C ZINC001492360537 1065422433 /nfs/dbraw/zinc/42/24/33/1065422433.db2.gz WBTXVCISACANBU-GOSISDBHSA-N 0 0 483.585 3.133 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCCCCS(C)(=O)=O)cc1C ZINC001492363439 1065424949 /nfs/dbraw/zinc/42/49/49/1065424949.db2.gz JNMWXWDGTPBMLJ-UHFFFAOYSA-N 0 0 499.637 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 ZINC001492363586 1065425007 /nfs/dbraw/zinc/42/50/07/1065425007.db2.gz KJSDNXBZHIEXHS-FCHUYYIVSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[C@@H]2CCO[C@H](C)C2)cc1 ZINC001492363899 1065425744 /nfs/dbraw/zinc/42/57/44/1065425744.db2.gz OEESHPMABLPETJ-WOJBJXKFSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCOCC(F)F)cc1C ZINC001492364264 1065426502 /nfs/dbraw/zinc/42/65/02/1065426502.db2.gz VARKYAMLXJEFMV-UHFFFAOYSA-N 0 0 459.497 3.419 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@]2(O)CCO[C@@H]2C)cc1C ZINC001492364244 1065426506 /nfs/dbraw/zinc/42/65/06/1065426506.db2.gz UJYIDKZDVXLZPB-NLFFAJNJSA-N 0 0 458.603 3.408 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4c(ccnc4N(C)C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492364000 1065426539 /nfs/dbraw/zinc/42/65/39/1065426539.db2.gz QINAMTSTWIVSQT-UHFFFAOYSA-N 0 0 491.640 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CCCc2cnn(C)n2)cc1 ZINC001492367174 1065427294 /nfs/dbraw/zinc/42/72/94/1065427294.db2.gz ATTFJWJNMDAGLJ-UHFFFAOYSA-N 0 0 472.391 3.416 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492369604 1065429541 /nfs/dbraw/zinc/42/95/41/1065429541.db2.gz PBCXBCCSSQYWIE-UHFFFAOYSA-N 0 0 463.648 3.428 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCC(=O)N2CCOCC2)cc1 ZINC001492369792 1065430183 /nfs/dbraw/zinc/43/01/83/1065430183.db2.gz BXZVFJQXWSWFQV-JOCHJYFZSA-N 0 0 485.629 3.198 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CC[C@H](F)C2)cc1 ZINC001492370347 1065432797 /nfs/dbraw/zinc/43/27/97/1065432797.db2.gz INTLKAGLKJPSOG-HBFSDRIKSA-N 0 0 450.580 3.317 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1C ZINC001492370995 1065434323 /nfs/dbraw/zinc/43/43/23/1065434323.db2.gz WISQRGMGOQWXHP-MSOLQXFVSA-N 0 0 468.570 3.390 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1C ZINC001492370996 1065434382 /nfs/dbraw/zinc/43/43/82/1065434382.db2.gz WISQRGMGOQWXHP-QZTJIDSGSA-N 0 0 468.570 3.390 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC001492370999 1065434471 /nfs/dbraw/zinc/43/44/71/1065434471.db2.gz WISQRGMGOQWXHP-ZWKOTPCHSA-N 0 0 468.570 3.390 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCNC(=O)OC(C)(C)C)cc1C ZINC001492370968 1065434500 /nfs/dbraw/zinc/43/45/00/1065434500.db2.gz WDQRXVGJDDBJGD-LJQANCHMSA-N 0 0 486.617 3.090 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[C@@H]2CCCCO2)cc1 ZINC001492370894 1065434542 /nfs/dbraw/zinc/43/45/42/1065434542.db2.gz MNVSGXKMSSYTJT-PZJWPPBQSA-N 0 0 462.616 3.138 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCN2CCOC[C@H]2C)cc1 ZINC001492371362 1065435248 /nfs/dbraw/zinc/43/52/48/1065435248.db2.gz PQQCNTZCLGIKIK-FGZHOGPDSA-N 0 0 498.672 3.017 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@](C)(O)c2cccs2)cc1 ZINC001492372266 1065437399 /nfs/dbraw/zinc/43/73/99/1065437399.db2.gz XUNKFARFVARTLR-WMZHIEFXSA-N 0 0 490.651 3.148 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)c2nccs2)cc1 ZINC001492372296 1065437441 /nfs/dbraw/zinc/43/74/41/1065437441.db2.gz XXLHFFOOCSFPSG-MJGOQNOKSA-N 0 0 475.640 3.439 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(F)cn2)cc1C ZINC001492372425 1065438006 /nfs/dbraw/zinc/43/80/06/1065438006.db2.gz ZTCFQCXQTIDYSS-OAQYLSRUSA-N 0 0 473.574 3.070 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](n4cncn4)C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001492372373 1065438026 /nfs/dbraw/zinc/43/80/26/1065438026.db2.gz YVIOLPWZZSHGHQ-DUTUXMCTSA-N 0 0 471.631 3.146 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2CCC2(C)CC2)cc1C ZINC001492372375 1065438146 /nfs/dbraw/zinc/43/81/46/1065438146.db2.gz YYSVUFQTGLLLLR-FQEVSTJZSA-N 0 0 475.659 3.430 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@](C)(O)c2ccco2)cc1 ZINC001492376612 1065438830 /nfs/dbraw/zinc/43/88/30/1065438830.db2.gz BUSWEEMPGUNMJU-SANMLTNESA-N 0 0 481.597 3.361 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](C)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492376823 1065438839 /nfs/dbraw/zinc/43/88/39/1065438839.db2.gz DMTFPQJXNPRYHQ-PMACEKPBSA-N 0 0 461.632 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]3Cc3cccs3)n2CCNS(C)(=O)=O)cc1C ZINC001492377688 1065442318 /nfs/dbraw/zinc/44/23/18/1065442318.db2.gz URGVDXJPUOOFCT-LJQANCHMSA-N 0 0 489.667 3.296 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H]3c3nncn3C)n2CC[S@@](=O)C(C)(C)C)cc1C ZINC001492378290 1065443040 /nfs/dbraw/zinc/44/30/40/1065443040.db2.gz KZPPONQZJOACPK-GEMQDWRSSA-N 0 0 485.658 3.491 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCCn2cccn2)cc1C ZINC001492378758 1065443179 /nfs/dbraw/zinc/44/31/79/1065443179.db2.gz OOYDWHQPXAQWBY-JOCHJYFZSA-N 0 0 486.642 3.164 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1C ZINC001492379035 1065443881 /nfs/dbraw/zinc/44/38/81/1065443881.db2.gz OUXRZPKVIRDUHM-WOJBJXKFSA-N 0 0 498.596 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC2([S@@](C)=O)CC2)cc1 ZINC001492383355 1065447763 /nfs/dbraw/zinc/44/77/63/1065447763.db2.gz RBWROCFFIAAHMW-UAIZEJDJSA-N 0 0 485.576 3.149 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001492384668 1065451281 /nfs/dbraw/zinc/45/12/81/1065451281.db2.gz KIZBGWAITMZZIQ-UWJYYQICSA-N 0 0 485.576 3.106 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4ncc(F)cn4)CC3)n2CCOC(C)(C)C)cc1 ZINC001492384630 1065451298 /nfs/dbraw/zinc/45/12/98/1065451298.db2.gz ISRILUDETDLPDV-UHFFFAOYSA-N 0 0 469.565 3.236 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001492385373 1065453067 /nfs/dbraw/zinc/45/30/67/1065453067.db2.gz RIQCOOQTGLRAPF-UHFFFAOYSA-N 0 0 494.562 3.155 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2CCSC(C)C)cc1 ZINC001492386242 1065454612 /nfs/dbraw/zinc/45/46/12/1065454612.db2.gz ZHJSGTBFXCDIQZ-UHFFFAOYSA-N 0 0 453.616 3.424 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1 ZINC001492344281 1065458839 /nfs/dbraw/zinc/45/88/39/1065458839.db2.gz LPXMYCDUJCGYHG-PMACEKPBSA-N 0 0 455.603 3.428 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCCOCC(C)C)cc1C ZINC001492344472 1065458926 /nfs/dbraw/zinc/45/89/26/1065458926.db2.gz NILVHCWTXVYEPU-IRLDBZIGSA-N 0 0 455.603 3.251 20 0 JGADRN 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Cc1ccc(OCCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001492416996 1065477263 /nfs/dbraw/zinc/47/72/63/1065477263.db2.gz OJZPEKYMGAEUHY-LJQANCHMSA-N 0 0 476.002 3.394 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccco2)cc1 ZINC001492418138 1065478788 /nfs/dbraw/zinc/47/87/88/1065478788.db2.gz DCNXAFUEYGTGNX-RUZDIDTESA-N 0 0 476.537 3.250 20 0 JGADRN Cc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(C)cc2)sc1C ZINC001492420159 1065480353 /nfs/dbraw/zinc/48/03/53/1065480353.db2.gz AODNSCJJNJRTJC-LJQANCHMSA-N 0 0 489.667 3.320 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@@H](F)C2)cc1 ZINC001492420365 1065481094 /nfs/dbraw/zinc/48/10/94/1065481094.db2.gz DWGINMKFLIHLLT-IPMKNSEASA-N 0 0 450.580 3.142 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)cc1 ZINC001492420741 1065481176 /nfs/dbraw/zinc/48/11/76/1065481176.db2.gz IZOQCVSPSBUCKY-SFHVURJKSA-N 0 0 476.002 3.101 20 0 JGADRN Cc1ccc(OCCn2c(-c3cc(Br)cn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC001492424429 1065482958 /nfs/dbraw/zinc/48/29/58/1065482958.db2.gz JBUSIRIUBFSXIT-INIZCTEOSA-N 0 0 487.402 3.100 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2COCCO2)cc1 ZINC001492423900 1065483073 /nfs/dbraw/zinc/48/30/73/1065483073.db2.gz CSPNSZKIVVPMSY-YPAWHYETSA-N 0 0 458.603 3.436 20 0 JGADRN Cc1ccc(OCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 ZINC001492424452 1065483777 /nfs/dbraw/zinc/48/37/77/1065483777.db2.gz JXXNWUWYYXZRLO-KRWDZBQOSA-N 0 0 454.962 3.473 20 0 JGADRN Cc1ccc(OCCn2c(-c3cnccn3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC001492425920 1065484550 /nfs/dbraw/zinc/48/45/50/1065484550.db2.gz DBDZGNIYWMOOSL-UHFFFAOYSA-N 0 0 489.502 3.017 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001492426276 1065484603 /nfs/dbraw/zinc/48/46/03/1065484603.db2.gz GOUIVJFKHLTGCG-TZIWHRDSSA-N 0 0 498.628 3.452 20 0 JGADRN 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Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCS2)cc1 ZINC001492429159 1065487395 /nfs/dbraw/zinc/48/73/95/1065487395.db2.gz HGDCQDPWQOREAQ-VQTJNVASSA-N 0 0 493.699 3.181 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC001492435772 1065489591 /nfs/dbraw/zinc/48/95/91/1065489591.db2.gz ALKWZDKFRDDWHB-IRLDBZIGSA-N 0 0 459.660 3.461 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(N3CCS[C@@H](C)[C@H]3C)nnc2C(C)(C)C)s1 ZINC001492436076 1065490553 /nfs/dbraw/zinc/49/05/53/1065490553.db2.gz DFJUHACCNAKCNW-CABCVRRESA-N 0 0 457.691 3.254 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(N3CCS[C@H](C)[C@@H]3C)nnc2C(C)(C)C)s1 ZINC001492436082 1065490624 /nfs/dbraw/zinc/49/06/24/1065490624.db2.gz DFJUHACCNAKCNW-LSDHHAIUSA-N 0 0 457.691 3.254 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ncccc2N(C)C)cc1 ZINC001492436180 1065490633 /nfs/dbraw/zinc/49/06/33/1065490633.db2.gz FVLXCKGOENMLTQ-KRWDZBQOSA-N 0 0 453.616 3.088 20 0 JGADRN 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1065502067 /nfs/dbraw/zinc/50/20/67/1065502067.db2.gz QIZFBQNDSLSEJG-UHFFFAOYSA-N 0 0 495.740 3.494 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H]2COCCO2)cc1 ZINC001492453765 1065504629 /nfs/dbraw/zinc/50/46/29/1065504629.db2.gz RMMYCQVDPIPFEH-RYRKJORJSA-N 0 0 472.533 3.450 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CCCS(C)(=O)=O)cc1 ZINC001492454274 1065505084 /nfs/dbraw/zinc/50/50/84/1065505084.db2.gz WZXOEDVULRBXPB-IBGZPJMESA-N 0 0 478.684 3.445 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCNS(C)(=O)=O)n2C[C@H]2CC[C@H](F)C2)cc1 ZINC001492454704 1065505114 /nfs/dbraw/zinc/50/51/14/1065505114.db2.gz YXEWNZJRZNIZAG-IRXDYDNUSA-N 0 0 455.625 3.002 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2nccc(C(F)F)n2)cc1 ZINC001492454060 1065505186 /nfs/dbraw/zinc/50/51/86/1065505186.db2.gz VOYOHNJSFGJLLZ-HNNXBMFYSA-N 0 0 473.553 3.322 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(N3CCN(C(=O)C(C)(C)C)CC3)nnc2C(C)(C)C)c1 ZINC001492478910 1065505759 /nfs/dbraw/zinc/50/57/59/1065505759.db2.gz BSHFPCUTNWHAOV-UHFFFAOYSA-N 0 0 454.619 3.009 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ncccc2N(C)C)cc1 ZINC001492457153 1065506716 /nfs/dbraw/zinc/50/67/16/1065506716.db2.gz WHCDMQVJRULQJK-DEOSSOPVSA-N 0 0 465.627 3.090 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCS(=O)(=O)N2CCSCC2)cc1 ZINC001492456515 1065506826 /nfs/dbraw/zinc/50/68/26/1065506826.db2.gz QCDFRGQKARRZLG-OALUTQOASA-N 0 0 495.740 3.492 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCC(C)C)cc1 ZINC001492459714 1065507593 /nfs/dbraw/zinc/50/75/93/1065507593.db2.gz GXYMGOIWZIYRLL-UHFFFAOYSA-N 0 0 451.662 3.443 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@H]2CCO[C@H](C)C2)cc1 ZINC001492460527 1065509340 /nfs/dbraw/zinc/50/93/40/1065509340.db2.gz ZKTMZXVZGYPYKI-RTBURBONSA-N 0 0 493.699 3.212 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@H]2CCC=CO2)cc1 ZINC001492460394 1065509370 /nfs/dbraw/zinc/50/93/70/1065509370.db2.gz XCHXVMPXCHJVTM-LJQANCHMSA-N 0 0 477.656 3.090 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCCCCO)cc1 ZINC001492462984 1065510845 /nfs/dbraw/zinc/51/08/45/1065510845.db2.gz SNUOQZDJYRTCIC-IBGZPJMESA-N 0 0 452.646 3.055 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCCC(=O)N(C)C)cc1 ZINC001492463642 1065511434 /nfs/dbraw/zinc/51/14/34/1065511434.db2.gz VBQQUWFIIFMMGT-FQEVSTJZSA-N 0 0 486.686 3.488 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCC[C@@H](O)C2)cc1 ZINC001492464092 1065511601 /nfs/dbraw/zinc/51/16/01/1065511601.db2.gz YKMJUBRZWRSFLL-ZVDOUQERSA-N 0 0 478.684 3.443 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCC=CO2)cc1 ZINC001492465875 1065513173 /nfs/dbraw/zinc/51/31/73/1065513173.db2.gz OGABMMSHXKUWKE-IBGZPJMESA-N 0 0 477.656 3.043 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@H]2CCC[C@H]2C)cc1 ZINC001492466037 1065513745 /nfs/dbraw/zinc/51/37/45/1065513745.db2.gz UFHUVBXAWZVVLF-RTWAWAEBSA-N 0 0 498.697 3.488 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001492466073 1065513819 /nfs/dbraw/zinc/51/38/19/1065513819.db2.gz VXLFQACCIAWQFW-FQEVSTJZSA-N 0 0 477.700 3.234 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@H]2CCC[C@@H]2C)cc1 ZINC001492466038 1065513869 /nfs/dbraw/zinc/51/38/69/1065513869.db2.gz UFHUVBXAWZVVLF-SFTDATJTSA-N 0 0 498.697 3.488 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(=O)NC(C)C)cc1 ZINC001492467459 1065514224 /nfs/dbraw/zinc/51/42/24/1065514224.db2.gz FDLLFMKNNREHDZ-INIZCTEOSA-N 0 0 457.522 3.171 20 0 JGADRN Cc1nccn1CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001492467321 1065514362 /nfs/dbraw/zinc/51/43/62/1065514362.db2.gz CODJOVGEEVNBIB-UHFFFAOYSA-N 0 0 461.586 3.471 20 0 JGADRN Cc1nc2n(n1)CCN(c1nnc(CSc3ccc(C)cc3)n1CCCCCS(C)(=O)=O)C2 ZINC001492467935 1065515476 /nfs/dbraw/zinc/51/54/76/1065515476.db2.gz QOBDLNHUMMHGEI-UHFFFAOYSA-N 0 0 489.671 3.014 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 ZINC001492468358 1065516468 /nfs/dbraw/zinc/51/64/68/1065516468.db2.gz AWKOPQPECZZYHF-NSHGMRRFSA-N 0 0 464.657 3.460 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCS[C@H](C)[C@H]3C)n2CCCn2cc(CO)nn2)cc1 ZINC001492469053 1065517489 /nfs/dbraw/zinc/51/74/89/1065517489.db2.gz XOMAWARGFDKZOV-QZTJIDSGSA-N 0 0 473.672 3.383 20 0 JGADRN Cc1cc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CCSc3ccc(C)cc3)CC2)on1 ZINC001492469207 1065517855 /nfs/dbraw/zinc/51/78/55/1065517855.db2.gz CIJZGBZEOBFZRZ-UHFFFAOYSA-N 0 0 483.642 3.136 20 0 JGADRN Cc1ccc(SCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001492469139 1065517946 /nfs/dbraw/zinc/51/79/46/1065517946.db2.gz ABWFZUZRNLFCAA-LJQANCHMSA-N 0 0 486.642 3.387 20 0 JGADRN Cc1ccc(SCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 ZINC001492469205 1065518001 /nfs/dbraw/zinc/51/80/01/1065518001.db2.gz CGZAQGWSOLKTML-FQEVSTJZSA-N 0 0 470.643 3.025 20 0 JGADRN Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC001492469275 1065518528 /nfs/dbraw/zinc/51/85/28/1065518528.db2.gz FVJCUGXMXCRPHR-DVECYGJZSA-N 0 0 473.643 3.291 20 0 JGADRN Cc1ccc(SCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC001492469743 1065518906 /nfs/dbraw/zinc/51/89/06/1065518906.db2.gz SKRUOTVJTNTVIJ-WMZOPIPTSA-N 0 0 482.576 3.403 20 0 JGADRN Cc1ccc(SCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)C2)cc1 ZINC001492469877 1065519546 /nfs/dbraw/zinc/51/95/46/1065519546.db2.gz UWOQQSCEGRJNNR-UHFFFAOYSA-N 0 0 461.389 3.073 20 0 JGADRN Cc1ccc(SCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001492469898 1065519570 /nfs/dbraw/zinc/51/95/70/1065519570.db2.gz VKIQFEZTLHPPSP-KZNAEPCWSA-N 0 0 452.646 3.141 20 0 JGADRN Cc1ccc(SCCn2c(N3CC[C@@](C)(C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001492470011 1065519667 /nfs/dbraw/zinc/51/96/67/1065519667.db2.gz GYXKALSSRISATO-DNQXCXABSA-N 0 0 473.643 3.121 20 0 JGADRN Cc1ccc(SCCn2c(N3CC[C@](C)(C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001492470010 1065519679 /nfs/dbraw/zinc/51/96/79/1065519679.db2.gz GYXKALSSRISATO-BJKOFHAPSA-N 0 0 473.643 3.121 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3cc(C)ccc32)c(C)o1 ZINC001492470167 1065520090 /nfs/dbraw/zinc/52/00/90/1065520090.db2.gz IJWSLQGIBDMXMG-QMHKHESXSA-N 0 0 473.599 3.008 20 0 JGADRN Cc1ccc2c(c1)CCN2c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F ZINC001492470803 1065520486 /nfs/dbraw/zinc/52/04/86/1065520486.db2.gz BASMDMMPMCSWBG-HNNXBMFYSA-N 0 0 476.496 3.100 20 0 JGADRN Cc1ccc2c(CCn3c(C(=O)NC(C)C)nnc3N3CCO[C@H](COC(C)C)C3)c[nH]c2c1 ZINC001492471053 1065521185 /nfs/dbraw/zinc/52/11/85/1065521185.db2.gz IENAXVXQDMXFLL-FQEVSTJZSA-N 0 0 468.602 3.079 20 0 JGADRN Cc1ccc2c(CCn3c([C@@H]4CCCOC4)nnc3N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c[nH]c2c1 ZINC001492471565 1065522308 /nfs/dbraw/zinc/52/23/08/1065522308.db2.gz QNQMOQFDRPKCCH-QWFCFKBJSA-N 0 0 473.643 3.462 20 0 JGADRN Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)C)n3CCCO[C@@H]3CCOC3)CC2)c1 ZINC001492471773 1065523108 /nfs/dbraw/zinc/52/31/08/1065523108.db2.gz ULCLRCIBMOZIJW-JOCHJYFZSA-N 0 0 455.603 3.258 20 0 JGADRN Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)C)n3CCCO[C@H]3CCOC3)CC2)c1 ZINC001492471774 1065523171 /nfs/dbraw/zinc/52/31/71/1065523171.db2.gz ULCLRCIBMOZIJW-QFIPXVFZSA-N 0 0 455.603 3.258 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(-c3cccn3C)nnc2N2CC[C@H](OCC(C)C)C2)c1 ZINC001492472042 1065523327 /nfs/dbraw/zinc/52/33/27/1065523327.db2.gz YQDIOLNBALERLH-NRFANRHFSA-N 0 0 450.587 3.273 20 0 JGADRN Cc1ccc2c(CCn3c(CNC(=O)c4cccs4)nnc3N(C)CC(=O)NC(C)C)c[nH]c2c1 ZINC001492471741 1065523352 /nfs/dbraw/zinc/52/33/52/1065523352.db2.gz SZILHMLCKHYLKY-UHFFFAOYSA-N 0 0 493.637 3.263 20 0 JGADRN Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCNC(=O)c2cccc(C)c2)cs1 ZINC001492478036 1065523827 /nfs/dbraw/zinc/52/38/27/1065523827.db2.gz CAERMFGXYLCZQI-MRXNPFEDSA-N 0 0 456.641 3.314 20 0 JGADRN CO[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2nnc(C)s2)CC[C@H]1C 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1065527505 /nfs/dbraw/zinc/52/75/05/1065527505.db2.gz IKNMRKCAGJSWSU-OYSPMZIOSA-N 0 0 465.595 3.007 20 0 JGADRN CC(=O)N(CCC(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1)Cc1ccccc1 ZINC001300796793 1065527849 /nfs/dbraw/zinc/52/78/49/1065527849.db2.gz PCUPUGCBZYRMSQ-HSZRJFAPSA-N 0 0 459.384 3.224 20 0 JGADRN CC(=O)N(CCC(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1)Cc1ccccc1 ZINC001300796794 1065527866 /nfs/dbraw/zinc/52/78/66/1065527866.db2.gz PCUPUGCBZYRMSQ-QHCPKHFHSA-N 0 0 459.384 3.224 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(C(N)=O)c2)CC[C@@H]1C ZINC001300796865 1065528005 /nfs/dbraw/zinc/52/80/05/1065528005.db2.gz UMSGKDBSZUGKTF-LIRRHRJNSA-N 0 0 487.402 3.055 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CSCCS2)CC1(C)C ZINC001300796872 1065528030 /nfs/dbraw/zinc/52/80/30/1065528030.db2.gz LSXNKONGQQKKEM-CBGDNZLLSA-N 0 0 456.678 3.029 20 0 JGADRN CO[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1(C)C ZINC001300797021 1065528410 /nfs/dbraw/zinc/52/84/10/1065528410.db2.gz 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C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1CCc1cccc2[nH]ccc21 ZINC001301986738 1066300244 /nfs/dbraw/zinc/30/02/44/1066300244.db2.gz FKFWPHRSKZGGTJ-IRXDYDNUSA-N 0 0 452.584 3.322 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1CCc1cccc2[nH]ccc21 ZINC001301986737 1066300303 /nfs/dbraw/zinc/30/03/03/1066300303.db2.gz FKFWPHRSKZGGTJ-IAGOWNOFSA-N 0 0 452.584 3.322 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cccnc2)n1CCCN(C)c1ccccc1)S(C)(=O)=O ZINC001301986976 1066300873 /nfs/dbraw/zinc/30/08/73/1066300873.db2.gz GGOYUYGOTUWNPK-RBUKOAKNSA-N 0 0 456.616 3.124 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCc2nccn2C1 ZINC001301987038 1066301224 /nfs/dbraw/zinc/30/12/24/1066301224.db2.gz GRVPBBKFDMOAEC-BZUAXINKSA-N 0 0 495.024 3.455 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCc2nccn2C1 ZINC001301987041 1066301461 /nfs/dbraw/zinc/30/14/61/1066301461.db2.gz GRVPBBKFDMOAEC-PMPSAXMXSA-N 0 0 495.024 3.455 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCOc1ncccc1Cl ZINC001301987251 1066301675 /nfs/dbraw/zinc/30/16/75/1066301675.db2.gz AEEDSLNXLYZNRT-IIAWOOMASA-N 0 0 493.914 3.286 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CCC(F)(F)CC1 ZINC001301987598 1066302224 /nfs/dbraw/zinc/30/22/24/1066302224.db2.gz ADSYXDKFEKBYTR-ZIAGYGMSSA-N 0 0 487.573 3.089 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CCOc1ncccc1F ZINC001301987544 1066302336 /nfs/dbraw/zinc/30/23/36/1066302336.db2.gz ILUKBFFEXIKAPN-SJORKVTESA-N 0 0 498.584 3.364 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCn2ccnc21 ZINC001301987499 1066302410 /nfs/dbraw/zinc/30/24/10/1066302410.db2.gz IBLXAEJWPQSMSY-BFYDXBDKSA-N 0 0 478.022 3.025 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1Cc1cccc(C(F)F)c1 ZINC001301987683 1066302699 /nfs/dbraw/zinc/30/26/99/1066302699.db2.gz CXPKZPAGCUJIRL-SEPYTNNBSA-N 0 0 466.529 3.372 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1cc(C2CC2)ccc1F ZINC001301987652 1066302843 /nfs/dbraw/zinc/30/28/43/1066302843.db2.gz AWQSENDMKIVCAF-GJZGRUSLSA-N 0 0 458.563 3.058 20 0 JGADRN COCCC1(Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)[C@H](C)CC(N)=O)CCCC1 ZINC001301481787 1066303525 /nfs/dbraw/zinc/30/35/25/1066303525.db2.gz XCKSOXXZSHEDRH-XLIONFOSSA-N 0 0 457.575 3.088 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1Cc1c(F)cccc1Cl ZINC001301987991 1066304019 /nfs/dbraw/zinc/30/40/19/1066304019.db2.gz FWAGLECEQRCBMH-BZUAXINKSA-N 0 0 456.946 3.083 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CC(C)(C)C(F)(F)F ZINC001301988875 1066305406 /nfs/dbraw/zinc/30/54/06/1066305406.db2.gz IMNTYCUGIMXMCX-RZQQEMMASA-N 0 0 464.529 3.365 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCSC1(C)C ZINC001301988905 1066305491 /nfs/dbraw/zinc/30/54/91/1066305491.db2.gz NBSMSWZRHVBQAH-INMHGKMJSA-N 0 0 480.656 3.463 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(F)(F)F ZINC001301988804 1066305579 /nfs/dbraw/zinc/30/55/79/1066305579.db2.gz FSBKXHODYOUVFE-ILXRZTDVSA-N 0 0 497.584 3.213 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@H](C1CC1)[NH+](C)C ZINC001301989018 1066305902 /nfs/dbraw/zinc/30/59/02/1066305902.db2.gz NRZHFCSREGZDFM-CBGDNZLLSA-N 0 0 470.643 3.091 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCSCC(F)(F)F ZINC001301989171 1066306279 /nfs/dbraw/zinc/30/62/79/1066306279.db2.gz GOSFWWYTDFTCKX-HZSPNIEDSA-N 0 0 458.572 3.073 20 0 JGADRN COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)c2cccc(C)c2)CCCC1 ZINC001301483802 1066306513 /nfs/dbraw/zinc/30/65/13/1066306513.db2.gz MILVTBGEYFXYJL-OAQYLSRUSA-N 0 0 491.658 3.284 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1Cc1ccccc1OCC1CC1 ZINC001301989434 1066306727 /nfs/dbraw/zinc/30/67/27/1066306727.db2.gz OZLBFKFKZIHIPD-QZTJIDSGSA-N 0 0 471.627 3.379 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1Cc1cccc(C2OCCO2)c1 ZINC001301989655 1066307231 /nfs/dbraw/zinc/30/72/31/1066307231.db2.gz MOVLHGPACFGFOT-ROUUACIJSA-N 0 0 460.575 3.100 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001301989583 1066307321 /nfs/dbraw/zinc/30/73/21/1066307321.db2.gz LMEFSXCBAUAWFI-PTWDOSRHSA-N 0 0 462.591 3.123 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1CCn1cc(Br)cn1 ZINC001301989965 1066307797 /nfs/dbraw/zinc/30/77/97/1066307797.db2.gz QUNWBWIJQSAPDD-KBPBESRZSA-N 0 0 499.410 3.001 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001301989893 1066307914 /nfs/dbraw/zinc/30/79/14/1066307914.db2.gz NVJLMTGULLIHIB-GJZGRUSLSA-N 0 0 457.497 3.468 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1CCn1cc(Br)cn1 ZINC001301989968 1066308486 /nfs/dbraw/zinc/30/84/86/1066308486.db2.gz QUNWBWIJQSAPDD-ZIAGYGMSSA-N 0 0 499.410 3.001 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CCN1CCOCC1(C)C ZINC001301990490 1066308848 /nfs/dbraw/zinc/30/88/48/1066308848.db2.gz PPXURUFOBIAIPU-SBHAEUEKSA-N 0 0 493.674 3.141 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1=CCCOC1)S(C)(=O)=O ZINC001301990443 1066309012 /nfs/dbraw/zinc/30/90/12/1066309012.db2.gz KRWVLXRVLNBXAR-DLBZAZTESA-N 0 0 457.600 3.041 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CCOC1CCCCCC1 ZINC001301990693 1066309768 /nfs/dbraw/zinc/30/97/68/1066309768.db2.gz SRWCBPUMEZHQKB-ROUUACIJSA-N 0 0 451.637 3.281 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CCc1ccn(C)n1 ZINC001301990802 1066310114 /nfs/dbraw/zinc/31/01/14/1066310114.db2.gz QWBACMZBTILDOT-HLIPFELVSA-N 0 0 460.604 3.006 20 0 JGADRN COCCC1(Cn2c(Cc3cccnc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CCCC1 ZINC001301487523 1066310399 /nfs/dbraw/zinc/31/03/99/1066310399.db2.gz WZAZCGLIAFJKQS-NRFANRHFSA-N 0 0 475.659 3.264 20 0 JGADRN COCCC1(Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CCC1 ZINC001301487976 1066310982 /nfs/dbraw/zinc/31/09/82/1066310982.db2.gz DKLSTBCZFTUCNI-IBGZPJMESA-N 0 0 460.648 3.145 20 0 JGADRN COCCC1(Cn2c(CC3CC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CCCC1 ZINC001301488351 1066311204 /nfs/dbraw/zinc/31/12/04/1066311204.db2.gz KIFJEKGYHWSICL-KRWDZBQOSA-N 0 0 457.541 3.332 20 0 JGADRN COCCC1(Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)COC)CC2)CCCCC1 ZINC001301489150 1066312151 /nfs/dbraw/zinc/31/21/51/1066312151.db2.gz VRNXRPMIQCCJGT-UHFFFAOYSA-N 0 0 475.659 3.212 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2)n1Cc1cccc(Br)n1 ZINC001301991726 1066312339 /nfs/dbraw/zinc/31/23/39/1066312339.db2.gz XXDQPOJRIUGSGY-CABCVRRESA-N 0 0 478.416 3.409 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001301991676 1066312385 /nfs/dbraw/zinc/31/23/85/1066312385.db2.gz VHUGHLXHGPQTMT-YBJWPOLQSA-N 0 0 462.566 3.329 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CC1(OC)CCCCC1 ZINC001301991857 1066313153 /nfs/dbraw/zinc/31/31/53/1066313153.db2.gz AYELZOLKEWDWLK-UXHICEINSA-N 0 0 450.624 3.483 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cccnc2)n1CCc1ccc(F)c(F)c1F)S(C)(=O)=O ZINC001301992101 1066313415 /nfs/dbraw/zinc/31/34/15/1066313415.db2.gz YIJZWDLUJYDHSE-UONOGXRCSA-N 0 0 467.517 3.258 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001301991906 1066313730 /nfs/dbraw/zinc/31/37/30/1066313730.db2.gz BRCAGGISVMWYBN-UTBIRPSLSA-N 0 0 477.606 3.109 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001301991981 1066313806 /nfs/dbraw/zinc/31/38/06/1066313806.db2.gz WMSFVYQWRWIHFS-KSZLIROESA-N 0 0 460.575 3.322 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1Cc1coc(-c2ccccc2)n1 ZINC001301992136 1066314274 /nfs/dbraw/zinc/31/42/74/1066314274.db2.gz YPLGFDHERGRKSE-IRXDYDNUSA-N 0 0 466.567 3.301 20 0 JGADRN CC(C)(C)OC(=O)[C@@](C)(NC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC001301490395 1066314326 /nfs/dbraw/zinc/31/43/26/1066314326.db2.gz XDUCDDCYZBQGRI-BNHRFMORSA-N 0 0 459.564 3.329 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCC(F)(F)C1 ZINC001301992273 1066314752 /nfs/dbraw/zinc/31/47/52/1066314752.db2.gz ZFDIWIDKPBILSX-OAGGEKHMSA-N 0 0 484.569 3.410 20 0 JGADRN CC(C)n1nc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CCC2CC2)c2ccccc2c1=O ZINC001301992833 1066315217 /nfs/dbraw/zinc/31/52/17/1066315217.db2.gz QXLVHMQAUARARJ-IAGOWNOFSA-N 0 0 486.642 3.294 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CCCOC1CCOCC1 ZINC001301992577 1066315362 /nfs/dbraw/zinc/31/53/62/1066315362.db2.gz ZUROIWCUDMWWID-IRXDYDNUSA-N 0 0 485.050 3.442 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1Cc1c(C)nn(C)c1C ZINC001301992796 1066315803 /nfs/dbraw/zinc/31/58/03/1066315803.db2.gz ZLOBAPQFCPDKOC-HCLVMJGWSA-N 0 0 468.602 3.367 20 0 JGADRN 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JGADRN COCCC1(C(=O)NC2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)CCCC1 ZINC001301493180 1066318364 /nfs/dbraw/zinc/31/83/64/1066318364.db2.gz AZLQLYJHKBYINF-UHFFFAOYSA-N 0 0 453.624 3.338 20 0 JGADRN O=C(Nc1cc(-c2cccnc2)nn1CCO)c1ccn(-c2ccc(Br)cc2)n1 ZINC001301493922 1066318609 /nfs/dbraw/zinc/31/86/09/1066318609.db2.gz GMRRZHNJPXWCNE-UHFFFAOYSA-N 0 0 453.300 3.138 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(OC2CCCC2)nc1 ZINC001301993839 1066319199 /nfs/dbraw/zinc/31/91/99/1066319199.db2.gz AFHJZAYCORSMAI-RTBURBONSA-N 0 0 498.653 3.286 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC(C)(C)N1CCOCC1 ZINC001301994108 1066319287 /nfs/dbraw/zinc/31/92/87/1066319287.db2.gz MMCXPIZHIJBVJC-IBGZPJMESA-N 0 0 475.634 3.295 20 0 JGADRN COCCO[C@H](C)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC(C)(C)N1CCOCC1 ZINC001301994111 1066319869 /nfs/dbraw/zinc/31/98/69/1066319869.db2.gz MMCXPIZHIJBVJC-LJQANCHMSA-N 0 0 475.634 3.295 20 0 JGADRN 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3.297 20 0 JGADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)s1 ZINC001304349395 1067390682 /nfs/dbraw/zinc/39/06/82/1067390682.db2.gz HCRRUSYSFRYJKA-HNAYVOBHSA-N 0 0 479.603 3.024 20 0 JGADRN Cc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CS(C)(=O)=O)cn1 ZINC001304349830 1067391033 /nfs/dbraw/zinc/39/10/33/1067391033.db2.gz OASXJDKPVLSVSR-SJORKVTESA-N 0 0 461.563 3.178 20 0 JGADRN CSCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001302802264 1067391037 /nfs/dbraw/zinc/39/10/37/1067391037.db2.gz IUWSOBOYNVXZQV-IBGZPJMESA-N 0 0 476.624 3.494 20 0 JGADRN CC(C)CC(=O)Nc1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H]2CCCO2)c1 ZINC001302802582 1067391204 /nfs/dbraw/zinc/39/12/04/1067391204.db2.gz FYRPCNWGWRFXMJ-OAQYLSRUSA-N 0 0 468.602 3.049 20 0 JGADRN CSCCCn1c(-c2ccccc2Br)nnc1N(C)CCN1CCOCC1 ZINC001302802428 1067391284 /nfs/dbraw/zinc/39/12/84/1067391284.db2.gz APMSGHNVTBNZES-UHFFFAOYSA-N 0 0 454.438 3.229 20 0 JGADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)c(C)c1 ZINC001304349976 1067391519 /nfs/dbraw/zinc/39/15/19/1067391519.db2.gz NUIYEVQUBWQYSF-GOSISDBHSA-N 0 0 489.045 3.424 20 0 JGADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC001304350386 1067391736 /nfs/dbraw/zinc/39/17/36/1067391736.db2.gz KKGLRJKBOIKBQD-DOTOQJQBSA-N 0 0 459.538 3.332 20 0 JGADRN CSCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001302803052 1067391792 /nfs/dbraw/zinc/39/17/92/1067391792.db2.gz PPXOKUQWXMACKC-UHFFFAOYSA-N 0 0 452.510 3.453 20 0 JGADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)s1 ZINC001304350455 1067391967 /nfs/dbraw/zinc/39/19/67/1067391967.db2.gz LFTFOVAEQPDKKV-HZPDHXFCSA-N 0 0 493.659 3.197 20 0 JGADRN Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)c(=O)n1C ZINC001304350474 1067391992 /nfs/dbraw/zinc/39/19/92/1067391992.db2.gz UEVZJJCHHOVPEP-SFHVURJKSA-N 0 0 485.654 3.167 20 0 JGADRN CSCCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001302803851 1067392160 /nfs/dbraw/zinc/39/21/60/1067392160.db2.gz YWONLAAWVGZYGB-LLVKDONJSA-N 0 0 467.480 3.392 20 0 JGADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cn1 ZINC001304350840 1067392430 /nfs/dbraw/zinc/39/24/30/1067392430.db2.gz NETLSHZQHMXHOL-UHFFFAOYSA-N 0 0 451.550 3.053 20 0 JGADRN Cc1ccc(Cn2c(-c3ccccc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)c(=O)n1C ZINC001304351139 1067392715 /nfs/dbraw/zinc/39/27/15/1067392715.db2.gz GEZWPWDLGQDBSU-UHFFFAOYSA-N 0 0 459.472 3.348 20 0 JGADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001302804881 1067392763 /nfs/dbraw/zinc/39/27/63/1067392763.db2.gz FFNLBOJCKDDJRW-FYYLOGMGSA-N 0 0 483.661 3.345 20 0 JGADRN Cc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC(N)=O)CC2)cn1 ZINC001304351277 1067393038 /nfs/dbraw/zinc/39/30/38/1067393038.db2.gz OALRIFDXBIVKMK-QGZVFWFLSA-N 0 0 452.534 3.401 20 0 JGADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC001302805476 1067393477 /nfs/dbraw/zinc/39/34/77/1067393477.db2.gz ZJYMZJNZHJQERD-UHFFFAOYSA-N 0 0 495.628 3.030 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001302806454 1067393743 /nfs/dbraw/zinc/39/37/43/1067393743.db2.gz LODIRACHQCXNMP-FVJLSDCUSA-N 0 0 461.994 3.273 20 0 JGADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)o1 ZINC001302806014 1067393784 /nfs/dbraw/zinc/39/37/84/1067393784.db2.gz PDAWUHFKEZDZNX-UHFFFAOYSA-N 0 0 453.586 3.371 20 0 JGADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N(C)Cc2cnn(C)c2)c(OCC(F)(F)F)c1 ZINC001304353733 1067393912 /nfs/dbraw/zinc/39/39/12/1067393912.db2.gz CJMNZZYVVDNJDT-UHFFFAOYSA-N 0 0 472.475 3.403 20 0 JGADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(N(C)CCNS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 ZINC001302806519 1067394132 /nfs/dbraw/zinc/39/41/32/1067394132.db2.gz MHSCITRISFBBCF-IFMALSPDSA-N 0 0 489.686 3.185 20 0 JGADRN Cc1ccc(Cn2c(C3CCCC3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(N2CCOCC2)c1 ZINC001304354141 1067394324 /nfs/dbraw/zinc/39/43/24/1067394324.db2.gz GIPGAAFFHKEUDK-PMACEKPBSA-N 0 0 489.686 3.387 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccc(Cl)cc2)c(=O)n1C ZINC001304355361 1067395024 /nfs/dbraw/zinc/39/50/24/1067395024.db2.gz BEFKMZWNARPDOQ-SFHVURJKSA-N 0 0 457.962 3.006 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC001304355378 1067395130 /nfs/dbraw/zinc/39/51/30/1067395130.db2.gz AEBDCOHDODQONZ-FPOVZHCZSA-N 0 0 482.629 3.416 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC001304355377 1067395140 /nfs/dbraw/zinc/39/51/40/1067395140.db2.gz AEBDCOHDODQONZ-CTNGQTDRSA-N 0 0 482.629 3.416 20 0 JGADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2nc3ccsc3c(=O)[nH]2)c(=O)n1C ZINC001304355283 1067395164 /nfs/dbraw/zinc/39/51/64/1067395164.db2.gz ADQIUQUHJZVAKN-UHFFFAOYSA-N 0 0 467.599 3.269 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCN(C)C(=O)C2)c(C)c1 ZINC001304355932 1067395676 /nfs/dbraw/zinc/39/56/76/1067395676.db2.gz GAPMCNJBWUPJHX-NRFANRHFSA-N 0 0 482.629 3.336 20 0 JGADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCS(=O)(=O)CC2)c(OCC(F)(F)F)c1 ZINC001304355995 1067395893 /nfs/dbraw/zinc/39/58/93/1067395893.db2.gz AINIWPGJCSPJSP-UHFFFAOYSA-N 0 0 460.522 3.009 20 0 JGADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001302808128 1067396160 /nfs/dbraw/zinc/39/61/60/1067396160.db2.gz VLULGVIIXMMEMP-LADGPHEKSA-N 0 0 462.598 3.450 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001302808134 1067396307 /nfs/dbraw/zinc/39/63/07/1067396307.db2.gz VMUWGVVXQHFCPQ-ZVDOUQERSA-N 0 0 482.691 3.415 20 0 JGADRN Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c(C)c1 ZINC001304357199 1067396588 /nfs/dbraw/zinc/39/65/88/1067396588.db2.gz HNIPJKVWMHFSGZ-QFIPXVFZSA-N 0 0 453.612 3.333 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)c(=O)n1C ZINC001304358014 1067397102 /nfs/dbraw/zinc/39/71/02/1067397102.db2.gz PLQWGMPDZPSQFL-NFBKMPQASA-N 0 0 492.624 3.231 20 0 JGADRN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c1 ZINC001304358163 1067397137 /nfs/dbraw/zinc/39/71/37/1067397137.db2.gz HJPDYEAQHFCCFL-UXHICEINSA-N 0 0 479.643 3.234 20 0 JGADRN Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c(=O)n1C ZINC001304358017 1067397202 /nfs/dbraw/zinc/39/72/02/1067397202.db2.gz PLQWGMPDZPSQFL-REWPJTCUSA-N 0 0 492.624 3.231 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)c(F)c1 ZINC001304358509 1067397434 /nfs/dbraw/zinc/39/74/34/1067397434.db2.gz MCMKVIHJQOCCQW-LJQANCHMSA-N 0 0 450.562 3.453 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCc1ccccc1 ZINC001302809005 1067397591 /nfs/dbraw/zinc/39/75/91/1067397591.db2.gz YUHUAPLOOPWGHH-ZLNRFVROSA-N 0 0 490.670 3.284 20 0 JGADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001302809016 1067397636 /nfs/dbraw/zinc/39/76/36/1067397636.db2.gz YVXUSWBIGWAOGK-RCZVLFRGSA-N 0 0 488.721 3.452 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(F)c1 ZINC001304358637 1067397716 /nfs/dbraw/zinc/39/77/16/1067397716.db2.gz NWWDSJNOJJBWOL-GOSISDBHSA-N 0 0 476.478 3.265 20 0 JGADRN Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)cn1 ZINC001304359557 1067398421 /nfs/dbraw/zinc/39/84/21/1067398421.db2.gz XGSQWFMQCFTUDP-QGZVFWFLSA-N 0 0 457.522 3.101 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)cn1 ZINC001304359556 1067398433 /nfs/dbraw/zinc/39/84/33/1067398433.db2.gz XGSQWFMQCFTUDP-KRWDZBQOSA-N 0 0 457.522 3.101 20 0 JGADRN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)C1 ZINC001302810250 1067398779 /nfs/dbraw/zinc/39/87/79/1067398779.db2.gz NGUZBZOWQYNXHU-LJQANCHMSA-N 0 0 451.589 3.413 20 0 JGADRN Cc1ccc(Cn2c(CC(C)C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c(OCC(F)(F)F)c1 ZINC001304360083 1067398684 /nfs/dbraw/zinc/39/86/84/1067398684.db2.gz LFPONPXAWYHMJQ-QGZVFWFLSA-N 0 0 474.549 3.398 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccsc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(=O)n1C ZINC001304359936 1067398744 /nfs/dbraw/zinc/39/87/44/1067398744.db2.gz QVCQPJJVJUBJHA-IBGZPJMESA-N 0 0 484.626 3.089 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCCc2ccccc2)s1 ZINC001304360230 1067398968 /nfs/dbraw/zinc/39/89/68/1067398968.db2.gz ZEPQAYVTUWZGFV-OAQYLSRUSA-N 0 0 489.667 3.098 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2Cc2ccc(C)cc2C)cs1 ZINC001304360674 1067399316 /nfs/dbraw/zinc/39/93/16/1067399316.db2.gz TXXKEISBDBRLIZ-LJQANCHMSA-N 0 0 488.683 3.065 20 0 JGADRN Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001304360578 1067399352 /nfs/dbraw/zinc/39/93/52/1067399352.db2.gz PIQHUEVJCGOELO-XEYPJELSSA-N 0 0 462.612 3.221 20 0 JGADRN CSCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001302812302 1067399550 /nfs/dbraw/zinc/39/95/50/1067399550.db2.gz CCGJNIAPJOPFBQ-UHFFFAOYSA-N 0 0 476.054 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Cc1cccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[C@@H]2CCOC2)c1 ZINC001304510300 1067584679 /nfs/dbraw/zinc/58/46/79/1067584679.db2.gz LPLPUJNKVXDVSR-RTWAWAEBSA-N 0 0 455.603 3.333 20 0 JGADRN CC(C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001303039881 1067584912 /nfs/dbraw/zinc/58/49/12/1067584912.db2.gz RSNOYKQDZHUZAN-IFMALSPDSA-N 0 0 462.683 3.280 20 0 JGADRN NC(=O)C[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001303039682 1067584965 /nfs/dbraw/zinc/58/49/65/1067584965.db2.gz VSGVMSHHMXEIHN-KRWDZBQOSA-N 0 0 484.592 3.297 20 0 JGADRN NC(=O)CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCCC2)CC1 ZINC001303040154 1067585282 /nfs/dbraw/zinc/58/52/82/1067585282.db2.gz XCFUOVBRGUMTKA-UHFFFAOYSA-N 0 0 471.005 3.454 20 0 JGADRN NC(=O)C[C@H]1CCCN(c2nnc(CC3CCCC3)n2Cc2cccc(Br)n2)C1 ZINC001303040556 1067585597 /nfs/dbraw/zinc/58/55/97/1067585597.db2.gz ZHMYNAVJYOTDQD-MRXNPFEDSA-N 0 0 461.408 3.308 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001304510786 1067585951 /nfs/dbraw/zinc/58/59/51/1067585951.db2.gz BSXAFFZHZHZKJG-XIFFEERXSA-N 0 0 475.659 3.017 20 0 JGADRN CC(C)CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 ZINC001303041588 1067586293 /nfs/dbraw/zinc/58/62/93/1067586293.db2.gz RWMGGUCNGAOKIQ-VWLOTQADSA-N 0 0 472.634 3.081 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCC2)CC1 ZINC001303042970 1067586652 /nfs/dbraw/zinc/58/66/52/1067586652.db2.gz CZNXUQHBJQCMOA-UHFFFAOYSA-N 0 0 462.392 3.105 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN4CCCC[C@@H]4C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001304511374 1067586812 /nfs/dbraw/zinc/58/68/12/1067586812.db2.gz AMXSDCNVAQZOBA-CGKQSPDFSA-N 0 0 459.660 3.387 20 0 JGADRN NC(=O)CC1CCN(c2nnc(CCc3ccccc3)n2CC(F)(F)Br)CC1 ZINC001303043565 1067586894 /nfs/dbraw/zinc/58/68/94/1067586894.db2.gz KRCYBMIJFTVWNQ-UHFFFAOYSA-N 0 0 456.335 3.143 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCCC2=O)CC1 ZINC001303043536 1067586912 /nfs/dbraw/zinc/58/69/12/1067586912.db2.gz JTOOGIVERSEVOZ-UHFFFAOYSA-N 0 0 473.021 3.483 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001303043602 1067587237 /nfs/dbraw/zinc/58/72/37/1067587237.db2.gz MCAOVXLBIMNIGB-DLBZAZTESA-N 0 0 482.412 3.274 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@H]2CC(F)(F)CO2)c1 ZINC001304511565 1067587532 /nfs/dbraw/zinc/58/75/32/1067587532.db2.gz FMKMXTSHPKXRBM-QUCCMNQESA-N 0 0 477.556 3.283 20 0 JGADRN NC(=O)CC1CCN(c2nnc(Cc3ccncc3)n2CCOc2cccc(Cl)c2)CC1 ZINC001303043969 1067587525 /nfs/dbraw/zinc/58/75/25/1067587525.db2.gz GJPFRXWVKDZMGV-UHFFFAOYSA-N 0 0 454.962 3.088 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(-c3cccc(Br)c3)n2CCC2(O)CCC2)CC1 ZINC001303044128 1067587703 /nfs/dbraw/zinc/58/77/03/1067587703.db2.gz YZTGHNQPZVGYRF-UHFFFAOYSA-N 0 0 476.419 3.495 20 0 JGADRN NC(=O)CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001303044417 1067587717 /nfs/dbraw/zinc/58/77/17/1067587717.db2.gz RRXGAGZJXNNVMI-GOSISDBHSA-N 0 0 496.534 3.190 20 0 JGADRN NC(=O)CC1CCN(c2nnc(-c3ccccc3Br)n2CCc2ccncc2)CC1 ZINC001303044187 1067587725 /nfs/dbraw/zinc/58/77/25/1067587725.db2.gz JPKWCIDATUZYLH-UHFFFAOYSA-N 0 0 469.387 3.437 20 0 JGADRN NC(=O)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)NC2CCCCC2)CC1 ZINC001303044275 1067587821 /nfs/dbraw/zinc/58/78/21/1067587821.db2.gz MYDBFOZLXHMDGU-UHFFFAOYSA-N 0 0 488.583 3.078 20 0 JGADRN CC(C)CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccsc1 ZINC001303044767 1067588086 /nfs/dbraw/zinc/58/80/86/1067588086.db2.gz FVHRYHWTZXOQFW-JOCHJYFZSA-N 0 0 452.588 3.372 20 0 JGADRN NC(=O)CC1CCN(c2nnc(Cc3cccnc3)n2CCc2ccccc2OC(F)F)CC1 ZINC001303044606 1067588143 /nfs/dbraw/zinc/58/81/43/1067588143.db2.gz YWRWKDODTXZQEP-UHFFFAOYSA-N 0 0 470.524 3.200 20 0 JGADRN NC(=O)CCC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001303044882 1067588182 /nfs/dbraw/zinc/58/81/82/1067588182.db2.gz BPZRCUSYFUHXRB-QGZVFWFLSA-N 0 0 481.519 3.443 20 0 JGADRN NC(=O)CNC(=O)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCCCCCC2)cc1 ZINC001303045158 1067588370 /nfs/dbraw/zinc/58/83/70/1067588370.db2.gz HOMFCEYCYWVXBO-UHFFFAOYSA-N 0 0 481.988 3.027 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001304512208 1067588513 /nfs/dbraw/zinc/58/85/13/1067588513.db2.gz NMGWOPKPDFBHDZ-SANMLTNESA-N 0 0 479.629 3.469 20 0 JGADRN NC(=O)COC1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2Br)CC1 ZINC001303045425 1067588631 /nfs/dbraw/zinc/58/86/31/1067588631.db2.gz AJQQVYUELAYGJN-UHFFFAOYSA-N 0 0 476.419 3.292 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCc2nccnc2C)c1 ZINC001304512508 1067589287 /nfs/dbraw/zinc/58/92/87/1067589287.db2.gz QKOKMCKOCXBPQZ-UHFFFAOYSA-N 0 0 475.519 3.191 20 0 JGADRN CC(C)CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001303046914 1067589457 /nfs/dbraw/zinc/58/94/57/1067589457.db2.gz IJOLVQUFEFFFAL-DEOSSOPVSA-N 0 0 462.639 3.353 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC(=O)NC2CCCCC2)c1 ZINC001304512705 1067589582 /nfs/dbraw/zinc/58/95/82/1067589582.db2.gz UAVBDAQGCIZXGO-UHFFFAOYSA-N 0 0 494.562 3.299 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001304512853 1067589649 /nfs/dbraw/zinc/58/96/49/1067589649.db2.gz VMIDVNBCTPSTHH-AREMUKBSSA-N 0 0 469.630 3.411 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2)CC1 ZINC001303047672 1067589733 /nfs/dbraw/zinc/58/97/33/1067589733.db2.gz YPDPQVAIVTZDMJ-KRWDZBQOSA-N 0 0 476.672 3.037 20 0 JGADRN NC(=O)COC1CCN(c2nnc(C3CCC3)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001303048349 1067589999 /nfs/dbraw/zinc/58/99/99/1067589999.db2.gz YFVIWDWIHFALEF-UHFFFAOYSA-N 0 0 451.493 3.278 20 0 JGADRN CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 ZINC001303048288 1067590030 /nfs/dbraw/zinc/59/00/30/1067590030.db2.gz VHFITEYGABRSFH-OALUTQOASA-N 0 0 451.612 3.290 20 0 JGADRN CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 ZINC001303048587 1067590039 /nfs/dbraw/zinc/59/00/39/1067590039.db2.gz ZOTOJBMYMYSWPY-FQEVSTJZSA-N 0 0 492.665 3.124 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2CCCN(C)CC(F)(F)F)c1 ZINC001304513122 1067590806 /nfs/dbraw/zinc/59/08/06/1067590806.db2.gz PIWOLVNNDCAHJE-UHFFFAOYSA-N 0 0 497.562 3.436 20 0 JGADRN CC(C)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 ZINC001303049769 1067590871 /nfs/dbraw/zinc/59/08/71/1067590871.db2.gz LUXHESOPWJTEAY-MJGOQNOKSA-N 0 0 469.677 3.034 20 0 JGADRN NC(=O)COC1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(Cl)s2)CC1 ZINC001303051184 1067591084 /nfs/dbraw/zinc/59/10/84/1067591084.db2.gz BMIXQBHZKRLKJX-UHFFFAOYSA-N 0 0 479.965 3.230 20 0 JGADRN Cc1cccc(OCCn2c(-c3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC001304514191 1067591323 /nfs/dbraw/zinc/59/13/23/1067591323.db2.gz BCIORQFBSIBUMD-FQEVSTJZSA-N 0 0 455.584 3.131 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001304514351 1067591663 /nfs/dbraw/zinc/59/16/63/1067591663.db2.gz JMMVRGFTUATUQN-SIKLNZKXSA-N 0 0 476.643 3.242 20 0 JGADRN Cc1cccc(OCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC001304514957 1067591749 /nfs/dbraw/zinc/59/17/49/1067591749.db2.gz IRRAKDYYNXZULC-INIZCTEOSA-N 0 0 494.415 3.046 20 0 JGADRN Cc1cccc(OCCn2c([C@H]3CCCO3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)c1 ZINC001304515472 1067591974 /nfs/dbraw/zinc/59/19/74/1067591974.db2.gz AYIPENMHOYINAC-LJQANCHMSA-N 0 0 481.519 3.412 20 0 JGADRN NC(=O)[C@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2cccnc2)C1 ZINC001303052045 1067592155 /nfs/dbraw/zinc/59/21/55/1067592155.db2.gz ZTVQQHPBAZMZGN-HNNXBMFYSA-N 0 0 473.350 3.186 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCSC[C@@H]3C)n2CC[C@@H](C(F)F)N2CCOCC2)c1 ZINC001304515573 1067592259 /nfs/dbraw/zinc/59/22/59/1067592259.db2.gz QNSMJEMJTRDRBW-ICSRJNTNSA-N 0 0 481.613 3.463 20 0 JGADRN Cc1csc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCOc3cccc(C)c3)CCO2)n1 ZINC001304515683 1067592336 /nfs/dbraw/zinc/59/23/36/1067592336.db2.gz QDTKSVIDIAIFJL-LJQANCHMSA-N 0 0 470.599 3.147 20 0 JGADRN O=C(c1ccc(O)cc1)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC(F)(F)F)CC1 ZINC001303052618 1067592357 /nfs/dbraw/zinc/59/23/57/1067592357.db2.gz HVBXXFXVPYVKHQ-SFHVURJKSA-N 0 0 483.491 3.114 20 0 JGADRN O=C(c1c(F)cccc1Cl)N1CCN(c2nnc([C@H]3CCCOC3)n2CCCCCCO)CC1 ZINC001303052564 1067592424 /nfs/dbraw/zinc/59/24/24/1067592424.db2.gz FILVYXAOVMPJCD-SFHVURJKSA-N 0 0 494.011 3.480 20 0 JGADRN NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001303052810 1067592700 /nfs/dbraw/zinc/59/27/00/1067592700.db2.gz KRHZRRLSMPZAHG-DLBZAZTESA-N 0 0 467.492 3.015 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCSC[C@H]3C)n2CC2(S(C)(=O)=O)CCC2)c1 ZINC001304516666 1067592826 /nfs/dbraw/zinc/59/28/26/1067592826.db2.gz ZXROQWCTYQFERH-QGZVFWFLSA-N 0 0 450.630 3.075 20 0 JGADRN O=C(c1ccc(O)cc1)N1CCN(c2nnc(C3CCC3)n2CCOCC(F)(F)C(F)F)CC1 ZINC001303052998 1067593082 /nfs/dbraw/zinc/59/30/82/1067593082.db2.gz OFVZRVMBTMYGJN-UHFFFAOYSA-N 0 0 485.482 3.131 20 0 JGADRN Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1)C2 ZINC001304517158 1067593194 /nfs/dbraw/zinc/59/31/94/1067593194.db2.gz 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20 0 JGADRN CCOC(=O)C[C@@H](NC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1Cl ZINC001303344760 1067872978 /nfs/dbraw/zinc/87/29/78/1067872978.db2.gz IFGCIKHUCQSGRT-WMLDXEAASA-N 0 0 451.928 3.076 20 0 JGADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CC[S@@](=O)C(C)(C)C ZINC001303346767 1067873571 /nfs/dbraw/zinc/87/35/71/1067873571.db2.gz AKCNKMWEBDPCTJ-UJQZNKFNSA-N 0 0 481.688 3.211 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001303347062 1067873958 /nfs/dbraw/zinc/87/39/58/1067873958.db2.gz LBJDYZCSIVWGCR-VWLOTQADSA-N 0 0 473.593 3.308 20 0 JGADRN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCN2CCOCC2)s1 ZINC001304778770 1067873969 /nfs/dbraw/zinc/87/39/69/1067873969.db2.gz PFYGZICNODNIFV-MRXNPFEDSA-N 0 0 492.049 3.243 20 0 JGADRN Cc1nnc(CCn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@@H](O)C2)s1 ZINC001304778771 1067874100 /nfs/dbraw/zinc/87/41/00/1067874100.db2.gz OBMQRIMGSXDCHJ-PWSUYJOCSA-N 0 0 469.434 3.379 20 0 JGADRN Cc1nnc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCc2cnccn2)s1 ZINC001304778847 1067874212 /nfs/dbraw/zinc/87/42/12/1067874212.db2.gz QXOQONOWUZUFQE-UYAOXDASSA-N 0 0 470.647 3.458 20 0 JGADRN Cc1nnc(CCn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC001304779594 1067874910 /nfs/dbraw/zinc/87/49/10/1067874910.db2.gz FCQWMMDHSZDMBQ-MRXNPFEDSA-N 0 0 497.650 3.267 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1cccc2cccnc21 ZINC001303348456 1067875654 /nfs/dbraw/zinc/87/56/54/1067875654.db2.gz AXXQBZQBJAJOAI-WMLDXEAASA-N 0 0 462.476 3.169 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1c(F)cccc1Cl ZINC001303348413 1067875714 /nfs/dbraw/zinc/87/57/14/1067875714.db2.gz ANMGXIFKIAPRQB-XHDPSFHLSA-N 0 0 463.863 3.413 20 0 JGADRN Cc1nnc(CCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CC(C)(C)C)s1 ZINC001304781081 1067875987 /nfs/dbraw/zinc/87/59/87/1067875987.db2.gz OUUXUKWFULNMKB-UHFFFAOYSA-N 0 0 455.636 3.337 20 0 JGADRN 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Cc1nnc(CCn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccsc3)CC2)s1 ZINC001304781095 1067876445 /nfs/dbraw/zinc/87/64/45/1067876445.db2.gz PJJBZWUAKKVGHN-UHFFFAOYSA-N 0 0 459.645 3.340 20 0 JGADRN Cc1nnc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)s1 ZINC001304781385 1067876487 /nfs/dbraw/zinc/87/64/87/1067876487.db2.gz VESAREMUSXBYJN-CABCVRRESA-N 0 0 460.526 3.470 20 0 JGADRN Cc1nnc(CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001304781317 1067876573 /nfs/dbraw/zinc/87/65/73/1067876573.db2.gz TZGFBWKEOSWUEZ-IAGOWNOFSA-N 0 0 477.635 3.020 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CCc1ccccc1Cl ZINC001303349895 1067876714 /nfs/dbraw/zinc/87/67/14/1067876714.db2.gz NRXDOWSKZSLKFL-CJNGLKHVSA-N 0 0 459.900 3.468 20 0 JGADRN Cc1nnc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(F)(F)CC2)s1 ZINC001304781714 1067876769 /nfs/dbraw/zinc/87/67/69/1067876769.db2.gz ZGCQKLGQYAJHKU-HNNXBMFYSA-N 0 0 499.588 3.225 20 0 JGADRN Cc1nnc(CCn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC001304781688 1067877014 /nfs/dbraw/zinc/87/70/14/1067877014.db2.gz YUCFLYTWSBKWOJ-UKSYNHFBSA-N 0 0 460.629 3.119 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001303350187 1067877152 /nfs/dbraw/zinc/87/71/52/1067877152.db2.gz QETFSCQZGTTXAE-MOPGFXCFSA-N 0 0 458.607 3.240 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001303350190 1067877255 /nfs/dbraw/zinc/87/72/55/1067877255.db2.gz QETFSCQZGTTXAE-RTBURBONSA-N 0 0 458.607 3.240 20 0 JGADRN Cc1nnc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001304781802 1067877232 /nfs/dbraw/zinc/87/72/32/1067877232.db2.gz BKTXZOWSALCZQU-DLBZAZTESA-N 0 0 477.635 3.420 20 0 JGADRN Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC001304782037 1067877253 /nfs/dbraw/zinc/87/72/53/1067877253.db2.gz BGWAPXZIRSUDRC-SFHVURJKSA-N 0 0 452.383 3.353 20 0 JGADRN Cc1nnc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(Cl)=C(Cl)C2)s1 ZINC001304781890 1067877339 /nfs/dbraw/zinc/87/73/39/1067877339.db2.gz ARKIMOXXHNJVHB-UHFFFAOYSA-N 0 0 451.343 3.033 20 0 JGADRN Cc1nnc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)s1 ZINC001304782792 1067877988 /nfs/dbraw/zinc/87/79/88/1067877988.db2.gz JQENBUDLDBNZSL-UHFFFAOYSA-N 0 0 475.022 3.437 20 0 JGADRN Cc1nnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCN2CCOC(C)(C)C2)s1 ZINC001304782697 1067878163 /nfs/dbraw/zinc/87/81/63/1067878163.db2.gz IREYBEZLZKDSAT-UHFFFAOYSA-N 0 0 480.013 3.493 20 0 JGADRN Cc1nnc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)s1 ZINC001304782820 1067878230 /nfs/dbraw/zinc/87/82/30/1067878230.db2.gz IKZMLEUOJPHJHX-UHFFFAOYSA-N 0 0 475.003 3.163 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001303350974 1067878322 /nfs/dbraw/zinc/87/83/22/1067878322.db2.gz ZBSCKGQNIXCVQM-CTNGQTDRSA-N 0 0 482.629 3.031 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001303350989 1067878395 /nfs/dbraw/zinc/87/83/95/1067878395.db2.gz ZFMNFWAWTGKOEM-ATLLOTDBSA-N 0 0 473.593 3.306 20 0 JGADRN Cc1nnc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC001304783436 1067878640 /nfs/dbraw/zinc/87/86/40/1067878640.db2.gz PBNBXUDJNLJQOQ-QGZVFWFLSA-N 0 0 460.629 3.074 20 0 JGADRN Cc1nnc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)s1 ZINC001304783550 1067878853 /nfs/dbraw/zinc/87/88/53/1067878853.db2.gz QVQIBSLBFVHKKB-CQSZACIVSA-N 0 0 491.568 3.448 20 0 JGADRN CC(C)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@H]1CC(F)(F)CO1 ZINC001303352390 1067879041 /nfs/dbraw/zinc/87/90/41/1067879041.db2.gz HXNICTRHGCTYAP-CYBMUJFWSA-N 0 0 470.318 3.123 20 0 JGADRN O=C(NCC(F)(F)c1ccc(F)cc1F)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 ZINC001303351734 1067879200 /nfs/dbraw/zinc/87/92/00/1067879200.db2.gz CAIMHFVVZAKKQS-UHFFFAOYSA-N 0 0 453.417 3.104 20 0 JGADRN Cc1nnc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](COC(C)C)C2)s1 ZINC001304784549 1067879608 /nfs/dbraw/zinc/87/96/08/1067879608.db2.gz ASHKUUOZVZJBPR-SFHVURJKSA-N 0 0 463.007 3.361 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1CCc1ccccc1Cl ZINC001303352445 1067879657 /nfs/dbraw/zinc/87/96/57/1067879657.db2.gz IRESFYKISVSFSI-QQMNAOGKSA-N 0 0 461.994 3.085 20 0 JGADRN CC(C)NC(=O)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CC(F)(F)Br ZINC001303352890 1067880153 /nfs/dbraw/zinc/88/01/53/1067880153.db2.gz LPMAHPFWOHGQHE-GFCCVEGCSA-N 0 0 458.307 3.192 20 0 JGADRN Cc1nnc(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC001304785277 1067880047 /nfs/dbraw/zinc/88/00/47/1067880047.db2.gz LQVBUNBKPGRLOX-HNNXBMFYSA-N 0 0 483.623 3.073 20 0 JGADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)s1 ZINC001304785285 1067880116 /nfs/dbraw/zinc/88/01/16/1067880116.db2.gz LZSNNWGTXYDRIX-OAHLLOKOSA-N 0 0 492.671 3.232 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@H]32)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001303353280 1067880386 /nfs/dbraw/zinc/88/03/86/1067880386.db2.gz CSYDPAZLQZQBIA-NHCUHLMSSA-N 0 0 473.643 3.168 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001303353282 1067880585 /nfs/dbraw/zinc/88/05/85/1067880585.db2.gz CSYDPAZLQZQBIA-SFTDATJTSA-N 0 0 473.643 3.168 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@H]2C)n1CCNC(=O)OC(C)(C)C ZINC001303353404 1067880602 /nfs/dbraw/zinc/88/06/02/1067880602.db2.gz OAPOGDGCVCGMIC-MJGOQNOKSA-N 0 0 456.591 3.323 20 0 JGADRN Cc1nnc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)s1 ZINC001304785474 1067880631 /nfs/dbraw/zinc/88/06/31/1067880631.db2.gz SGCRDBMPYOEHES-UHFFFAOYSA-N 0 0 490.033 3.460 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001303353687 1067880744 /nfs/dbraw/zinc/88/07/44/1067880744.db2.gz ASFNBTVTBDVTDV-NRFANRHFSA-N 0 0 466.630 3.459 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001303354107 1067881211 /nfs/dbraw/zinc/88/12/11/1067881211.db2.gz DZBKDUOPXMLIIC-HBMCJLEFSA-N 0 0 482.629 3.111 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccc2nsnc2c1 ZINC001303353872 1067881467 /nfs/dbraw/zinc/88/14/67/1067881467.db2.gz HNDAMQFHOHPHKB-UHFFFAOYSA-N 0 0 451.478 3.168 20 0 JGADRN Cc1nnc(Cn2c(N3CCC[C@H](OCC(F)(F)F)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001304787534 1067881480 /nfs/dbraw/zinc/88/14/80/1067881480.db2.gz LSAKMFZPQAETNI-KXBFYZLASA-N 0 0 490.552 3.075 20 0 JGADRN Cc1nnc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)CCN2CCOCC2)s1 ZINC001304787452 1067881496 /nfs/dbraw/zinc/88/14/96/1067881496.db2.gz LKPWVSXUQOLZLR-UHFFFAOYSA-N 0 0 480.063 3.200 20 0 JGADRN Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001304789096 1067882014 /nfs/dbraw/zinc/88/20/14/1067882014.db2.gz AOUBRPSCRABTMA-UHFFFAOYSA-N 0 0 454.619 3.168 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccc(Cn2cccn2)cc1 ZINC001303354523 1067882359 /nfs/dbraw/zinc/88/23/59/1067882359.db2.gz NGKHXQJARXWDJC-UHFFFAOYSA-N 0 0 473.503 3.408 20 0 JGADRN Cc1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1CCCn1cc(Br)cn1 ZINC001304790195 1067882458 /nfs/dbraw/zinc/88/24/58/1067882458.db2.gz INVGJHWBQRCZDX-MRXNPFEDSA-N 0 0 474.407 3.292 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@H](c1ccccc1)N1CCOCC1 ZINC001303355067 1067882738 /nfs/dbraw/zinc/88/27/38/1067882738.db2.gz KFTIWJHHIRLUIG-FCHUYYIVSA-N 0 0 468.646 3.362 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@@H]32)n1CCCS(=O)(=O)c1ccccc1 ZINC001303355430 1067883240 /nfs/dbraw/zinc/88/32/40/1067883240.db2.gz UPOYWBCPPTZNPV-CTNGQTDRSA-N 0 0 473.643 3.439 20 0 JGADRN Cc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001304793732 1067883343 /nfs/dbraw/zinc/88/33/43/1067883343.db2.gz AJGPYHVECSSBII-PMERELPUSA-N 0 0 460.913 3.414 20 0 JGADRN Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCNc1ncc(Cl)cc1Cl ZINC001304794400 1067883406 /nfs/dbraw/zinc/88/34/06/1067883406.db2.gz POMNBULXMHOUQB-UHFFFAOYSA-N 0 0 469.398 3.440 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CCc1cccc(F)c1 ZINC001303355617 1067883584 /nfs/dbraw/zinc/88/35/84/1067883584.db2.gz PTLOGALTLWEKQS-GOSISDBHSA-N 0 0 472.609 3.175 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1C[C@@H]1CCC[C@H]1C ZINC001303355594 1067883767 /nfs/dbraw/zinc/88/37/67/1067883767.db2.gz PGQNTWHFSXXLNV-AABGKKOBSA-N 0 0 452.603 3.342 20 0 JGADRN Cc1nnc(N(C)Cc2ccccc2C(F)(F)F)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001304795878 1067883823 /nfs/dbraw/zinc/88/38/23/1067883823.db2.gz MDPZAPFKIQUJPI-FQEVSTJZSA-N 0 0 455.550 3.450 20 0 JGADRN Cc1nnc(N(C)Cc2csc(Br)c2)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001304795772 1067883902 /nfs/dbraw/zinc/88/39/02/1067883902.db2.gz KLBATZFFWFEZFI-SFHVURJKSA-N 0 0 472.478 3.255 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@](C)(O)c1ccccc1 ZINC001303356007 1067884025 /nfs/dbraw/zinc/88/40/25/1067884025.db2.gz SKAYUKWHFYNMDI-VWLOTQADSA-N 0 0 481.622 3.485 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001303356062 1067884148 /nfs/dbraw/zinc/88/41/48/1067884148.db2.gz YCSKHYWUWAAIFZ-SRGWNRLKSA-N 0 0 490.674 3.186 20 0 JGADRN Cc1nnc(N(C)CCc2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001304796551 1067884246 /nfs/dbraw/zinc/88/42/46/1067884246.db2.gz CVJYEOXYDDTLJU-AZUAARDMSA-N 0 0 496.475 3.232 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CC[C@](C)(O)c1ccccc1 ZINC001303356275 1067884368 /nfs/dbraw/zinc/88/43/68/1067884368.db2.gz YDPVSJJBQMRNMN-DCFHFQCYSA-N 0 0 498.672 3.091 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001303356290 1067884832 /nfs/dbraw/zinc/88/48/32/1067884832.db2.gz YNSKMGMBFTWZLY-HXUWFJFHSA-N 0 0 466.630 3.449 20 0 JGADRN COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H](C3)N(C(=O)OC(C)(C)C)C4)C2)c1 ZINC001303357859 1067885328 /nfs/dbraw/zinc/88/53/28/1067885328.db2.gz IGGYKDXBVDKUEM-YJXLLHPSSA-N 0 0 459.543 3.101 20 0 JGADRN Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1 ZINC001303357371 1067885344 /nfs/dbraw/zinc/88/53/44/1067885344.db2.gz XFCUKVAOWFVUDJ-JQHSSLGASA-N 0 0 457.600 3.446 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccsc1 ZINC001303358177 1067885718 /nfs/dbraw/zinc/88/57/18/1067885718.db2.gz BGBWQYZYVXZBFB-WBVHZDCISA-N 0 0 462.620 3.266 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CCCOC(F)F ZINC001303358371 1067885759 /nfs/dbraw/zinc/88/57/59/1067885759.db2.gz DLMZCRRUWAMFPD-HNNXBMFYSA-N 0 0 488.580 3.175 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1CC(F)(F)F ZINC001303358891 1067886000 /nfs/dbraw/zinc/88/60/00/1067886000.db2.gz KJEXRCDMKKWPTR-CYBMUJFWSA-N 0 0 462.517 3.108 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCSC1 ZINC001303358802 1067886103 /nfs/dbraw/zinc/88/61/03/1067886103.db2.gz 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/nfs/dbraw/zinc/42/10/70/1068421070.db2.gz QRLFGDNSSFSTSX-KBPBESRZSA-N 0 0 462.041 3.199 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1CC[C@H]1CCCCO1 ZINC001303811710 1068421091 /nfs/dbraw/zinc/42/10/91/1068421091.db2.gz QRLFGDNSSFSTSX-ZIAGYGMSSA-N 0 0 462.041 3.199 20 0 JGADRN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Cl)cn1 ZINC001305257567 1068421893 /nfs/dbraw/zinc/42/18/93/1068421893.db2.gz UUVOBHNQMWMIRW-CABCVRRESA-N 0 0 481.047 3.229 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)cc1F ZINC001303812395 1068422507 /nfs/dbraw/zinc/42/25/07/1068422507.db2.gz YHKYOSKABAUJLV-VPWXQRGCSA-N 0 0 485.601 3.254 20 0 JGADRN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCOC1 ZINC001305258057 1068422502 /nfs/dbraw/zinc/42/25/02/1068422502.db2.gz SOEMZCSFMUWNRG-BIENJYKASA-N 0 0 453.406 3.189 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@@H]1CCOC[C@@H]1C ZINC001303812452 1068423038 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YFBIZOALQLECIZ-CABCVRRESA-N 0 0 451.543 3.320 20 0 JGADRN C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccsc1)N1CCc2ccccc21 ZINC001303813698 1068424324 /nfs/dbraw/zinc/42/43/24/1068424324.db2.gz FKPDFJLFMABBMU-IRXDYDNUSA-N 0 0 474.656 3.037 20 0 JGADRN C[C@H]1SCCN(c2nnc(CN3CCCC3=O)n2CC2CCN(CC(F)(F)F)CC2)[C@@H]1C ZINC001305258739 1068424304 /nfs/dbraw/zinc/42/43/04/1068424304.db2.gz NRUQTIVRPXHRSN-HZPDHXFCSA-N 0 0 474.597 3.005 20 0 JGADRN C[C@@H]1SCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2nccs2)[C@H]1C ZINC001305258600 1068424322 /nfs/dbraw/zinc/42/43/22/1068424322.db2.gz XBTWRXQJJHNGOK-HOTGVXAUSA-N 0 0 492.696 3.225 20 0 JGADRN C[C@@H]1[C@H](C)SCCN1c1nnc(C2(c3ccccc3)CCC2)n1CCCNS(C)(=O)=O ZINC001305258570 1068424367 /nfs/dbraw/zinc/42/43/67/1068424367.db2.gz WUJZRRRAPOUZNX-MSOLQXFVSA-N 0 0 463.673 3.018 20 0 JGADRN C[C@@H]1SCCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCNS(C)(=O)=O)[C@H]1C ZINC001305258573 1068424388 /nfs/dbraw/zinc/42/43/88/1068424388.db2.gz WUJZRRRAPOUZNX-ROUUACIJSA-N 0 0 463.673 3.018 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001303813961 1068424997 /nfs/dbraw/zinc/42/49/97/1068424997.db2.gz HNTHJQRLTCZWSW-CYBMUJFWSA-N 0 0 470.571 3.141 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1ccc(F)cc1 ZINC001303814006 1068425003 /nfs/dbraw/zinc/42/50/03/1068425003.db2.gz ICLBHCVVUILNBN-NSHDSACASA-N 0 0 492.524 3.187 20 0 JGADRN C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@@H]1C)N1CCOCC1 ZINC001305258953 1068425026 /nfs/dbraw/zinc/42/50/26/1068425026.db2.gz YDRCIBFBRHHSGC-JYJNAYRXSA-N 0 0 483.480 3.097 20 0 JGADRN C[C@@H]1[C@H](C)SCCN1c1nnc(CCOc2ccccc2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001305259077 1068425040 /nfs/dbraw/zinc/42/50/40/1068425040.db2.gz OTGCVNDOQXVRKY-HBFSDRIKSA-N 0 0 499.603 3.493 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccs2)n1Cc1cccc2cccnc21 ZINC001303813989 1068425009 /nfs/dbraw/zinc/42/50/09/1068425009.db2.gz HUPQSBASNHYDAQ-OAHLLOKOSA-N 0 0 456.597 3.183 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1CCN1c2ccccc2C[C@H]1C ZINC001303814262 1068425622 /nfs/dbraw/zinc/42/56/22/1068425622.db2.gz AVWPNASYWTXZKW-RTBURBONSA-N 0 0 474.675 3.356 20 0 JGADRN C[C@H]1SCCN(c2nnc(Cc3ccncc3)n2Cc2cccc(CS(C)(=O)=O)c2)[C@@H]1C ZINC001305259906 1068426263 /nfs/dbraw/zinc/42/62/63/1068426263.db2.gz WTIYJQORMLQGOU-QZTJIDSGSA-N 0 0 471.652 3.187 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccsc2)n1CCC1Cc2ccccc2C1 ZINC001303814610 1068426283 /nfs/dbraw/zinc/42/62/83/1068426283.db2.gz MMNKUAZNDHSCAA-INIZCTEOSA-N 0 0 459.641 3.391 20 0 JGADRN COC[C@@H](C)n1c(SCC(=O)NC[C@](C)(O)c2cccc(F)c2)nnc1-c1ccccc1 ZINC001303814761 1068426294 /nfs/dbraw/zinc/42/62/94/1068426294.db2.gz UGXILUDQBADYIR-MWTRTKDXSA-N 0 0 458.559 3.408 20 0 JGADRN C[C@@](O)(CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1cccc(F)c1 ZINC001303814836 1068426312 /nfs/dbraw/zinc/42/63/12/1068426312.db2.gz VYLNJZVIFGXREG-OAQYLSRUSA-N 0 0 454.951 3.291 20 0 JGADRN COC[C@H](C)n1c(SCC(=O)NC[C@](C)(O)c2cccc(F)c2)nnc1-c1ccccc1 ZINC001303814760 1068426383 /nfs/dbraw/zinc/42/63/83/1068426383.db2.gz UGXILUDQBADYIR-HJPURHCSSA-N 0 0 458.559 3.408 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccsc2)n1CCc1c[nH]c2ccc(F)cc12 ZINC001303815100 1068426973 /nfs/dbraw/zinc/42/69/73/1068426973.db2.gz ONURMANXURVJGW-AWEZNQCLSA-N 0 0 476.603 3.449 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1Cc1ccc(-n2ccnc2)c(F)c1 ZINC001303815106 1068427013 /nfs/dbraw/zinc/42/70/13/1068427013.db2.gz HCPVENZCTKBSPO-KRWDZBQOSA-N 0 0 489.621 3.278 20 0 JGADRN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001305260780 1068427435 /nfs/dbraw/zinc/42/74/35/1068427435.db2.gz BRCIDUWGCOEYAU-HXUWFJFHSA-N 0 0 468.602 3.307 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001303815526 1068427728 /nfs/dbraw/zinc/42/77/28/1068427728.db2.gz IZSAVAWJJGMICK-QOJCHSLYSA-N 0 0 465.595 3.151 20 0 JGADRN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@H]2OC)C1 ZINC001305260698 1068427941 /nfs/dbraw/zinc/42/79/41/1068427941.db2.gz COYLEHLGVFAEPE-SFGWALBWSA-N 0 0 471.602 3.272 20 0 JGADRN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@@H]2OC)C1 ZINC001305260696 1068427962 /nfs/dbraw/zinc/42/79/62/1068427962.db2.gz COYLEHLGVFAEPE-KPLVRAHFSA-N 0 0 471.602 3.272 20 0 JGADRN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCOC2)C1 ZINC001305261231 1068429187 /nfs/dbraw/zinc/42/91/87/1068429187.db2.gz GHQSFRDRRGEBDN-SJLPKXTDSA-N 0 0 463.529 3.468 20 0 JGADRN C[C@H]1SCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSCCCO)[C@@H]1C ZINC001305261216 1068429207 /nfs/dbraw/zinc/42/92/07/1068429207.db2.gz FWOAWTMLTDQDNE-TVFCKZIOSA-N 0 0 485.720 3.495 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1CCCn1ccc2ccccc21 ZINC001303816835 1068429545 /nfs/dbraw/zinc/42/95/45/1068429545.db2.gz OBWKVUXICWHAJD-LRYGQEGESA-N 0 0 462.595 3.118 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2nccs2)n1Cc1ccccc1C(F)(F)F ZINC001303817023 1068429564 /nfs/dbraw/zinc/42/95/64/1068429564.db2.gz XMNSHXUIKLPTCA-GFCCVEGCSA-N 0 0 474.534 3.048 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H]1CCCC1(C)C ZINC001303817095 1068429968 /nfs/dbraw/zinc/42/99/68/1068429968.db2.gz YYPGZRLYBYTPFD-UKRRQHHQSA-N 0 0 491.584 3.103 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1Cc1c(F)cccc1N1CCCC1 ZINC001303817651 1068430722 /nfs/dbraw/zinc/43/07/22/1068430722.db2.gz RQSZCGQTKKIEML-MOPGFXCFSA-N 0 0 490.649 3.468 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1Cc1c(F)cccc1OC(F)F ZINC001303817872 1068431381 /nfs/dbraw/zinc/43/13/81/1068431381.db2.gz UULBEEHKUXVNCW-CYBMUJFWSA-N 0 0 475.537 3.304 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001303818157 1068431464 /nfs/dbraw/zinc/43/14/64/1068431464.db2.gz XYYSCYDPEPIBRB-BBRMVZONSA-N 0 0 493.527 3.100 20 0 JGADRN 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CC[C@@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001305376044 1068629343 /nfs/dbraw/zinc/62/93/43/1068629343.db2.gz RWOCWEGQIAPLJU-GDBMZVCRSA-N 0 0 468.023 3.406 20 0 JGADRN CC[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC001305375654 1068629367 /nfs/dbraw/zinc/62/93/67/1068629367.db2.gz QIYPOFRTPGKJAP-LNLFQRSKSA-N 0 0 464.632 3.311 20 0 JGADRN CC[C@H](C)c1nnc(N(C)CC(=O)NC(C)C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001305376755 1068630507 /nfs/dbraw/zinc/63/05/07/1068630507.db2.gz OJFBTAXNXZBWNH-ZWKOTPCHSA-N 0 0 450.628 3.400 20 0 JGADRN CC[C@@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001305376898 1068630525 /nfs/dbraw/zinc/63/05/25/1068630525.db2.gz WBMOMJQLSQXJTF-UKRRQHHQSA-N 0 0 460.522 3.491 20 0 JGADRN CC[C@@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1cc(F)ccc1N1CCOCC1 ZINC001305377963 1068631141 /nfs/dbraw/zinc/63/11/41/1068631141.db2.gz ZZTPLJXLQDEFIM-QGZVFWFLSA-N 0 0 460.598 3.167 20 0 JGADRN CC[C@@H](C)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001305378943 1068631684 /nfs/dbraw/zinc/63/16/84/1068631684.db2.gz VRQNUSVPGRNDEJ-MRXNPFEDSA-N 0 0 474.631 3.261 20 0 JGADRN CC[C@@H](C)c1nnc(N(C)Cc2ccc(Br)s2)n1Cc1cn(C2COC2)nn1 ZINC001305383062 1068633725 /nfs/dbraw/zinc/63/37/25/1068633725.db2.gz YCIWWFXOJQGCDQ-GFCCVEGCSA-N 0 0 466.409 3.463 20 0 JGADRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001305384420 1068633733 /nfs/dbraw/zinc/63/37/33/1068633733.db2.gz TZWDIJQIXDSNSY-VQTJNVASSA-N 0 0 474.675 3.310 20 0 JGADRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001305384414 1068633804 /nfs/dbraw/zinc/63/38/04/1068633804.db2.gz TZWDIJQIXDSNSY-PMACEKPBSA-N 0 0 474.675 3.310 20 0 JGADRN CC[C@@H](C)c1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001305388416 1068634983 /nfs/dbraw/zinc/63/49/83/1068634983.db2.gz JQQWASVGWZZMGP-DENIHFKCSA-N 0 0 485.658 3.097 20 0 JGADRN CC[NH+](CC)CCOc1cccc(NC(=O)c2cnc(I)c([O-])c2)c1 ZINC001305388963 1068635031 /nfs/dbraw/zinc/63/50/31/1068635031.db2.gz XHOQUCOTECHYJM-UHFFFAOYSA-N 0 0 455.296 3.365 20 0 JGADRN CC[C@@H](C)c1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@]1(O)CCSC1 ZINC001305390152 1068635637 /nfs/dbraw/zinc/63/56/37/1068635637.db2.gz ALPGAHWHLIQTHB-HOYKHHGWSA-N 0 0 473.643 3.364 20 0 JGADRN CC[C@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001305391044 1068636136 /nfs/dbraw/zinc/63/61/36/1068636136.db2.gz PIIFSOTUHMKTIL-HNNXBMFYSA-N 0 0 465.023 3.408 20 0 JGADRN CC[C@H](C)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CC(=O)NCCc1ccccc1 ZINC001305391860 1068636896 /nfs/dbraw/zinc/63/68/96/1068636896.db2.gz UWWNOYLUCZQAJH-INIZCTEOSA-N 0 0 479.610 3.497 20 0 JGADRN CC[C@H](C)c1nnc(N(C)C[C@@H]2CN(CC)c3ccccc3O2)n1CC1CCS(=O)(=O)CC1 ZINC001305391924 1068637330 /nfs/dbraw/zinc/63/73/30/1068637330.db2.gz LMLNDAIDDYTNKG-AZUAARDMSA-N 0 0 475.659 3.340 20 0 JGADRN CC[C@H](C)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCS(=O)(=O)c1ccccc1 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482.673 3.476 20 0 JGADRN CC[C@H](C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCC(=O)NC(C)(C)C ZINC001305414489 1068652566 /nfs/dbraw/zinc/65/25/66/1068652566.db2.gz RAJSMGGHOFSOED-ULQDDVLXSA-N 0 0 450.628 3.446 20 0 JGADRN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)(C)C ZINC001305414486 1068652583 /nfs/dbraw/zinc/65/25/83/1068652583.db2.gz RAJSMGGHOFSOED-GVDBMIGSSA-N 0 0 450.628 3.446 20 0 JGADRN CC[C@H](C)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001305415592 1068653848 /nfs/dbraw/zinc/65/38/48/1068653848.db2.gz KAGSVKKAVAGUDO-VJANTYMQSA-N 0 0 460.623 3.154 20 0 JGADRN CC[C@@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001305416298 1068653888 /nfs/dbraw/zinc/65/38/88/1068653888.db2.gz AFRUHXIRTZUGCB-QGZVFWFLSA-N 0 0 455.694 3.353 20 0 JGADRN CC[C@H](C)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1cccc(N2CCOCC2)n1 ZINC001305415218 1068653933 /nfs/dbraw/zinc/65/39/33/1068653933.db2.gz AVOHGLSYJSJMLX-XYJFISCASA-N 0 0 468.524 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CCC(CC)NC(=O)c1nnc(N2CCN(Cc3cscn3)CC2)n1C[C@@H]1CCC[C@H]1C ZINC001305787068 1069292551 /nfs/dbraw/zinc/29/25/51/1069292551.db2.gz DUPUTBATFVFVIK-MSOLQXFVSA-N 0 0 459.664 3.411 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3cscn3)CC2)n1C[C@H]1CCC[C@@H]1C ZINC001305787071 1069292592 /nfs/dbraw/zinc/29/25/92/1069292592.db2.gz DUPUTBATFVFVIK-ZWKOTPCHSA-N 0 0 459.664 3.411 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3cc(C)on3)CC2)n1CC1(SC)CCC1 ZINC001305787080 1069293171 /nfs/dbraw/zinc/29/31/71/1069293171.db2.gz DYOSGOXPAYTLPJ-UHFFFAOYSA-N 0 0 475.663 3.101 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001305787494 1069294474 /nfs/dbraw/zinc/29/44/74/1069294474.db2.gz BCXTZKNTEVFJSZ-NRFANRHFSA-N 0 0 497.644 3.066 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3OC)CC2)n1C[C@H]1C[C@H]1C ZINC001305787937 1069295740 /nfs/dbraw/zinc/29/57/40/1069295740.db2.gz QILNSMLAWRJGOC-UYAOXDASSA-N 0 0 454.619 3.183 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CCc1ccc(F)cc1C ZINC001305788642 1069297373 /nfs/dbraw/zinc/29/73/73/1069297373.db2.gz XVYIDUTUHACTBD-HSZRJFAPSA-N 0 0 486.636 3.188 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ncn(-c2ccccc2)n1 ZINC001305788755 1069298125 /nfs/dbraw/zinc/29/81/25/1069298125.db2.gz BQKGSUMVIAUVKT-FQEVSTJZSA-N 0 0 480.617 3.077 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(CC)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001305789170 1069299251 /nfs/dbraw/zinc/29/92/51/1069299251.db2.gz BKXVIXNLHDTZPH-ZEQRLZLVSA-N 0 0 461.582 3.249 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1Cc1ccc(OC)nc1 ZINC001305789241 1069299269 /nfs/dbraw/zinc/29/92/69/1069299269.db2.gz CRHUYLGGCPWOES-NRFANRHFSA-N 0 0 482.560 3.365 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305789660 1069300090 /nfs/dbraw/zinc/30/00/90/1069300090.db2.gz FOVGEMWRDZAZMM-UHFFFAOYSA-N 0 0 466.627 3.115 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@](C)(O)c1cccs1 ZINC001305789636 1069300376 /nfs/dbraw/zinc/30/03/76/1069300376.db2.gz FNIROPCRDIOFSZ-HXOBKFHXSA-N 0 0 463.648 3.417 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001305790115 1069300907 /nfs/dbraw/zinc/30/09/07/1069300907.db2.gz HQPKDBQFSDSBCQ-VQTJNVASSA-N 0 0 492.665 3.457 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1Cc1nccs1 ZINC001305790666 1069301772 /nfs/dbraw/zinc/30/17/72/1069301772.db2.gz KHKVIESKRBINMV-SFHVURJKSA-N 0 0 458.563 3.418 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n1Cc1ccccc1Cl ZINC001305790758 1069301872 /nfs/dbraw/zinc/30/18/72/1069301872.db2.gz GHBCJQPYKJANGD-HXUWFJFHSA-N 0 0 486.020 3.309 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001305791728 1069304335 /nfs/dbraw/zinc/30/43/35/1069304335.db2.gz PDKWAPMRLICDNU-AWEZNQCLSA-N 0 0 454.497 3.078 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](Cn3cc(C)cn3)C2)n1CC1(C)CCCC1 ZINC001305791873 1069304366 /nfs/dbraw/zinc/30/43/66/1069304366.db2.gz MYQGXSNOQLXOEW-FQEVSTJZSA-N 0 0 457.623 3.187 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC(C)(C)c1ccc(OC)cc1 ZINC001305792038 1069304665 /nfs/dbraw/zinc/30/46/65/1069304665.db2.gz NKFRDKHEYNQPRN-AREMUKBSSA-N 0 0 485.629 3.179 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@H]1CCOC[C@@H]1OC ZINC001305792200 1069305563 /nfs/dbraw/zinc/30/55/63/1069305563.db2.gz PCLKZYUBZASUHA-FPOVZHCZSA-N 0 0 477.650 3.178 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1Cc1ccc(OC)cc1 ZINC001305792838 1069306542 /nfs/dbraw/zinc/30/65/42/1069306542.db2.gz CCOKEVMMMJLYOJ-HXUWFJFHSA-N 0 0 497.600 3.338 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CC)C2)n1Cc1ccccc1Cn1cccn1 ZINC001305792872 1069307408 /nfs/dbraw/zinc/30/74/08/1069307408.db2.gz CTEOBXLEXIRXPI-QFIPXVFZSA-N 0 0 465.602 3.105 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC(C)(C)O ZINC001305792882 1069307642 /nfs/dbraw/zinc/30/76/42/1069307642.db2.gz CTPZKEFQPPXYHO-SFHVURJKSA-N 0 0 481.544 3.147 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1noc2c1CCCC2 ZINC001305793308 1069308964 /nfs/dbraw/zinc/30/89/64/1069308964.db2.gz YGKJXVQSLSARDS-FQEVSTJZSA-N 0 0 458.607 3.363 20 0 JGADRN CCc1nnsc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009516706 555308798 /nfs/dbraw/zinc/30/87/98/555308798.db2.gz YDFLIAHYSOJEEP-UHFFFAOYSA-N 0 0 460.537 3.315 20 0 JGADRN O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000008692299 562954281 /nfs/dbraw/zinc/95/42/81/562954281.db2.gz AOWWPPRQDWLDJO-UHFFFAOYSA-N 0 0 469.906 3.376 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCNC(=O)C(C)(C)C ZINC001305793669 1069309797 /nfs/dbraw/zinc/30/97/97/1069309797.db2.gz ZAEGGZJOVFDAQG-DEOSSOPVSA-N 0 0 464.655 3.000 20 0 JGADRN CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCC3(C[C@@H]3CCO)CC2)C1=O ZINC001164393786 718811187 /nfs/dbraw/zinc/81/11/87/718811187.db2.gz WNZMQIDLYDEKMH-NYHFZMIOSA-N 0 0 451.974 3.006 20 0 JGADRN 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494.637 3.490 20 0 JGADRN CN(CCn1c(C2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1)C(=O)OC(C)(C)C ZINC001298708745 1064514676 /nfs/dbraw/zinc/51/46/76/1064514676.db2.gz NZMICKZDXKZQLT-UHFFFAOYSA-N 0 0 458.611 3.311 20 0 JGADRN C[C@@H](CN(C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H](C)CO)c1ccccc1 ZINC001298708421 1064514707 /nfs/dbraw/zinc/51/47/07/1064514707.db2.gz CTTJTRNGRONYPR-OALUTQOASA-N 0 0 456.564 3.385 20 0 JGADRN CN(CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1)C(=O)OC(C)(C)C ZINC001298708799 1064515253 /nfs/dbraw/zinc/51/52/53/1064515253.db2.gz PKZSKESKDANFDO-UHFFFAOYSA-N 0 0 483.617 3.160 20 0 JGADRN COC(=O)[C@H](CF)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001298709949 1064515477 /nfs/dbraw/zinc/51/54/77/1064515477.db2.gz RPVSVEJOGZQIEA-SFHVURJKSA-N 0 0 450.532 3.334 20 0 JGADRN COC(=O)[C@@H](CF)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001298709945 1064515522 /nfs/dbraw/zinc/51/55/22/1064515522.db2.gz RPVSVEJOGZQIEA-GOSISDBHSA-N 0 0 450.532 3.334 20 0 JGADRN 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COc1cc(-c2nnc(N3CCC[C@@H](OC)C3)n2CCOc2ncccc2F)cc(OC)c1OC ZINC001299850641 1065054851 /nfs/dbraw/zinc/05/48/51/1065054851.db2.gz IXHULQNTJCHTMU-QGZVFWFLSA-N 0 0 487.532 3.199 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H]2CCCO2)cc(OC)c1OC ZINC001299850755 1065055388 /nfs/dbraw/zinc/05/53/88/1065055388.db2.gz NQGJSRWIDMZYNT-MOPGFXCFSA-N 0 0 460.575 3.401 20 0 JGADRN COc1cc(-c2nnc(N3CCC(CO)CC3)n2CC2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC001299851117 1065055779 /nfs/dbraw/zinc/05/57/79/1065055779.db2.gz SUYUSESUGDCOJU-IAGOWNOFSA-N 0 0 474.602 3.383 20 0 JGADRN COc1cc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC(=O)N(C)C)cc(OC)c1OC ZINC001299851122 1065055836 /nfs/dbraw/zinc/05/58/36/1065055836.db2.gz SVPILNGUCQKZGZ-UHFFFAOYSA-N 0 0 484.384 3.349 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC(C)(F)F)cc(OC)c1OC ZINC001299851397 1065056756 /nfs/dbraw/zinc/05/67/56/1065056756.db2.gz QSPAGGHCJDHAJZ-CQSZACIVSA-N 0 0 467.517 3.108 20 0 JGADRN COc1cc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC(C)(C)OC)ccc1OC(C)C ZINC001299851495 1065056782 /nfs/dbraw/zinc/05/67/82/1065056782.db2.gz YHUQDMDMUWPJRI-UHFFFAOYSA-N 0 0 480.631 3.179 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@]2(C)CCCS2)cc(OC)c1OC ZINC001299851702 1065057064 /nfs/dbraw/zinc/05/70/64/1065057064.db2.gz WLMUFLRZHOPAAW-VOIUYBSRSA-N 0 0 489.642 3.348 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC2CC2)cc(OC)c1OC ZINC001299851850 1065057588 /nfs/dbraw/zinc/05/75/88/1065057588.db2.gz ZMKLONWVNITAHV-GOSISDBHSA-N 0 0 471.602 3.370 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2C[C@@H]2CCCSC2)cc(OC)c1OC ZINC001299851862 1065057614 /nfs/dbraw/zinc/05/76/14/1065057614.db2.gz ZQJMTDAIGNKAFI-HKUYNNGSSA-N 0 0 489.642 3.219 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC(=O)NC(C)C)cc(OC)c1OC ZINC001299852436 1065058443 /nfs/dbraw/zinc/05/84/43/1065058443.db2.gz FZRUPGBGUXYQDY-OAHLLOKOSA-N 0 0 481.544 3.367 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCOC(C)C)ccc1OC(C)C ZINC001299852488 1065058909 /nfs/dbraw/zinc/05/89/09/1065058909.db2.gz GNTJGTTYGMBQPH-VWLOTQADSA-N 0 0 471.602 3.415 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@]4(CCSC4)C3)n2CCCC(=O)N(C)C)cc(OC)c1OC ZINC001299853341 1065059754 /nfs/dbraw/zinc/05/97/54/1065059754.db2.gz QTVMBZYFDXADDV-DEOSSOPVSA-N 0 0 489.642 3.173 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2cscc2C)cc(OC)c1OC ZINC001299853166 1065059768 /nfs/dbraw/zinc/05/97/68/1065059768.db2.gz PGPXSPJSHLZYJN-HNNXBMFYSA-N 0 0 471.583 3.091 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC001299853504 1065060154 /nfs/dbraw/zinc/06/01/54/1065060154.db2.gz RXYFDHDOQZTLNI-ZWKOTPCHSA-N 0 0 492.642 3.278 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC2(C(N)=O)CCCC2)cc(OC)c1OC ZINC001299853381 1065060218 /nfs/dbraw/zinc/06/02/18/1065060218.db2.gz RNIKEQOZLQYONM-OAHLLOKOSA-N 0 0 493.555 3.498 20 0 JGADRN COc1cc(-c2nnc(N3CCC=C(C)C3)n2C[C@H]2CCS(=O)(=O)C2)ccc1OC(C)C ZINC001299853583 1065060339 /nfs/dbraw/zinc/06/03/39/1065060339.db2.gz UHBJQXAJOXZIRJ-GOSISDBHSA-N 0 0 460.600 3.332 20 0 JGADRN COc1cc(-c2nnc(N3CCC4(COC(=O)N4)CC3)n2CCCOC(F)F)ccc1OC(C)C ZINC001299854074 1065061237 /nfs/dbraw/zinc/06/12/37/1065061237.db2.gz ZULFHVAQHNRBDK-UHFFFAOYSA-N 0 0 495.527 3.449 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H]4CCC[C@@H]43)n2CC(=O)NCC(F)(F)F)cc(OC)c1OC ZINC001299854469 1065061594 /nfs/dbraw/zinc/06/15/94/1065061594.db2.gz IGOFYFVOQNCVSV-ZBFHGGJFSA-N 0 0 497.518 3.418 20 0 JGADRN COc1cc(-c2nnc(N3CCCN(C(C)=O)CC3)n2CCc2ccsc2)cc(OC)c1OC ZINC001299854557 1065062325 /nfs/dbraw/zinc/06/23/25/1065062325.db2.gz KDXCRQFBHFNICQ-UHFFFAOYSA-N 0 0 485.610 3.334 20 0 JGADRN COc1cc(-c2nnc(N3CCCO[C@@H](C)C3)n2CC2(O)CCCCC2)cc(OC)c1OC ZINC001299854749 1065062773 /nfs/dbraw/zinc/06/27/73/1065062773.db2.gz MPQAONQRQKUXFB-KRWDZBQOSA-N 0 0 460.575 3.281 20 0 JGADRN COc1cc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@H]2CCC[C@H]2OC)cc(OC)c1OC ZINC001299855439 1065064072 /nfs/dbraw/zinc/06/40/72/1065064072.db2.gz UVECADVAYLHBGQ-ZHALLVOQSA-N 0 0 460.575 3.401 20 0 JGADRN COc1cc(-c2nnc(N3CCNC(=O)CC3)n2Cc2sccc2C)ccc1OC(C)C ZINC001299856632 1065065134 /nfs/dbraw/zinc/06/51/34/1065065134.db2.gz CFPDWGKPGMGQMS-UHFFFAOYSA-N 0 0 455.584 3.485 20 0 JGADRN COc1cc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@]2(C)CCCO2)cc(OC)c1OC ZINC001299856930 1065065857 /nfs/dbraw/zinc/06/58/57/1065065857.db2.gz IIDMXWTZBKOHOQ-QFIPXVFZSA-N 0 0 499.534 3.224 20 0 JGADRN COc1cc(-c2nnc(N3CCN(Cc4cscn4)CC3)n2CC(C)(C)O)ccc1OC(C)C ZINC001299857373 1065066635 /nfs/dbraw/zinc/06/66/35/1065066635.db2.gz OPJBJFJKHQSLGE-UHFFFAOYSA-N 0 0 486.642 3.291 20 0 JGADRN COc1cc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCC2CCOCC2)cc(OC)c1OC ZINC001299857598 1065066989 /nfs/dbraw/zinc/06/69/89/1065066989.db2.gz SYUJVUWVOICXHP-UHFFFAOYSA-N 0 0 495.571 3.175 20 0 JGADRN COc1cc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCSC(C)C)ccc1OC(C)C ZINC001299857642 1065067575 /nfs/dbraw/zinc/06/75/75/1065067575.db2.gz UYXQYYSHGRPNPW-SFHVURJKSA-N 0 0 474.631 3.096 20 0 JGADRN COc1cc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2Cc2ccsc2)cc(OC)c1OC ZINC001299857900 1065068999 /nfs/dbraw/zinc/06/89/99/1065068999.db2.gz BLRKJGDUWWINAU-UHFFFAOYSA-N 0 0 485.610 3.385 20 0 JGADRN COc1cc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2C[C@@H]2CC[C@H](C)C2)ccc1OC(C)C ZINC001299858022 1065069503 /nfs/dbraw/zinc/06/95/03/1065069503.db2.gz HBSNKDKBJXNJIP-LEWJYISDSA-N 0 0 498.672 3.387 20 0 JGADRN COc1cc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC2CCOCC2)ccc1OC(C)C ZINC001299858039 1065069517 /nfs/dbraw/zinc/06/95/17/1065069517.db2.gz HJVWMEXJOWRTJP-UHFFFAOYSA-N 0 0 485.629 3.472 20 0 JGADRN COc1cc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2C[C@@H]2CCCCS2)cc(OC)c1OC ZINC001299858061 1065069682 /nfs/dbraw/zinc/06/96/82/1065069682.db2.gz IECBPUYHCJKWMF-APWZRJJASA-N 0 0 489.642 3.314 20 0 JGADRN COc1cc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC(C)(C)O)ccc1OC(C)C ZINC001299858127 1065070065 /nfs/dbraw/zinc/07/00/65/1065070065.db2.gz KDQSSJVNKRUKEF-UHFFFAOYSA-N 0 0 473.618 3.207 20 0 JGADRN COc1cc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@](C)(O)c2ccsc2)ccc1OC(C)C ZINC001299858876 1065071090 /nfs/dbraw/zinc/07/10/90/1065071090.db2.gz USANGRAIWAHGLL-NSYGIPOTSA-N 0 0 499.637 3.377 20 0 JGADRN O=C(NC[C@@H]1CCCCN1C(=O)C(F)(F)F)c1ccn(-c2ccc(Br)cc2)n1 ZINC001299858884 1065071542 /nfs/dbraw/zinc/07/15/42/1065071542.db2.gz OZVVRZPJJHLWNW-AWEZNQCLSA-N 0 0 459.266 3.308 20 0 JGADRN COc1cc(-c2nnc(N3CCS(=O)CC3)n2CCCC(C)(C)C)cc(OC)c1OC ZINC001299859392 1065072055 /nfs/dbraw/zinc/07/20/55/1065072055.db2.gz BKMFRDYNOKPVSM-UHFFFAOYSA-N 0 0 450.605 3.366 20 0 JGADRN COc1ccc2c(C)c(CCC(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)c(=O)oc2c1 ZINC001299859580 1065072621 /nfs/dbraw/zinc/07/26/21/1065072621.db2.gz ADZSICSEWBVRJN-CQSZACIVSA-N 0 0 454.445 3.102 20 0 JGADRN COc1cc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC(C)(C)O)ccc1OC(C)C ZINC001299859828 1065073634 /nfs/dbraw/zinc/07/36/34/1065073634.db2.gz KIJRUBBGUZSMSY-LJQANCHMSA-N 0 0 462.591 3.142 20 0 JGADRN COc1cc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CCCSC)ccc1OC(C)C ZINC001299860022 1065074153 /nfs/dbraw/zinc/07/41/53/1065074153.db2.gz MLIFFWNXWBEKSD-HSZRJFAPSA-N 0 0 462.616 3.490 20 0 JGADRN COc1cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCn2cccn2)cc(OC)c1OC ZINC001299860029 1065074201 /nfs/dbraw/zinc/07/42/01/1065074201.db2.gz MORCMBYVOTWZQU-QGZVFWFLSA-N 0 0 470.574 3.261 20 0 JGADRN COc1cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCNC(=O)C(C)(C)C)cc(OC)c1OC ZINC001299860058 1065074692 /nfs/dbraw/zinc/07/46/92/1065074692.db2.gz NJDQXHYGSKERDU-MRXNPFEDSA-N 0 0 489.617 3.137 20 0 JGADRN COc1cc(-c2nnc(N3CCOC(C)(C)C3)n2CCc2n[nH]c(C)n2)ccc1OC(C)C ZINC001299860296 1065075050 /nfs/dbraw/zinc/07/50/50/1065075050.db2.gz QNIHRVRVOJXUJZ-UHFFFAOYSA-N 0 0 455.563 3.025 20 0 JGADRN COc1cc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2Cc2cnn(C)c2C)ccc1OC(C)C ZINC001299860682 1065076286 /nfs/dbraw/zinc/07/62/86/1065076286.db2.gz UZLZSMQXIQOWMK-JOCHJYFZSA-N 0 0 498.628 3.461 20 0 JGADRN COc1cc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccsc2)ccc1OC(C)C ZINC001299860950 1065076766 /nfs/dbraw/zinc/07/67/66/1065076766.db2.gz YQZGVOUANMISCT-UHFFFAOYSA-N 0 0 462.597 3.086 20 0 JGADRN COc1cc(-c2nnc(N3CCS[C@@H](C)C3)n2CCCNC(=O)C2CCC2)cc(OC)c1OC ZINC001299861576 1065077655 /nfs/dbraw/zinc/07/76/55/1065077655.db2.gz IWGFELJTNABLIP-INIZCTEOSA-N 0 0 489.642 3.219 20 0 JGADRN COc1cc(-c2nnc(N3CCSC[C@H]3C)n2CC2CCN(C(C)=O)CC2)cc(OC)c1OC ZINC001299861739 1065078256 /nfs/dbraw/zinc/07/82/56/1065078256.db2.gz LEBFBWJBSWOQBK-MRXNPFEDSA-N 0 0 489.642 3.171 20 0 JGADRN COc1cc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@]2(C)COCCO2)ccc1OC(C)C ZINC001299861854 1065078590 /nfs/dbraw/zinc/07/85/90/1065078590.db2.gz OEJPBJGZBQVSNL-SBUREZEXSA-N 0 0 462.616 3.488 20 0 JGADRN COc1cc(-c2nnc(Nc3ccn(C)n3)n2C[C@H]2CCCS(=O)(=O)C2)ccc1OC(C)C ZINC001299862929 1065080435 /nfs/dbraw/zinc/08/04/35/1065080435.db2.gz FHRCFNPKXKFDEV-MRXNPFEDSA-N 0 0 474.587 3.043 20 0 JGADRN COc1cc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCCO[C@H](C)C2)ccc1C ZINC001299863561 1065081131 /nfs/dbraw/zinc/08/11/31/1065081131.db2.gz NSAINHFOTRGAQL-GOSISDBHSA-N 0 0 450.543 3.100 20 0 JGADRN COc1cc(CCn2c(C(=O)NC(C)C)nnc2N2CCSC3(CCOCC3)C2)ccc1Cl ZINC001299863580 1065081174 /nfs/dbraw/zinc/08/11/74/1065081174.db2.gz OBFMTPDKANDFOM-UHFFFAOYSA-N 0 0 494.061 3.423 20 0 JGADRN COc1cc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@@H]2CCC[C@@H]2OC)ccc1OC(C)C ZINC001299863876 1065081514 /nfs/dbraw/zinc/08/15/14/1065081514.db2.gz QQHONDUMRSHVJY-DHNNRRLOSA-N 0 0 474.602 3.406 20 0 JGADRN COc1cc(-c2nnc(Nc3cnn(CC4CCC4)c3)n2CC(C)(C)O)cc(OC)c1OC ZINC001299864110 1065081598 /nfs/dbraw/zinc/08/15/98/1065081598.db2.gz SEJBVGGHEQBXOE-UHFFFAOYSA-N 0 0 456.547 3.482 20 0 JGADRN COc1cc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C(C)C)C2)ccc1Cl ZINC001299864173 1065082105 /nfs/dbraw/zinc/08/21/05/1065082105.db2.gz VHFRVWOICAFTPI-FQEVSTJZSA-N 0 0 461.994 3.280 20 0 JGADRN COc1cc(CCn2c(-c3cccnc3)nnc2N2CCC[C@@H](CC(N)=O)C2)ccc1Cl ZINC001299865025 1065082480 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Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3CCN3CCOC(C)(C)C3)C2)nc1 ZINC001492279936 1065372722 /nfs/dbraw/zinc/37/27/22/1065372722.db2.gz CECTUEZWWJIJLR-NRFANRHFSA-N 0 0 483.661 3.146 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4ccccc4C)n3CCC(=O)N(C)C)C2)nc1 ZINC001492280312 1065373366 /nfs/dbraw/zinc/37/33/66/1065373366.db2.gz FHOHDRJMNUCYQI-HXUWFJFHSA-N 0 0 475.597 3.290 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CC(C)(C)O)C2)nc1 ZINC001492281223 1065373772 /nfs/dbraw/zinc/37/37/72/1065373772.db2.gz OUUYLCOEIUTZMM-LJQANCHMSA-N 0 0 466.561 3.337 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H]4CCCCO4)n3C[C@](C)(O)C(C)C)C2)nc1 ZINC001492281787 1065375152 /nfs/dbraw/zinc/37/51/52/1065375152.db2.gz TYNXPGNQWDEWKK-RNHFSVANSA-N 0 0 470.618 3.485 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3nccs3)C2)cc1 ZINC001492289206 1065375869 /nfs/dbraw/zinc/37/58/69/1065375869.db2.gz WYIDUWGZZLQWDI-HKUYNNGSSA-N 0 0 470.599 3.227 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCOC2CCCC2)cc1 ZINC001492283919 1065377199 /nfs/dbraw/zinc/37/71/99/1065377199.db2.gz OEWOQXFJSBLZPD-UHFFFAOYSA-N 0 0 468.602 3.247 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)cc1 ZINC001492284481 1065377926 /nfs/dbraw/zinc/37/79/26/1065377926.db2.gz WPGGFSVBNBTBIZ-UHFFFAOYSA-N 0 0 472.590 3.079 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(C)C)cs2)cc1 ZINC001492286332 1065378484 /nfs/dbraw/zinc/37/84/84/1065378484.db2.gz BTOKSUJFTRLODR-KRWDZBQOSA-N 0 0 467.599 3.241 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccncc2Cl)cc1 ZINC001492286407 1065378544 /nfs/dbraw/zinc/37/85/44/1065378544.db2.gz DCABFTLMNYPWTI-UHFFFAOYSA-N 0 0 450.934 3.159 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)C2CCCCC2)cc1 ZINC001492287029 1065379100 /nfs/dbraw/zinc/37/91/00/1065379100.db2.gz MTPJYGQANBMIBQ-RUZDIDTESA-N 0 0 465.602 3.393 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCC2(C)C)cc1 ZINC001492286934 1065379118 /nfs/dbraw/zinc/37/91/18/1065379118.db2.gz JGNVPICOQVJZGI-RBUKOAKNSA-N 0 0 473.643 3.390 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCOC2CCOCC2)cc1 ZINC001492288068 1065381862 /nfs/dbraw/zinc/38/18/62/1065381862.db2.gz VQHUVJFSJDTSCD-HXUWFJFHSA-N 0 0 471.602 3.141 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCC(F)(F)F)cc1 ZINC001492288443 1065382418 /nfs/dbraw/zinc/38/24/18/1065382418.db2.gz MMIHJXUQJKAGRV-UHFFFAOYSA-N 0 0 452.481 3.126 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@@H]2CCCC[C@H]2C)cc1 ZINC001492288502 1065383188 /nfs/dbraw/zinc/38/31/88/1065383188.db2.gz YJQXJVLHVKPKMT-HLAWJBBLSA-N 0 0 468.602 3.208 20 0 JGADRN Cc1nnc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CCN1CCOC(C)(C)C1 ZINC001492289246 1065383312 /nfs/dbraw/zinc/38/33/12/1065383312.db2.gz XTELGMWAVHTLEH-OAQYLSRUSA-N 0 0 469.634 3.044 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ncnn3CC(F)F)n2CCC2CC2)cc1C ZINC001492238608 1065383914 /nfs/dbraw/zinc/38/39/14/1065383914.db2.gz UGFCJEOJGBUMID-UHFFFAOYSA-N 0 0 458.517 3.440 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C)C2)c1 ZINC001492301225 1065384723 /nfs/dbraw/zinc/38/47/23/1065384723.db2.gz BAPSBPPKVQWDMV-OAHLLOKOSA-N 0 0 458.469 3.109 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001492302012 1065385313 /nfs/dbraw/zinc/38/53/13/1065385313.db2.gz CYOXBWRPJRCVOQ-KRWDZBQOSA-N 0 0 481.519 3.070 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cnccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001492304479 1065388037 /nfs/dbraw/zinc/38/80/37/1065388037.db2.gz YPNJYHLPHBYORX-QGZVFWFLSA-N 0 0 492.552 3.097 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC001492305980 1065388233 /nfs/dbraw/zinc/38/82/33/1065388233.db2.gz PKRHBHQAHYQRDT-PMACEKPBSA-N 0 0 496.637 3.162 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@H]2CC=CCO2)cc1C ZINC001492310537 1065390065 /nfs/dbraw/zinc/39/00/65/1065390065.db2.gz FXGIHHPKETVRJW-SFHLNBCPSA-N 0 0 462.616 3.077 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCOC3)n2CC2(S(C)(=O)=O)CCCC2)cc1C ZINC001492316144 1065392312 /nfs/dbraw/zinc/39/23/12/1065392312.db2.gz GFFFVOORZRWJQW-IBGZPJMESA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492317661 1065393591 /nfs/dbraw/zinc/39/35/91/1065393591.db2.gz OVMMHYHLNBNTLN-TZIWHRDSSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492317660 1065393636 /nfs/dbraw/zinc/39/36/36/1065393636.db2.gz OVMMHYHLNBNTLN-PZJWPPBQSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2cc(C(C)(C)C)no2)cc1C ZINC001492318864 1065393976 /nfs/dbraw/zinc/39/39/76/1065393976.db2.gz ZOXSMQVZFLDSHA-SFHVURJKSA-N 0 0 487.626 3.431 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC(=O)N(C)C)cc1C ZINC001492323879 1065396848 /nfs/dbraw/zinc/39/68/48/1065396848.db2.gz YBHZEFSOTYKHAB-UHFFFAOYSA-N 0 0 451.575 3.112 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2COCCO2)cc1 ZINC001492325755 1065398250 /nfs/dbraw/zinc/39/82/50/1065398250.db2.gz RGQMORRVEMNLRH-NRFANRHFSA-N 0 0 452.559 3.131 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001545691806 1065398266 /nfs/dbraw/zinc/39/82/66/1065398266.db2.gz IXGJNPUAFLTMQY-ROUUACIJSA-N 0 0 479.585 3.075 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2Cc2ccc(C)n(C)c2=O)cc1 ZINC001492329076 1065398821 /nfs/dbraw/zinc/39/88/21/1065398821.db2.gz FKPZICPJTOBKNO-UHFFFAOYSA-N 0 0 464.595 3.356 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CC[C@@H]2COCCO2)cc1C ZINC001492329177 1065398868 /nfs/dbraw/zinc/39/88/68/1065398868.db2.gz HAADWISDBRCKLY-JOCHJYFZSA-N 0 0 474.602 3.115 20 0 JGADRN Cc1nc(CCn2c(COc3ccc(C)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)n[nH]1 ZINC001492326329 1065398883 /nfs/dbraw/zinc/39/88/83/1065398883.db2.gz YIABVJCJKLESHL-UHFFFAOYSA-N 0 0 461.574 3.385 20 0 JGADRN Cc1nc(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)CCN2CCOCC2)sc1C ZINC001492329069 1065398922 /nfs/dbraw/zinc/39/89/22/1065398922.db2.gz FIVVNWRBKCZXFL-UHFFFAOYSA-N 0 0 470.643 3.364 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492330538 1065400934 /nfs/dbraw/zinc/40/09/34/1065400934.db2.gz NKMGZAQPAFIOGL-QGZVFWFLSA-N 0 0 469.508 3.015 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCCn2cccn2)cc1 ZINC001492331042 1065401724 /nfs/dbraw/zinc/40/17/24/1065401724.db2.gz VQVFGFKNLCOQDS-UHFFFAOYSA-N 0 0 454.575 3.288 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCNC(=O)C(C)C)n2Cc2ccc(Cl)nc2)cc1 ZINC001492336299 1065402608 /nfs/dbraw/zinc/40/26/08/1065402608.db2.gz DTLWMSCTFZREIA-UHFFFAOYSA-N 0 0 456.978 3.471 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CCN2CCOC[C@@H]2C)cc1C ZINC001492332359 1065402741 /nfs/dbraw/zinc/40/27/41/1065402741.db2.gz YFDHERZFTSQWIZ-JTHBVZDNSA-N 0 0 457.619 3.200 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CCN2CCOCC2(C)C)cc1C ZINC001492331679 1065402843 /nfs/dbraw/zinc/40/28/43/1065402843.db2.gz UFDFAHDQKWUCFV-NRFANRHFSA-N 0 0 457.619 3.057 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)[C@H](N4CCOCC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001492336566 1065403485 /nfs/dbraw/zinc/40/34/85/1065403485.db2.gz BLYDYQAWTPLKIV-AZUAARDMSA-N 0 0 483.535 3.249 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@](C)(O)c2ccsc2)cc1C ZINC001492337980 1065405298 /nfs/dbraw/zinc/40/52/98/1065405298.db2.gz JGRGUXKFYOIBDF-KOSHJBKYSA-N 0 0 469.611 3.110 20 0 JGADRN Cc1ccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC2(C)CCOCC2)cc1C ZINC001492337661 1065405334 /nfs/dbraw/zinc/40/53/34/1065405334.db2.gz NXFXQPZNYYRLCJ-UHFFFAOYSA-N 0 0 476.643 3.304 20 0 JGADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)s1 ZINC001492339026 1065406852 /nfs/dbraw/zinc/40/68/52/1065406852.db2.gz MUKMQSONSROBTP-SJORKVTESA-N 0 0 454.600 3.401 20 0 JGADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(-c4cccnc4)n3CCC(=O)N(C)C)C2)cc1 ZINC001492289276 1065408378 /nfs/dbraw/zinc/40/83/78/1065408378.db2.gz YLQILFJFERTDQV-FQEVSTJZSA-N 0 0 490.612 3.165 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001492339894 1065408408 /nfs/dbraw/zinc/40/84/08/1065408408.db2.gz WRVYMVVXEOXSSJ-DHIUTWEWSA-N 0 0 457.619 3.138 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)cc1 ZINC001492294541 1065409834 /nfs/dbraw/zinc/40/98/34/1065409834.db2.gz IZGRHGMAONLWGO-BMHOQUIDSA-N 0 0 450.580 3.140 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CCC(N)=O)CC2)cc1 ZINC001492294833 1065409853 /nfs/dbraw/zinc/40/98/53/1065409853.db2.gz JXOWYOQYFPZRCT-PZJWPPBQSA-N 0 0 455.603 3.430 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CCC(N)=O)CC2)cc1 ZINC001492294832 1065409861 /nfs/dbraw/zinc/40/98/61/1065409861.db2.gz JXOWYOQYFPZRCT-FPOVZHCZSA-N 0 0 455.603 3.430 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@H]4CCOC4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001492351771 1065414000 /nfs/dbraw/zinc/41/40/00/1065414000.db2.gz FLHHDOMMXYCWDG-NRFANRHFSA-N 0 0 455.603 3.191 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2OCC[C@H]2C)cc1C ZINC001492353709 1065416242 /nfs/dbraw/zinc/41/62/42/1065416242.db2.gz JNBGAEDMDUFRHA-XMSQKQJNSA-N 0 0 455.603 3.381 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@H]2CCO[C@H](C)C2)cc1 ZINC001492354102 1065418080 /nfs/dbraw/zinc/41/80/80/1065418080.db2.gz WZXOWBLJULAUGH-CTNGQTDRSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCOc2ncccc2F)cc1 ZINC001492354060 1065418157 /nfs/dbraw/zinc/41/81/57/1065418157.db2.gz VMGOTGBXYXMYAR-UHFFFAOYSA-N 0 0 496.587 3.473 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](Cc4cnn(C)c4)C3)n2CCN(C)CC(F)(F)F)cc1 ZINC001492354140 1065418779 /nfs/dbraw/zinc/41/87/79/1065418779.db2.gz YLLGVGOHLDQLRZ-LJQANCHMSA-N 0 0 491.562 3.462 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCSC2)cc1 ZINC001492358448 1065418862 /nfs/dbraw/zinc/41/88/62/1065418862.db2.gz AQEFQYISQDBYSM-MHECFPHRSA-N 0 0 489.642 3.137 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@H]2CC=CCC2)cc1 ZINC001492360400 1065422220 /nfs/dbraw/zinc/42/22/20/1065422220.db2.gz SPVPTQQTMJDQIF-LJQANCHMSA-N 0 0 459.616 3.040 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001492362167 1065424151 /nfs/dbraw/zinc/42/41/51/1065424151.db2.gz CDKJRPORYUPFRS-SANMLTNESA-N 0 0 498.628 3.281 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@]2(O)CCCC2(C)C)cc1C ZINC001492364021 1065426512 /nfs/dbraw/zinc/42/65/12/1065426512.db2.gz RATDQOJTCQYKIN-VWLOTQADSA-N 0 0 490.670 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2CC(F)(F)C2)cc1C ZINC001492364295 1065427118 /nfs/dbraw/zinc/42/71/18/1065427118.db2.gz VZCDERYJEPAKPI-GOSISDBHSA-N 0 0 454.543 3.143 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC2CC(F)(F)C2)cc1C ZINC001492364296 1065427128 /nfs/dbraw/zinc/42/71/28/1065427128.db2.gz VZCDERYJEPAKPI-SFHVURJKSA-N 0 0 454.543 3.143 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001492368846 1065428717 /nfs/dbraw/zinc/42/87/17/1065428717.db2.gz HYHFTJVCKINMQA-GPWHBBDMSA-N 0 0 487.670 3.208 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H]4CCC[C@@H]43)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492369211 1065429658 /nfs/dbraw/zinc/42/96/58/1065429658.db2.gz MIXQLIHCPUJEHO-CTNGQTDRSA-N 0 0 461.632 3.181 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@@]2(O)CCOC2)cc1C ZINC001492369918 1065431124 /nfs/dbraw/zinc/43/11/24/1065431124.db2.gz DEUXRCPSZPRJTR-ZBLYBZFDSA-N 0 0 499.656 3.004 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCSCC(F)(F)F)cc1 ZINC001492369924 1065431229 /nfs/dbraw/zinc/43/12/29/1065431229.db2.gz DFANXGFYSYRRGZ-KRWDZBQOSA-N 0 0 492.589 3.474 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccnc(C(F)(F)F)c2)cc1 ZINC001492370590 1065433432 /nfs/dbraw/zinc/43/34/32/1065433432.db2.gz UYPCYYIUYJUERW-KRWDZBQOSA-N 0 0 474.487 3.329 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2cccc(Br)n2)cc1 ZINC001492370831 1065433456 /nfs/dbraw/zinc/43/34/56/1065433456.db2.gz LZOFOKNPCKHEAR-KRWDZBQOSA-N 0 0 499.413 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2nccn2C(F)F)cc1C ZINC001492370764 1065433461 /nfs/dbraw/zinc/43/34/61/1065433461.db2.gz LKTGHARPIISLCA-GOSISDBHSA-N 0 0 494.568 3.127 20 0 JGADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCC(=O)NC(C)C)C2)n1 ZINC001492370974 1065434420 /nfs/dbraw/zinc/43/44/20/1065434420.db2.gz NADGWRPYSDJSHY-JOCHJYFZSA-N 0 0 494.644 3.205 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CCS(C)(=O)=O)cc1C ZINC001492371162 1065435181 /nfs/dbraw/zinc/43/51/81/1065435181.db2.gz XKEPDBKFOQFODU-UHFFFAOYSA-N 0 0 469.405 3.007 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCCOC(F)(F)F)cc1C ZINC001492371607 1065435985 /nfs/dbraw/zinc/43/59/85/1065435985.db2.gz RYSFTMBAUJVSHA-GOSISDBHSA-N 0 0 490.548 3.414 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(F)(F)Br)cc1 ZINC001492372357 1065437391 /nfs/dbraw/zinc/43/73/91/1065437391.db2.gz YQWQRQYLSPTYLR-CQSZACIVSA-N 0 0 472.334 3.245 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](C)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492376825 1065438900 /nfs/dbraw/zinc/43/89/00/1065438900.db2.gz DMTFPQJXNPRYHQ-VQTJNVASSA-N 0 0 461.632 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN(C)C(=O)OC(C)(C)C)cc1C ZINC001492376945 1065439803 /nfs/dbraw/zinc/43/98/03/1065439803.db2.gz HCGVNZRUDWGCEK-IBGZPJMESA-N 0 0 486.617 3.043 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC2CC(C)(C)C2)cc1 ZINC001492377199 1065440757 /nfs/dbraw/zinc/44/07/57/1065440757.db2.gz MNEBWSHFJLLYBQ-UHFFFAOYSA-N 0 0 461.632 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CCC(=O)NC(C)C)cc1C ZINC001492378170 1065443135 /nfs/dbraw/zinc/44/31/35/1065443135.db2.gz JTJHMYIZSGGDBT-QFIPXVFZSA-N 0 0 465.602 3.464 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCCn2cc(CO)nn2)cc1C ZINC001492378400 1065443189 /nfs/dbraw/zinc/44/31/89/1065443189.db2.gz LIXLJSRALIKTFR-GOSISDBHSA-N 0 0 453.591 3.274 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H]3C3CCC3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001492379065 1065443743 /nfs/dbraw/zinc/44/37/43/1065443743.db2.gz PAXAMQWPPNJLNT-NRFANRHFSA-N 0 0 461.632 3.262 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[C@H]2CCOC2)cc1 ZINC001492379049 1065443890 /nfs/dbraw/zinc/44/38/90/1065443890.db2.gz OYFCDMSJGXBKLE-NRFANRHFSA-N 0 0 455.603 3.287 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)cc1 ZINC001492382750 1065444603 /nfs/dbraw/zinc/44/46/03/1065444603.db2.gz CAWSSXSQXZOWMB-IBVKSMDESA-N 0 0 484.645 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2OCCC2(C)C)cc1 ZINC001492379715 1065444672 /nfs/dbraw/zinc/44/46/72/1065444672.db2.gz VYWJNCSPUMTAFA-RTWAWAEBSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001492379713 1065444816 /nfs/dbraw/zinc/44/48/16/1065444816.db2.gz VYWJNCSPUMTAFA-LEWJYISDSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)N4CCCC4)CC3)n2CCCOC(F)(F)F)cc1 ZINC001492383016 1065446252 /nfs/dbraw/zinc/44/62/52/1065446252.db2.gz IHULNKHZCKHNGT-UHFFFAOYSA-N 0 0 496.534 3.430 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1 ZINC001492383239 1065447105 /nfs/dbraw/zinc/44/71/05/1065447105.db2.gz OWTSUROFYAAHSE-LEWJYISDSA-N 0 0 484.645 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2CCCC(C)C)cc1 ZINC001492383586 1065448812 /nfs/dbraw/zinc/44/88/12/1065448812.db2.gz WAXKGAULLICSNO-QFIPXVFZSA-N 0 0 455.603 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCNC(=O)C(C)C)cc1 ZINC001492384234 1065450225 /nfs/dbraw/zinc/45/02/25/1065450225.db2.gz FEVFIUFMXHPBSX-SFHVURJKSA-N 0 0 482.551 3.011 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCOC2CCCCCC2)cc1 ZINC001492384248 1065450278 /nfs/dbraw/zinc/45/02/78/1065450278.db2.gz FHTDOKVMLUSTLO-UHFFFAOYSA-N 0 0 498.672 3.115 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCN(C)C(=O)OC(C)(C)C)cc1C ZINC001492385212 1065452209 /nfs/dbraw/zinc/45/22/09/1065452209.db2.gz OHJZRNPSKYXFCZ-LJQANCHMSA-N 0 0 486.617 3.008 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCc2cnn(C)n2)cc1C ZINC001492343546 1065458084 /nfs/dbraw/zinc/45/80/84/1065458084.db2.gz CLLWNVQTQMIUGU-IBGZPJMESA-N 0 0 453.591 3.239 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CCC(=O)N(C)C)cc1C ZINC001492344168 1065458091 /nfs/dbraw/zinc/45/80/91/1065458091.db2.gz KEZVOBLNMDNHPP-HXUWFJFHSA-N 0 0 455.603 3.084 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001492390977 1065458872 /nfs/dbraw/zinc/45/88/72/1065458872.db2.gz IOCOJZQDTLPBLP-QGZVFWFLSA-N 0 0 471.549 3.248 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC2(O)CC2)cc1C ZINC001492344946 1065459646 /nfs/dbraw/zinc/45/96/46/1065459646.db2.gz SCWPULNRDBNZAN-UHFFFAOYSA-N 0 0 452.477 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CC(C)(C)C(F)(F)F)cc1 ZINC001492345326 1065460425 /nfs/dbraw/zinc/46/04/25/1065460425.db2.gz UKFRFSJCTKHDIU-WBVHZDCISA-N 0 0 451.493 3.469 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@]4(CCCOC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492345398 1065460456 /nfs/dbraw/zinc/46/04/56/1065460456.db2.gz VODVQIOSTVILRB-FQRUVTKNSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCNC(=O)C2CC2)cc1C ZINC001492346563 1065461728 /nfs/dbraw/zinc/46/17/28/1065461728.db2.gz IOTOAFSLFNLGNC-UHFFFAOYSA-N 0 0 496.656 3.083 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(C)C)CC3)n2CCN2CCCS2(=O)=O)cc1C ZINC001492346920 1065461822 /nfs/dbraw/zinc/46/18/22/1065461822.db2.gz NKYGMNBITSDLDD-UHFFFAOYSA-N 0 0 475.659 3.382 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCc2cn[nH]c2)cc1 ZINC001492347031 1065462696 /nfs/dbraw/zinc/46/26/96/1065462696.db2.gz PIFZINBKUYSAMS-UHFFFAOYSA-N 0 0 465.602 3.215 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCC(=O)N(C)C)cc1C ZINC001492347571 1065462829 /nfs/dbraw/zinc/46/28/29/1065462829.db2.gz VVSFQCDZQPPALH-QHCPKHFHSA-N 0 0 497.562 3.482 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@@H]2CCOC2)cc1 ZINC001492347856 1065463536 /nfs/dbraw/zinc/46/35/36/1065463536.db2.gz XXRKNLMDZODRJU-KRWDZBQOSA-N 0 0 481.519 3.097 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCNC(=O)C(C)C)cc1C ZINC001492392606 1065464412 /nfs/dbraw/zinc/46/44/12/1065464412.db2.gz ZGIWCROLWTWOLI-UHFFFAOYSA-N 0 0 496.578 3.321 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@]2(O)CCSC2)cc1C ZINC001492395072 1065466945 /nfs/dbraw/zinc/46/69/45/1065466945.db2.gz QVHSSYVHHLBHNQ-YLJYHZDGSA-N 0 0 472.533 3.109 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001492399786 1065468343 /nfs/dbraw/zinc/46/83/43/1065468343.db2.gz COZFSJBTBQBVIB-QFIPXVFZSA-N 0 0 468.602 3.194 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CCc2cccnc2)cc1 ZINC001492400372 1065469208 /nfs/dbraw/zinc/46/92/08/1065469208.db2.gz IAMZWHFMVWTKDL-HSZRJFAPSA-N 0 0 451.571 3.433 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2CC2(S(C)(=O)=O)CC2)cc1C ZINC001492400965 1065469961 /nfs/dbraw/zinc/46/99/61/1065469961.db2.gz GVCCLWHZRFQFGO-QZTJIDSGSA-N 0 0 464.657 3.381 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1C ZINC001492401132 1065471017 /nfs/dbraw/zinc/47/10/17/1065471017.db2.gz MNSOKBHXTTWOOB-TZIWHRDSSA-N 0 0 478.684 3.486 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001492401897 1065471149 /nfs/dbraw/zinc/47/11/49/1065471149.db2.gz NRYHIUZUCBMTNP-IFMALSPDSA-N 0 0 459.660 3.464 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCSCC(C)C)cc1C ZINC001492401987 1065471627 /nfs/dbraw/zinc/47/16/27/1065471627.db2.gz QHXLYQZNHWBANA-UHFFFAOYSA-N 0 0 466.673 3.488 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC[C@@H](C4CCC4)C3)n2CCCS(C)(=O)=O)cc1C ZINC001492401992 1065471733 /nfs/dbraw/zinc/47/17/33/1065471733.db2.gz QIAHNHFSTNQRNG-NRFANRHFSA-N 0 0 476.643 3.162 20 0 JGADRN Cc1ccc(OCc2nnc(Nc3ccn(C)n3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001492409045 1065474158 /nfs/dbraw/zinc/47/41/58/1065474158.db2.gz RETMEFPKMFZYCQ-GOSISDBHSA-N 0 0 479.507 3.296 20 0 JGADRN Cc1ccc(OCCCCn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC001492412498 1065476271 /nfs/dbraw/zinc/47/62/71/1065476271.db2.gz QUKOCAPPQXVDIL-UHFFFAOYSA-N 0 0 461.632 3.185 20 0 JGADRN Cc1ccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC001492415728 1065477278 /nfs/dbraw/zinc/47/72/78/1065477278.db2.gz DSDXUNJOWVDVGB-SFHVURJKSA-N 0 0 498.525 3.029 20 0 JGADRN Cc1ccc(OCCn2c(-c3cc(Br)cn3C)nnc2N2CCC(C(N)=O)CC2)cc1 ZINC001492424076 1065482795 /nfs/dbraw/zinc/48/27/95/1065482795.db2.gz DVULGIMJQMILJN-UHFFFAOYSA-N 0 0 487.402 3.135 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(Cc3ccncc3)n2Cc2ncnn2C(C)(C)C)cc1 ZINC001492422663 1065483045 /nfs/dbraw/zinc/48/30/45/1065483045.db2.gz XEKDLGCQFGQKQY-UHFFFAOYSA-N 0 0 460.586 3.482 20 0 JGADRN Cc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(OC3CCCC3)CC2)cc1 ZINC001492425189 1065483741 /nfs/dbraw/zinc/48/37/41/1065483741.db2.gz VJEYEUCFQZIDPV-IBGZPJMESA-N 0 0 491.658 3.204 20 0 JGADRN Cc1ccc(OCCn2c(-c3cccn3C)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC001492424608 1065483759 /nfs/dbraw/zinc/48/37/59/1065483759.db2.gz LIDUOEXFKLGLGF-HXUWFJFHSA-N 0 0 450.587 3.412 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)cc1 ZINC001492425749 1065484511 /nfs/dbraw/zinc/48/45/11/1065484511.db2.gz BIUKMNUQMZWYRZ-GOSISDBHSA-N 0 0 453.509 3.244 20 0 JGADRN Cc1ccc(OCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 ZINC001492425910 1065484624 /nfs/dbraw/zinc/48/46/24/1065484624.db2.gz CVYMJAUKYMLNGW-QHCPKHFHSA-N 0 0 451.571 3.282 20 0 JGADRN Cc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(c3nccs3)CC2)cc1 ZINC001492425385 1065484635 /nfs/dbraw/zinc/48/46/35/1065484635.db2.gz ZKZUGSGTHGDBTA-KRWDZBQOSA-N 0 0 490.655 3.116 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC001492426980 1065485298 /nfs/dbraw/zinc/48/52/98/1065485298.db2.gz NSDWZPWZIXUBKC-NHCUHLMSSA-N 0 0 455.603 3.301 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H]2CCOC2)cc1 ZINC001492426739 1065485328 /nfs/dbraw/zinc/48/53/28/1065485328.db2.gz JRNKXANXRIQCTJ-CTNGQTDRSA-N 0 0 487.601 3.199 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCOCC2)cc1 ZINC001492426503 1065485347 /nfs/dbraw/zinc/48/53/47/1065485347.db2.gz IDJLMNGPLRWGLA-NRFANRHFSA-N 0 0 487.601 3.201 20 0 JGADRN Cc1ccc(OCCn2c(Cc3ccccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC001492427784 1065486030 /nfs/dbraw/zinc/48/60/30/1065486030.db2.gz VKAYUCQUZPVVIZ-GOSISDBHSA-N 0 0 488.514 3.156 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCCCO3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1 ZINC001492427367 1065486188 /nfs/dbraw/zinc/48/61/88/1065486188.db2.gz QALIYBDYXSTPBM-SFTDATJTSA-N 0 0 462.616 3.311 20 0 JGADRN Cc1ccc(OCCn2c(-c3cnn(C)c3)nnc2N2CCCN(CC(F)(F)F)CC2)cc1 ZINC001492427485 1065486267 /nfs/dbraw/zinc/48/62/67/1065486267.db2.gz RIPLRUFOBFWAGC-UHFFFAOYSA-N 0 0 463.508 3.140 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3ccccn3)n2[C@@H]2C[C@H]2C(C)C)cc1 ZINC001492428791 1065486817 /nfs/dbraw/zinc/48/68/17/1065486817.db2.gz AUEVWKALJIOOGC-PZJWPPBQSA-N 0 0 454.600 3.280 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCCC3)n2C[C@H]2CCSC2)cc1 ZINC001492429136 1065486826 /nfs/dbraw/zinc/48/68/26/1065486826.db2.gz GSNHERIUKVSHST-GOSISDBHSA-N 0 0 463.673 3.412 20 0 JGADRN Cc1nc(C)c(Cn2c(-c3cccnc3)nnc2N(C)CCNS(=O)(=O)c2ccc(C)cc2)s1 ZINC001492428942 1065486857 /nfs/dbraw/zinc/48/68/57/1065486857.db2.gz CLVJFSOUFOJWCY-UHFFFAOYSA-N 0 0 497.650 3.185 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCS2)cc1 ZINC001492429157 1065487293 /nfs/dbraw/zinc/48/72/93/1065487293.db2.gz HGDCQDPWQOREAQ-PMACEKPBSA-N 0 0 493.699 3.181 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccn3C)n2CCC(C)(F)F)cc1 ZINC001492430476 1065488930 /nfs/dbraw/zinc/48/89/30/1065488930.db2.gz OMIWRMICGVCAPY-UHFFFAOYSA-N 0 0 466.558 3.052 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3ccccn3)n2CC2CCCC2)cc1 ZINC001492431156 1065488986 /nfs/dbraw/zinc/48/89/86/1065488986.db2.gz RDUIKXHSZYPSHD-UHFFFAOYSA-N 0 0 454.600 3.253 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccc(C)n3)n2CCOC(C)(C)C)cc1 ZINC001492431957 1065489022 /nfs/dbraw/zinc/48/90/22/1065489022.db2.gz UPPYYSISWPEESM-UHFFFAOYSA-N 0 0 486.642 3.187 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(Cl)nc2)cc1 ZINC001492432220 1065489753 /nfs/dbraw/zinc/48/97/53/1065489753.db2.gz XHOOOTVAHANQFF-UHFFFAOYSA-N 0 0 486.001 3.093 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccc3F)nnc2N2CCS[C@H](C)C2)s1 ZINC001492436963 1065492156 /nfs/dbraw/zinc/49/21/56/1065492156.db2.gz NQIZRTJPQZKHOM-MRXNPFEDSA-N 0 0 495.671 3.298 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3cccnc3)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492437077 1065492261 /nfs/dbraw/zinc/49/22/61/1065492261.db2.gz QKHHAYASLMNYPG-LJQANCHMSA-N 0 0 474.656 3.237 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCO3)nnc2N(Cc2ccco2)C(C)C)s1 ZINC001492437297 1065492908 /nfs/dbraw/zinc/49/29/08/1065492908.db2.gz WMBVQCGXCWHQTK-GOSISDBHSA-N 0 0 479.628 3.486 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)C)s1 ZINC001492437602 1065494530 /nfs/dbraw/zinc/49/45/30/1065494530.db2.gz YLULTJLRJFCJNY-UHFFFAOYSA-N 0 0 462.645 3.095 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccoc2C)s1 ZINC001492437959 1065494576 /nfs/dbraw/zinc/49/45/76/1065494576.db2.gz DYOUQQNSKIXDTK-GOSISDBHSA-N 0 0 479.628 3.406 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492438326 1065494932 /nfs/dbraw/zinc/49/49/32/1065494932.db2.gz HYMTZAYNMIJPLJ-ROUUACIJSA-N 0 0 467.661 3.493 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCCO3)nnc2N(C)CCC2CC2)s1 ZINC001492438344 1065495102 /nfs/dbraw/zinc/49/51/02/1065495102.db2.gz ISSLADAWJDKZFT-QGZVFWFLSA-N 0 0 453.634 3.104 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccn3)nnc2N2CCC(C)(C)CC2)s1 ZINC001492440223 1065496683 /nfs/dbraw/zinc/49/66/83/1065496683.db2.gz PXIDJCYBIHPHOO-UHFFFAOYSA-N 0 0 460.629 3.315 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nnc2N(C)CC(F)(F)F)s1 ZINC001492443065 1065499126 /nfs/dbraw/zinc/49/91/26/1065499126.db2.gz XOZKJWQXWKZNJL-UHFFFAOYSA-N 0 0 459.519 3.292 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)C)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001492444363 1065499853 /nfs/dbraw/zinc/49/98/53/1065499853.db2.gz BVTHBSAVKBRIEB-UHFFFAOYSA-N 0 0 476.647 3.364 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCC2(O)CCOCC2)cc1 ZINC001492445032 1065499925 /nfs/dbraw/zinc/49/99/25/1065499925.db2.gz HCQVHBKEORMPPH-UHFFFAOYSA-N 0 0 475.659 3.161 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001492445528 1065500336 /nfs/dbraw/zinc/50/03/36/1065500336.db2.gz KLLYQXGRDANVHX-VQTJNVASSA-N 0 0 470.643 3.405 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC3CCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492448250 1065501077 /nfs/dbraw/zinc/50/10/77/1065501077.db2.gz AOJSJCKZRIQNHU-LJQANCHMSA-N 0 0 463.673 3.397 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@@H]3CCOC3)n2CC2(CS(C)(=O)=O)CC2)cc1 ZINC001492448802 1065501480 /nfs/dbraw/zinc/50/14/80/1065501480.db2.gz IPNWHIUZZBRHFW-SFHVURJKSA-N 0 0 464.657 3.176 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001492448742 1065501494 /nfs/dbraw/zinc/50/14/94/1065501494.db2.gz HOGSONVPHMLSOY-VQTJNVASSA-N 0 0 493.699 3.166 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCn3cccn3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001492449090 1065502117 /nfs/dbraw/zinc/50/21/17/1065502117.db2.gz PGVCMWJPZLWUBN-UHFFFAOYSA-N 0 0 469.659 3.323 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCCS(C)(=O)=O)n2Cc2nccs2)cc1 ZINC001492449293 1065502280 /nfs/dbraw/zinc/50/22/80/1065502280.db2.gz RPPPANXEOAAVLB-UHFFFAOYSA-N 0 0 451.643 3.255 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001492449344 1065502866 /nfs/dbraw/zinc/50/28/66/1065502866.db2.gz RZLNFOWVEJSOTB-UUOWRZLLSA-N 0 0 476.643 3.254 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)cc1 ZINC001492449448 1065502929 /nfs/dbraw/zinc/50/29/29/1065502929.db2.gz UXJKGKCSMJPTPA-IBGZPJMESA-N 0 0 464.657 3.176 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCC(F)(F)F)n2CC2(O)CCS(=O)(=O)CC2)cc1 ZINC001492449587 1065502995 /nfs/dbraw/zinc/50/29/95/1065502995.db2.gz WKPVSKHJHIPSTN-UHFFFAOYSA-N 0 0 492.589 3.207 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)cc1 ZINC001492453838 1065504687 /nfs/dbraw/zinc/50/46/87/1065504687.db2.gz SCDIFGRHSCYGSK-PKOBYXMFSA-N 0 0 488.658 3.316 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2CCC(=O)NC(C)C)cc1 ZINC001492456685 1065506758 /nfs/dbraw/zinc/50/67/58/1065506758.db2.gz RWOSSJXWPURESJ-VWLOTQADSA-N 0 0 486.686 3.095 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(c4cnn(C)c4)CC3)n2CC(=O)N(C)C)cc1 ZINC001492456990 1065506918 /nfs/dbraw/zinc/50/69/18/1065506918.db2.gz VJGFGAJEBYEJSY-UHFFFAOYSA-N 0 0 453.616 3.085 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC4(COC(=O)N4)CC3)n2CCCNC(=O)C(C)C)cc1 ZINC001492460025 1065507990 /nfs/dbraw/zinc/50/79/90/1065507990.db2.gz NCFNOTFIUFTPBT-UHFFFAOYSA-N 0 0 486.642 3.120 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCc2cnn(C)n2)cc1 ZINC001492460212 1065508505 /nfs/dbraw/zinc/50/85/05/1065508505.db2.gz RGHZENZSXMLHKA-UHFFFAOYSA-N 0 0 496.685 3.381 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCCCCO)cc1 ZINC001492460112 1065508529 /nfs/dbraw/zinc/50/85/29/1065508529.db2.gz PDFCHEYFOBHXTJ-JOCHJYFZSA-N 0 0 464.657 3.056 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(F)(F)C3)n2CC2(C(N)=O)CCOCC2)cc1 ZINC001492460108 1065508663 /nfs/dbraw/zinc/50/86/63/1065508663.db2.gz OYBXZKIYPFEUKN-UHFFFAOYSA-N 0 0 451.543 3.006 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2Cc2nccs2)cc1 ZINC001492461970 1065510430 /nfs/dbraw/zinc/51/04/30/1065510430.db2.gz KUQPWFIQCRDSBO-QGZVFWFLSA-N 0 0 492.696 3.149 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2CC2CC2)cc1 ZINC001492463041 1065511355 /nfs/dbraw/zinc/51/13/55/1065511355.db2.gz SSVLJAVYXDQUKP-IBGZPJMESA-N 0 0 463.673 3.397 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC2(C)COC2)cc1 ZINC001492464050 1065511608 /nfs/dbraw/zinc/51/16/08/1065511608.db2.gz XXCDHDPICYDBHM-LJQANCHMSA-N 0 0 464.657 3.319 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC001492465603 1065511950 /nfs/dbraw/zinc/51/19/50/1065511950.db2.gz FFWAZQPEZCVEAZ-MSOLQXFVSA-N 0 0 496.603 3.430 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@H]2CCSC2)cc1 ZINC001492464215 1065511977 /nfs/dbraw/zinc/51/19/77/1065511977.db2.gz ZTKDBUMCYYKLPB-RTBURBONSA-N 0 0 495.740 3.398 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)N(C)C)cc1 ZINC001492466013 1065513764 /nfs/dbraw/zinc/51/37/64/1065513764.db2.gz SPPKGPNLIBNWKY-UHFFFAOYSA-N 0 0 474.631 3.024 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@H](c4ccco4)C3)n2CC(=O)NCC(F)F)cc1 ZINC001492467765 1065514999 /nfs/dbraw/zinc/51/49/99/1065514999.db2.gz LYDQZUVSQIGSPB-SFHVURJKSA-N 0 0 477.537 3.431 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCSC(C)(C)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 ZINC001492468825 1065517515 /nfs/dbraw/zinc/51/75/15/1065517515.db2.gz PLBSHKDDOMBVQN-KRWDZBQOSA-N 0 0 474.656 3.199 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCOC4(CCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001492468901 1065517578 /nfs/dbraw/zinc/51/75/78/1065517578.db2.gz RUJDSBRLGHWNHG-UHFFFAOYSA-N 0 0 469.533 3.317 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSc1ccc(C)cc1 ZINC001492469502 1065518446 /nfs/dbraw/zinc/51/84/46/1065518446.db2.gz MMOPBEHWOQWYIY-MRXNPFEDSA-N 0 0 480.685 3.390 20 0 JGADRN Cc1ccc(SCCn2c(-c3ccccn3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 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CC(C)(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001302021053 1066373971 /nfs/dbraw/zinc/37/39/71/1066373971.db2.gz RSIJNCZMWFXDET-AREMUKBSSA-N 0 0 462.598 3.178 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001302022224 1066375736 /nfs/dbraw/zinc/37/57/36/1066375736.db2.gz BVNCVPMEQJMUGA-XXBNENTESA-N 0 0 485.629 3.005 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001302022047 1066375771 /nfs/dbraw/zinc/37/57/71/1066375771.db2.gz AWRNNQBGBVRPBD-VAMGGRTRSA-N 0 0 460.623 3.319 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1Cc1ccc(C)cc1F ZINC001302022241 1066375966 /nfs/dbraw/zinc/37/59/66/1066375966.db2.gz CHEPHBJNBTXQQQ-RBUKOAKNSA-N 0 0 456.566 3.300 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1Cc1ccc(C)cc1F ZINC001302022239 1066376049 /nfs/dbraw/zinc/37/60/49/1066376049.db2.gz CHEPHBJNBTXQQQ-MOPGFXCFSA-N 0 0 456.566 3.300 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1C[C@]1(O)CCCC1(C)C ZINC001302022515 1066376235 /nfs/dbraw/zinc/37/62/35/1066376235.db2.gz DUWKHECRAKHGGT-DRMXPCRNSA-N 0 0 450.624 3.196 20 0 JGADRN COCCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001301548062 1066376825 /nfs/dbraw/zinc/37/68/25/1066376825.db2.gz PYFOYRXOUNBKGM-ZGXWSNOMSA-N 0 0 490.649 3.113 20 0 JGADRN COCCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001301547970 1066376957 /nfs/dbraw/zinc/37/69/57/1066376957.db2.gz OIXZLAJAKNLEOX-RBBKRZOGSA-N 0 0 455.603 3.348 20 0 JGADRN COCCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)=O)CC1 ZINC001301548592 1066377168 /nfs/dbraw/zinc/37/71/68/1066377168.db2.gz UTNIUEPSSACLOE-UHFFFAOYSA-N 0 0 480.407 3.105 20 0 JGADRN COCCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001301548883 1066377498 /nfs/dbraw/zinc/37/74/98/1066377498.db2.gz XHIPUHFYJXYCDS-FQEVSTJZSA-N 0 0 459.639 3.088 20 0 JGADRN COCCCCCn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001301550370 1066378020 /nfs/dbraw/zinc/37/80/20/1066378020.db2.gz NFLXAUCHVGJTGJ-XMMPIXPASA-N 0 0 494.706 3.139 20 0 JGADRN COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001301550201 1066378279 /nfs/dbraw/zinc/37/82/79/1066378279.db2.gz MSWOMOIGZAGUED-OALUTQOASA-N 0 0 478.638 3.070 20 0 JGADRN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CC(Cc3ccccc3Br)C2)C1 ZINC001302024490 1066378215 /nfs/dbraw/zinc/37/82/15/1066378215.db2.gz ATTZQBYBKSIPEH-KRWDZBQOSA-N 0 0 453.377 3.476 20 0 JGADRN COCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nc2ccccc2s1 ZINC001301550579 1066378771 /nfs/dbraw/zinc/37/87/71/1066378771.db2.gz CLRRENHGLGJVRA-WBVHZDCISA-N 0 0 478.644 3.266 20 0 JGADRN COCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001301551110 1066378779 /nfs/dbraw/zinc/37/87/79/1066378779.db2.gz XXBJTVNEPTVWBF-UHFFFAOYSA-N 0 0 470.618 3.457 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1C[C@@]1(C)CCCS1 ZINC001302023597 1066378813 /nfs/dbraw/zinc/37/88/13/1066378813.db2.gz HCHBIHRWXMRKDB-WZONZLPQSA-N 0 0 465.664 3.269 20 0 JGADRN COCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCOCC2(CCC2)C1 ZINC001301551334 1066379012 /nfs/dbraw/zinc/37/90/12/1066379012.db2.gz BGIGSMSWLDPCRL-UHFFFAOYSA-N 0 0 452.397 3.480 20 0 JGADRN COCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001301551555 1066379535 /nfs/dbraw/zinc/37/95/35/1066379535.db2.gz FAYYNNVNJQUBIJ-KRWDZBQOSA-N 0 0 477.363 3.404 20 0 JGADRN COCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001301551881 1066379662 /nfs/dbraw/zinc/37/96/62/1066379662.db2.gz ITVHUHOQYNVSEA-UHFFFAOYSA-N 0 0 475.590 3.446 20 0 JGADRN COCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001301551607 1066379745 /nfs/dbraw/zinc/37/97/45/1066379745.db2.gz GPEPAYDQNQOUMO-UHFFFAOYSA-N 0 0 494.434 3.447 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1Cc1cccc(O)c1 ZINC001302023986 1066379718 /nfs/dbraw/zinc/37/97/18/1066379718.db2.gz KRFUMNMIQPWQGS-FQEVSTJZSA-N 0 0 468.602 3.486 20 0 JGADRN COCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001301552332 1066380099 /nfs/dbraw/zinc/38/00/99/1066380099.db2.gz NSHTZYWDUCBKII-UHFFFAOYSA-N 0 0 478.544 3.311 20 0 JGADRN COCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(OCC(N)=O)CC1 ZINC001301552070 1066380293 /nfs/dbraw/zinc/38/02/93/1066380293.db2.gz KQNHUWWXCDXDPO-INIZCTEOSA-N 0 0 461.632 3.029 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1[C@@H]1C[C@H]1CF ZINC001302024190 1066380227 /nfs/dbraw/zinc/38/02/27/1066380227.db2.gz KTTBAODJKDEOOK-RIFZZMRRSA-N 0 0 463.529 3.071 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1Cc1ccc(Cl)s1 ZINC001302024146 1066380366 /nfs/dbraw/zinc/38/03/66/1066380366.db2.gz KMHYAXYXAVJVPE-AWEZNQCLSA-N 0 0 468.023 3.260 20 0 JGADRN COCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001301552570 1066380655 /nfs/dbraw/zinc/38/06/55/1066380655.db2.gz RICULIZAHOHRHX-KRWDZBQOSA-N 0 0 495.466 3.461 20 0 JGADRN COCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001301552810 1066380990 /nfs/dbraw/zinc/38/09/90/1066380990.db2.gz YBUCOXYJGHGKRM-AOMKIAJQSA-N 0 0 452.502 3.357 20 0 JGADRN COCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001301552680 1066381260 /nfs/dbraw/zinc/38/12/60/1066381260.db2.gz UADSGCGDDDYTLK-IBGZPJMESA-N 0 0 468.023 3.029 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)COC2 ZINC001302024345 1066381392 /nfs/dbraw/zinc/38/13/92/1066381392.db2.gz LYMFVAMAAFIIQW-LAUBAEHRSA-N 0 0 487.601 3.184 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001302024470 1066381650 /nfs/dbraw/zinc/38/16/50/1066381650.db2.gz NTVUTIGKPGUVNS-TZIWHRDSSA-N 0 0 477.650 3.046 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1Cc1occc1C ZINC001302024592 1066381662 /nfs/dbraw/zinc/38/16/62/1066381662.db2.gz NUNMCTFPKIXALT-GOSISDBHSA-N 0 0 485.560 3.490 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1Cc1ccc(C)nc1 ZINC001302024570 1066381959 /nfs/dbraw/zinc/38/19/59/1066381959.db2.gz MYGLEGUHOFALJT-GOSISDBHSA-N 0 0 484.626 3.214 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001302024808 1066382297 /nfs/dbraw/zinc/38/22/97/1066382297.db2.gz BATGYLIJHPXIMK-IPRDPGLQSA-N 0 0 462.566 3.054 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@@]1(C)CCCO1 ZINC001302024637 1066382442 /nfs/dbraw/zinc/38/24/42/1066382442.db2.gz OTYXILLCTNXOGL-UQBPGWFLSA-N 0 0 492.665 3.172 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(F)(F)CC2)n1CCCn1cc(Br)cn1 ZINC001302024863 1066382718 /nfs/dbraw/zinc/38/27/18/1066382718.db2.gz ATYTWBGJIOVANA-AWEZNQCLSA-N 0 0 477.354 3.287 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001302025337 1066383801 /nfs/dbraw/zinc/38/38/01/1066383801.db2.gz REDSXXNDYWLPGB-VSZNYVQBSA-N 0 0 455.575 3.226 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC1(SC)CCC1 ZINC001302025412 1066384117 /nfs/dbraw/zinc/38/41/17/1066384117.db2.gz DIZAUNMKUNURSH-CQSZACIVSA-N 0 0 452.543 3.181 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001302025591 1066384326 /nfs/dbraw/zinc/38/43/26/1066384326.db2.gz SKICNKMJSQBRDX-XDNAFOTISA-N 0 0 473.540 3.497 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC001301558567 1066385739 /nfs/dbraw/zinc/38/57/39/1066385739.db2.gz GUDUGAIDLMLRFQ-FZDIXFNVSA-N 0 0 456.543 3.321 20 0 JGADRN CC(C)(C)[C@]1(C)CN(c2nnc(CC3CCCC3)n2CC2CCS(=O)(=O)CC2)CCO1 ZINC001302026145 1066385976 /nfs/dbraw/zinc/38/59/76/1066385976.db2.gz BQINHXQIDLICIH-QHCPKHFHSA-N 0 0 452.665 3.477 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001302026224 1066386426 /nfs/dbraw/zinc/38/64/26/1066386426.db2.gz GQIVUQLPJNPHGO-WBVHZDCISA-N 0 0 485.507 3.008 20 0 JGADRN COCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001301560236 1066386538 /nfs/dbraw/zinc/38/65/38/1066386538.db2.gz PPVRIMWVVKITLL-UHFFFAOYSA-N 0 0 471.587 3.087 20 0 JGADRN COCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001301560030 1066386634 /nfs/dbraw/zinc/38/66/34/1066386634.db2.gz IEHGRYUTGBJFPB-GOSISDBHSA-N 0 0 462.938 3.303 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCc1nccs1 ZINC001302026525 1066386736 /nfs/dbraw/zinc/38/67/36/1066386736.db2.gz GQWAZBDVRIJWHL-IAGOWNOFSA-N 0 0 480.635 3.147 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1Cc1cc(F)ccc1SC ZINC001302026533 1066386874 /nfs/dbraw/zinc/38/68/74/1066386874.db2.gz GVGADUVDDGKEIJ-MRXNPFEDSA-N 0 0 479.622 3.359 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(Cn3ccnn3)CC2)n1Cc1c(F)cc(F)c(F)c1F ZINC001302026388 1066386906 /nfs/dbraw/zinc/38/69/06/1066386906.db2.gz VGMJSJJXWVTKHE-CQSZACIVSA-N 0 0 497.497 3.115 20 0 JGADRN CC(C)CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 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O=C(N[C@H](CO)c1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001302463403 1067068523 /nfs/dbraw/zinc/06/85/23/1067068523.db2.gz FSRQAEJHERFOGZ-LJQANCHMSA-N 0 0 456.486 3.343 20 0 JGADRN CC(C)C(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001302463254 1067068536 /nfs/dbraw/zinc/06/85/36/1067068536.db2.gz ZHLJRIJBSZMQGF-IYBDPMFKSA-N 0 0 496.990 3.361 20 0 JGADRN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CCN1C(=O)COc2ccccc21 ZINC001302463219 1067068548 /nfs/dbraw/zinc/06/85/48/1067068548.db2.gz BDYWCQNWCCTHOP-INIZCTEOSA-N 0 0 453.322 3.007 20 0 JGADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001302464305 1067068612 /nfs/dbraw/zinc/06/86/12/1067068612.db2.gz OYEDFUFAIZHPTC-PMACEKPBSA-N 0 0 451.420 3.223 20 0 JGADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nn1nnc2c1CCCC2)c1ccc(Br)cc1 ZINC001304023872 1067068880 /nfs/dbraw/zinc/06/88/80/1067068880.db2.gz IFONZNBCPIZVOT-INIZCTEOSA-N 0 0 450.337 3.256 20 0 JGADRN Cc1nccn1CCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001304023546 1067068974 /nfs/dbraw/zinc/06/89/74/1067068974.db2.gz NSWIQIYFWLTBGT-PZJWPPBQSA-N 0 0 465.602 3.332 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N[C@@H](CO)c3cccc(C(F)(F)F)c3)=NO2)C1 ZINC001302465124 1067068976 /nfs/dbraw/zinc/06/89/76/1067068976.db2.gz YPPGXGGBFYBRAQ-JXFKEZNVSA-N 0 0 457.449 3.011 20 0 JGADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC(=O)NC(C)C)c1C ZINC001304023949 1067069385 /nfs/dbraw/zinc/06/93/85/1067069385.db2.gz PWIFZNBKHCHHGY-VQTJNVASSA-N 0 0 470.618 3.041 20 0 JGADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@H]2CCSC2)c1C ZINC001304024128 1067069471 /nfs/dbraw/zinc/06/94/71/1067069471.db2.gz AHZSHQGWFDJQHW-VQTJNVASSA-N 0 0 493.699 3.260 20 0 JGADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[C@@H](O)C2)c1C ZINC001304024156 1067069824 /nfs/dbraw/zinc/06/98/24/1067069824.db2.gz QKHXANYPOORZDF-MXEMCNAFSA-N 0 0 455.603 3.288 20 0 JGADRN CC(C)C(=O)NCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001302466247 1067069835 /nfs/dbraw/zinc/06/98/35/1067069835.db2.gz FENOJUMOJSDSCO-QGZVFWFLSA-N 0 0 451.575 3.239 20 0 JGADRN CC(C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCC(COc2ccccc2)CC1 ZINC001302466423 1067070131 /nfs/dbraw/zinc/07/01/31/1067070131.db2.gz IJKNEWZJLSDSDW-UHFFFAOYSA-N 0 0 450.587 3.351 20 0 JGADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OCC(N)=O)CC3)n2CCc2cccnc2)c1C ZINC001304024932 1067070186 /nfs/dbraw/zinc/07/01/86/1067070186.db2.gz UCTNSBVEDHHHPC-FQEVSTJZSA-N 0 0 478.597 3.143 20 0 JGADRN CC(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001302466433 1067070215 /nfs/dbraw/zinc/07/02/15/1067070215.db2.gz IMUQGYMSEJTMDE-SFHVURJKSA-N 0 0 483.567 3.274 20 0 JGADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2Cc2ccco2)c1C ZINC001304024846 1067070279 /nfs/dbraw/zinc/07/02/79/1067070279.db2.gz SWZSBNZZSYPJRP-LJQANCHMSA-N 0 0 487.626 3.442 20 0 JGADRN 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CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001302517704 1067136885 /nfs/dbraw/zinc/13/68/85/1067136885.db2.gz AYSJXUCJIRROPD-RLWLMLJZSA-N 0 0 499.660 3.190 20 0 JGADRN Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2Cc2ccc(C)n(C)c2=O)cnn1C ZINC001304094376 1067137611 /nfs/dbraw/zinc/13/76/11/1067137611.db2.gz HWRQKGOXZUERFZ-UHFFFAOYSA-N 0 0 459.598 3.187 20 0 JGADRN CSC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001302518519 1067137921 /nfs/dbraw/zinc/13/79/21/1067137921.db2.gz KKOSOFAOWHIKSZ-KRWDZBQOSA-N 0 0 459.616 3.210 20 0 JGADRN CSC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC001302518916 1067138500 /nfs/dbraw/zinc/13/85/00/1067138500.db2.gz RSQXZYUXXVMONA-CQSZACIVSA-N 0 0 475.022 3.272 20 0 JGADRN CSC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC001302518915 1067138554 /nfs/dbraw/zinc/13/85/54/1067138554.db2.gz RSQXZYUXXVMONA-AWEZNQCLSA-N 0 0 475.022 3.272 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC(C)C)nc1 ZINC001304097400 1067138791 /nfs/dbraw/zinc/13/87/91/1067138791.db2.gz PHIOTQFEVCCTEU-UHFFFAOYSA-N 0 0 455.588 3.032 20 0 JGADRN Cc1c(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO[C@@H]2C(C)C)cnn1C ZINC001304097434 1067138803 /nfs/dbraw/zinc/13/88/03/1067138803.db2.gz QGNHAMMTRXBGGT-XMSQKQJNSA-N 0 0 485.658 3.399 20 0 JGADRN CC(C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302519227 1067138981 /nfs/dbraw/zinc/13/89/81/1067138981.db2.gz MTEUQEHKPICDBN-HLAWJBBLSA-N 0 0 482.629 3.457 20 0 JGADRN Cc1ccoc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001304097796 1067139395 /nfs/dbraw/zinc/13/93/95/1067139395.db2.gz AWISWYSWNFMRNV-ROUUACIJSA-N 0 0 472.590 3.202 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 ZINC001304097727 1067139436 /nfs/dbraw/zinc/13/94/36/1067139436.db2.gz FFLZCXBQWZJXHC-CEXWTWQISA-N 0 0 461.563 3.002 20 0 JGADRN CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC001302519894 1067139566 /nfs/dbraw/zinc/13/95/66/1067139566.db2.gz RVWAVOQAPSYFEE-QFIPXVFZSA-N 0 0 498.031 3.425 20 0 JGADRN CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001302519430 1067139634 /nfs/dbraw/zinc/13/96/34/1067139634.db2.gz OCIFRWLVYVLOQG-SFHVURJKSA-N 0 0 483.610 3.114 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 ZINC001304098152 1067140666 /nfs/dbraw/zinc/14/06/66/1067140666.db2.gz LEEMQTOGGNWOKH-MJGOQNOKSA-N 0 0 493.630 3.323 20 0 JGADRN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1)c1cccnc1 ZINC001302521224 1067140717 /nfs/dbraw/zinc/14/07/17/1067140717.db2.gz BBRRMWZHIJUKNQ-UXHICEINSA-N 0 0 475.659 3.409 20 0 JGADRN Cc1nnsc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001304098384 1067141016 /nfs/dbraw/zinc/14/10/16/1067141016.db2.gz KPFDHMPGOYQTQB-UHFFFAOYSA-N 0 0 456.482 3.048 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC[C@@H]1C ZINC001304098315 1067141019 /nfs/dbraw/zinc/14/10/19/1067141019.db2.gz OOZXUNNQNURAQH-ILZDJORESA-N 0 0 462.664 3.319 20 0 JGADRN CSC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001302522141 1067141853 /nfs/dbraw/zinc/14/18/53/1067141853.db2.gz QAHVHMXOESPLIW-LJQANCHMSA-N 0 0 485.702 3.359 20 0 JGADRN CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ncccc2F)CC1)N1CCOCC1 ZINC001302522362 1067142287 /nfs/dbraw/zinc/14/22/87/1067142287.db2.gz FJYAHFNQLCKXIS-JOCHJYFZSA-N 0 0 487.668 3.474 20 0 JGADRN Cc1nnsc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(F)(F)CC1 ZINC001304102554 1067143233 /nfs/dbraw/zinc/14/32/33/1067143233.db2.gz IPLUPQFBWQKPSC-UHFFFAOYSA-N 0 0 458.336 3.490 20 0 JGADRN Cc1nnsc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001304101675 1067143418 /nfs/dbraw/zinc/14/34/18/1067143418.db2.gz XCMKIKLYYQZXIE-UHFFFAOYSA-N 0 0 482.545 3.178 20 0 JGADRN Cc1nnsc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CCCO)CC1 ZINC001304103263 1067143929 /nfs/dbraw/zinc/14/39/29/1067143929.db2.gz WEEACVIJZRYJGA-UHFFFAOYSA-N 0 0 480.436 3.243 20 0 JGADRN CC(C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1)NC(=O)OC(C)(C)C ZINC001302523554 1067144608 /nfs/dbraw/zinc/14/46/08/1067144608.db2.gz KEZHFCIUSJNNJW-AKHDSKFASA-N 0 0 451.612 3.276 20 0 JGADRN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001302523873 1067145087 /nfs/dbraw/zinc/14/50/87/1067145087.db2.gz LNWJGEDDNOTZIK-HCXYKTFWSA-N 0 0 483.679 3.212 20 0 JGADRN Cc1c(Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)cnn1C ZINC001304104141 1067145082 /nfs/dbraw/zinc/14/50/82/1067145082.db2.gz HHGLHTCLZRBUCA-UHFFFAOYSA-N 0 0 486.418 3.102 20 0 JGADRN Cc1c(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(CC(F)(F)F)CC2)cnn1C ZINC001304104537 1067145846 /nfs/dbraw/zinc/14/58/46/1067145846.db2.gz GUZPARRCIRLOHB-UHFFFAOYSA-N 0 0 485.461 3.321 20 0 JGADRN CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302524297 1067145965 /nfs/dbraw/zinc/14/59/65/1067145965.db2.gz FHPPOKHUKGXLSI-PMACEKPBSA-N 0 0 490.674 3.001 20 0 JGADRN Cc1c(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)[C@H](C)C2)cnn1CC(C)C ZINC001304104422 1067145937 /nfs/dbraw/zinc/14/59/37/1067145937.db2.gz FFJMCLJTBULUNL-RTBURBONSA-N 0 0 499.685 3.497 20 0 JGADRN CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302524300 1067146101 /nfs/dbraw/zinc/14/61/01/1067146101.db2.gz FHPPOKHUKGXLSI-WOJBJXKFSA-N 0 0 490.674 3.001 20 0 JGADRN CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1cnccn1)NC(=O)OC(C)(C)C ZINC001302524034 1067146140 /nfs/dbraw/zinc/14/61/40/1067146140.db2.gz BLOROQACFLTHKG-HXUWFJFHSA-N 0 0 466.590 3.240 20 0 JGADRN Cc1c(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCN2CCOCC2)cnn1C ZINC001304105113 1067147185 /nfs/dbraw/zinc/14/71/85/1067147185.db2.gz REAFXEOIMNZFQR-UHFFFAOYSA-N 0 0 451.619 3.101 20 0 JGADRN Cc1ccsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001304105480 1067147713 /nfs/dbraw/zinc/14/77/13/1067147713.db2.gz QYASYYFKTDNMQD-IAGOWNOFSA-N 0 0 477.656 3.470 20 0 JGADRN Cc1nnsc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001304106055 1067148435 /nfs/dbraw/zinc/14/84/35/1067148435.db2.gz OZTHRQAKKKOCTB-ZDUSSCGKSA-N 0 0 452.382 3.249 20 0 JGADRN Cc1ccoc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001304106697 1067148943 /nfs/dbraw/zinc/14/89/43/1067148943.db2.gz RRYARJLMLVMSAV-OAHLLOKOSA-N 0 0 482.404 3.389 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC001304107853 1067149934 /nfs/dbraw/zinc/14/99/34/1067149934.db2.gz RFUJHXHCVJVLDX-LJQANCHMSA-N 0 0 456.312 3.171 20 0 JGADRN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001302526167 1067149984 /nfs/dbraw/zinc/14/99/84/1067149984.db2.gz VBRAMTPNPQJRSJ-RDGPPVDQSA-N 0 0 481.663 3.108 20 0 JGADRN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001302526165 1067150016 /nfs/dbraw/zinc/15/00/16/1067150016.db2.gz VBRAMTPNPQJRSJ-AKHDSKFASA-N 0 0 481.663 3.108 20 0 JGADRN CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1nncn1C)NC(=O)OC(C)(C)C ZINC001302526373 1067150395 /nfs/dbraw/zinc/15/03/95/1067150395.db2.gz UBFBKZGSVLNGSK-PMACEKPBSA-N 0 0 495.632 3.283 20 0 JGADRN Cc1ccsc1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001304110071 1067151646 /nfs/dbraw/zinc/15/16/46/1067151646.db2.gz BQWKJVLLXSNTQH-UHFFFAOYSA-N 0 0 450.494 3.486 20 0 JGADRN CSC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001302526858 1067151713 /nfs/dbraw/zinc/15/17/13/1067151713.db2.gz MINNARJTAJSGGF-INIZCTEOSA-N 0 0 484.091 3.302 20 0 JGADRN Cc1ccsc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001304110146 1067152123 /nfs/dbraw/zinc/15/21/23/1067152123.db2.gz CXAVTPXZGXOUKM-INIZCTEOSA-N 0 0 458.588 3.421 20 0 JGADRN CSC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC001302526892 1067152393 /nfs/dbraw/zinc/15/23/93/1067152393.db2.gz NDROBZWRHGROKG-FQEVSTJZSA-N 0 0 486.686 3.301 20 0 JGADRN CC(C)[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 ZINC001302527198 1067153094 /nfs/dbraw/zinc/15/30/94/1067153094.db2.gz AKJHQELDBIIVGS-NHTMILBNSA-N 0 0 455.647 3.017 20 0 JGADRN CC(C)[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC001302527529 1067154092 /nfs/dbraw/zinc/15/40/92/1067154092.db2.gz YHLZWTFZVYPSDL-MOPGFXCFSA-N 0 0 483.679 3.498 20 0 JGADRN CSC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCOC1 ZINC001302527721 1067154115 /nfs/dbraw/zinc/15/41/15/1067154115.db2.gz RGFLGAWMBYAJDR-GOSISDBHSA-N 0 0 459.664 3.457 20 0 JGADRN Cc1c(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)cnn1C ZINC001304114406 1067154280 /nfs/dbraw/zinc/15/42/80/1067154280.db2.gz WXJIXBBDKIIJIU-ZWKOTPCHSA-N 0 0 490.381 3.229 20 0 JGADRN Cc1c(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cnn1CC(C)C ZINC001304115008 1067154667 /nfs/dbraw/zinc/15/46/67/1067154667.db2.gz LBXZVSGNECGGLQ-PZJWPPBQSA-N 0 0 487.649 3.485 20 0 JGADRN 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XCZUSXFRJCULMH-CEXWTWQISA-N 0 0 487.736 3.261 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CCCn2cc(CO)nn2)c1 ZINC001304177533 1067226350 /nfs/dbraw/zinc/22/63/50/1067226350.db2.gz PRTHSGULCMDUFV-SFHVURJKSA-N 0 0 475.544 3.130 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2nncn2C)c1 ZINC001304177485 1067226451 /nfs/dbraw/zinc/22/64/51/1067226451.db2.gz OGKGMWURJAXOCW-IBGZPJMESA-N 0 0 496.616 3.144 20 0 JGADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)C1 ZINC001304177302 1067226515 /nfs/dbraw/zinc/22/65/15/1067226515.db2.gz RNIUGXKHVNLWCX-DFQSSKMNSA-N 0 0 450.601 3.458 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@H]2CC[C@H](C)C2)c1 ZINC001304178113 1067226923 /nfs/dbraw/zinc/22/69/23/1067226923.db2.gz DIQVHOQUZKDCKM-SIKLNZKXSA-N 0 0 496.656 3.083 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC001304178179 1067227337 /nfs/dbraw/zinc/22/73/37/1067227337.db2.gz DYRBUCVDRFZPBA-PZJWPPBQSA-N 0 0 497.562 3.352 20 0 JGADRN CS[C@@H](Cn1c(N2CCN(c3cncc4nc(C)nn43)CC2)nnc1C(C)(C)C)C(C)(C)C ZINC001302590428 1067227623 /nfs/dbraw/zinc/22/76/23/1067227623.db2.gz HVVUJXUSRXHFHV-KRWDZBQOSA-N 0 0 471.679 3.426 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001304178442 1067227750 /nfs/dbraw/zinc/22/77/50/1067227750.db2.gz YPCXRDCPKYQZCL-FHAGJXEFSA-N 0 0 455.603 3.117 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001304178444 1067227821 /nfs/dbraw/zinc/22/78/21/1067227821.db2.gz YPCXRDCPKYQZCL-WZOHSFFVSA-N 0 0 455.603 3.117 20 0 JGADRN CS[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)(C)C ZINC001302590742 1067228077 /nfs/dbraw/zinc/22/80/77/1067228077.db2.gz IPTBWKXDBUCEBN-ICSRJNTNSA-N 0 0 472.659 3.233 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCCS2)c1 ZINC001304178631 1067228181 /nfs/dbraw/zinc/22/81/81/1067228181.db2.gz KJWFQBABGFIWKW-PMACEKPBSA-N 0 0 464.657 3.383 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCCC3(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001304179546 1067228851 /nfs/dbraw/zinc/22/88/51/1067228851.db2.gz WQEMMBGMKXARKU-LJQANCHMSA-N 0 0 461.632 3.134 20 0 JGADRN CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3nc(C)cs3)C2)CCC1 ZINC001302591563 1067228791 /nfs/dbraw/zinc/22/87/91/1067228791.db2.gz IRIAHODVIYDBHS-HNNXBMFYSA-N 0 0 450.634 3.045 20 0 JGADRN CSC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001302591507 1067228809 /nfs/dbraw/zinc/22/88/09/1067228809.db2.gz HGOSGLSGGYCHLL-LJQANCHMSA-N 0 0 484.548 3.351 20 0 JGADRN CS[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21)C(C)(C)C ZINC001302591460 1067228872 /nfs/dbraw/zinc/22/88/72/1067228872.db2.gz LDXKRTAGSQLRHB-IPMKNSEASA-N 0 0 459.664 3.165 20 0 JGADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001304179880 1067229246 /nfs/dbraw/zinc/22/92/46/1067229246.db2.gz RAJXVUYQABGMBS-QQMNAOGKSA-N 0 0 455.596 3.212 20 0 JGADRN CS[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC001302591876 1067229253 /nfs/dbraw/zinc/22/92/53/1067229253.db2.gz MXYBTUXKQNZVPF-LJQANCHMSA-N 0 0 493.699 3.218 20 0 JGADRN NC(=O)[C@]12CCC[C@H]1CN(C(=O)c1ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c1)C2 ZINC001304180713 1067229771 /nfs/dbraw/zinc/22/97/71/1067229771.db2.gz WDUXRVWLROVUQA-QKKBWIMNSA-N 0 0 465.934 3.008 20 0 JGADRN CSC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001302592409 1067230085 /nfs/dbraw/zinc/23/00/85/1067230085.db2.gz ZQGGUOPNSAZTPZ-LJQANCHMSA-N 0 0 494.061 3.387 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CCC2(O)CCOCC2)c1 ZINC001304181404 1067230177 /nfs/dbraw/zinc/23/01/77/1067230177.db2.gz DJWCDEKWHSDVKL-QHCPKHFHSA-N 0 0 488.629 3.036 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)N2CCOCC2)c1 ZINC001304181399 1067230187 /nfs/dbraw/zinc/23/01/87/1067230187.db2.gz DILBIAYHJKEGII-UHFFFAOYSA-N 0 0 457.619 3.200 20 0 JGADRN CS[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccsc2)CC1)C(C)(C)C ZINC001302592887 1067230560 /nfs/dbraw/zinc/23/05/60/1067230560.db2.gz SVGISBIEXANKAJ-GOSISDBHSA-N 0 0 490.699 3.202 20 0 JGADRN CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](c3nc(C)cs3)C2)CCOCC1 ZINC001302592786 1067230578 /nfs/dbraw/zinc/23/05/78/1067230578.db2.gz ZVMONRSTRHKGRS-QGZVFWFLSA-N 0 0 478.688 3.477 20 0 JGADRN CC(C)c1nnc(N(C)CCCOc2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@@H]1C ZINC001302593195 1067231055 /nfs/dbraw/zinc/23/10/55/1067231055.db2.gz IRTKGAGLJYNEPO-OALUTQOASA-N 0 0 464.632 3.383 20 0 JGADRN CC(C)c1nnc(N(C)CCCOc2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@@H]1C ZINC001302593196 1067231190 /nfs/dbraw/zinc/23/11/90/1067231190.db2.gz IRTKGAGLJYNEPO-RBUKOAKNSA-N 0 0 464.632 3.383 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCO[C@@H]2CCOC2)c1 ZINC001304182212 1067231556 /nfs/dbraw/zinc/23/15/56/1067231556.db2.gz LSXMGUSBJOVMQR-HXUWFJFHSA-N 0 0 497.562 3.354 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2CC(F)(F)F)c1 ZINC001304182247 1067231594 /nfs/dbraw/zinc/23/15/94/1067231594.db2.gz MEJGZHPLGQNGQJ-UHFFFAOYSA-N 0 0 494.562 3.171 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2cc(COC(C)(C)C)on2)c1 ZINC001304182526 1067231972 /nfs/dbraw/zinc/23/19/72/1067231972.db2.gz PEKOHFZMWIUBKJ-IBGZPJMESA-N 0 0 496.612 3.492 20 0 JGADRN CS[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cccn2)CC1)C(C)(C)C ZINC001302594053 1067232069 /nfs/dbraw/zinc/23/20/69/1067232069.db2.gz YSIMUUZRNWZRSR-IBGZPJMESA-N 0 0 459.664 3.291 20 0 JGADRN CC(C)c1nnc(N(C)CCOCc2ccccc2)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001302594241 1067232089 /nfs/dbraw/zinc/23/20/89/1067232089.db2.gz BPLMRWUGJKMSTD-DEOSSOPVSA-N 0 0 459.660 3.262 20 0 JGADRN CC(C)c1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001302593950 1067232162 /nfs/dbraw/zinc/23/21/62/1067232162.db2.gz RPWAATKQEUOHFT-MRXNPFEDSA-N 0 0 470.574 3.047 20 0 JGADRN CS[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)(C)C ZINC001302594083 1067232196 /nfs/dbraw/zinc/23/21/96/1067232196.db2.gz YUNOHARJPHWSJJ-UGKGYDQZSA-N 0 0 484.670 3.469 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCc2cnn(C)n2)c1 ZINC001304182517 1067232527 /nfs/dbraw/zinc/23/25/27/1067232527.db2.gz PCHKSDNXRCHGGY-QFIPXVFZSA-N 0 0 467.618 3.487 20 0 JGADRN CC(C)c1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001302594462 1067232576 /nfs/dbraw/zinc/23/25/76/1067232576.db2.gz VYCUVRRESDNITO-UHFFFAOYSA-N 0 0 482.585 3.001 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(c4ccccn4)CC3)n2CCC(C)(C)O)c1 ZINC001304182870 1067232963 /nfs/dbraw/zinc/23/29/63/1067232963.db2.gz TXQHAWXEFDKFFA-UHFFFAOYSA-N 0 0 450.587 3.357 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@@H]2CCCSC2)c1 ZINC001304183024 1067233442 /nfs/dbraw/zinc/23/34/42/1067233442.db2.gz SYMRHKKMXRJZSW-PMACEKPBSA-N 0 0 493.699 3.087 20 0 JGADRN Cc1cnn(CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001304183107 1067233555 /nfs/dbraw/zinc/23/35/55/1067233555.db2.gz UDKBMMSIYRLUKE-LJQANCHMSA-N 0 0 464.492 3.447 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001304183253 1067233856 /nfs/dbraw/zinc/23/38/56/1067233856.db2.gz XCRBKONHMBJGQV-JPYJTQIMSA-N 0 0 494.562 3.025 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC(=O)NCc2ccco2)c1 ZINC001304183480 1067234380 /nfs/dbraw/zinc/23/43/80/1067234380.db2.gz VPEFRJWRRNJFEB-LJQANCHMSA-N 0 0 467.570 3.387 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CCN2CCOC[C@H]2C)c1 ZINC001304183553 1067234419 /nfs/dbraw/zinc/23/44/19/1067234419.db2.gz WMMSHOQJYDCIFQ-NHCUHLMSSA-N 0 0 457.619 3.198 20 0 JGADRN Cc1nc2n(n1)CCN(c1nnc(COc3cc(C)cc(C)c3)n1CCCNC(=O)OC(C)(C)C)C2 ZINC001304183601 1067234483 /nfs/dbraw/zinc/23/44/83/1067234483.db2.gz XEMVXCQTWJJIMU-UHFFFAOYSA-N 0 0 496.616 3.309 20 0 JGADRN Cc1cc(C)cc(OCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001304184306 1067235300 /nfs/dbraw/zinc/23/53/00/1067235300.db2.gz BUQQWYDEAFGEMR-LJQANCHMSA-N 0 0 486.617 3.216 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCO[C@H]2CCCC[C@@H]2C)c1 ZINC001304184015 1067235315 /nfs/dbraw/zinc/23/53/15/1067235315.db2.gz LWWZGAFXDAPPEM-UNMCSNQZSA-N 0 0 476.643 3.304 20 0 JGADRN CSC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)CC2)CCOCC1 ZINC001302599485 1067235630 /nfs/dbraw/zinc/23/56/30/1067235630.db2.gz RPUGFWCYLQTWAS-UHFFFAOYSA-N 0 0 485.473 3.189 20 0 JGADRN CSC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C)C2)CCOCC1 ZINC001302599502 1067235722 /nfs/dbraw/zinc/23/57/22/1067235722.db2.gz SPTLZNGLPYXLFX-INIZCTEOSA-N 0 0 450.630 3.107 20 0 JGADRN CSC1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001302599566 1067236202 /nfs/dbraw/zinc/23/62/02/1067236202.db2.gz VJUJAIXYYOLTMT-UHFFFAOYSA-N 0 0 470.687 3.348 20 0 JGADRN 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ZINC001304276503 1067314709 /nfs/dbraw/zinc/31/47/09/1067314709.db2.gz ZNCOTKQFYDJDOW-FQEVSTJZSA-N 0 0 473.643 3.337 20 0 JGADRN CSCc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC001302689936 1067314850 /nfs/dbraw/zinc/31/48/50/1067314850.db2.gz OCQSOQGUCLKROS-NRFANRHFSA-N 0 0 471.652 3.189 20 0 JGADRN CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302690002 1067315034 /nfs/dbraw/zinc/31/50/34/1067315034.db2.gz OCHKCWHXKMALGJ-CVEARBPZSA-N 0 0 486.505 3.128 20 0 JGADRN CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302690005 1067315187 /nfs/dbraw/zinc/31/51/87/1067315187.db2.gz OCHKCWHXKMALGJ-JKSUJKDBSA-N 0 0 486.505 3.128 20 0 JGADRN CC(C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001302690247 1067315213 /nfs/dbraw/zinc/31/52/13/1067315213.db2.gz SQJBJYDNJHGPEL-UHFFFAOYSA-N 0 0 499.607 3.450 20 0 JGADRN CC(C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001302690056 1067315272 /nfs/dbraw/zinc/31/52/72/1067315272.db2.gz PFVDILQVGDEVKA-MHZLTWQESA-N 0 0 482.673 3.171 20 0 JGADRN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(C)C)CC2)N2CCOCC2)o1 ZINC001304277620 1067316137 /nfs/dbraw/zinc/31/61/37/1067316137.db2.gz YFJJWJAFTUCXIH-OAQYLSRUSA-N 0 0 472.634 3.264 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001302691571 1067316409 /nfs/dbraw/zinc/31/64/09/1067316409.db2.gz XCTSVYVBSPENGD-CEXWTWQISA-N 0 0 492.690 3.491 20 0 JGADRN CSCc1cccc(Cn2c(CC(C)C)nnc2N2CCN(CC(=O)NC(C)C)CC2)c1 ZINC001302691553 1067316459 /nfs/dbraw/zinc/31/64/59/1067316459.db2.gz WRQYNPKRKGIDCM-UHFFFAOYSA-N 0 0 458.676 3.035 20 0 JGADRN CSCc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001302691414 1067316476 /nfs/dbraw/zinc/31/64/76/1067316476.db2.gz VARUGVKWTDGNEA-UXHICEINSA-N 0 0 464.657 3.444 20 0 JGADRN CC(C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC(C)(C)c1ccccn1 ZINC001302691198 1067316611 /nfs/dbraw/zinc/31/66/11/1067316611.db2.gz XAKSXBWKJRVKPQ-UHFFFAOYSA-N 0 0 475.641 3.213 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001302691572 1067316638 /nfs/dbraw/zinc/31/66/38/1067316638.db2.gz XCTSVYVBSPENGD-FHWLQOOXSA-N 0 0 492.690 3.491 20 0 JGADRN CCOc1n[nH]c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)n1 ZINC001302691736 1067316771 /nfs/dbraw/zinc/31/67/71/1067316771.db2.gz QRASPOOUUKAUJG-UHFFFAOYSA-N 0 0 453.883 3.357 20 0 JGADRN Cc1ccc(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CSCCS3)CC2)c1 ZINC001304278344 1067317605 /nfs/dbraw/zinc/31/76/05/1067317605.db2.gz NJRWYUXGVKTOPZ-LJQANCHMSA-N 0 0 474.700 3.208 20 0 JGADRN CC(C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCCS(=O)(=O)Cc1ccccc1 ZINC001302692240 1067317665 /nfs/dbraw/zinc/31/76/65/1067317665.db2.gz IUTYWSYSECXEBV-UHFFFAOYSA-N 0 0 488.683 3.185 20 0 JGADRN CC(C)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001302692552 1067318264 /nfs/dbraw/zinc/31/82/64/1067318264.db2.gz LAHPWMQHPSETRJ-HXUWFJFHSA-N 0 0 462.639 3.102 20 0 JGADRN CC(C)c1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1Cc1ncnn1C(C)(C)C ZINC001302692804 1067318329 /nfs/dbraw/zinc/31/83/29/1067318329.db2.gz ONSMBYJKGOXIPE-UHFFFAOYSA-N 0 0 471.009 3.299 20 0 JGADRN Cc1ccc(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCCCCS(C)(=O)=O)CC2)c1 ZINC001304278627 1067318492 /nfs/dbraw/zinc/31/84/92/1067318492.db2.gz TYCIQXUGASQUNV-JOCHJYFZSA-N 0 0 489.686 3.330 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2Cc2ccc(F)cn2)c1 ZINC001304278640 1067318761 /nfs/dbraw/zinc/31/87/61/1067318761.db2.gz UGMRRNKPWGZQCM-ROUUACIJSA-N 0 0 475.590 3.314 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001302693785 1067318760 /nfs/dbraw/zinc/31/87/60/1067318760.db2.gz HAZCINRCENQYKP-INIZCTEOSA-N 0 0 486.564 3.327 20 0 JGADRN CC(C)c1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001302693618 1067318814 /nfs/dbraw/zinc/31/88/14/1067318814.db2.gz WCBUZSKLOKATGE-LJQANCHMSA-N 0 0 494.731 3.445 20 0 JGADRN Cc1ccc(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCOC(C)C)CC2)c1 ZINC001304278972 1067319189 /nfs/dbraw/zinc/31/91/89/1067319189.db2.gz ZYTFESOHSZPVJT-NRFANRHFSA-N 0 0 454.619 3.378 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)C1CC1 ZINC001302694518 1067319597 /nfs/dbraw/zinc/31/95/97/1067319597.db2.gz RMAPLHQKJXZTLO-LJQANCHMSA-N 0 0 456.616 3.005 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001302694978 1067320108 /nfs/dbraw/zinc/32/01/08/1067320108.db2.gz CFQQHXHLIIBZAF-SFHVURJKSA-N 0 0 497.046 3.038 20 0 JGADRN Cc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N(C)CCOC(C)(C)C)N2CCOCC2)o1 ZINC001304279726 1067320138 /nfs/dbraw/zinc/32/01/38/1067320138.db2.gz ZGJBKOOMGLOOPG-QFIPXVFZSA-N 0 0 482.629 3.490 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCCC1(C)C ZINC001302695018 1067320328 /nfs/dbraw/zinc/32/03/28/1067320328.db2.gz DFXJSFQEWCSFPD-UYAOXDASSA-N 0 0 493.699 3.342 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)c1 ZINC001304280034 1067320631 /nfs/dbraw/zinc/32/06/31/1067320631.db2.gz OLEXJDAWKWIJHI-UHFFFAOYSA-N 0 0 469.611 3.473 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001302695310 1067320783 /nfs/dbraw/zinc/32/07/83/1067320783.db2.gz ZTZCLPJJWGKMMC-MAUKXSAKSA-N 0 0 466.602 3.329 20 0 JGADRN Cc1ccc(C)n1-c1c(C(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cnn1C ZINC001304280354 1067320862 /nfs/dbraw/zinc/32/08/62/1067320862.db2.gz FQTXVXMWZVYDLV-UHFFFAOYSA-N 0 0 457.575 3.070 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2ccccc2Br)n1CCS(C)(=O)=O ZINC001302695924 1067321035 /nfs/dbraw/zinc/32/10/35/1067321035.db2.gz LHZVDMWSVOMLTA-ZDUSSCGKSA-N 0 0 459.435 3.084 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCO1 ZINC001302695856 1067321072 /nfs/dbraw/zinc/32/10/72/1067321072.db2.gz KBUIUWCSRJWFGF-RBUKOAKNSA-N 0 0 479.672 3.096 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2ccccc2Br)n1CCS(C)(=O)=O ZINC001302695923 1067321168 /nfs/dbraw/zinc/32/11/68/1067321168.db2.gz LHZVDMWSVOMLTA-CYBMUJFWSA-N 0 0 459.435 3.084 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)COCCO1 ZINC001302696308 1067321476 /nfs/dbraw/zinc/32/14/76/1067321476.db2.gz NEYIOOVNCGXKGU-KDOFPFPSSA-N 0 0 456.410 3.173 20 0 JGADRN CC(C)c1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1C[C@@]1(O)CCSC1 ZINC001302697283 1067322274 /nfs/dbraw/zinc/32/22/74/1067322274.db2.gz BEEAMTATWZETOR-QFIPXVFZSA-N 0 0 466.051 3.124 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2C[C@H]2CC2(C)C)c1 ZINC001304281576 1067322383 /nfs/dbraw/zinc/32/23/83/1067322383.db2.gz BXQIZJRHOJNEEU-LJQANCHMSA-N 0 0 475.659 3.380 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@H]2CCC(=O)N2)c1 ZINC001304282035 1067322633 /nfs/dbraw/zinc/32/26/33/1067322633.db2.gz JUKUCWWNNURXAI-RBBKRZOGSA-N 0 0 496.656 3.130 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001304281958 1067322770 /nfs/dbraw/zinc/32/27/70/1067322770.db2.gz JQMGTSJLKPLLFK-LJQANCHMSA-N 0 0 498.628 3.185 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCCNS(C)(=O)=O ZINC001302697490 1067322786 /nfs/dbraw/zinc/32/27/86/1067322786.db2.gz SOJNEEWMMMXPAQ-LBPRGKRZSA-N 0 0 494.506 3.040 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001304281956 1067322810 /nfs/dbraw/zinc/32/28/10/1067322810.db2.gz JQMGTSJLKPLLFK-IBGZPJMESA-N 0 0 498.628 3.185 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001304281875 1067322841 /nfs/dbraw/zinc/32/28/41/1067322841.db2.gz IYEYTRLYJNCOBZ-DQEYMECFSA-N 0 0 457.619 3.363 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccncc1 ZINC001302697493 1067322998 /nfs/dbraw/zinc/32/29/98/1067322998.db2.gz SRACXAVLOFTCLD-IBGZPJMESA-N 0 0 457.625 3.318 20 0 JGADRN CSC[C@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1c[nH]nc1C ZINC001302697472 1067323106 /nfs/dbraw/zinc/32/31/06/1067323106.db2.gz SHYSBQXGWDDXHD-LJQANCHMSA-N 0 0 474.656 3.345 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1ncn(C)n1 ZINC001302697784 1067323121 /nfs/dbraw/zinc/32/31/21/1067323121.db2.gz UAZLOGSYWBKLAQ-NSHDSACASA-N 0 0 454.423 3.278 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001304282084 1067323216 /nfs/dbraw/zinc/32/32/16/1067323216.db2.gz KITNHFSJUIEMCB-FDDCHVKYSA-N 0 0 494.562 3.060 20 0 JGADRN CC(C)c1nnc(N2CCN(CCOc3ccccc3)CC2)n1CCOc1ncccc1F ZINC001302698213 1067323492 /nfs/dbraw/zinc/32/34/92/1067323492.db2.gz JJVKRGHDMJJZMZ-UHFFFAOYSA-N 0 0 454.550 3.216 20 0 JGADRN CNS(=O)(=O)c1csc(C(=O)Nc2ccc(I)c(Cl)c2)c1 ZINC001304282605 1067323513 /nfs/dbraw/zinc/32/35/13/1067323513.db2.gz PYUNOZDYODGMHW-UHFFFAOYSA-N 0 0 456.714 3.167 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCS(=O)(=O)N(C)C)c1 ZINC001304283293 1067324088 /nfs/dbraw/zinc/32/40/88/1067324088.db2.gz UBHJHLCWFCGGTQ-LJQANCHMSA-N 0 0 463.648 3.238 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)N2CCOCC2)c1 ZINC001304283339 1067324463 /nfs/dbraw/zinc/32/44/63/1067324463.db2.gz SEHYIAUNDDGXBA-JOCHJYFZSA-N 0 0 471.646 3.448 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCOCC3)n2CCCN2CCOCC2)c1 ZINC001304283409 1067324545 /nfs/dbraw/zinc/32/45/45/1067324545.db2.gz TXGLWQZMLFJDSR-UHFFFAOYSA-N 0 0 457.619 3.059 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@@H]2CCOC2)c1 ZINC001304283846 1067325081 /nfs/dbraw/zinc/32/50/81/1067325081.db2.gz MSAUYZVUGHYUTG-QFIPXVFZSA-N 0 0 471.646 3.305 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(C)C ZINC001302700308 1067325336 /nfs/dbraw/zinc/32/53/36/1067325336.db2.gz FQKKUVYPFPAFDB-KRWDZBQOSA-N 0 0 466.677 3.385 20 0 JGADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)n2CCC(C)(C)O)c1 ZINC001304284037 1067325452 /nfs/dbraw/zinc/32/54/52/1067325452.db2.gz XHVPURUQPKIQRN-ZYLNGJIFSA-N 0 0 458.603 3.408 20 0 JGADRN CSC[C@@H]1CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCCS(C)(=O)=O 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CC(C)CC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001303007935 1067562638 /nfs/dbraw/zinc/56/26/38/1067562638.db2.gz BKLXMISNIBVCLE-DEOSSOPVSA-N 0 0 453.566 3.388 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001303008281 1067563053 /nfs/dbraw/zinc/56/30/53/1067563053.db2.gz COFVXKDUWANPBL-XYHMEGALSA-N 0 0 455.603 3.383 20 0 JGADRN Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC001304483873 1067563291 /nfs/dbraw/zinc/56/32/91/1067563291.db2.gz XXUOGMIQRDHUOB-PXNSSMCTSA-N 0 0 485.633 3.102 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC001303008978 1067563578 /nfs/dbraw/zinc/56/35/78/1067563578.db2.gz HBOHUUCRALNGLK-RDGATRHJSA-N 0 0 468.602 3.150 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COc2ccccc2)C1 ZINC001303008976 1067563600 /nfs/dbraw/zinc/56/36/00/1067563600.db2.gz HBOHUUCRALNGLK-DHLKQENFSA-N 0 0 468.602 3.150 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C)C(=O)C1 ZINC001303009147 1067563926 /nfs/dbraw/zinc/56/39/26/1067563926.db2.gz PIAJMTHNMXSDPT-LJQANCHMSA-N 0 0 470.437 3.235 20 0 JGADRN Cc1cccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H]2CCCCS2(=O)=O)n1 ZINC001304484627 1067563909 /nfs/dbraw/zinc/56/39/09/1067563909.db2.gz XNDNYNSXWSQJOC-HLLBOEOZSA-N 0 0 453.559 3.343 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC2CCS(=O)(=O)CC2)n1 ZINC001304484822 1067563916 /nfs/dbraw/zinc/56/39/16/1067563916.db2.gz GEUSGDBILNVYEU-QHCPKHFHSA-N 0 0 461.632 3.115 20 0 JGADRN Cc1cccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H]2CCCCS2(=O)=O)n1 ZINC001304484628 1067563978 /nfs/dbraw/zinc/56/39/78/1067563978.db2.gz XNDNYNSXWSQJOC-UXLLHSPISA-N 0 0 453.559 3.343 20 0 JGADRN Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2cccc(COC(C)(C)C)c2)n1 ZINC001304484553 1067564000 /nfs/dbraw/zinc/56/40/00/1067564000.db2.gz VBAPNINDOHGKKF-UHFFFAOYSA-N 0 0 469.611 3.247 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CCC(=O)Nc2ccccc2)n1 ZINC001304485259 1067564316 /nfs/dbraw/zinc/56/43/16/1067564316.db2.gz ZIESDVICTAZBIC-OAQYLSRUSA-N 0 0 464.570 3.308 20 0 JGADRN Cc1cccc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CC(=O)NCCc2ccccc2)n1 ZINC001304486231 1067564832 /nfs/dbraw/zinc/56/48/32/1067564832.db2.gz VCFRFNFDZXGZCK-MOPGFXCFSA-N 0 0 450.612 3.338 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCS(=O)(=O)c2ccccc2)n1 ZINC001304486334 1067564953 /nfs/dbraw/zinc/56/49/53/1067564953.db2.gz NBPAFOYPQLMQKZ-LJQANCHMSA-N 0 0 495.527 3.280 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 ZINC001303010436 1067565113 /nfs/dbraw/zinc/56/51/13/1067565113.db2.gz MASNGAPXNJZHCN-ZEQRLZLVSA-N 0 0 456.566 3.103 20 0 JGADRN Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001304487036 1067565165 /nfs/dbraw/zinc/56/51/65/1067565165.db2.gz QXXUITISWKXYEJ-LAUBAEHRSA-N 0 0 478.601 3.421 20 0 JGADRN Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001304487035 1067565337 /nfs/dbraw/zinc/56/53/37/1067565337.db2.gz QXXUITISWKXYEJ-DYESRHJHSA-N 0 0 478.601 3.421 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)(=O)CC1 ZINC001303011186 1067565737 /nfs/dbraw/zinc/56/57/37/1067565737.db2.gz QPOSONJIVZGPOX-HSZRJFAPSA-N 0 0 473.599 3.022 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001303011022 1067565793 /nfs/dbraw/zinc/56/57/93/1067565793.db2.gz QBHPACSQDZIWAW-RUZDIDTESA-N 0 0 469.634 3.151 20 0 JGADRN Cc1cccc(CC2(O)CCN(c3nnc(C(C)(C)C)n3CC(=O)NCc3ccco3)CC2)c1 ZINC001304487641 1067565956 /nfs/dbraw/zinc/56/59/56/1067565956.db2.gz NGJFVPQLEYCOOG-UHFFFAOYSA-N 0 0 465.598 3.367 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[C@H](N2CCOCC2)C(F)(F)F)n1 ZINC001304487591 1067566072 /nfs/dbraw/zinc/56/60/72/1067566072.db2.gz VRUYRYPBMJITEB-PMACEKPBSA-N 0 0 482.551 3.163 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)n1 ZINC001304487594 1067566102 /nfs/dbraw/zinc/56/61/02/1067566102.db2.gz VRUYRYPBMJITEB-WOJBJXKFSA-N 0 0 482.551 3.163 20 0 JGADRN Cc1cccc([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[C@@H]3CCCCO3)C2)c1 ZINC001304487831 1067566330 /nfs/dbraw/zinc/56/63/30/1067566330.db2.gz OZIAYQNFDIWYRN-NRSPTQNISA-N 0 0 461.632 3.150 20 0 JGADRN Cc1cccc([C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCOC(F)F)C2)c1 ZINC001304488177 1067566707 /nfs/dbraw/zinc/56/67/07/1067566707.db2.gz UDAWWCZRWUVLHN-ROUUACIJSA-N 0 0 454.543 3.112 20 0 JGADRN Cc1cccc(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(=O)N(C)[C@@H](C)C2)n1 ZINC001304488192 1067566738 /nfs/dbraw/zinc/56/67/38/1067566738.db2.gz CCGMBPXKUVOHTM-FPOVZHCZSA-N 0 0 497.644 3.353 20 0 JGADRN Cc1cccc([C@H]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC(=O)NCC(F)(F)F)C2)c1 ZINC001304488416 1067566755 /nfs/dbraw/zinc/56/67/55/1067566755.db2.gz WAEDKSLAYTWONM-CVDCTZTESA-N 0 0 495.546 3.300 20 0 JGADRN Cc1cccc([C@@H]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC(=O)NCC(F)(F)F)C2)c1 ZINC001304488418 1067566764 /nfs/dbraw/zinc/56/67/64/1067566764.db2.gz WAEDKSLAYTWONM-XXBNENTESA-N 0 0 495.546 3.300 20 0 JGADRN Cc1cccc(CCCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H]2CCCOC2)n1 ZINC001304488308 1067566771 /nfs/dbraw/zinc/56/67/71/1067566771.db2.gz FKSUNFPGOQLZKJ-LJQANCHMSA-N 0 0 468.627 3.469 20 0 JGADRN NC(=O)[C@H](Cc1ccc(F)cc1)Cn1c(CC2CC2)nnc1N1CCC=C(Br)C1 ZINC001303012318 1067567068 /nfs/dbraw/zinc/56/70/68/1067567068.db2.gz DAUTWUMFPNRAEG-MRXNPFEDSA-N 0 0 462.367 3.203 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001303012660 1067567414 /nfs/dbraw/zinc/56/74/14/1067567414.db2.gz DCRKZOVWRBWVEB-RLWLMLJZSA-N 0 0 497.644 3.207 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(F)(F)F)C2)c1 ZINC001304489070 1067567486 /nfs/dbraw/zinc/56/74/86/1067567486.db2.gz BGDRHOJIHDDJLB-WBVHZDCISA-N 0 0 459.538 3.218 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccco1 ZINC001303012920 1067567662 /nfs/dbraw/zinc/56/76/62/1067567662.db2.gz GJRMTFUQAQJMEH-SVMVAKDDSA-N 0 0 450.605 3.302 20 0 JGADRN NC(=O)C1(c2ccccc2)CCN(c2nnc(Cc3ccsc3)n2CCOCC(F)F)CC1 ZINC001303013466 1067567926 /nfs/dbraw/zinc/56/79/26/1067567926.db2.gz QTIWYKWROHQTBU-UHFFFAOYSA-N 0 0 475.565 3.236 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(Cl)c(F)c2)n1 ZINC001304489921 1067568063 /nfs/dbraw/zinc/56/80/63/1067568063.db2.gz IVGSNGAEGCPJCP-OAHLLOKOSA-N 0 0 480.997 3.263 20 0 JGADRN Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)CC(C)C)n1 ZINC001304489924 1067568067 /nfs/dbraw/zinc/56/80/67/1067568067.db2.gz FPIOGEPPRBQBHG-UHFFFAOYSA-N 0 0 456.616 3.234 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C)c1 ZINC001304489500 1067568121 /nfs/dbraw/zinc/56/81/21/1067568121.db2.gz GMHYGJZJCURVFO-UHFFFAOYSA-N 0 0 458.570 3.463 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC001303013663 1067568207 /nfs/dbraw/zinc/56/82/07/1067568207.db2.gz KUYAOYLMOACPEL-CLOONOSVSA-N 0 0 483.665 3.207 20 0 JGADRN NC(=O)[C@@H](Cc1ccc(F)cc1)Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303013801 1067568212 /nfs/dbraw/zinc/56/82/12/1067568212.db2.gz VBMANMZZOZZKTC-IBGZPJMESA-N 0 0 496.553 3.178 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCc2sccc2C1 ZINC001303013656 1067568231 /nfs/dbraw/zinc/56/82/31/1067568231.db2.gz KUSSRIXACLLXKJ-XMSQKQJNSA-N 0 0 466.673 3.382 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001303013732 1067568239 /nfs/dbraw/zinc/56/82/39/1067568239.db2.gz LNJFKJBQIDHBDA-KOSHJBKYSA-N 0 0 465.639 3.463 20 0 JGADRN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)c1 ZINC001304490392 1067568712 /nfs/dbraw/zinc/56/87/12/1067568712.db2.gz LXVIJIHNEPOZPL-LJQANCHMSA-N 0 0 467.574 3.052 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001303014498 1067568805 /nfs/dbraw/zinc/56/88/05/1067568805.db2.gz NNXJOJGMNBDKRZ-XLNZFTOWSA-N 0 0 465.639 3.415 20 0 JGADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)NCC3(OCCO)CCCCC3)C2)C1 ZINC001304490903 1067568933 /nfs/dbraw/zinc/56/89/33/1067568933.db2.gz MKTDVLVHRWJJHT-FRIYVGAWSA-N 0 0 456.649 3.384 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)n1 ZINC001304490957 1067568970 /nfs/dbraw/zinc/56/89/70/1067568970.db2.gz PIWWCYPVEZUFDI-MZNJEOGPSA-N 0 0 452.534 3.205 20 0 JGADRN Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)[C@H](C)C2)n1 ZINC001304491132 1067569167 /nfs/dbraw/zinc/56/91/67/1067569167.db2.gz QCMIXMXYFPFFBF-QZTJIDSGSA-N 0 0 468.627 3.234 20 0 JGADRN Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@H](C)[C@@H](C)C2)n1 ZINC001304491133 1067569226 /nfs/dbraw/zinc/56/92/26/1067569226.db2.gz QCMIXMXYFPFFBF-ROUUACIJSA-N 0 0 468.627 3.234 20 0 JGADRN 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C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)CC1(C)C ZINC001305095391 1068162316 /nfs/dbraw/zinc/16/23/16/1068162316.db2.gz QGLICSCRKURBKV-CVEARBPZSA-N 0 0 499.479 3.102 20 0 JGADRN C[C@H](c1ccsc1)N1CCN(c2nnc([C@H]3CCOC3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001303631642 1068162620 /nfs/dbraw/zinc/16/26/20/1068162620.db2.gz XCBVNBHPMHXYAE-QSDPREHASA-N 0 0 465.689 3.274 20 0 JGADRN C[C@H](c1ccsc1)N1CCN(c2nnc([C@H]3CCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001303631641 1068162720 /nfs/dbraw/zinc/16/27/20/1068162720.db2.gz XCBVNBHPMHXYAE-PVQQOCSKSA-N 0 0 465.689 3.274 20 0 JGADRN C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)C[C@@H]1C ZINC001305095978 1068162761 /nfs/dbraw/zinc/16/27/61/1068162761.db2.gz RKJJDBGVPBGLLW-SHJAMOMRSA-N 0 0 463.623 3.105 20 0 JGADRN C[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2CC2(NC(=O)OC(C)(C)C)COC2)[C@@H]1C ZINC001305095620 1068162780 /nfs/dbraw/zinc/16/27/80/1068162780.db2.gz QDGYCSHIEXFNGO-RTBURBONSA-N 0 0 471.602 3.428 20 0 JGADRN C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)CC1(C)C ZINC001305095393 1068162806 /nfs/dbraw/zinc/16/28/06/1068162806.db2.gz QGLICSCRKURBKV-HZPDHXFCSA-N 0 0 499.479 3.102 20 0 JGADRN CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001305096385 1068163349 /nfs/dbraw/zinc/16/33/49/1068163349.db2.gz SWZGSSLOIPRKSY-AWEZNQCLSA-N 0 0 458.506 3.205 20 0 JGADRN COc1cc(OC)cc(C2(C(=O)N3CCC(CN=[S@](C)(=O)N(C)C)CC3)CCCC2)c1 ZINC001305097137 1068164460 /nfs/dbraw/zinc/16/44/60/1068164460.db2.gz QCTKBNZELITGKY-HKBQPEDESA-N 0 0 451.633 3.329 20 0 JGADRN C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001305098062 1068164884 /nfs/dbraw/zinc/16/48/84/1068164884.db2.gz YPXKPGAVWZMZRM-HOCLYGCPSA-N 0 0 458.506 3.016 20 0 JGADRN C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2csc(C(C)(C)C)n2)[C@H]1C ZINC001305097644 1068164940 /nfs/dbraw/zinc/16/49/40/1068164940.db2.gz WYPBVYFCQVWSGC-OWCLPIDISA-N 0 0 451.662 3.412 20 0 JGADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)CC(F)(F)F)CC[C@@H]1C ZINC001305097966 1068164947 /nfs/dbraw/zinc/16/49/47/1068164947.db2.gz DCKDXLFUKUTYBM-GJZGRUSLSA-N 0 0 458.554 3.246 20 0 JGADRN C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@@](C)=O)CCC2)CC1(C)C ZINC001305098312 1068165511 /nfs/dbraw/zinc/16/55/11/1068165511.db2.gz DPIPBKUGBRLZQR-RKXCMPKHSA-N 0 0 463.673 3.443 20 0 JGADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC1(C)C ZINC001303637997 1068165873 /nfs/dbraw/zinc/16/58/73/1068165873.db2.gz HEFAYOWAKZGQRW-KRWDZBQOSA-N 0 0 450.557 3.353 20 0 JGADRN C[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCNC(=O)c2ccn[nH]2)[C@@H]1C ZINC001305100198 1068166538 /nfs/dbraw/zinc/16/65/38/1068166538.db2.gz SVNNEWLMFLEMNF-HUUCEWRRSA-N 0 0 488.390 3.007 20 0 JGADRN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[C@@H]3C[C@H]3C3CC3)cc2)cc1 ZINC001303638473 1068166497 /nfs/dbraw/zinc/16/64/97/1068166497.db2.gz JYNFMACSXUUQNT-OFNKIYASSA-N 0 0 455.580 3.290 20 0 JGADRN 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JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H]1C(F)(F)C12CCC2 ZINC001303848748 1068482958 /nfs/dbraw/zinc/48/29/58/1068482958.db2.gz JPBIETUHYVSXOB-ARFHVFGLSA-N 0 0 475.606 3.108 20 0 JGADRN CNC(=O)c1cccc(N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC001303848852 1068483010 /nfs/dbraw/zinc/48/30/10/1068483010.db2.gz OYBZOWLCHWAUAI-UHFFFAOYSA-N 0 0 459.474 3.402 20 0 JGADRN CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001305280556 1068483378 /nfs/dbraw/zinc/48/33/78/1068483378.db2.gz YNLVCWMBVRFKHH-UHFFFAOYSA-N 0 0 474.556 3.191 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCOC1CCCCCC1 ZINC001303849126 1068483595 /nfs/dbraw/zinc/48/35/95/1068483595.db2.gz YSOZWGSQEPDVKH-JKSUJKDBSA-N 0 0 481.585 3.406 20 0 JGADRN O=C(N[C@H](C(=O)N[C@H]1CCc2ncc(Br)n2C1)c1ccccc1)c1ccccc1 ZINC001305281328 1068484067 /nfs/dbraw/zinc/48/40/67/1068484067.db2.gz SMIMSTRKISEUBW-PXNSSMCTSA-N 0 0 453.340 3.248 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccc2c(c1)CCCO2 ZINC001303850366 1068485478 /nfs/dbraw/zinc/48/54/78/1068485478.db2.gz UBIXYMJNERWUKU-YLJYHZDGSA-N 0 0 491.658 3.046 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1CCC(C)(C)C1CC1 ZINC001303850296 1068485484 /nfs/dbraw/zinc/48/54/84/1068485484.db2.gz RWMZMXWVFNIJQD-GBESFXJTSA-N 0 0 467.680 3.358 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCC(C)(C)C1CC1 ZINC001303850298 1068485490 /nfs/dbraw/zinc/48/54/90/1068485490.db2.gz RWMZMXWVFNIJQD-OTWHNJEPSA-N 0 0 467.680 3.358 20 0 JGADRN CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001305284570 1068485980 /nfs/dbraw/zinc/48/59/80/1068485980.db2.gz FJHWBRLRPAFUBJ-YWZLYKJASA-N 0 0 497.612 3.449 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1CCOCC(F)F ZINC001303850592 1068486051 /nfs/dbraw/zinc/48/60/51/1068486051.db2.gz WSBMKYVFIMWWSA-NVXWUHKLSA-N 0 0 496.584 3.035 20 0 JGADRN CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001305284982 1068486401 /nfs/dbraw/zinc/48/64/01/1068486401.db2.gz JASFFIGWXCTBAV-LJQANCHMSA-N 0 0 450.591 3.098 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CCOc1ccccc1 ZINC001303850915 1068486642 /nfs/dbraw/zinc/48/66/42/1068486642.db2.gz ANCPQQPBEQYBMC-APWZRJJASA-N 0 0 461.613 3.370 20 0 JGADRN CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC2(CCOCC2)C1 ZINC001305285176 1068487073 /nfs/dbraw/zinc/48/70/73/1068487073.db2.gz CIJGECHSFWUYJF-QHCPKHFHSA-N 0 0 473.643 3.411 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCN(C)c1ccccc1 ZINC001303851031 1068487229 /nfs/dbraw/zinc/48/72/29/1068487229.db2.gz BEKQKWPEXARNLV-GBXCKJPGSA-N 0 0 472.659 3.351 20 0 JGADRN CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001305285819 1068487695 /nfs/dbraw/zinc/48/76/95/1068487695.db2.gz BBYIWRNRHSRBJS-UHFFFAOYSA-N 0 0 458.994 3.479 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)n1CCCC(F)(F)F ZINC001303851085 1068487759 /nfs/dbraw/zinc/48/77/59/1068487759.db2.gz BJRVQMQANWRPKY-DZGCQCFKSA-N 0 0 489.520 3.301 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccs2)n1Cc1nccc(C(F)F)n1 ZINC001303851078 1068487875 /nfs/dbraw/zinc/48/78/75/1068487875.db2.gz BHCNNJADEAURKE-JSGCOSHPSA-N 0 0 483.570 3.067 20 0 JGADRN CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001305286684 1068488453 /nfs/dbraw/zinc/48/84/53/1068488453.db2.gz HSINDRHWTYLCEG-WZONZLPQSA-N 0 0 470.961 3.318 20 0 JGADRN CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001305287137 1068488866 /nfs/dbraw/zinc/48/88/66/1068488866.db2.gz IPGJIKMRBQSFJI-XDHUDOTRSA-N 0 0 474.581 3.102 20 0 JGADRN CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001305286988 1068488899 /nfs/dbraw/zinc/48/88/99/1068488899.db2.gz PYKNMNPBXNFMNN-UHFFFAOYSA-N 0 0 492.665 3.300 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CC[C@@H]1CCCCO1 ZINC001303851608 1068489726 /nfs/dbraw/zinc/48/97/26/1068489726.db2.gz GXBRXJHFSGYRFG-YESZJQIVSA-N 0 0 453.634 3.251 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1CCc1cccnc1 ZINC001303851580 1068489733 /nfs/dbraw/zinc/48/97/33/1068489733.db2.gz GTWUOLRERQISNA-OXJNMPFZSA-N 0 0 458.563 3.007 20 0 JGADRN CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001305288184 1068490218 /nfs/dbraw/zinc/49/02/18/1068490218.db2.gz VBDNHVUSLIDSCO-MSOLQXFVSA-N 0 0 476.622 3.470 20 0 JGADRN CC(C)[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001303851617 1068490297 /nfs/dbraw/zinc/49/02/97/1068490297.db2.gz GXHAGJSEUNUXQW-UWJYYQICSA-N 0 0 489.621 3.081 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1Cc1cccc(Br)n1 ZINC001303851623 1068490413 /nfs/dbraw/zinc/49/04/13/1068490413.db2.gz GXWNEGMDWBRMSG-UKRRQHHQSA-N 0 0 495.403 3.029 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1ccccc1Br ZINC001303851853 1068490874 /nfs/dbraw/zinc/49/08/74/1068490874.db2.gz IUVGWURPDFHHPW-ZDUSSCGKSA-N 0 0 456.410 3.078 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001303851970 1068490904 /nfs/dbraw/zinc/49/09/04/1068490904.db2.gz JMCGAYNMKJSBQP-KRWDZBQOSA-N 0 0 484.667 3.058 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CCCc1nccs1 ZINC001303851761 1068490950 /nfs/dbraw/zinc/49/09/50/1068490950.db2.gz ILKYCBOPIXZPGD-CABCVRRESA-N 0 0 466.658 3.381 20 0 JGADRN CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001305289171 1068491998 /nfs/dbraw/zinc/49/19/98/1068491998.db2.gz HSYJTHSRBGDSMA-SJORKVTESA-N 0 0 469.652 3.410 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2C)n1Cc1cccnc1Oc1cccc(F)c1 ZINC001303852624 1068492022 /nfs/dbraw/zinc/49/20/22/1068492022.db2.gz MJIIEZYTMFFDRR-HZPDHXFCSA-N 0 0 474.562 3.252 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001303852661 1068492069 /nfs/dbraw/zinc/49/20/69/1068492069.db2.gz NDUPWULZHJOAHO-GOSISDBHSA-N 0 0 496.678 3.226 20 0 JGADRN CC[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001305289649 1068492398 /nfs/dbraw/zinc/49/23/98/1068492398.db2.gz RJMMOSLCKDOTCU-XQQXVUDOSA-N 0 0 466.648 3.454 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1Cc1cc(C(C)(C)C)no1 ZINC001303853230 1068493083 /nfs/dbraw/zinc/49/30/83/1068493083.db2.gz OPFPQRQPRLIGSN-KXBFYZLASA-N 0 0 488.614 3.269 20 0 JGADRN CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001305290267 1068493056 /nfs/dbraw/zinc/49/30/56/1068493056.db2.gz VXTIGAJSLHJARA-DEOSSOPVSA-N 0 0 471.602 3.430 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001303853587 1068493520 /nfs/dbraw/zinc/49/35/20/1068493520.db2.gz RBQVUHIGUZWVII-SFHVURJKSA-N 0 0 488.658 3.446 20 0 JGADRN 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CC[C@@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001305568563 1068843736 /nfs/dbraw/zinc/84/37/36/1068843736.db2.gz GPTIDMHCKLHKEY-UTUOFQBUSA-N 0 0 475.903 3.180 20 0 JGADRN CC[C@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001305569591 1068844369 /nfs/dbraw/zinc/84/43/69/1068844369.db2.gz MSWHALOKBCZLSX-UAGQMJEPSA-N 0 0 482.507 3.305 20 0 JGADRN CC[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1CCS(=O)(=O)NC(C)C ZINC001305572907 1068846568 /nfs/dbraw/zinc/84/65/68/1068846568.db2.gz GUJLUCXBCOAWFC-SQGPQFPESA-N 0 0 467.611 3.225 20 0 JGADRN CC[C@@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1Cc1nncn1CC ZINC001305573202 1068846639 /nfs/dbraw/zinc/84/66/39/1068846639.db2.gz ZOMLSLRMAXDOGI-SQNIBIBYSA-N 0 0 458.611 3.287 20 0 JGADRN CC[C@H](C)c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1Cc1ccc(OCc2ccccn2)cc1 ZINC001305573488 1068847229 /nfs/dbraw/zinc/84/72/29/1068847229.db2.gz NBIKCKXHXAZEKV-JXHRLWIKSA-N 0 0 479.581 3.174 20 0 JGADRN CC[C@@H](C)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 ZINC001305574370 1068847725 /nfs/dbraw/zinc/84/77/25/1068847725.db2.gz XVFJFAXEKIJRMF-BTHPGYMESA-N 0 0 463.623 3.337 20 0 JGADRN CC[C@@H](C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001305575655 1068848843 /nfs/dbraw/zinc/84/88/43/1068848843.db2.gz YGXGTOLXXKIOFK-DYVFJYSZSA-N 0 0 465.530 3.202 20 0 JGADRN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001305577732 1068850012 /nfs/dbraw/zinc/85/00/12/1068850012.db2.gz SFYXBAVLYOVZFD-DLBZAZTESA-N 0 0 457.575 3.225 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001305579841 1068851153 /nfs/dbraw/zinc/85/11/53/1068851153.db2.gz WTWADAHHHQKUIC-QRVBRYPASA-N 0 0 457.623 3.296 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001305584416 1068853999 /nfs/dbraw/zinc/85/39/99/1068853999.db2.gz BGTMLVMSFHAYHN-LJQANCHMSA-N 0 0 463.634 3.444 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 ZINC001305585483 1068855272 /nfs/dbraw/zinc/85/52/72/1068855272.db2.gz HELDKDUZDVVYLT-APWZRJJASA-N 0 0 450.605 3.002 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 ZINC001305585118 1068855323 /nfs/dbraw/zinc/85/53/23/1068855323.db2.gz GYYBTHHGYADFQD-IEBWSBKVSA-N 0 0 478.638 3.128 20 0 JGADRN CC[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001305585900 1068855875 /nfs/dbraw/zinc/85/58/75/1068855875.db2.gz MABNVPUKMNVJNJ-OTWHNJEPSA-N 0 0 495.690 3.452 20 0 JGADRN CC[C@H](C)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@@H](C)CC ZINC001305586928 1068856327 /nfs/dbraw/zinc/85/63/27/1068856327.db2.gz QGVCTJCFYGPIQD-GBESFXJTSA-N 0 0 480.654 3.374 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N1CCSCC1 ZINC001305586718 1068856481 /nfs/dbraw/zinc/85/64/81/1068856481.db2.gz PCVLKVOVEZSTCC-MRXNPFEDSA-N 0 0 487.642 3.008 20 0 JGADRN CC[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 ZINC001305587482 1068856812 /nfs/dbraw/zinc/85/68/12/1068856812.db2.gz QFRNVOCUGUKQRM-MRUHUIDDSA-N 0 0 452.646 3.212 20 0 JGADRN CC[C@@H](C)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N1CCOCC1 ZINC001305589614 1068858536 /nfs/dbraw/zinc/85/85/36/1068858536.db2.gz AAJSOXPICFNITF-RTBURBONSA-N 0 0 460.648 3.018 20 0 JGADRN COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)c2ccccc2)cc1 ZINC001305590320 1068858879 /nfs/dbraw/zinc/85/88/79/1068858879.db2.gz DTFUHKFZVQJAJT-XMMPIXPASA-N 0 0 457.486 3.458 20 0 JGADRN CC[C@@H](C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001305592304 1068859423 /nfs/dbraw/zinc/85/94/23/1068859423.db2.gz HWGLGVMGNSVBDP-DVECYGJZSA-N 0 0 487.674 3.006 20 0 JGADRN CC[C@H](C)CN(C)c1nnc(CSc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 ZINC001305594370 1068860689 /nfs/dbraw/zinc/86/06/89/1068860689.db2.gz MZLDIJDEXZYSDF-KRWDZBQOSA-N 0 0 482.672 3.001 20 0 JGADRN CC[C@@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC001305597560 1068862019 /nfs/dbraw/zinc/86/20/19/1068862019.db2.gz FPEUXIOKQXKLQZ-MOPGFXCFSA-N 0 0 452.607 3.219 20 0 JGADRN CC[C@@H](C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC(C)(C)C1 ZINC001305598444 1068862410 /nfs/dbraw/zinc/86/24/10/1068862410.db2.gz KSWLNNSTUCSPRI-LJQANCHMSA-N 0 0 491.706 3.221 20 0 JGADRN CC[C@H](C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 ZINC001305598914 1068862616 /nfs/dbraw/zinc/86/26/16/1068862616.db2.gz NNSBBYRBDLIGMM-SFHVURJKSA-N 0 0 473.643 3.249 20 0 JGADRN CC[C@@H](C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1NC(=O)CC1(C)C ZINC001305599945 1068863695 /nfs/dbraw/zinc/86/36/95/1068863695.db2.gz VOUNUZYNSFYBHS-XLIONFOSSA-N 0 0 479.629 3.462 20 0 JGADRN CC[C@H](C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H]1CCC(=O)N1 ZINC001305600228 1068863762 /nfs/dbraw/zinc/86/37/62/1068863762.db2.gz XDYXTLJOBGXRAC-ZWKOTPCHSA-N 0 0 465.602 3.387 20 0 JGADRN CC[C@@H](C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001305601963 1068864159 /nfs/dbraw/zinc/86/41/59/1068864159.db2.gz IVYWHLCGBULFNC-GOSISDBHSA-N 0 0 478.659 3.286 20 0 JGADRN CC[C@H](C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C ZINC001305601170 1068864260 /nfs/dbraw/zinc/86/42/60/1068864260.db2.gz PXWKUSIZEGCGRA-RBUKOAKNSA-N 0 0 480.654 3.374 20 0 JGADRN CC[C@H](C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 ZINC001305601223 1068864309 /nfs/dbraw/zinc/86/43/09/1068864309.db2.gz QTYWFHXBGCDGLR-HKUYNNGSSA-N 0 0 461.611 3.241 20 0 JGADRN CC[C@@H](C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 ZINC001305602118 1068864802 /nfs/dbraw/zinc/86/48/02/1068864802.db2.gz XLLMXUCJOHUHMN-GCJKJVERSA-N 0 0 477.675 3.343 20 0 JGADRN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001305615797 1068894230 /nfs/dbraw/zinc/89/42/30/1068894230.db2.gz CMBXRLTWACUYID-PKOBYXMFSA-N 0 0 493.699 3.071 20 0 JGADRN CC[C@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CCO[C@H](Cn3cccn3)C2)c1 ZINC001305621424 1068907612 /nfs/dbraw/zinc/90/76/12/1068907612.db2.gz CEKJUVVEWACPHT-UGKGYDQZSA-N 0 0 465.602 3.080 20 0 JGADRN CC[C@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC001305622186 1068910249 /nfs/dbraw/zinc/91/02/49/1068910249.db2.gz FROHPIMMLDALII-LPHOPBHVSA-N 0 0 494.562 3.483 20 0 JGADRN CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC001305622184 1068910273 /nfs/dbraw/zinc/91/02/73/1068910273.db2.gz FROHPIMMLDALII-APWZRJJASA-N 0 0 494.562 3.483 20 0 JGADRN CC[C@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC001305623518 1068913824 /nfs/dbraw/zinc/91/38/24/1068913824.db2.gz LMRCITSNTGHAHQ-NZQKXSOJSA-N 0 0 468.646 3.279 20 0 JGADRN CC[C@H](C)NC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@](C)(CC)C2)c1 ZINC001305624261 1068917173 /nfs/dbraw/zinc/91/71/73/1068917173.db2.gz QLLASPJYDJJZNJ-AFMDSPMNSA-N 0 0 482.629 3.096 20 0 JGADRN CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(COC)CC2)c1 ZINC001305624242 1068917316 /nfs/dbraw/zinc/91/73/16/1068917316.db2.gz QEAUCHCFLSGUGT-SFHVURJKSA-N 0 0 465.602 3.118 20 0 JGADRN CC[C@H](C)NC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C)[C@H]2C)c1 ZINC001305624443 1068917796 /nfs/dbraw/zinc/91/77/96/1068917796.db2.gz RIFHIGGEDITQLV-CEXWTWQISA-N 0 0 452.603 3.325 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001305624727 1068918088 /nfs/dbraw/zinc/91/80/88/1068918088.db2.gz GJQHBLKZMMAOTM-SFHVURJKSA-N 0 0 489.580 3.230 20 0 JGADRN CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCOCC2)c1 ZINC001305624646 1068918159 /nfs/dbraw/zinc/91/81/59/1068918159.db2.gz SJBZAJPFTUYPSM-HNNXBMFYSA-N 0 0 487.402 3.449 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 ZINC001305624532 1068918340 /nfs/dbraw/zinc/91/83/40/1068918340.db2.gz DQURUHQEAARVKZ-IAGOWNOFSA-N 0 0 475.565 3.251 20 0 JGADRN CC[C@@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)C[C@H](C)C2)c1 ZINC001305625076 1068918889 /nfs/dbraw/zinc/91/88/89/1068918889.db2.gz BFEHCSQTYSUMMB-HSALFYBXSA-N 0 0 466.630 3.459 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305625379 1068920278 /nfs/dbraw/zinc/92/02/78/1068920278.db2.gz KBFHVZLBDRLKHB-PBPSECFOSA-N 0 0 477.009 3.078 20 0 JGADRN CC[C@@H](C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCC(=O)N[C@@H](C)CC ZINC001305625675 1068920812 /nfs/dbraw/zinc/92/08/12/1068920812.db2.gz MMCMQVCFGPZNNW-OWSLCNJRSA-N 0 0 450.628 3.446 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCn2nc(C)nc2C1 ZINC001305625713 1068921078 /nfs/dbraw/zinc/92/10/78/1068921078.db2.gz MNVGMNFYXGESMR-CVEARBPZSA-N 0 0 487.008 3.296 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001305625738 1068921203 /nfs/dbraw/zinc/92/12/03/1068921203.db2.gz MQEDZLROXRFEOU-ZWKOTPCHSA-N 0 0 477.569 3.018 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001305625737 1068921216 /nfs/dbraw/zinc/92/12/16/1068921216.db2.gz MQEDZLROXRFEOU-ROUUACIJSA-N 0 0 477.569 3.018 20 0 JGADRN CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[C@H](C)C2)c1 ZINC001305625797 1068921229 /nfs/dbraw/zinc/92/12/29/1068921229.db2.gz ZITSYUURVIPLIA-CEXWTWQISA-N 0 0 452.603 3.183 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(F)(F)F ZINC001305625979 1068921616 /nfs/dbraw/zinc/92/16/16/1068921616.db2.gz NRNCMLAHXMEQTA-HNNXBMFYSA-N 0 0 454.497 3.451 20 0 JGADRN CC[C@@H](C)NC(=O)c1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCOC[C@H]2C)c1 ZINC001305625868 1068921708 /nfs/dbraw/zinc/92/17/08/1068921708.db2.gz FVMWCAAXSHQNBW-IAGOWNOFSA-N 0 0 468.627 3.436 20 0 JGADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCC(=O)N[C@@H](C)CC)c1ccccc1 ZINC001305626017 1068922168 /nfs/dbraw/zinc/92/21/68/1068922168.db2.gz NYOSTMSHRDPOGW-VLCRHTCISA-N 0 0 454.619 3.230 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 ZINC001305626089 1068922208 /nfs/dbraw/zinc/92/22/08/1068922208.db2.gz AUCCADUCPPRBRM-FYSMJZIKSA-N 0 0 455.534 3.388 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@H](C)C1 ZINC001305626540 1068923209 /nfs/dbraw/zinc/92/32/09/1068923209.db2.gz ATOKEVUTAKNOGO-ROUUACIJSA-N 0 0 489.690 3.478 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001305626550 1068923323 /nfs/dbraw/zinc/92/33/23/1068923323.db2.gz AWNUYMPBOMDOIP-HTAPYJJXSA-N 0 0 481.601 3.342 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@](C)(CC)C1 ZINC001305626558 1068923734 /nfs/dbraw/zinc/92/37/34/1068923734.db2.gz AXJJLLKJDPDUOX-BTYIYWSLSA-N 0 0 481.439 3.356 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1 ZINC001305626613 1068923941 /nfs/dbraw/zinc/92/39/41/1068923941.db2.gz BLQSZHKECZWKHX-AWEZNQCLSA-N 0 0 460.380 3.372 20 0 JGADRN CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C(=O)OC)CC2)c1 ZINC001305626643 1068924457 /nfs/dbraw/zinc/92/44/57/1068924457.db2.gz IHQZLEOHVNTQJL-AVRDEDQJSA-N 0 0 483.613 3.138 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1SC ZINC001305627044 1068924734 /nfs/dbraw/zinc/92/47/34/1068924734.db2.gz KWWNURNDVSSHRH-QGZVFWFLSA-N 0 0 458.632 3.177 20 0 JGADRN CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)F)CC2)c1 ZINC001305627081 1068925308 /nfs/dbraw/zinc/92/53/08/1068925308.db2.gz LNANCAIYUCYLMC-RXVVDRJESA-N 0 0 490.599 3.136 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001305627383 1068925859 /nfs/dbraw/zinc/92/58/59/1068925859.db2.gz FUCNRGPMXOTVLF-BEFAXECRSA-N 0 0 491.434 3.117 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001305627655 1068926785 /nfs/dbraw/zinc/92/67/85/1068926785.db2.gz IZFDYEOQNGFQFK-OALUTQOASA-N 0 0 494.596 3.089 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001305627600 1068926841 /nfs/dbraw/zinc/92/68/41/1068926841.db2.gz INGGGOXNWRWROQ-ZWKOTPCHSA-N 0 0 490.052 3.287 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001305628942 1068930439 /nfs/dbraw/zinc/93/04/39/1068930439.db2.gz QGMOLUFEFRGIFJ-ZLIFDBKOSA-N 0 0 465.913 3.157 20 0 JGADRN CC[C@@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C)CC2)c1 ZINC001305629094 1068930691 /nfs/dbraw/zinc/93/06/91/1068930691.db2.gz VTPBIGRSLJMUAP-LJQANCHMSA-N 0 0 452.603 3.213 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001305629115 1068930825 /nfs/dbraw/zinc/93/08/25/1068930825.db2.gz LHIJUVGYHSNSSR-XLIONFOSSA-N 0 0 477.613 3.211 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305629529 1068931788 /nfs/dbraw/zinc/93/17/88/1068931788.db2.gz UDPJNGINODTYIY-RDJZCZTQSA-N 0 0 491.434 3.023 20 0 JGADRN 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CC[C@H](C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305631823 1068937030 /nfs/dbraw/zinc/93/70/30/1068937030.db2.gz RYJVELJQBJFZJO-QFBILLFUSA-N 0 0 482.050 3.307 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001305631549 1068937597 /nfs/dbraw/zinc/93/75/97/1068937597.db2.gz IXNRGRCVCHQEIB-JKSUJKDBSA-N 0 0 470.515 3.462 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](COC)C1 ZINC001305631829 1068938107 /nfs/dbraw/zinc/93/81/07/1068938107.db2.gz RZQKIMYOWCZFFY-CVEARBPZSA-N 0 0 494.434 3.494 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001305632115 1068938998 /nfs/dbraw/zinc/93/89/98/1068938998.db2.gz IHVWQNONVIMEBX-RBUKOAKNSA-N 0 0 465.602 3.439 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001305632577 1068940073 /nfs/dbraw/zinc/94/00/73/1068940073.db2.gz JKBJUJMNZRXBMA-IBGZPJMESA-N 0 0 493.656 3.483 20 0 JGADRN 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CC[C@H](C)NC(=O)CCn1c(-c2cccc3cccnc32)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001305635734 1068945673 /nfs/dbraw/zinc/94/56/73/1068945673.db2.gz YGIRHIOLGREGEB-VQTJNVASSA-N 0 0 491.640 3.491 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2cccc3cccnc32)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001305635732 1068945701 /nfs/dbraw/zinc/94/57/01/1068945701.db2.gz YGIRHIOLGREGEB-PMACEKPBSA-N 0 0 491.640 3.491 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001305635701 1068945735 /nfs/dbraw/zinc/94/57/35/1068945735.db2.gz XUIGWXQVTDBGOU-UTKZUKDTSA-N 0 0 451.575 3.334 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1ccc(C)o1 ZINC001305635530 1068945758 /nfs/dbraw/zinc/94/57/58/1068945758.db2.gz GBMFOQKZFZHVNV-MRXNPFEDSA-N 0 0 477.569 3.035 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001305636692 1068948112 /nfs/dbraw/zinc/94/81/12/1068948112.db2.gz BZSSNXRPRHLNME-PKOBYXMFSA-N 0 0 478.638 3.128 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC[C@H]1CSC ZINC001305636745 1068948195 /nfs/dbraw/zinc/94/81/95/1068948195.db2.gz JKWNDXILMQBCJX-ROUUACIJSA-N 0 0 497.669 3.312 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001305636951 1068948743 /nfs/dbraw/zinc/94/87/43/1068948743.db2.gz LWQQDMPZHWVFHZ-GTOJURISSA-N 0 0 468.627 3.327 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001305636952 1068948763 /nfs/dbraw/zinc/94/87/63/1068948763.db2.gz LWQQDMPZHWVFHZ-JSRFKQPZSA-N 0 0 468.627 3.327 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC(C)CC1 ZINC001305637201 1068949229 /nfs/dbraw/zinc/94/92/29/1068949229.db2.gz PEGPTDOMZVFVAB-GOSISDBHSA-N 0 0 465.602 3.216 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001305637278 1068949243 /nfs/dbraw/zinc/94/92/43/1068949243.db2.gz GFJWCWPHMMPWIG-KSFYIVLOSA-N 0 0 481.601 3.082 20 0 JGADRN 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COCCO[C@@H]1CCN(c2nc(CN3CCCC3)nc3sc(C)c(C)c32)[C@@H]1Cc1cnn(C)c1 ZINC001164999380 722224779 /nfs/dbraw/zinc/22/47/79/722224779.db2.gz MJRNTZAPKQHWST-NHCUHLMSSA-N 0 0 484.670 3.490 20 0 JGADRN COCCO[C@@H]1CCN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)[C@@H]1Cc1cnn(C)c1 ZINC001165000460 722225435 /nfs/dbraw/zinc/22/54/35/722225435.db2.gz SCFKITVEBNVTGC-HUUCEWRRSA-N 0 0 451.301 3.400 20 0 JGADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)n1 ZINC001164998877 722226136 /nfs/dbraw/zinc/22/61/36/722226136.db2.gz FXWRGHCIMQXYCY-HNNXBMFYSA-N 0 0 467.952 3.489 20 0 JGADRN CCOC(=O)c1cnc(C(F)(F)N2CCOC[C@H]2c2nccc(N(CC)CC)n2)nc1Cl ZINC001164998671 722226197 /nfs/dbraw/zinc/22/61/97/722226197.db2.gz CZXBBVWUSCKWPN-AWEZNQCLSA-N 0 0 470.908 3.066 20 0 JGADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)cc2C(=O)OC)n1 ZINC001165000035 722226341 /nfs/dbraw/zinc/22/63/41/722226341.db2.gz PGACGWYIIGZHKF-HNNXBMFYSA-N 0 0 455.893 3.281 20 0 JGADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3cnc(CNC(C)=O)c3C2)n1 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O=C(NCCO[C@@H]1CCCCO1)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001298689240 1064485119 /nfs/dbraw/zinc/48/51/19/1064485119.db2.gz HDIFHSRNGGYXPQ-ZWKOTPCHSA-N 0 0 455.349 3.210 20 0 JGADRN CN(CCCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1Cc1nc2cc(Cl)ccc2s1 ZINC001298689659 1064485956 /nfs/dbraw/zinc/48/59/56/1064485956.db2.gz DTOPUHNXPQOYDS-UHFFFAOYSA-N 0 0 491.042 3.446 20 0 JGADRN CN(CCCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1Cc1nnc(C(C)(C)C)s1 ZINC001298689729 1064486567 /nfs/dbraw/zinc/48/65/67/1064486567.db2.gz FVVBBFLJDABQBJ-UHFFFAOYSA-N 0 0 480.635 3.076 20 0 JGADRN CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 ZINC001298690090 1064486824 /nfs/dbraw/zinc/48/68/24/1064486824.db2.gz JZEANNOFHLFNDB-GHTZIAJQSA-N 0 0 468.023 3.070 20 0 JGADRN CN(CCCOc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001298690526 1064487534 /nfs/dbraw/zinc/48/75/34/1064487534.db2.gz YVEWDAWIJBBVTG-FQEVSTJZSA-N 0 0 476.643 3.435 20 0 JGADRN CN(CCCOc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001298690529 1064487611 /nfs/dbraw/zinc/48/76/11/1064487611.db2.gz YVEWDAWIJBBVTG-HXUWFJFHSA-N 0 0 476.643 3.435 20 0 JGADRN CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1-n1cccn1 ZINC001298690123 1064487678 /nfs/dbraw/zinc/48/76/78/1064487678.db2.gz LBYDJZUCZKOQBK-UHFFFAOYSA-N 0 0 486.001 3.098 20 0 JGADRN CN(CCCOc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1 ZINC001298690840 1064488405 /nfs/dbraw/zinc/48/84/05/1064488405.db2.gz ZVEZCOPRKJNTSX-QUCCMNQESA-N 0 0 464.657 3.371 20 0 JGADRN CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001298691172 1064489271 /nfs/dbraw/zinc/48/92/71/1064489271.db2.gz MHIJBYLRCQHLRT-MOPGFXCFSA-N 0 0 499.678 3.038 20 0 JGADRN CN(CCCS(C)(=O)=O)c1nnc(-c2cccnc2)n1CCNc1ncc(Cl)cc1Cl ZINC001298691535 1064490953 /nfs/dbraw/zinc/49/09/53/1064490953.db2.gz LAVZFPJZILQMQN-UHFFFAOYSA-N 0 0 484.413 3.025 20 0 JGADRN CN(CCCS(C)(=O)=O)c1nnc(-c2ccccn2)n1CCc1nc(C(C)(C)C)cs1 ZINC001298693088 1064493700 /nfs/dbraw/zinc/49/37/00/1064493700.db2.gz ZHSRLBPROUFFHS-UHFFFAOYSA-N 0 0 462.645 3.208 20 0 JGADRN CN(C)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCCS(C)(=O)=O)c1ccccc1Cl ZINC001298693097 1064493722 /nfs/dbraw/zinc/49/37/22/1064493722.db2.gz ZUTFQCABGOWEMW-FQEVSTJZSA-N 0 0 479.050 3.111 20 0 JGADRN CN(CCCS(C)(=O)=O)c1nnc(-c2ccccn2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001298693044 1064493867 /nfs/dbraw/zinc/49/38/67/1064493867.db2.gz YGBKESFUIOARGD-IFMALSPDSA-N 0 0 469.611 3.379 20 0 JGADRN CN(CCN(C)c1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1cccs1 ZINC001298695990 1064494724 /nfs/dbraw/zinc/49/47/24/1064494724.db2.gz IJOJDISTULDJSV-VWLOTQADSA-N 0 0 491.621 3.467 20 0 JGADRN CN(CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC001298696825 1064496284 /nfs/dbraw/zinc/49/62/84/1064496284.db2.gz BMEVRTLPHSEYRT-GOSISDBHSA-N 0 0 473.574 3.198 20 0 JGADRN CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1)CC(F)(F)F ZINC001298697841 1064500339 /nfs/dbraw/zinc/50/03/39/1064500339.db2.gz KAZSSHKHGMMLPH-ROUUACIJSA-N 0 0 495.550 3.063 20 0 JGADRN CN(CCn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)CC1)C(=O)OC(C)(C)C ZINC001298698135 1064501174 /nfs/dbraw/zinc/50/11/74/1064501174.db2.gz ODWOZBPTOGEENO-UHFFFAOYSA-N 0 0 498.447 3.143 20 0 JGADRN CN(CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc2ccccc2[nH]1)C(=O)OC(C)(C)C ZINC001298697919 1064501207 /nfs/dbraw/zinc/50/12/07/1064501207.db2.gz LRCDRJYDONMMNY-UHFFFAOYSA-N 0 0 481.601 3.499 20 0 JGADRN CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCCC2)C1)CC(F)(F)F ZINC001298698144 1064501297 /nfs/dbraw/zinc/50/12/97/1064501297.db2.gz OIEIZQHTMFTELV-UHFFFAOYSA-N 0 0 451.497 3.190 20 0 JGADRN CN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1nccs1)CC(F)(F)F ZINC001298698643 1064501776 /nfs/dbraw/zinc/50/17/76/1064501776.db2.gz WKJZTFOYMIGSQR-UHFFFAOYSA-N 0 0 454.478 3.261 20 0 JGADRN CN(CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCOC(C)(C)C1)CC(F)(F)F ZINC001298698496 1064502125 /nfs/dbraw/zinc/50/21/25/1064502125.db2.gz RDQINLYNFPRLNZ-UHFFFAOYSA-N 0 0 463.508 3.445 20 0 JGADRN CN(CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccon1)CC(F)(F)F ZINC001298698878 1064502353 /nfs/dbraw/zinc/50/23/53/1064502353.db2.gz SCLHKYFVMVJIOS-UHFFFAOYSA-N 0 0 462.274 3.154 20 0 JGADRN O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001298698970 1064502623 /nfs/dbraw/zinc/50/26/23/1064502623.db2.gz FVWTWDFLWZGQFU-UHFFFAOYSA-N 0 0 450.973 3.108 20 0 JGADRN CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(F)cc2C1)C(=O)OC(C)(C)C ZINC001298698925 1064502653 /nfs/dbraw/zinc/50/26/53/1064502653.db2.gz UIMVHWSIIVWKIS-UHFFFAOYSA-N 0 0 472.565 3.083 20 0 JGADRN O=C(Cc1c[nH]c2cccc(Br)c12)N(CCN1CCOCC1)[C@H]1CCSC1 ZINC001298699454 1064502851 /nfs/dbraw/zinc/50/28/51/1064502851.db2.gz JGDUSCKIVDOBFQ-INIZCTEOSA-N 0 0 452.418 3.139 20 0 JGADRN O=C(c1cc2cccc(C(F)(F)F)c2[nH]c1=O)N(CCN1CCOCC1)[C@@H]1CCSC1 ZINC001298699706 1064502998 /nfs/dbraw/zinc/50/29/98/1064502998.db2.gz NIBLTAUBXXMVRU-OAHLLOKOSA-N 0 0 455.502 3.239 20 0 JGADRN CN(CCN(C)c1ccccc1)c1nnc(-c2cnccn2)n1CCCN1CCCCCC1=O ZINC001298700337 1064503496 /nfs/dbraw/zinc/50/34/96/1064503496.db2.gz HUTWWPMLIGDPFM-UHFFFAOYSA-N 0 0 462.602 3.100 20 0 JGADRN CN(CCN(C)c1ccccc1)c1nnc(C2CCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001298700357 1064504007 /nfs/dbraw/zinc/50/40/07/1064504007.db2.gz ICRASUKVQYGHIK-HXUWFJFHSA-N 0 0 466.552 3.381 20 0 JGADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(CCN1CCOCC1)[C@H]1CCSC1 ZINC001298701033 1064504022 /nfs/dbraw/zinc/50/40/22/1064504022.db2.gz WJORKCDZADCKHQ-RDJZCZTQSA-N 0 0 459.425 3.433 20 0 JGADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 ZINC001298701031 1064504051 /nfs/dbraw/zinc/50/40/51/1064504051.db2.gz WJORKCDZADCKHQ-DOTOQJQBSA-N 0 0 459.425 3.433 20 0 JGADRN CN(CCN(C)c1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCCO1 ZINC001298701168 1064504159 /nfs/dbraw/zinc/50/41/59/1064504159.db2.gz QAJBLIZJWWYSOC-IFMALSPDSA-N 0 0 475.659 3.102 20 0 JGADRN CN(CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(F)(F)C1)CC(F)(F)F ZINC001298704198 1064506271 /nfs/dbraw/zinc/50/62/71/1064506271.db2.gz KLEVHFCFIZILQW-UHFFFAOYSA-N 0 0 455.435 3.470 20 0 JGADRN CN(CCn1c(-c2cnccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C(=O)OC(C)(C)C ZINC001298704222 1064506513 /nfs/dbraw/zinc/50/65/13/1064506513.db2.gz LIXRPYKYXNEHJM-OAQYLSRUSA-N 0 0 499.538 3.132 20 0 JGADRN CN(CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2ccc(O)cc2)CC1)CC(F)(F)F ZINC001298704185 1064506528 /nfs/dbraw/zinc/50/65/28/1064506528.db2.gz KEWUYGNUNIWFIR-UHFFFAOYSA-N 0 0 463.508 3.262 20 0 JGADRN CN(CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccsc2)CC1)C(=O)OC(C)(C)C ZINC001298704430 1064507128 /nfs/dbraw/zinc/50/71/28/1064507128.db2.gz PHTYTYWHNHHKNF-UHFFFAOYSA-N 0 0 497.625 3.231 20 0 JGADRN CN(CCn1c(-c2cccnc2)nnc1N1CCSC2(CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298704633 1064508176 /nfs/dbraw/zinc/50/81/76/1064508176.db2.gz TYMNPSVIBLGXBR-UHFFFAOYSA-N 0 0 474.631 3.309 20 0 JGADRN Cc1oc(S(N)(=O)=O)cc1C(=O)Nc1cc(C)c(F)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC001298704764 1064508763 /nfs/dbraw/zinc/50/87/63/1064508763.db2.gz BKKUWCOUMILIJG-ZDUSSCGKSA-N 0 0 459.499 3.426 20 0 JGADRN CN(CCn1c(-c2cccn2C)nnc1N(C)C[C@@H]1COc2ccccc2O1)C(=O)OC(C)(C)C ZINC001298704838 1064508790 /nfs/dbraw/zinc/50/87/90/1064508790.db2.gz MLEGEOJYSMDXPF-GOSISDBHSA-N 0 0 482.585 3.427 20 0 JGADRN CN(CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)CC(F)(F)F ZINC001298704981 1064509592 /nfs/dbraw/zinc/50/95/92/1064509592.db2.gz PRGZMSSBWRWSQP-KRWDZBQOSA-N 0 0 499.582 3.471 20 0 JGADRN CN(CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1)C(=O)OC(C)(C)C ZINC001298705502 1064509998 /nfs/dbraw/zinc/50/99/98/1064509998.db2.gz WHSPGEGUHUEUBO-UHFFFAOYSA-N 0 0 479.585 3.239 20 0 JGADRN CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC001298706259 1064512337 /nfs/dbraw/zinc/51/23/37/1064512337.db2.gz SHWJEFHZLFHRER-SFHVURJKSA-N 0 0 477.009 3.428 20 0 JGADRN CN(CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2Cl)C1)CC(F)(F)F ZINC001298706413 1064512545 /nfs/dbraw/zinc/51/25/45/1064512545.db2.gz UHGCMZMFUCZCGM-SFHVURJKSA-N 0 0 481.910 3.461 20 0 JGADRN CN(CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCCCCC1)CC(F)(F)F ZINC001298706731 1064512841 /nfs/dbraw/zinc/51/28/41/1064512841.db2.gz YESOKGNLAYLZIZ-UHFFFAOYSA-N 0 0 477.535 3.457 20 0 JGADRN CN(CCn1c([C@H]2CCCCO2)nnc1N(CCO)CCc1ccccc1)C(=O)OC(C)(C)C ZINC001298708097 1064513802 /nfs/dbraw/zinc/51/38/02/1064513802.db2.gz IRDGYZKHAOXUJE-OAQYLSRUSA-N 0 0 473.618 3.428 20 0 JGADRN O=C(Nc1ncc(-c2ccc(Br)cc2)s1)c1cc(N2CCNC(=O)C2)ccn1 ZINC001298708489 1064514691 /nfs/dbraw/zinc/51/46/91/1064514691.db2.gz FPTSJBBHIFOUDO-UHFFFAOYSA-N 0 0 458.341 3.156 20 0 JGADRN CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001298708591 1064514721 /nfs/dbraw/zinc/51/47/21/1064514721.db2.gz MQIKCPPVVPTFST-WOJBJXKFSA-N 0 0 493.649 3.061 20 0 JGADRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC001298709049 1064515082 /nfs/dbraw/zinc/51/50/82/1064515082.db2.gz LTKIPQRVIPHTLC-CABCVRRESA-N 0 0 454.596 3.456 20 0 JGADRN CN(CCn1c(C2CCC2)nnc1N1CCN(c2cccc(O)c2)CC1)C(=O)OC(C)(C)C ZINC001298708775 1064515245 /nfs/dbraw/zinc/51/52/45/1064515245.db2.gz OVGFPBXTTDTTAT-UHFFFAOYSA-N 0 0 456.591 3.445 20 0 JGADRN O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1cccn2c(I)cnc12 ZINC001298710000 1064515867 /nfs/dbraw/zinc/51/58/67/1064515867.db2.gz RZHBTQDFRMUKGU-AWEZNQCLSA-N 0 0 455.683 3.446 20 0 JGADRN CN(CCn1c(CC2CC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001298711555 1064516768 /nfs/dbraw/zinc/51/67/68/1064516768.db2.gz CSYYRSHZMBSHFE-IBGZPJMESA-N 0 0 463.623 3.119 20 0 JGADRN CN(CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2F)CC1)CC(F)(F)F ZINC001298711780 1064517508 /nfs/dbraw/zinc/51/75/08/1064517508.db2.gz CPBITKHVOUGHSS-UHFFFAOYSA-N 0 0 495.500 3.363 20 0 JGADRN CN(C)c1nccc2c1CCN(c1nnc(Cc3ccncc3)n1CCN(C)C(=O)OC(C)(C)C)C2 ZINC001298711946 1064518111 /nfs/dbraw/zinc/51/81/11/1064518111.db2.gz JRNLXNJHSGOFHS-UHFFFAOYSA-N 0 0 492.628 3.155 20 0 JGADRN CN(CCn1c(Cc2ccncc2)nnc1N1C[C@H](O)CC2(CCCC2)C1)C(=O)OC(C)(C)C ZINC001298712156 1064518732 /nfs/dbraw/zinc/51/87/32/1064518732.db2.gz LNCORABXCLPGGT-HXUWFJFHSA-N 0 0 470.618 3.262 20 0 JGADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N2CC[C@](CO)(C(C)C)C2)C1 ZINC001298712656 1064520235 /nfs/dbraw/zinc/52/02/35/1064520235.db2.gz FSKRWADGHXDUMX-JTSKRJEESA-N 0 0 451.405 3.477 20 0 JGADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC001298713824 1064521873 /nfs/dbraw/zinc/52/18/73/1064521873.db2.gz UZAZVAPMYUECLI-YLJYHZDGSA-N 0 0 452.370 3.057 20 0 JGADRN CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Cc1ccccc1 ZINC001298713929 1064522496 /nfs/dbraw/zinc/52/24/96/1064522496.db2.gz IHDDTVBOOBEKTD-VXKWHMMOSA-N 0 0 489.686 3.096 20 0 JGADRN CN(CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC1COC(C)(C)OC1)CC(F)(F)F ZINC001298714202 1064523114 /nfs/dbraw/zinc/52/31/14/1064523114.db2.gz KOFMNOAEDRUWTL-IBGZPJMESA-N 0 0 499.534 3.120 20 0 JGADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)c2)cc1 ZINC001298716176 1064525757 /nfs/dbraw/zinc/52/57/57/1064525757.db2.gz GBTSRWITLRESFY-LJQANCHMSA-N 0 0 455.580 3.189 20 0 JGADRN CN(CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccccc1 ZINC001298717174 1064526843 /nfs/dbraw/zinc/52/68/43/1064526843.db2.gz JQYKVITXHFHMBN-IBGZPJMESA-N 0 0 480.535 3.085 20 0 JGADRN CN(CCn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cnccn1)C(=O)OC(C)(C)C ZINC001298717740 1064527936 /nfs/dbraw/zinc/52/79/36/1064527936.db2.gz QPEPNFGYDSLURZ-UHFFFAOYSA-N 0 0 471.537 3.290 20 0 JGADRN CN(CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1Cc1ccccc1)C(=O)OC(C)(C)C ZINC001298717681 1064528289 /nfs/dbraw/zinc/52/82/89/1064528289.db2.gz POYPVOIQAZSUGX-NRFANRHFSA-N 0 0 482.629 3.479 20 0 JGADRN CN(CCn1c(CCc2ccccc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)CC(F)(F)F ZINC001298718149 1064528793 /nfs/dbraw/zinc/52/87/93/1064528793.db2.gz WNGIMVKGVBSEBU-PMSBKCLSSA-N 0 0 451.537 3.155 20 0 JGADRN CN(CCn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C)CC(F)(F)F ZINC001298719116 1064529496 /nfs/dbraw/zinc/52/94/96/1064529496.db2.gz GBXGBIOHMYVAFC-UHFFFAOYSA-N 0 0 466.552 3.422 20 0 JGADRN CN(CCn1c([C@H]2CCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001298719466 1064529534 /nfs/dbraw/zinc/52/95/34/1064529534.db2.gz BFVHOQVKHZYGPQ-HXUWFJFHSA-N 0 0 498.628 3.020 20 0 JGADRN CN(CCn1cccn1)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCCCCC1 ZINC001298720699 1064531722 /nfs/dbraw/zinc/53/17/22/1064531722.db2.gz SJGOZMKUTIBIJU-UHFFFAOYSA-N 0 0 462.396 3.454 20 0 JGADRN CN(CCn1cccn1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001298720255 1064531785 /nfs/dbraw/zinc/53/17/85/1064531785.db2.gz ONUCNVISDFEHSZ-IRXDYDNUSA-N 0 0 453.513 3.216 20 0 JGADRN CN(CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001298721115 1064532284 /nfs/dbraw/zinc/53/22/84/1064532284.db2.gz VVMXJXDWFOLSPT-IAGOWNOFSA-N 0 0 480.610 3.100 20 0 JGADRN CN(CCn1cccn1)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1ccco1 ZINC001298723180 1064533436 /nfs/dbraw/zinc/53/34/36/1064533436.db2.gz WHCXRCACAWHVAT-UHFFFAOYSA-N 0 0 490.387 3.125 20 0 JGADRN CN(CCn1cccn1)c1nnc(-c2ccc3ccccc3n2)n1CCNC(=O)OC(C)(C)C ZINC001298723049 1064533596 /nfs/dbraw/zinc/53/35/96/1064533596.db2.gz UNHQRSZSTUROMV-UHFFFAOYSA-N 0 0 462.558 3.351 20 0 JGADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c1 ZINC001298723921 1064534082 /nfs/dbraw/zinc/53/40/82/1064534082.db2.gz OVNRTHFYDWLYMF-HNNXBMFYSA-N 0 0 459.584 3.326 20 0 JGADRN CN(CCn1cccn1)c1nnc(Cc2ccccn2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001298724971 1064534221 /nfs/dbraw/zinc/53/42/21/1064534221.db2.gz KEOGMAQUNRTCBN-HXUWFJFHSA-N 0 0 480.617 3.244 20 0 JGADRN CN(CCn1cccn1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1CCOC1 ZINC001298725163 1064534839 /nfs/dbraw/zinc/53/48/39/1064534839.db2.gz ORQLBMNURQDIHI-VQTJNVASSA-N 0 0 473.622 3.152 20 0 JGADRN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)c1nccn1-c1ccccc1 ZINC001298727031 1064535340 /nfs/dbraw/zinc/53/53/40/1064535340.db2.gz KSDKSKORKRXQOF-YLJYHZDGSA-N 0 0 458.609 3.150 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1CC1CCCCC1 ZINC001298727185 1064536078 /nfs/dbraw/zinc/53/60/78/1064536078.db2.gz CQTYXUUJHOSBBH-UHFFFAOYSA-N 0 0 455.607 3.053 20 0 JGADRN CN(C(=O)c1cc(F)c(F)cc1I)C1CN(C(=O)OC(C)(C)C)C1 ZINC001298727460 1064537341 /nfs/dbraw/zinc/53/73/41/1064537341.db2.gz QQONEPWLQAXLLI-UHFFFAOYSA-N 0 0 452.239 3.261 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001298727920 1064537887 /nfs/dbraw/zinc/53/78/87/1064537887.db2.gz KRHIBXXSOZZPEV-IBGZPJMESA-N 0 0 487.649 3.220 20 0 JGADRN CN(CCn1cccn1)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cn[nH]c1 ZINC001298728041 1064539066 /nfs/dbraw/zinc/53/90/66/1064539066.db2.gz LKEOGZMUJMUFBL-UHFFFAOYSA-N 0 0 461.357 3.463 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001298728231 1064539852 /nfs/dbraw/zinc/53/98/52/1064539852.db2.gz NYJYQVUIRIUPFC-VWLOTQADSA-N 0 0 485.032 3.448 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cn1 ZINC001298728311 1064540094 /nfs/dbraw/zinc/54/00/94/1064540094.db2.gz QGRFBWOZLDNKDW-UHFFFAOYSA-N 0 0 451.015 3.250 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1Cc1cccc(Br)n1 ZINC001298728373 1064540586 /nfs/dbraw/zinc/54/05/86/1064540586.db2.gz SBAHZFCAYGZNEQ-UHFFFAOYSA-N 0 0 486.418 3.093 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CCCOc1ccccc1 ZINC001298728539 1064541157 /nfs/dbraw/zinc/54/11/57/1064541157.db2.gz WIIDPAAMRBBJLL-UHFFFAOYSA-N 0 0 450.587 3.356 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)(F)F ZINC001298729040 1064543095 /nfs/dbraw/zinc/54/30/95/1064543095.db2.gz FGWVDFNZNLWYAY-UHFFFAOYSA-N 0 0 492.619 3.044 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001298730003 1064544311 /nfs/dbraw/zinc/54/43/11/1064544311.db2.gz PHKDZMJMOZBEKI-GOSISDBHSA-N 0 0 474.616 3.298 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1Cc1ccsc1Br ZINC001298730402 1064545759 /nfs/dbraw/zinc/54/57/59/1064545759.db2.gz YVFHZVYKDILNDO-MRXNPFEDSA-N 0 0 484.464 3.201 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(Cc2cn3ccccc3n2)n1CCCC(F)(F)F ZINC001298730409 1064546118 /nfs/dbraw/zinc/54/61/18/1064546118.db2.gz ZABXQMIKGHRGEY-UHFFFAOYSA-N 0 0 479.551 3.406 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(C2CCC2)n1CCCNC(=O)OC(C)(C)C ZINC001298730438 1064546160 /nfs/dbraw/zinc/54/61/60/1064546160.db2.gz ZQTJVWGCANSFNQ-UHFFFAOYSA-N 0 0 450.628 3.007 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001298730439 1064546388 /nfs/dbraw/zinc/54/63/88/1064546388.db2.gz ZRBHGWYMHRJLSP-IBGZPJMESA-N 0 0 463.573 3.489 20 0 JGADRN O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001298731546 1064546951 /nfs/dbraw/zinc/54/69/51/1064546951.db2.gz LARKRVOCOHTJEQ-AOMKIAJQSA-N 0 0 456.340 3.131 20 0 JGADRN CN(CCN1CCOCC1)c1nnc(-c2cccc(Br)c2)n1CCCOC(F)(F)F ZINC001298733061 1064548558 /nfs/dbraw/zinc/54/85/58/1064548558.db2.gz IUPVSNUMNWYCQY-UHFFFAOYSA-N 0 0 492.340 3.403 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001298734104 1064549611 /nfs/dbraw/zinc/54/96/11/1064549611.db2.gz YHDDCUBVCXZEOX-TZIWHRDSSA-N 0 0 475.609 3.094 20 0 JGADRN CN(CCN1CCOCC1)c1nnc(C(C)(C)C)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001298734108 1064549716 /nfs/dbraw/zinc/54/97/16/1064549716.db2.gz YJYMWRLLOHIFEF-UHFFFAOYSA-N 0 0 455.525 3.485 20 0 JGADRN CN(CCN1CCOC(C)(C)C1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001298734045 1064549808 /nfs/dbraw/zinc/54/98/08/1064549808.db2.gz WPODOBXKTQSOIH-INDMIFKZSA-N 0 0 480.629 3.126 20 0 JGADRN CN(CCN1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccoc1 ZINC001298736117 1064550877 /nfs/dbraw/zinc/55/08/77/1064550877.db2.gz AYFIFMWYNNNBHI-UHFFFAOYSA-N 0 0 464.339 3.256 20 0 JGADRN CN(CCN1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1CCC1CCOCC1 ZINC001298736213 1064550982 /nfs/dbraw/zinc/55/09/82/1064550982.db2.gz DDMFHHYMLXTILI-UHFFFAOYSA-N 0 0 496.425 3.432 20 0 JGADRN CN(CCN1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001298736867 1064551302 /nfs/dbraw/zinc/55/13/02/1064551302.db2.gz LNFQMJCPEZVLTM-IBGZPJMESA-N 0 0 488.608 3.252 20 0 JGADRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC001298736976 1064551338 /nfs/dbraw/zinc/55/13/38/1064551338.db2.gz VKIKLRJLTGHMQG-MDZRGWNJSA-N 0 0 459.008 3.089 20 0 JGADRN CN(CCN1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N(C)C1CCCCC1 ZINC001298737448 1064552451 /nfs/dbraw/zinc/55/24/51/1064552451.db2.gz UONVNFPGYGVXEB-UHFFFAOYSA-N 0 0 475.037 3.158 20 0 JGADRN Cc1oc(C(=O)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)cc1S(C)(=O)=O ZINC001298738701 1064553523 /nfs/dbraw/zinc/55/35/23/1064553523.db2.gz YVGQKHXBQVSOCX-KSSFIOAISA-N 0 0 456.358 3.340 20 0 JGADRN CN(CCN1CCOCC1)c1nnc(Cc2ccsc2)n1Cc1ccccc1OC(F)F ZINC001298739122 1064554090 /nfs/dbraw/zinc/55/40/90/1064554090.db2.gz ZITXTZUGIMRBKX-UHFFFAOYSA-N 0 0 463.554 3.349 20 0 JGADRN CN(CCN1CCOCC1)c1nnc([C@H]2CCCOC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001298739110 1064554507 /nfs/dbraw/zinc/55/45/07/1064554507.db2.gz YZCCZTNASALDLH-PWRODBHTSA-N 0 0 463.667 3.170 20 0 JGADRN CN(CCN1CCOCC1)c1nnc([C@H]2CCCCO2)n1Cc1cc(Br)cs1 ZINC001298738929 1064554577 /nfs/dbraw/zinc/55/45/77/1064554577.db2.gz RWGUWSCSGFBSAJ-QGZVFWFLSA-N 0 0 470.437 3.160 20 0 JGADRN CN(CCN1CCOCC1)c1nnc(CCCc2ccccc2)n1C[C@H]1CSCCS1 ZINC001298740495 1064555203 /nfs/dbraw/zinc/55/52/03/1064555203.db2.gz KSBZJPUTOWOXFO-NRFANRHFSA-N 0 0 461.701 3.070 20 0 JGADRN CN(CCN1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCCO1 ZINC001298740861 1064555503 /nfs/dbraw/zinc/55/55/03/1064555503.db2.gz WRSDWNHTGQPECX-SANMLTNESA-N 0 0 471.646 3.492 20 0 JGADRN CN(CCNS(C)(=O)=O)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC=CCC1 ZINC001298741953 1064556318 /nfs/dbraw/zinc/55/63/18/1064556318.db2.gz DIVRNSXCCMKKTE-OAHLLOKOSA-N 0 0 468.421 3.049 20 0 JGADRN CN(CCN1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCCCO1 ZINC001298740882 1064556592 /nfs/dbraw/zinc/55/65/92/1064556592.db2.gz XDJNSMXJGSCUGC-SFTDATJTSA-N 0 0 492.665 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COc1cc(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@@](C)(O)C2CC2)ccc1OC(C)C ZINC001299851832 1065057572 /nfs/dbraw/zinc/05/75/72/1065057572.db2.gz ZDSPDPKWBAAZGV-AFMDSPMNSA-N 0 0 485.629 3.254 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](CNC(C)=O)C3)n2C[C@](C)(O)C2CC2)ccc1OC(C)C ZINC001299851833 1065057640 /nfs/dbraw/zinc/05/76/40/1065057640.db2.gz ZDSPDPKWBAAZGV-BCHFMIIMSA-N 0 0 485.629 3.254 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](NC(C)=O)C3)n2C[C@H]2CCCSC2)cc(OC)c1OC ZINC001299851864 1065057666 /nfs/dbraw/zinc/05/76/66/1065057666.db2.gz ZQJMTDAIGNKAFI-MJGOQNOKSA-N 0 0 489.642 3.219 20 0 JGADRN O=C(N[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1nccn2c(Br)cnc12 ZINC001299852461 1065058568 /nfs/dbraw/zinc/05/85/68/1065058568.db2.gz IWEYUKDVQSXROI-GFCCVEGCSA-N 0 0 459.222 3.244 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCc2cn[nH]c2)cc(OC)c1OC ZINC001299852752 1065059029 /nfs/dbraw/zinc/05/90/29/1065059029.db2.gz JQAHKDMBDGZJEB-OAHLLOKOSA-N 0 0 462.501 3.418 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(=O)N(C)C)ccc1OC(C)C ZINC001299853102 1065059462 /nfs/dbraw/zinc/05/94/62/1065059462.db2.gz NCLCBOPLXKMZNX-MRXNPFEDSA-N 0 0 451.518 3.311 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@]2(C)COCCO2)cc(OC)c1OC ZINC001299853911 1065060855 /nfs/dbraw/zinc/06/08/55/1065060855.db2.gz XALLTJVXWVUQTP-WNSKOXEYSA-N 0 0 482.528 3.258 20 0 JGADRN O=C(N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001299853854 1065060904 /nfs/dbraw/zinc/06/09/04/1065060904.db2.gz YSCPSQIRSREBLK-DYVFJYSZSA-N 0 0 458.383 3.456 20 0 JGADRN COc1cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](SC)C(C)(C)C)cc(OC)c1OC ZINC001299853749 1065060942 /nfs/dbraw/zinc/06/09/42/1065060942.db2.gz VWFMBQLUXJBKDX-HNAYVOBHSA-N 0 0 491.658 3.450 20 0 JGADRN COc1cc(-c2nnc(N3CCCC[C@@H](C)C3)n2C[C@@]2(OC)CCOC2)cc(OC)c1OC ZINC001299854186 1065061253 /nfs/dbraw/zinc/06/12/53/1065061253.db2.gz BJUZZRKXGYXANB-OSPHWJPCSA-N 0 0 460.575 3.403 20 0 JGADRN COc1cc(-c2nnc(N3CCCC[C@H](C)C3)n2C[C@@]2(OC)CCOC2)cc(OC)c1OC ZINC001299854187 1065061429 /nfs/dbraw/zinc/06/14/29/1065061429.db2.gz BJUZZRKXGYXANB-XDHUDOTRSA-N 0 0 460.575 3.403 20 0 JGADRN CN1CCN(Cc2ccc(C(=O)N[C@H](CCO)c3cccc(OC(F)(F)F)c3)s2)CC1 ZINC001299854362 1065061866 /nfs/dbraw/zinc/06/18/66/1065061866.db2.gz BDIRMUXNJSIBGM-GOSISDBHSA-N 0 0 457.518 3.248 20 0 JGADRN COc1cc(-c2nnc(N3CCCC[C@H](SC)C3)n2CC[C@H]2COCCO2)cc(OC)c1OC ZINC001299855202 1065064028 /nfs/dbraw/zinc/06/40/28/1065064028.db2.gz SUMKBSFPBXTQLL-OALUTQOASA-N 0 0 492.642 3.498 20 0 JGADRN COc1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCCC(C)C)ccc1OC(C)C ZINC001299856845 1065065375 /nfs/dbraw/zinc/06/53/75/1065065375.db2.gz GOJGMLJVKVQWMY-UHFFFAOYSA-N 0 0 479.647 3.259 20 0 JGADRN O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H](C1CCC1)C1CCCCC1 ZINC001299857021 1065066093 /nfs/dbraw/zinc/06/60/93/1065066093.db2.gz UNOBHPPLVFHGTH-HSZRJFAPSA-N 0 0 450.601 3.382 20 0 JGADRN COc1cc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CCCO2)ccc1OC(C)C ZINC001299857693 1065068020 /nfs/dbraw/zinc/06/80/20/1065068020.db2.gz WHTNRMXTJDASJT-GOSISDBHSA-N 0 0 465.545 3.307 20 0 JGADRN COc1cc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2CCCOC2)cc(OC)c1OC ZINC001299857839 1065068458 /nfs/dbraw/zinc/06/84/58/1065068458.db2.gz ZYYVKTULCFDDNA-RDTXWAMCSA-N 0 0 486.491 3.165 20 0 JGADRN COc1cc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H]2CCCOC2)cc(OC)c1OC ZINC001299857836 1065068478 /nfs/dbraw/zinc/06/84/78/1065068478.db2.gz ZYYVKTULCFDDNA-KBXCAEBGSA-N 0 0 486.491 3.165 20 0 JGADRN COc1cc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC2=CCCCC2)cc(OC)c1OC ZINC001299858066 1065069601 /nfs/dbraw/zinc/06/96/01/1065069601.db2.gz IEDIQQCRPJCKBX-MRXNPFEDSA-N 0 0 455.559 3.138 20 0 JGADRN COc1cc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2C[C@H]2CC=CCO2)ccc1OC(C)C ZINC001299858112 1065069931 /nfs/dbraw/zinc/06/99/31/1065069931.db2.gz JJOUAEMUTXNDAW-WIYYLYMNSA-N 0 0 469.586 3.143 20 0 JGADRN COc1cc(-c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2Cc2csc(C)c2)cc(OC)c1OC ZINC001299858446 1065070455 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BENVTJCUHWMJHS-XMMPIXPASA-N 0 0 494.658 3.163 20 0 JGADRN COc1cc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCS(C)(=O)=O)ccc1OC(C)C ZINC001299859674 1065073407 /nfs/dbraw/zinc/07/34/07/1065073407.db2.gz HLTVLPRKKLKERD-KRWDZBQOSA-N 0 0 480.631 3.179 20 0 JGADRN Cc1ccc(-n2cnnc2SCC(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1C ZINC001299859774 1065073626 /nfs/dbraw/zinc/07/36/26/1065073626.db2.gz CVUGAJKSJJEZEU-MRXNPFEDSA-N 0 0 455.506 3.036 20 0 JGADRN COc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2CC2(SC)CCOCC2)cc(OC)c1OC ZINC001299859737 1065073658 /nfs/dbraw/zinc/07/36/58/1065073658.db2.gz IQIZTFZYDMYWRC-INIZCTEOSA-N 0 0 478.615 3.108 20 0 JGADRN COc1cc(-c2nnc(N3CCS(=O)CC3)n2CCOC(C)(C)C)ccc1OC(C)C ZINC001299860201 1065074549 /nfs/dbraw/zinc/07/45/49/1065074549.db2.gz PIVKCJAEXBEGNJ-UHFFFAOYSA-N 0 0 450.605 3.125 20 0 JGADRN O=C(NC[C@H]1CCCCN1C(=O)C(F)(F)F)c1ccc(-n2cc(Br)cn2)cc1 ZINC001299860458 1065075620 /nfs/dbraw/zinc/07/56/20/1065075620.db2.gz LFKAZQNWHBPGRG-OAHLLOKOSA-N 0 0 459.266 3.308 20 0 JGADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F ZINC001299861092 1065076818 /nfs/dbraw/zinc/07/68/18/1065076818.db2.gz SLQYGGOANYICNQ-WDEREUQCSA-N 0 0 454.276 3.171 20 0 JGADRN COc1cc(-c2nnc(N3CCS[C@H](C)C3)n2CCNC(=O)C(C)C)ccc1OC(C)C ZINC001299861314 1065077406 /nfs/dbraw/zinc/07/74/06/1065077406.db2.gz DFNSTPAOGGFBQI-QGZVFWFLSA-N 0 0 461.632 3.455 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2Cc2cccnc2OC)ccc1OC(C)C ZINC001299861544 1065077712 /nfs/dbraw/zinc/07/77/12/1065077712.db2.gz IHDJZFVXPYAXOT-XLIONFOSSA-N 0 0 467.570 3.400 20 0 JGADRN COc1cc(-c2nnc(N3CCS[C@@H](C)C3)n2Cc2ncccc2N(C)C)cc(OC)c1OC ZINC001299861797 1065078190 /nfs/dbraw/zinc/07/81/90/1065078190.db2.gz MRVXGRGQBGLNPJ-INIZCTEOSA-N 0 0 484.626 3.422 20 0 JGADRN COc1cc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCNC(=O)C(C)(C)C)ccc1OC(C)C ZINC001299861692 1065078226 /nfs/dbraw/zinc/07/82/26/1065078226.db2.gz JYCRWRYZKJDRIP-MJGOQNOKSA-N 0 0 473.618 3.110 20 0 JGADRN 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WUUJQFLSAAMTEM-UHFFFAOYSA-N 0 0 461.632 3.216 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2Cc2noc3c2CCCC3)cc1C ZINC001492320376 1065394580 /nfs/dbraw/zinc/39/45/80/1065394580.db2.gz JKNYWLJRJINGLI-UHFFFAOYSA-N 0 0 466.586 3.350 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCSC1 ZINC001492320744 1065395359 /nfs/dbraw/zinc/39/53/59/1065395359.db2.gz QVCOMFIEPHTGQZ-XMMPIXPASA-N 0 0 470.643 3.329 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001492321199 1065395921 /nfs/dbraw/zinc/39/59/21/1065395921.db2.gz YLRDQVCLAJVHPQ-QGZVFWFLSA-N 0 0 477.594 3.404 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CCN2CCOC(C)(C)C2)cc1C ZINC001492325873 1065398153 /nfs/dbraw/zinc/39/81/53/1065398153.db2.gz UBOKRJGVUNZREP-UHFFFAOYSA-N 0 0 454.575 3.209 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC(=O)NCc2ccco2)cc1C ZINC001492326093 1065398315 /nfs/dbraw/zinc/39/83/15/1065398315.db2.gz WVTDRDPQRFVUJV-UHFFFAOYSA-N 0 0 497.987 3.407 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3cccs3)n2CC2(C(N)=O)CCOCC2)cc1C ZINC001492329369 1065399652 /nfs/dbraw/zinc/39/96/52/1065399652.db2.gz JZOZKXCKMQEROM-UHFFFAOYSA-N 0 0 483.638 3.496 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3cnccn3)n2CCC(=O)NC(C)(C)C)cc1C ZINC001492329187 1065399712 /nfs/dbraw/zinc/39/97/12/1065399712.db2.gz HHUWSFMRQSZSAY-UHFFFAOYSA-N 0 0 465.602 3.248 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2C[C@@]2(C)COCCO2)cc1C ZINC001492329536 1065399889 /nfs/dbraw/zinc/39/98/89/1065399889.db2.gz LJEUKLOTEKJKML-QHCPKHFHSA-N 0 0 457.600 3.415 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CCCN2CCOC2=O)cc1C ZINC001492330419 1065401037 /nfs/dbraw/zinc/40/10/37/1065401037.db2.gz MEROBEQMMHIOIE-UHFFFAOYSA-N 0 0 457.575 3.179 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)cc1C ZINC001492331097 1065401679 /nfs/dbraw/zinc/40/16/79/1065401679.db2.gz QQULKBNWSHNLQM-QFIPXVFZSA-N 0 0 476.643 3.304 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](C)N2CCOCC2)cc1C ZINC001492337189 1065404428 /nfs/dbraw/zinc/40/44/28/1065404428.db2.gz GTJGRBDUQHPIHZ-LEWJYISDSA-N 0 0 457.619 3.198 20 0 JGADRN Cc1ccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@H]2CCCCS2)cc1 ZINC001492338850 1065406959 /nfs/dbraw/zinc/40/69/59/1065406959.db2.gz RPPZHVVHIRBZRI-HXUWFJFHSA-N 0 0 464.657 3.465 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC001492339896 1065408347 /nfs/dbraw/zinc/40/83/47/1065408347.db2.gz WRVYMVVXEOXSSJ-PKTZIBPZSA-N 0 0 457.619 3.138 20 0 JGADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCS(C)(=O)=O)C2)cc1 ZINC001492289332 1065408816 /nfs/dbraw/zinc/40/88/16/1065408816.db2.gz ZXFXBULCKRSVKG-LJQANCHMSA-N 0 0 490.674 3.357 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(F)(F)F)cc1 ZINC001492295614 1065410296 /nfs/dbraw/zinc/41/02/96/1065410296.db2.gz OVBLDJYSGWBGIX-HOTGVXAUSA-N 0 0 460.522 3.345 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001492295531 1065410315 /nfs/dbraw/zinc/41/03/15/1065410315.db2.gz OHPNOPPGUHAGNH-GUDVDZBRSA-N 0 0 457.600 3.374 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1 ZINC001492295534 1065410368 /nfs/dbraw/zinc/41/03/68/1065410368.db2.gz OHPNOPPGUHAGNH-QRVBRYPASA-N 0 0 457.600 3.374 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC001492294990 1065410404 /nfs/dbraw/zinc/41/04/04/1065410404.db2.gz LKSQITCUPFUKBK-PZJWPPBQSA-N 0 0 465.602 3.196 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)CC2)cc1 ZINC001492295011 1065410427 /nfs/dbraw/zinc/41/04/27/1065410427.db2.gz LQGYKHNWHCDHRT-OAHLLOKOSA-N 0 0 473.375 3.138 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC001492296142 1065411264 /nfs/dbraw/zinc/41/12/64/1065411264.db2.gz RZAUBTXZZZHIMK-HXUWFJFHSA-N 0 0 498.653 3.285 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 ZINC001492295618 1065411341 /nfs/dbraw/zinc/41/13/41/1065411341.db2.gz PBTHVICOEQJNKO-KNQAVFIVSA-N 0 0 454.575 3.085 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C(C)C)C2)cc1 ZINC001492296114 1065411451 /nfs/dbraw/zinc/41/14/51/1065411451.db2.gz RLCKVYTYEUIWAK-WSTZPKSXSA-N 0 0 481.688 3.242 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H](C)Oc2ccc(C)cc2)o1 ZINC001492297987 1065412152 /nfs/dbraw/zinc/41/21/52/1065412152.db2.gz ZKZCZUCYAPNYNW-SFHVURJKSA-N 0 0 453.543 3.093 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492296232 1065412210 /nfs/dbraw/zinc/41/22/10/1065412210.db2.gz SPJPMNVJAQXWFA-WSTZPKSXSA-N 0 0 484.601 3.109 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3C[C@]2(C)CCC3)cc1 ZINC001492297932 1065412267 /nfs/dbraw/zinc/41/22/67/1065412267.db2.gz ZEOLSINQQXWIQT-LVBDUCALSA-N 0 0 461.632 3.433 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001545691888 1065412859 /nfs/dbraw/zinc/41/28/59/1065412859.db2.gz KFTPEWFZCHCEMJ-SFHVURJKSA-N 0 0 472.609 3.472 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001545691878 1065413048 /nfs/dbraw/zinc/41/30/48/1065413048.db2.gz JZWPFMHHGZSGDG-SJORKVTESA-N 0 0 480.535 3.063 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(c4ccnn4C)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001492351953 1065414036 /nfs/dbraw/zinc/41/40/36/1065414036.db2.gz HKZYGEWIMXMFRS-UHFFFAOYSA-N 0 0 465.602 3.198 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCCNC(=O)OC(C)(C)C)cc1C ZINC001492353264 1065415725 /nfs/dbraw/zinc/41/57/25/1065415725.db2.gz VOQTZSQIWWFBRN-VWLOTQADSA-N 0 0 486.617 3.090 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CC2CC(C)(C)C2)cc1 ZINC001492353526 1065415771 /nfs/dbraw/zinc/41/57/71/1065415771.db2.gz CBZZEVVSPGYRTD-UHFFFAOYSA-N 0 0 475.659 3.367 20 0 JGADRN Cc1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)on1 ZINC001492353617 1065416206 /nfs/dbraw/zinc/41/62/06/1065416206.db2.gz GAURSSGXWHVOLS-UHFFFAOYSA-N 0 0 492.502 3.405 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CC2CCCC2)cc1 ZINC001492353751 1065416309 /nfs/dbraw/zinc/41/63/09/1065416309.db2.gz KRCCJHJKIKMYFM-UHFFFAOYSA-N 0 0 461.632 3.121 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](Cc4cnn(C)c4)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492353827 1065417190 /nfs/dbraw/zinc/41/71/90/1065417190.db2.gz MXSOOUSONBNWFF-OAQYLSRUSA-N 0 0 479.629 3.145 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)N(C)C[C@@H]4C3)n2C[C@](C)(O)CCC(C)C)cc1C ZINC001492391039 1065418825 /nfs/dbraw/zinc/41/88/25/1065418825.db2.gz KHTGIAODNPDWMG-QFQXNSOFSA-N 0 0 484.645 3.217 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)cc1C ZINC001492359217 1065420479 /nfs/dbraw/zinc/42/04/79/1065420479.db2.gz HBPXGLDSCPJZPN-SIBVEZHUSA-N 0 0 498.628 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N4CCCNC4=O)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492359925 1065421520 /nfs/dbraw/zinc/42/15/20/1065421520.db2.gz NZKLTQPDTAYIRS-AREMUKBSSA-N 0 0 484.645 3.265 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492360672 1065423142 /nfs/dbraw/zinc/42/31/42/1065423142.db2.gz ZRENHNNJCCCZIN-UHFFFAOYSA-N 0 0 471.574 3.037 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4sccc4C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001492363456 1065424988 /nfs/dbraw/zinc/42/49/88/1065424988.db2.gz KDWSNWDETTUQNV-UHFFFAOYSA-N 0 0 465.501 3.468 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCc2ccn(C)n2)cc1C ZINC001492364595 1065427281 /nfs/dbraw/zinc/42/72/81/1065427281.db2.gz XISHJYRFNKQHSM-UHFFFAOYSA-N 0 0 478.519 3.344 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2cccc(Br)n2)cc1 ZINC001492368489 1065428140 /nfs/dbraw/zinc/42/81/40/1065428140.db2.gz FUGVLBSVKGWUAF-MRXNPFEDSA-N 0 0 485.386 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCO[C@@H]2CCCC[C@H]2C)cc1 ZINC001492369594 1065429580 /nfs/dbraw/zinc/42/95/80/1065429580.db2.gz PAQWJNAZVDRZLT-RZUBCFFCSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@]2(O)CCSC2)cc1C ZINC001492369801 1065430284 /nfs/dbraw/zinc/43/02/84/1065430284.db2.gz CAQHQXFOVRYTDA-CPJSRVTESA-N 0 0 487.670 3.083 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2Cc2ccoc2)cc1C ZINC001492370227 1065431144 /nfs/dbraw/zinc/43/11/44/1065431144.db2.gz GIBHDDFKZMAIHP-FQEVSTJZSA-N 0 0 487.626 3.223 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccnc(C(F)(F)F)c2)cc1 ZINC001492370592 1065433515 /nfs/dbraw/zinc/43/35/15/1065433515.db2.gz UYPCYYIUYJUERW-QGZVFWFLSA-N 0 0 474.487 3.329 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCCc2cnn(C)n2)cc1 ZINC001492371065 1065434409 /nfs/dbraw/zinc/43/44/09/1065434409.db2.gz NHAUSSCKODTENO-NRFANRHFSA-N 0 0 494.644 3.058 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCCc2cnn(C)n2)cc1 ZINC001492371066 1065434510 /nfs/dbraw/zinc/43/45/10/1065434510.db2.gz NHAUSSCKODTENO-OAQYLSRUSA-N 0 0 494.644 3.058 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@@H]2CCOC2)cc1C ZINC001492371744 1065436063 /nfs/dbraw/zinc/43/60/63/1065436063.db2.gz UASWALNVVMCRCB-VXKWHMMOSA-N 0 0 469.630 3.499 20 0 JGADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCOCC(F)F)C2)n1 ZINC001492371869 1065436516 /nfs/dbraw/zinc/43/65/16/1065436516.db2.gz UKVMDFLUWTWSNJ-IBGZPJMESA-N 0 0 475.544 3.497 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[C@@H]2COCCO2)cc1 ZINC001492372045 1065436644 /nfs/dbraw/zinc/43/66/44/1065436644.db2.gz VYYGEQSMVIVCNY-IFMALSPDSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001492372313 1065437306 /nfs/dbraw/zinc/43/73/06/1065437306.db2.gz YATNFPQJGJKGGK-ASPBEGMCSA-N 0 0 475.659 3.113 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)c2nccs2)cc1 ZINC001492372290 1065437411 /nfs/dbraw/zinc/43/74/11/1065437411.db2.gz XXLHFFOOCSFPSG-HKUYNNGSSA-N 0 0 475.640 3.439 20 0 JGADRN Cc1nc(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)sc1C ZINC001492372346 1065437455 /nfs/dbraw/zinc/43/74/55/1065437455.db2.gz YMGUVHBBEPZYII-HXUWFJFHSA-N 0 0 489.667 3.495 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)cc1C ZINC001492372353 1065437473 /nfs/dbraw/zinc/43/74/73/1065437473.db2.gz YQISLYJPEGPXSA-UHFFFAOYSA-N 0 0 457.575 3.368 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[S@@](=O)C(C)(C)C)cc1C ZINC001492372312 1065437496 /nfs/dbraw/zinc/43/74/96/1065437496.db2.gz YATNFPQJGJKGGK-AONNBLCTSA-N 0 0 475.659 3.113 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CC2(O)CCS(=O)(=O)CC2)cc1C ZINC001492376602 1065438885 /nfs/dbraw/zinc/43/88/85/1065438885.db2.gz AVBCZNXRYQNLHP-OAQYLSRUSA-N 0 0 476.643 3.038 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](C)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492376826 1065439948 /nfs/dbraw/zinc/43/99/48/1065439948.db2.gz DMTFPQJXNPRYHQ-WOJBJXKFSA-N 0 0 461.632 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCC2(F)CCC2)cc1C ZINC001492377207 1065440724 /nfs/dbraw/zinc/44/07/24/1065440724.db2.gz MVLRGNUTNRJRAN-UHFFFAOYSA-N 0 0 479.622 3.228 20 0 JGADRN Cc1noc(C)c1CCn1c(COc2ccc(C)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001492378348 1065443082 /nfs/dbraw/zinc/44/30/82/1065443082.db2.gz LDTFHBNBOXDDDZ-NRFANRHFSA-N 0 0 487.626 3.417 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]3C3CCC3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001492379068 1065443788 /nfs/dbraw/zinc/44/37/88/1065443788.db2.gz PAXAMQWPPNJLNT-OAQYLSRUSA-N 0 0 461.632 3.262 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[C@@H]2CCOC2)cc1 ZINC001492379051 1065443849 /nfs/dbraw/zinc/44/38/49/1065443849.db2.gz OYFCDMSJGXBKLE-OAQYLSRUSA-N 0 0 455.603 3.287 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2OCCC2(C)C)cc1 ZINC001492379716 1065444649 /nfs/dbraw/zinc/44/46/49/1065444649.db2.gz VYWJNCSPUMTAFA-SFTDATJTSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCC[C@H](O)C2)cc1C ZINC001492382899 1065445325 /nfs/dbraw/zinc/44/53/25/1065445325.db2.gz FAHYWQJTPBJHCL-YADHBBJMSA-N 0 0 469.630 3.330 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCc2cccnc2)cc1 ZINC001492382948 1065445390 /nfs/dbraw/zinc/44/53/90/1065445390.db2.gz GJFHWEHRAVXCSW-UHFFFAOYSA-N 0 0 477.613 3.433 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2CCCC(C)C)cc1 ZINC001492383584 1065447959 /nfs/dbraw/zinc/44/79/59/1065447959.db2.gz WAXKGAULLICSNO-JOCHJYFZSA-N 0 0 455.603 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H]2CSCCS2)cc1 ZINC001492383711 1065448637 /nfs/dbraw/zinc/44/86/37/1065448637.db2.gz BBPUKYYFVCZORT-FQEVSTJZSA-N 0 0 475.684 3.319 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC(F)(F)Br)cc1C ZINC001492383758 1065448705 /nfs/dbraw/zinc/44/87/05/1065448705.db2.gz XGXYKWXDHQQJKR-CQSZACIVSA-N 0 0 472.334 3.129 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCSC2)cc1 ZINC001492383741 1065448713 /nfs/dbraw/zinc/44/87/13/1065448713.db2.gz XFMIHYVDDSDYQZ-DEOSSOPVSA-N 0 0 489.642 3.091 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCSC2)cc1 ZINC001492383742 1065448740 /nfs/dbraw/zinc/44/87/40/1065448740.db2.gz XFMIHYVDDSDYQZ-XMMPIXPASA-N 0 0 489.642 3.091 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2Cc2ccc(F)cn2)cc1 ZINC001492383974 1065449409 /nfs/dbraw/zinc/44/94/09/1065449409.db2.gz DDWURGZLNQWIMM-IBGZPJMESA-N 0 0 466.561 3.441 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCSCCCO)cc1 ZINC001492383910 1065449571 /nfs/dbraw/zinc/44/95/71/1065449571.db2.gz ZDKHJKRBNPKUEL-UHFFFAOYSA-N 0 0 491.658 3.338 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492385612 1065453179 /nfs/dbraw/zinc/45/31/79/1065453179.db2.gz SDHQPZCGTSLIHK-XIFFEERXSA-N 0 0 475.659 3.017 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4ccccn4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492386155 1065454664 /nfs/dbraw/zinc/45/46/64/1065454664.db2.gz YEAWOOSJXHEHGW-VWLOTQADSA-N 0 0 450.587 3.294 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1C ZINC001492385949 1065454692 /nfs/dbraw/zinc/45/46/92/1065454692.db2.gz WERBFCXAUWUDHO-JOCHJYFZSA-N 0 0 489.686 3.077 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC2(O)CCCC2)cc1C ZINC001492386256 1065455547 /nfs/dbraw/zinc/45/55/47/1065455547.db2.gz ZXJGVGWUMODMDE-NRFANRHFSA-N 0 0 469.630 3.472 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCOCCC(C)C)cc1C ZINC001492391279 1065455637 /nfs/dbraw/zinc/45/56/37/1065455637.db2.gz QWFQSLYHECDNQF-OAQYLSRUSA-N 0 0 455.603 3.348 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCN2CCOCC2(C)C)cc1 ZINC001492341114 1065457159 /nfs/dbraw/zinc/45/71/59/1065457159.db2.gz ZUEFEVNZUIUEDK-FQEVSTJZSA-N 0 0 457.619 3.280 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC001492344242 1065458130 /nfs/dbraw/zinc/45/81/30/1065458130.db2.gz KSIZXOJWADSOLG-SBHAEUEKSA-N 0 0 498.628 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492344617 1065458812 /nfs/dbraw/zinc/45/88/12/1065458812.db2.gz OKRUABSXDNIZNO-NRFANRHFSA-N 0 0 469.630 3.474 20 0 JGADRN Cc1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)on1 ZINC001492347491 1065462816 /nfs/dbraw/zinc/46/28/16/1065462816.db2.gz VANDSDQRAWAGOH-MRXNPFEDSA-N 0 0 478.475 3.015 20 0 JGADRN Cc1nnc(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(CC(F)(F)F)CC2)s1 ZINC001492392310 1065464516 /nfs/dbraw/zinc/46/45/16/1065464516.db2.gz WUXMHTANORMZRO-UHFFFAOYSA-N 0 0 467.521 3.058 20 0 JGADRN Cc1c(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cnn1C ZINC001492394175 1065465981 /nfs/dbraw/zinc/46/59/81/1065465981.db2.gz OHVCWCPJMDKTBZ-GOSISDBHSA-N 0 0 450.465 3.023 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1C ZINC001492394545 1065466911 /nfs/dbraw/zinc/46/69/11/1065466911.db2.gz OSIQMOJUUCJLRW-QZTJIDSGSA-N 0 0 481.519 3.156 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@]2(O)CCSC2)cc1C ZINC001492395069 1065466917 /nfs/dbraw/zinc/46/69/17/1065466917.db2.gz QVHSSYVHHLBHNQ-XLIONFOSSA-N 0 0 472.533 3.109 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC001492401131 1065470940 /nfs/dbraw/zinc/47/09/40/1065470940.db2.gz MNSOKBHXTTWOOB-PZJWPPBQSA-N 0 0 478.684 3.486 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCCOC[C@@H]2CCOC2)cc1C ZINC001492402365 1065472603 /nfs/dbraw/zinc/47/26/03/1065472603.db2.gz RUCSGPSWGBGDFS-NWSQWKLXSA-N 0 0 458.603 3.124 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC(=O)N(C)C2CCCCC2)cc1C ZINC001492403069 1065473476 /nfs/dbraw/zinc/47/34/76/1065473476.db2.gz ZXTMVCIQBMLJJV-XXBNENTESA-N 0 0 469.630 3.472 20 0 JGADRN Cc1ccc(OCc2nnc(Nc3ccn(C)n3)n2CC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001492409052 1065474179 /nfs/dbraw/zinc/47/41/79/1065474179.db2.gz RETMEFPKMFZYCQ-SFHVURJKSA-N 0 0 479.507 3.296 20 0 JGADRN Cc1ccc(OCCCCn2c(C(C)C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC001492409004 1065474234 /nfs/dbraw/zinc/47/42/34/1065474234.db2.gz QOYCRLNGMZMNBB-UHFFFAOYSA-N 0 0 463.648 3.429 20 0 JGADRN Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)cc1 ZINC001492412229 1065476035 /nfs/dbraw/zinc/47/60/35/1065476035.db2.gz MXYQSOALNFCZNX-HXUWFJFHSA-N 0 0 497.600 3.278 20 0 JGADRN Cc1ccc(OCCCn2c([C@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 ZINC001492417921 1065477690 /nfs/dbraw/zinc/47/76/90/1065477690.db2.gz WNDUGMVKEDZHCO-NRFANRHFSA-N 0 0 455.603 3.254 20 0 JGADRN Cc1ccc(OCCCn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 ZINC001492417922 1065477705 /nfs/dbraw/zinc/47/77/05/1065477705.db2.gz WNDUGMVKEDZHCO-OAQYLSRUSA-N 0 0 455.603 3.254 20 0 JGADRN Cc1ccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001492417977 1065477744 /nfs/dbraw/zinc/47/77/44/1065477744.db2.gz YCBHLJCODPBWQN-CTNGQTDRSA-N 0 0 498.628 3.452 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@H](O)C2)cc1 ZINC001492418113 1065477792 /nfs/dbraw/zinc/47/77/92/1065477792.db2.gz CCVVDJVBFNQLCR-UXHICEINSA-N 0 0 464.570 3.300 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCC2)cc1 ZINC001492418789 1065479460 /nfs/dbraw/zinc/47/94/60/1065479460.db2.gz MAJYCOKKPOQIEP-UHFFFAOYSA-N 0 0 455.584 3.131 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC001492418791 1065479479 /nfs/dbraw/zinc/47/94/79/1065479479.db2.gz MECKHXFLBROREO-HXOBKFHXSA-N 0 0 457.962 3.357 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2cccnc2)cc1 ZINC001492419107 1065479506 /nfs/dbraw/zinc/47/95/06/1065479506.db2.gz PUYUGFPOCHEWCU-UHFFFAOYSA-N 0 0 457.538 3.387 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)O)cc1 ZINC001492420178 1065480993 /nfs/dbraw/zinc/48/09/93/1065480993.db2.gz BADYPFYUXRWELC-FQEVSTJZSA-N 0 0 489.617 3.181 20 0 JGADRN Cc1ccc(OCCn2c(-c3cc(Br)cn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC001492424430 1065482944 /nfs/dbraw/zinc/48/29/44/1065482944.db2.gz JBUSIRIUBFSXIT-MRXNPFEDSA-N 0 0 487.402 3.100 20 0 JGADRN Cc1ccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC001492425269 1065484592 /nfs/dbraw/zinc/48/45/92/1065484592.db2.gz WTJQGVFUTFWSHO-IXDOHACOSA-N 0 0 471.574 3.003 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCOC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC001492427348 1065486206 /nfs/dbraw/zinc/48/62/06/1065486206.db2.gz PWUZPLQNXIGKGW-SFHVURJKSA-N 0 0 481.519 3.064 20 0 JGADRN Cc1ccc(OCCn2c(CN3CCCC3=O)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC001492429112 1065486787 /nfs/dbraw/zinc/48/67/87/1065486787.db2.gz FTQIIXWTKAXBEB-NRFANRHFSA-N 0 0 496.656 3.165 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492428086 1065486798 /nfs/dbraw/zinc/48/67/98/1065486798.db2.gz ZMHYULMXDLNBKN-RTBURBONSA-N 0 0 457.575 3.273 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCOC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492428083 1065486809 /nfs/dbraw/zinc/48/68/09/1065486809.db2.gz ZMHYULMXDLNBKN-OALUTQOASA-N 0 0 457.575 3.273 20 0 JGADRN Cc1ccc(-c2nnc(N(C)CCNS(=O)(=O)c3ccc(C)cc3)n2CCC2CCOCC2)o1 ZINC001492429130 1065486847 /nfs/dbraw/zinc/48/68/47/1065486847.db2.gz GLNCKGACHKAKTC-UHFFFAOYSA-N 0 0 487.626 3.386 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCS2)cc1 ZINC001492429158 1065487285 /nfs/dbraw/zinc/48/72/85/1065487285.db2.gz HGDCQDPWQOREAQ-UXHICEINSA-N 0 0 493.699 3.181 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCCCO3)n2CC2CC(F)(F)C2)cc1 ZINC001492429437 1065487306 /nfs/dbraw/zinc/48/73/06/1065487306.db2.gz IRCDUFSDOICMHR-IBGZPJMESA-N 0 0 483.585 3.288 20 0 JGADRN Cc1ccc(OCCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H]2CCCO2)cc1 ZINC001492429398 1065487361 /nfs/dbraw/zinc/48/73/61/1065487361.db2.gz IIXFGDKMDPWAQD-LJQANCHMSA-N 0 0 455.584 3.272 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CC3)n2Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC001492429563 1065488222 /nfs/dbraw/zinc/48/82/22/1065488222.db2.gz JZCIFHPYKNPQRQ-UHFFFAOYSA-N 0 0 498.653 3.499 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCOC3)n2CCc2ccsc2)cc1 ZINC001492430403 1065488275 /nfs/dbraw/zinc/48/82/75/1065488275.db2.gz OANJZDKXDBONPG-FQEVSTJZSA-N 0 0 489.667 3.199 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCC[C@@H]2C)cc1 ZINC001492429714 1065488305 /nfs/dbraw/zinc/48/83/05/1065488305.db2.gz LFLMKXOMKXXEJO-PZJWPPBQSA-N 0 0 468.627 3.499 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CC=CCC2)cc1 ZINC001492431966 1065488946 /nfs/dbraw/zinc/48/89/46/1065488946.db2.gz UUSVJBSJAXTSOM-RTWAWAEBSA-N 0 0 473.643 3.252 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccc3C)nnc2N2CC[C@H](C)C2)s1 ZINC001492435754 1065489723 /nfs/dbraw/zinc/48/97/23/1065489723.db2.gz AJFSAARSGQJZCY-INIZCTEOSA-N 0 0 459.641 3.372 20 0 JGADRN Cc1ccc(-c2nnc(N(C)CCNS(=O)(=O)c3ccc(C)cc3)n2Cc2nccs2)o1 ZINC001492432059 1065489798 /nfs/dbraw/zinc/48/97/98/1065489798.db2.gz WUOWYXYNBJSFCA-UHFFFAOYSA-N 0 0 472.596 3.074 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@H]3CCOC3)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001492435775 1065489862 /nfs/dbraw/zinc/48/98/62/1065489862.db2.gz ALKWZDKFRDDWHB-RBBKRZOGSA-N 0 0 459.660 3.461 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(N3CCC=C(Br)C3)nnc2C(C)(C)C)s1 ZINC001492436942 1065492255 /nfs/dbraw/zinc/49/22/55/1065492255.db2.gz MYTKBUKIIDVXFS-UHFFFAOYSA-N 0 0 488.477 3.413 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3cccnc3)nnc2N2C[C@H](C)CC(C)(C)C2)s1 ZINC001492437136 1065492771 /nfs/dbraw/zinc/49/27/71/1065492771.db2.gz RWAJBGFAUOUGPF-QGZVFWFLSA-N 0 0 488.683 3.485 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCCC2)s1 ZINC001492437552 1065494534 /nfs/dbraw/zinc/49/45/34/1065494534.db2.gz YEMZUOQAVRCWLM-UHFFFAOYSA-N 0 0 475.640 3.423 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cccnc3)nnc2N2CC[C@@H](C)[C@H](C)C2)s1 ZINC001492437964 1065494550 /nfs/dbraw/zinc/49/45/50/1065494550.db2.gz FAVOXCLMTPJHJE-HZPDHXFCSA-N 0 0 460.629 3.171 20 0 JGADRN 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ZINC001492467226 1065514212 /nfs/dbraw/zinc/51/42/12/1065514212.db2.gz AAXBZGJBLUTSIS-ROUUACIJSA-N 0 0 485.576 3.367 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCNC(=O)C2CC2)cc1 ZINC001492467804 1065515442 /nfs/dbraw/zinc/51/54/42/1065515442.db2.gz NBHMYMNODBKTRY-QGZVFWFLSA-N 0 0 469.533 3.173 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@H](C)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 ZINC001492468093 1065516020 /nfs/dbraw/zinc/51/60/20/1065516020.db2.gz UWHNYALISATBTM-IEBWSBKVSA-N 0 0 450.630 3.071 20 0 JGADRN Cc1ccc(SCCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 ZINC001492469206 1065517991 /nfs/dbraw/zinc/51/79/91/1065517991.db2.gz CGZAQGWSOLKTML-HXUWFJFHSA-N 0 0 470.643 3.025 20 0 JGADRN Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC001492469276 1065518608 /nfs/dbraw/zinc/51/86/08/1065518608.db2.gz FVJCUGXMXCRPHR-NTKDMRAZSA-N 0 0 473.643 3.291 20 0 JGADRN Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccn3)CC2)cc1 ZINC001492469510 1065518651 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KCUZWJVUIUYWGM-SFHLNBCPSA-N 0 0 476.643 3.274 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001301237281 1066054667 /nfs/dbraw/zinc/05/46/67/1066054667.db2.gz CWWPGJXLRBPDFM-GOSISDBHSA-N 0 0 492.642 3.183 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)C(C)(C)C)C1 ZINC001301238236 1066055943 /nfs/dbraw/zinc/05/59/43/1066055943.db2.gz GUQDFLOCMWAANF-KRWDZBQOSA-N 0 0 457.575 3.089 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C2CC2)C1 ZINC001301238521 1066056281 /nfs/dbraw/zinc/05/62/81/1066056281.db2.gz RAXLBWFAWWJZPF-INIZCTEOSA-N 0 0 463.529 3.326 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNS(C)(=O)=O)C1 ZINC001301239206 1066056694 /nfs/dbraw/zinc/05/66/94/1066056694.db2.gz UBDFPDQPPJYPIE-CQSZACIVSA-N 0 0 476.430 3.054 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N2CCOCC2)C1 ZINC001301239247 1066057171 /nfs/dbraw/zinc/05/71/71/1066057171.db2.gz UGXRGOFIRVJFCF-GOSISDBHSA-N 0 0 461.994 3.100 20 0 JGADRN 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JGADRN COC(=O)Cc1ccc(CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)cc1 ZINC001301464382 1066288261 /nfs/dbraw/zinc/28/82/61/1066288261.db2.gz CUTUGMBSCMWUSA-MHZLTWQESA-N 0 0 452.370 3.369 20 0 JGADRN COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=C(C(F)(F)F)CC2)CCCC1 ZINC001301465291 1066288838 /nfs/dbraw/zinc/28/88/38/1066288838.db2.gz GOUHZYBTICEBGX-OAHLLOKOSA-N 0 0 479.569 3.184 20 0 JGADRN C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2F)CC1 ZINC001301981180 1066288917 /nfs/dbraw/zinc/28/89/17/1066288917.db2.gz JRYWISKLQZRQPV-FQEVSTJZSA-N 0 0 470.637 3.381 20 0 JGADRN COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@H](C3CCC3)C2)CCCCC1 ZINC001301466596 1066289266 /nfs/dbraw/zinc/28/92/66/1066289266.db2.gz PWNUIWICJWIGNF-PZJWPPBQSA-N 0 0 497.706 3.128 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1Cc1cc(C)cc(OC)c1 ZINC001301982077 1066289679 /nfs/dbraw/zinc/28/96/79/1066289679.db2.gz CVULNGITFDQQQP-CLOONOSVSA-N 0 0 474.602 3.142 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCOC1 ZINC001301982669 1066290284 /nfs/dbraw/zinc/29/02/84/1066290284.db2.gz KYBGBNQJSCYGTE-KURKYZTESA-N 0 0 472.615 3.020 20 0 JGADRN COCCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](NC(C)=O)C2)CCC1 ZINC001301467923 1066290432 /nfs/dbraw/zinc/29/04/32/1066290432.db2.gz CHJJHBPUICPZPQ-KRWDZBQOSA-N 0 0 479.423 3.347 20 0 JGADRN COCCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001301467929 1066290679 /nfs/dbraw/zinc/29/06/79/1066290679.db2.gz CKYOJGYLXCZLKK-UHFFFAOYSA-N 0 0 480.382 3.332 20 0 JGADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CCCCC2)CC1 ZINC001301982799 1066290845 /nfs/dbraw/zinc/29/08/45/1066290845.db2.gz MDPYIYAEQONOSI-FQEVSTJZSA-N 0 0 474.694 3.131 20 0 JGADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CCCCC2)CC1 ZINC001301982801 1066290892 /nfs/dbraw/zinc/29/08/92/1066290892.db2.gz MDPYIYAEQONOSI-HXUWFJFHSA-N 0 0 474.694 3.131 20 0 JGADRN COCCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001301468021 1066291165 /nfs/dbraw/zinc/29/11/65/1066291165.db2.gz GYSDPAFEXVPCSE-GJZGRUSLSA-N 0 0 452.397 3.476 20 0 JGADRN COCCC1(Cn2c(C)nnc2N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC001301468532 1066291817 /nfs/dbraw/zinc/29/18/17/1066291817.db2.gz RKSDZEIVJVZJTG-RBBKRZOGSA-N 0 0 460.667 3.000 20 0 JGADRN COCCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CCCC1 ZINC001301468876 1066292587 /nfs/dbraw/zinc/29/25/87/1066292587.db2.gz SWLIEUXFNQILPW-MRXNPFEDSA-N 0 0 493.450 3.310 20 0 JGADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCSC2)CC1 ZINC001301983883 1066292766 /nfs/dbraw/zinc/29/27/66/1066292766.db2.gz QVNXXNLOCYIKHI-MOPGFXCFSA-N 0 0 462.708 3.288 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1=CCCOC1)S(C)(=O)=O ZINC001301984173 1066293296 /nfs/dbraw/zinc/29/32/96/1066293296.db2.gz SBTQUNOMHHLCEL-LSDHHAIUSA-N 0 0 470.542 3.151 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(C)(C)C ZINC001301983971 1066293567 /nfs/dbraw/zinc/29/35/67/1066293567.db2.gz RMNRVKNYJSLSMJ-SJORKVTESA-N 0 0 484.688 3.433 20 0 JGADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2CCOC2CCCCCC2)CC1 ZINC001301984317 1066294001 /nfs/dbraw/zinc/29/40/01/1066294001.db2.gz TVLYKTAMHMUGDV-LJQANCHMSA-N 0 0 460.667 3.104 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC001301984477 1066294529 /nfs/dbraw/zinc/29/45/29/1066294529.db2.gz PKPSDUWMOKKPDI-JTOYRKQZSA-N 0 0 471.646 3.476 20 0 JGADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001301984601 1066294562 /nfs/dbraw/zinc/29/45/62/1066294562.db2.gz VDHCHSSIVVAYOE-KRWDZBQOSA-N 0 0 493.578 3.498 20 0 JGADRN COCCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCC1 ZINC001301470247 1066294702 /nfs/dbraw/zinc/29/47/02/1066294702.db2.gz ZLPSQJKVYVYKQJ-FQEVSTJZSA-N 0 0 462.616 3.174 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CC(C)(OC)C2)n1CCc1cc(Br)ccc1F ZINC001301984980 1066295135 /nfs/dbraw/zinc/29/51/35/1066295135.db2.gz RCVOLUSUYOYBEK-AWEZNQCLSA-N 0 0 471.371 3.372 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001301984993 1066295319 /nfs/dbraw/zinc/29/53/19/1066295319.db2.gz RCXBPOCMFJOXOC-BFRACDOUSA-N 0 0 493.693 3.000 20 0 JGADRN COCCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001301470926 1066295180 /nfs/dbraw/zinc/29/51/80/1066295180.db2.gz NAWWRBAYFWYDSW-UHFFFAOYSA-N 0 0 493.027 3.201 20 0 JGADRN COCCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001301471521 1066295858 /nfs/dbraw/zinc/29/58/58/1066295858.db2.gz WLEQGZIAJWVUSS-OAHLLOKOSA-N 0 0 492.418 3.200 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1nc(C(C)(C)C)cs1 ZINC001301985180 1066295866 /nfs/dbraw/zinc/29/58/66/1066295866.db2.gz ABFVBJHDUOWARI-GJZGRUSLSA-N 0 0 462.645 3.400 20 0 JGADRN C[C@H](O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccccc1 ZINC001301472325 1066296296 /nfs/dbraw/zinc/29/62/96/1066296296.db2.gz LKZAOWFXIVRHJF-MHECFPHRSA-N 0 0 450.560 3.286 20 0 JGADRN COCCC1(Cn2c(-c3ccccc3F)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CCCC1 ZINC001301472133 1066296574 /nfs/dbraw/zinc/29/65/74/1066296574.db2.gz QDQBDNLDVQRMLL-YLJYHZDGSA-N 0 0 460.550 3.041 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CC(F)(F)CO1 ZINC001301985660 1066297012 /nfs/dbraw/zinc/29/70/12/1066297012.db2.gz ZQCQWCPEYMSICW-DVOMOZLQSA-N 0 0 494.511 3.229 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)OC(C)(C)C ZINC001301985673 1066297291 /nfs/dbraw/zinc/29/72/91/1066297291.db2.gz ZVBFKVIUIPQABX-GJZGRUSLSA-N 0 0 486.038 3.381 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C ZINC001301986160 1066298382 /nfs/dbraw/zinc/29/83/82/1066298382.db2.gz VWFSIALUKFKFER-WCAYHLDQSA-N 0 0 493.649 3.119 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCN1c2ccccc2C[C@@H]1C ZINC001301986209 1066298883 /nfs/dbraw/zinc/29/88/83/1066298883.db2.gz WHSHYZXFJYYNQD-SLFFLAALSA-N 0 0 457.619 3.457 20 0 JGADRN COCCC1(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CCCC1 ZINC001301477303 1066299644 /nfs/dbraw/zinc/29/96/44/1066299644.db2.gz NSMROEGFIQICSX-FQEVSTJZSA-N 0 0 469.634 3.321 20 0 JGADRN COCCC1(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CCC1 ZINC001301476796 1066299862 /nfs/dbraw/zinc/29/98/62/1066299862.db2.gz HCDVPGIGHPFWLS-UHFFFAOYSA-N 0 0 454.497 3.233 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cccnc2)n1CCc1cccc2[nH]ccc21)S(C)(=O)=O ZINC001301986736 1066300263 /nfs/dbraw/zinc/30/02/63/1066300263.db2.gz FKFWPHRSKZGGTJ-DLBZAZTESA-N 0 0 452.584 3.322 20 0 JGADRN COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C(C)C)C2)CCCC1 ZINC001301479671 1066301297 /nfs/dbraw/zinc/30/12/97/1066301297.db2.gz AQVFFOUCLJSUST-SFTDATJTSA-N 0 0 497.706 3.080 20 0 JGADRN COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](C(C)C)C2)CCCC1 ZINC001301479669 1066301491 /nfs/dbraw/zinc/30/14/91/1066301491.db2.gz AQVFFOUCLJSUST-RTWAWAEBSA-N 0 0 497.706 3.080 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCCn1cc(Br)cn1 ZINC001301987428 1066301842 /nfs/dbraw/zinc/30/18/42/1066301842.db2.gz CBQYOZOZIBURIL-JKSUJKDBSA-N 0 0 485.427 3.055 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CC=CCO1 ZINC001301987462 1066301912 /nfs/dbraw/zinc/30/19/12/1066301912.db2.gz HXCREGSLATVHFK-ZHALLVOQSA-N 0 0 455.584 3.096 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CCOc1ncccc1F ZINC001301987543 1066302476 /nfs/dbraw/zinc/30/24/76/1066302476.db2.gz ILUKBFFEXIKAPN-IRXDYDNUSA-N 0 0 498.584 3.364 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cc(C2CC2)ccc1F)S(C)(=O)=O ZINC001301987654 1066302635 /nfs/dbraw/zinc/30/26/35/1066302635.db2.gz AWQSENDMKIVCAF-LSDHHAIUSA-N 0 0 458.563 3.058 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001301987607 1066302985 /nfs/dbraw/zinc/30/29/85/1066302985.db2.gz AGTUYEBAQKXGID-BRWVUGGUSA-N 0 0 482.597 3.440 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1cccc(NC(C)=O)c1 ZINC001301987759 1066303209 /nfs/dbraw/zinc/30/32/09/1066303209.db2.gz DMUOQMIAESTMOM-QMTMVMCOSA-N 0 0 485.507 3.165 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CCN1CCc2ccccc2C1 ZINC001301988333 1066303973 /nfs/dbraw/zinc/30/39/73/1066303973.db2.gz CPJBGTGDHICCNE-MOPGFXCFSA-N 0 0 459.660 3.252 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCCc1nc2c(s1)CCCC2)S(C)(=O)=O ZINC001301989085 1066306400 /nfs/dbraw/zinc/30/64/00/1066306400.db2.gz FWPNBPUZKDYSAS-JKSUJKDBSA-N 0 0 476.672 3.499 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccccc2F)n1CCOc1ccc(Cl)cn1)S(C)(=O)=O ZINC001301989416 1066306911 /nfs/dbraw/zinc/30/69/11/1066306911.db2.gz OVGCQHNPJTZBKB-LSDHHAIUSA-N 0 0 481.981 3.469 20 0 JGADRN COCCC1(Cn2c([C@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)CCCC1 ZINC001301484280 1066306976 /nfs/dbraw/zinc/30/69/76/1066306976.db2.gz PHVXVIYFLOCDNO-LJQANCHMSA-N 0 0 454.637 3.130 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H]1CCCCO1 ZINC001301989975 1066307550 /nfs/dbraw/zinc/30/75/50/1066307550.db2.gz IKHNZCUNSIKDMN-DXIQSLLYSA-N 0 0 486.642 3.348 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1c(F)cccc1Cl)S(C)(=O)=O ZINC001301989450 1066307569 /nfs/dbraw/zinc/30/75/69/1066307569.db2.gz HAJOPSBVQRIZOR-QWHCGFSZSA-N 0 0 497.980 3.104 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCc1sccc1C ZINC001301989879 1066307842 /nfs/dbraw/zinc/30/78/42/1066307842.db2.gz NTMVERPHMFAGHZ-YCRNBWNJSA-N 0 0 464.632 3.389 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001301989869 1066307947 /nfs/dbraw/zinc/30/79/47/1066307947.db2.gz NSNXBJJOCJIRTP-IAGOWNOFSA-N 0 0 477.572 3.280 20 0 JGADRN 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CNC(C)=O)CC2)n1Cc1cc(F)ccc1SC ZINC001302283155 1066852286 /nfs/dbraw/zinc/85/22/86/1066852286.db2.gz ANTWCKSMTWKFPO-AVRDEDQJSA-N 0 0 491.633 3.264 20 0 JGADRN COCCN1C[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC(C)=C(C)C2)CC1=O ZINC001301864015 1066852493 /nfs/dbraw/zinc/85/24/93/1066852493.db2.gz QFVJTYSCVUKGFK-NRFANRHFSA-N 0 0 453.587 3.207 20 0 JGADRN COCCN1C[C@H](Cn2c(-c3ccccc3OC)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1=O ZINC001301864119 1066852537 /nfs/dbraw/zinc/85/25/37/1066852537.db2.gz JQDJHBPNRWWLDI-JFIYKMOQSA-N 0 0 481.519 3.083 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001302283886 1066853461 /nfs/dbraw/zinc/85/34/61/1066853461.db2.gz IWUBXSCXCJAYAU-XDNAFOTISA-N 0 0 491.530 3.035 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001302283884 1066853472 /nfs/dbraw/zinc/85/34/72/1066853472.db2.gz IWUBXSCXCJAYAU-FJIDUMEYSA-N 0 0 491.530 3.035 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1Cc1c(C)coc1C ZINC001302283635 1066853592 /nfs/dbraw/zinc/85/35/92/1066853592.db2.gz GWVGCQNCNUQFSJ-HKUYNNGSSA-N 0 0 499.534 3.155 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CCC(N)=O)CC2)n1Cc1c(Cl)cccc1OC ZINC001302284124 1066854064 /nfs/dbraw/zinc/85/40/64/1066854064.db2.gz NUBUCJKCEZRGLE-JTSKRJEESA-N 0 0 492.020 3.194 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC(N)=O)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001302284023 1066854087 /nfs/dbraw/zinc/85/40/87/1066854087.db2.gz LRGWYFDDOBYWNQ-UWJYYQICSA-N 0 0 490.674 3.091 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001302283941 1066854107 /nfs/dbraw/zinc/85/41/07/1066854107.db2.gz MDEAETZZCGTXHU-DYXWJJEUSA-N 0 0 494.633 3.348 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](CC(C)C)C2)n1CC1(COC)CCOCC1 ZINC001302284256 1066854570 /nfs/dbraw/zinc/85/45/70/1066854570.db2.gz OJHQUCYPPJWRSJ-HKBOAZHASA-N 0 0 450.624 3.318 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC(N)=O)CC2)n1Cc1c(F)cccc1SC ZINC001302284322 1066854683 /nfs/dbraw/zinc/85/46/83/1066854683.db2.gz QINWOMHJKWXLHD-KKSFZXQISA-N 0 0 477.606 3.003 20 0 JGADRN COCCN1C[C@H](Cn2c(Cc3ccccc3C)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1=O ZINC001301864995 1066854840 /nfs/dbraw/zinc/85/48/40/1066854840.db2.gz TZBWHZTYZNOCLQ-UYAOXDASSA-N 0 0 479.547 3.451 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001302284499 1066855204 /nfs/dbraw/zinc/85/52/04/1066855204.db2.gz QRLNCHHOYCJSRJ-CVYDXHPNSA-N 0 0 464.636 3.061 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001302284509 1066855228 /nfs/dbraw/zinc/85/52/28/1066855228.db2.gz QTFUDWMECJAGAW-KJJMTIBFSA-N 0 0 450.624 3.052 20 0 JGADRN C[C@]12CN(C(=O)[C@H](Oc3ccc(Br)cc3)c3ccccc3)C[C@@]1(C)C(=O)NC2=O ZINC001302284712 1066855250 /nfs/dbraw/zinc/85/52/50/1066855250.db2.gz FDCFFPQBRWWBOA-YHYVQYDKSA-N 0 0 457.324 3.080 20 0 JGADRN COCCN1C[C@H](Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1=O ZINC001301865212 1066855659 /nfs/dbraw/zinc/85/56/59/1066855659.db2.gz MUCNSKAYEWXQRH-IXDOHACOSA-N 0 0 464.035 3.424 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCC(=O)N1CCCCC1 ZINC001302285005 1066855825 /nfs/dbraw/zinc/85/58/25/1066855825.db2.gz XAFQJHVLADCXAL-KXBFYZLASA-N 0 0 472.417 3.304 20 0 JGADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)Oc2cccc(C)c2)C1 ZINC001301865449 1066856133 /nfs/dbraw/zinc/85/61/33/1066856133.db2.gz GUIHNMMMGPEQNJ-IRLDBZIGSA-N 0 0 462.598 3.392 20 0 JGADRN COCCN1C[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](Oc3ccccc3)C2)CC1=O ZINC001301866288 1066857381 /nfs/dbraw/zinc/85/73/81/1066857381.db2.gz XVPFCGKUXCNGIA-IFMALSPDSA-N 0 0 469.630 3.409 20 0 JGADRN COCCN1C[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)CC1=O ZINC001301866209 1066857441 /nfs/dbraw/zinc/85/74/41/1066857441.db2.gz XKXKSFDRJPVRMZ-QFIPXVFZSA-N 0 0 482.673 3.305 20 0 JGADRN CS(=O)(=O)N1CCc2cc(C(=O)NCCc3c4ccccc4[nH]c3C(F)(F)F)ccc21 ZINC001302286059 1066857477 /nfs/dbraw/zinc/85/74/77/1066857477.db2.gz SQVWIRNTVMVTDW-UHFFFAOYSA-N 0 0 451.470 3.481 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CC(C)(C)c1cccc(OC)c1 ZINC001302286121 1066857547 /nfs/dbraw/zinc/85/75/47/1066857547.db2.gz FEAHYKKWJCRNLB-RDPSFJRHSA-N 0 0 499.656 3.436 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1OC ZINC001302286069 1066857560 /nfs/dbraw/zinc/85/75/60/1066857560.db2.gz CUHGDAYRANGBTF-ZJOUEHCJSA-N 0 0 487.601 3.162 20 0 JGADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCC[C@H]2C)C1 ZINC001301866533 1066857852 /nfs/dbraw/zinc/85/78/52/1066857852.db2.gz JWIOAZMTIVEXST-YLNUKYHNSA-N 0 0 461.557 3.051 20 0 JGADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCCC2)C1 ZINC001302286563 1066858650 /nfs/dbraw/zinc/85/86/50/1066858650.db2.gz HXXQDGZAWBGBHI-KRWDZBQOSA-N 0 0 455.563 3.219 20 0 JGADRN CC(C)(C)OC(=O)N[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H]2COCCO2)C[C@H]1CC1CC1 ZINC001302286503 1066858700 /nfs/dbraw/zinc/85/87/00/1066858700.db2.gz GHGRRIQPUCLKMA-CEXWTWQISA-N 0 0 463.623 3.121 20 0 JGADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001302286611 1066858729 /nfs/dbraw/zinc/85/87/29/1066858729.db2.gz JATOQKZLRFDKDE-QGZVFWFLSA-N 0 0 486.646 3.429 20 0 JGADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCCn2ccnc2C)C1 ZINC001301867422 1066859012 /nfs/dbraw/zinc/85/90/12/1066859012.db2.gz MEIHMNMFLFXQJR-HXUWFJFHSA-N 0 0 485.583 3.485 20 0 JGADRN COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)C/C(C)=C/c2ccccc2)CC1=O ZINC001301867359 1066859083 /nfs/dbraw/zinc/85/90/83/1066859083.db2.gz RZAOZHQRGGPQPE-DMYKLUSSSA-N 0 0 467.614 3.207 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001302286970 1066859782 /nfs/dbraw/zinc/85/97/82/1066859782.db2.gz OXKZWMLDTOZGIG-DSKINZAPSA-N 0 0 479.691 3.371 20 0 JGADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001301869070 1066860350 /nfs/dbraw/zinc/86/03/50/1066860350.db2.gz WGRKSFMZUINBIM-RBBKRZOGSA-N 0 0 457.623 3.081 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCSC1 ZINC001302287230 1066860351 /nfs/dbraw/zinc/86/03/51/1066860351.db2.gz RYUOCIJLBKHCRL-XWSJACJDSA-N 0 0 481.663 3.249 20 0 JGADRN COCCN1C[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)Cc2ccccn2)CC1=O ZINC001301869819 1066860864 /nfs/dbraw/zinc/86/08/64/1066860864.db2.gz ZVLTYDJLDVCAFO-QGZVFWFLSA-N 0 0 454.962 3.125 20 0 JGADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC(C)C)cc2)C1 ZINC001301869076 1066860892 /nfs/dbraw/zinc/86/08/92/1066860892.db2.gz RVQTZSQQBHHTAS-QHCPKHFHSA-N 0 0 462.598 3.452 20 0 JGADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2)C1 ZINC001302287343 1066861407 /nfs/dbraw/zinc/86/14/07/1066861407.db2.gz XAEAURCIUUOQLY-SFHVURJKSA-N 0 0 474.993 3.319 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(N(C)C(C)=O)CC2)n1Cc1cccc(CSC)c1 ZINC001302287594 1066862132 /nfs/dbraw/zinc/86/21/32/1066862132.db2.gz ZHVNQGLPCPQGHF-GMAHTHKFSA-N 0 0 487.670 3.361 20 0 JGADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001301870635 1066862021 /nfs/dbraw/zinc/86/20/21/1066862021.db2.gz WYLAYSOKEFLMFU-OAQYLSRUSA-N 0 0 495.653 3.425 20 0 JGADRN COCCN1C[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](C(C)C)C2)CC1=O ZINC001301870556 1066862049 /nfs/dbraw/zinc/86/20/49/1066862049.db2.gz FUBYEVJKSPMFFP-VQTJNVASSA-N 0 0 473.593 3.364 20 0 JGADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCSC2)C1 ZINC001302287737 1066862609 /nfs/dbraw/zinc/86/26/09/1066862609.db2.gz DOWGRKPKKYOQNV-UTBIRPSLSA-N 0 0 495.690 3.168 20 0 JGADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCc2cccc(F)c2)C1 ZINC001301870649 1066862652 /nfs/dbraw/zinc/86/26/52/1066862652.db2.gz XKDFGRHAVUJISU-LJQANCHMSA-N 0 0 456.591 3.368 20 0 JGADRN COCCN1C[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@](C)(OC)C2)CC1=O ZINC001301870607 1066862751 /nfs/dbraw/zinc/86/27/51/1066862751.db2.gz HEGIYYPSLFRFOK-NBGIEHNGSA-N 0 0 487.670 3.379 20 0 JGADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2ccccc2F)C1 ZINC001302288128 1066863807 /nfs/dbraw/zinc/86/38/07/1066863807.db2.gz HHUVYMVIWPGNQA-IBGZPJMESA-N 0 0 486.592 3.276 20 0 JGADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCCC3(C)C)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001302288244 1066864195 /nfs/dbraw/zinc/86/41/95/1066864195.db2.gz NWUWAGXSFGJRFH-IYBDPMFKSA-N 0 0 467.636 3.005 20 0 JGADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CSCCS2)C1 ZINC001302288337 1066864229 /nfs/dbraw/zinc/86/42/29/1066864229.db2.gz JWEAXKMUNKLUCE-ZWKOTPCHSA-N 0 0 476.672 3.216 20 0 JGADRN CC(=O)NC[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(N(C)C)nc2)C1 ZINC001301871207 1066864581 /nfs/dbraw/zinc/86/45/81/1066864581.db2.gz DYCRPATURJYNLX-QFIPXVFZSA-N 0 0 491.640 3.336 20 0 JGADRN 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IHZHEZCUBDQUHI-IBGZPJMESA-N 0 0 455.624 3.385 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1ccnn1 ZINC001304080362 1067125676 /nfs/dbraw/zinc/12/56/76/1067125676.db2.gz SVZYEZAKGALEKP-UHFFFAOYSA-N 0 0 476.408 3.129 20 0 JGADRN Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2ccccc2)cnn1C ZINC001304080908 1067126319 /nfs/dbraw/zinc/12/63/19/1067126319.db2.gz VSZCRRHUIVDDCY-UQBPGWFLSA-N 0 0 468.602 3.465 20 0 JGADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)C)cnn1C ZINC001304081145 1067127015 /nfs/dbraw/zinc/12/70/15/1067127015.db2.gz HZJNMBAAODTWLX-KRWDZBQOSA-N 0 0 457.554 3.008 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 ZINC001304081868 1067128160 /nfs/dbraw/zinc/12/81/60/1067128160.db2.gz ODAVPXYGHIIBMZ-CQSZACIVSA-N 0 0 480.660 3.423 20 0 JGADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCOCC2(C)C)cnn1C ZINC001304082073 1067128230 /nfs/dbraw/zinc/12/82/30/1067128230.db2.gz UBSVKILGXWFAGJ-LJQANCHMSA-N 0 0 485.608 3.346 20 0 JGADRN 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Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2Cc2ccc(S(C)(=O)=O)cc2)o1 ZINC001304308192 1067355769 /nfs/dbraw/zinc/35/57/69/1067355769.db2.gz ALVXJMYVLGMBRI-UHFFFAOYSA-N 0 0 499.637 3.382 20 0 JGADRN CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCS(C)(=O)=O ZINC001302747772 1067355975 /nfs/dbraw/zinc/35/59/75/1067355975.db2.gz QFGOUBYGGVWSON-OALUTQOASA-N 0 0 499.678 3.036 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)o1 ZINC001304308829 1067356492 /nfs/dbraw/zinc/35/64/92/1067356492.db2.gz CQPFPLLHDAMLHW-RCCFBDPRSA-N 0 0 461.563 3.001 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@]2(O)CCCC2(C)C)cc1Br ZINC001304308788 1067356528 /nfs/dbraw/zinc/35/65/28/1067356528.db2.gz CKAXLFISGOQRNU-KSFYIVLOSA-N 0 0 476.419 3.269 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCOC2)o1 ZINC001304309086 1067356785 /nfs/dbraw/zinc/35/67/85/1067356785.db2.gz CTYMKYJJXXRYRK-BXKMTCNYSA-N 0 0 475.590 3.128 20 0 JGADRN CC(C)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCc2cnn(C)n2)CC1 ZINC001302749967 1067356987 /nfs/dbraw/zinc/35/69/87/1067356987.db2.gz LGXFVCGPXSGPGP-UHFFFAOYSA-N 0 0 485.036 3.495 20 0 JGADRN CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(OCC(N)=O)c2)C1 ZINC001302749867 1067357007 /nfs/dbraw/zinc/35/70/07/1067357007.db2.gz LASHWEBHVWWGDH-INIZCTEOSA-N 0 0 487.402 3.430 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H]4CCOC4)C3)n2CC(=O)NC(C)C)cc1Br ZINC001304309588 1067357032 /nfs/dbraw/zinc/35/70/32/1067357032.db2.gz CJLLITJZKYKAHG-ZWKOTPCHSA-N 0 0 476.419 3.403 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@H]4CCOC4)C3)n2CC(=O)NC(C)C)cc1Br ZINC001304309585 1067357077 /nfs/dbraw/zinc/35/70/77/1067357077.db2.gz CJLLITJZKYKAHG-ROUUACIJSA-N 0 0 476.419 3.403 20 0 JGADRN CC(C)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001302751211 1067357720 /nfs/dbraw/zinc/35/77/20/1067357720.db2.gz ZBJIQZRAQFCYHM-HXUWFJFHSA-N 0 0 461.994 3.149 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCS(=O)(=O)N(C)C)cc1Br ZINC001304310368 1067357808 /nfs/dbraw/zinc/35/78/08/1067357808.db2.gz HEXIZRJAYUUPQO-HOCLYGCPSA-N 0 0 484.464 3.390 20 0 JGADRN CC(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCCS2(=O)=O)C1 ZINC001302752170 1067358185 /nfs/dbraw/zinc/35/81/85/1067358185.db2.gz JJEQUDUGBCTJOP-HNNXBMFYSA-N 0 0 455.987 3.255 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCCNS(C)(=O)=O)cc1Br ZINC001304311443 1067358838 /nfs/dbraw/zinc/35/88/38/1067358838.db2.gz LSJSJHPRHDAXKH-HOCLYGCPSA-N 0 0 484.464 3.438 20 0 JGADRN CSCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001302754044 1067359104 /nfs/dbraw/zinc/35/91/04/1067359104.db2.gz PUHRNIQTLDTGIE-SFHVURJKSA-N 0 0 466.449 3.372 20 0 JGADRN CSCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001302754514 1067359592 /nfs/dbraw/zinc/35/95/92/1067359592.db2.gz LTKIFDAODALSKH-ROUUACIJSA-N 0 0 451.662 3.334 20 0 JGADRN CSCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001302754548 1067359641 /nfs/dbraw/zinc/35/96/41/1067359641.db2.gz XIIHEDAZZLRRDP-MAUKXSAKSA-N 0 0 456.609 3.324 20 0 JGADRN CC(C)[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC(=O)N2)C1 ZINC001302755503 1067360281 /nfs/dbraw/zinc/36/02/81/1067360281.db2.gz CTKGCRJVECNWNJ-RBUKOAKNSA-N 0 0 460.623 3.154 20 0 JGADRN CSCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001302755336 1067360302 /nfs/dbraw/zinc/36/03/02/1067360302.db2.gz WDBDQJPYQAIOEQ-MRXNPFEDSA-N 0 0 454.641 3.053 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCS(=O)(=O)N(C)C)cc1Br ZINC001304312971 1067360188 /nfs/dbraw/zinc/36/01/88/1067360188.db2.gz SDBYPYFMMIMCKM-ZFWWWQNUSA-N 0 0 470.437 3.142 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCCc2cnn(C)n2)o1 ZINC001304313335 1067360369 /nfs/dbraw/zinc/36/03/69/1067360369.db2.gz WSRUPCHULKGJQB-FQEVSTJZSA-N 0 0 467.496 3.138 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCc2cc(Br)ccc2F)o1 ZINC001304313222 1067360501 /nfs/dbraw/zinc/36/05/01/1067360501.db2.gz VFJQRQLKPLOJCG-CQSZACIVSA-N 0 0 462.323 3.302 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@H]2CCOC[C@H]2C)o1 ZINC001304313527 1067360537 /nfs/dbraw/zinc/36/05/37/1067360537.db2.gz ZNVJXRYHESPGTE-RHSMWYFYSA-N 0 0 469.508 3.414 20 0 JGADRN CC(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001302756760 1067360998 /nfs/dbraw/zinc/36/09/98/1067360998.db2.gz LGVQPCLSWLORPD-OAQYLSRUSA-N 0 0 452.603 3.046 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC(=O)Nc2ccc(F)cc2)o1 ZINC001304313952 1067361182 /nfs/dbraw/zinc/36/11/82/1067361182.db2.gz DMNMAMFXKORLMZ-UHFFFAOYSA-N 0 0 468.533 3.365 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@H](COc4ccccc4)C3)n2CC(=O)NCC(F)(F)F)o1 ZINC001304313881 1067361240 /nfs/dbraw/zinc/36/12/40/1067361240.db2.gz BPLHVNGGQPSEQF-INIZCTEOSA-N 0 0 463.460 3.430 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2Cc2ccc(F)c(C)c2)o1 ZINC001304314264 1067361615 /nfs/dbraw/zinc/36/16/15/1067361615.db2.gz NSZUFXRXJXXEQW-UHFFFAOYSA-N 0 0 461.563 3.203 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2CCC(=O)NC(C)C)o1 ZINC001304314394 1067361966 /nfs/dbraw/zinc/36/19/66/1067361966.db2.gz CHBBOINDGGTWHK-UHFFFAOYSA-N 0 0 460.579 3.255 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2Cc2cccc(OCC(N)=O)c2)o1 ZINC001304314653 1067362210 /nfs/dbraw/zinc/36/22/10/1067362210.db2.gz IFYUENREMJETIA-FQEVSTJZSA-N 0 0 453.543 3.010 20 0 JGADRN CSCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001302758382 1067362388 /nfs/dbraw/zinc/36/23/88/1067362388.db2.gz UDSDCUSGEUSBCZ-SFHVURJKSA-N 0 0 459.616 3.164 20 0 JGADRN CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 ZINC001302760940 1067363119 /nfs/dbraw/zinc/36/31/19/1067363119.db2.gz SSBKZPLBCMDRHO-NRFANRHFSA-N 0 0 458.580 3.491 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCCOCc2ccccc2)o1 ZINC001304315535 1067363280 /nfs/dbraw/zinc/36/32/80/1067363280.db2.gz BJQCQFAGSXRERG-FQEVSTJZSA-N 0 0 458.584 3.467 20 0 JGADRN Cc1ccc(-c2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCC(=O)N(C)C)cc1Br ZINC001304315523 1067363315 /nfs/dbraw/zinc/36/33/15/1067363315.db2.gz BAWNLDBJJPALRP-UHFFFAOYSA-N 0 0 485.386 3.158 20 0 JGADRN CC(C)[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)Cc2ccccc2)C1 ZINC001302761566 1067363360 /nfs/dbraw/zinc/36/33/60/1067363360.db2.gz DGKHIEZEUHGHFT-QFIPXVFZSA-N 0 0 453.612 3.361 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(OC[C@@H]4CCCCO4)CC3)n2CC(=O)NCC(F)(F)F)o1 ZINC001304316196 1067363598 /nfs/dbraw/zinc/36/35/98/1067363598.db2.gz HKLYYTFAYWVPKK-KRWDZBQOSA-N 0 0 485.507 3.080 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCS(=O)(=O)CC2CC2)o1 ZINC001304316655 1067363868 /nfs/dbraw/zinc/36/38/68/1067363868.db2.gz MHNKZCOVQSCIMY-MRXNPFEDSA-N 0 0 476.521 3.219 20 0 JGADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCC(=O)NC(C)(C)C)o1 ZINC001304316447 1067364030 /nfs/dbraw/zinc/36/40/30/1067364030.db2.gz BSXXCSGWIIHFDC-UHFFFAOYSA-N 0 0 474.606 3.456 20 0 JGADRN CSCCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001302763300 1067364125 /nfs/dbraw/zinc/36/41/25/1067364125.db2.gz BNNQVAAVCQEHAT-RTWAWAEBSA-N 0 0 485.702 3.300 20 0 JGADRN Cc1ccc(-c2nnc(N3CCc4c(ccnc4N(C)C)C3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001304316698 1067364409 /nfs/dbraw/zinc/36/44/09/1067364409.db2.gz NZXQXXIUNKVXRN-UHFFFAOYSA-N 0 0 467.574 3.395 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccsc2Br)o1 ZINC001304316629 1067364464 /nfs/dbraw/zinc/36/44/64/1067364464.db2.gz MGGDHKFIVOBDMK-UHFFFAOYSA-N 0 0 480.388 3.190 20 0 JGADRN CSCCCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001302764451 1067364801 /nfs/dbraw/zinc/36/48/01/1067364801.db2.gz NFYQRCREXWOJGM-UHFFFAOYSA-N 0 0 458.617 3.190 20 0 JGADRN CSCCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001302764557 1067364871 /nfs/dbraw/zinc/36/48/71/1067364871.db2.gz BAQCDZOBZIXOHA-INIZCTEOSA-N 0 0 456.616 3.339 20 0 JGADRN CSCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001302765949 1067365658 /nfs/dbraw/zinc/36/56/58/1067365658.db2.gz AHZUOOZTXDGLPY-ROUUACIJSA-N 0 0 469.652 3.393 20 0 JGADRN Cc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](c2ccccc2Cl)N(C)C)o1 ZINC001304318215 1067365786 /nfs/dbraw/zinc/36/57/86/1067365786.db2.gz WISUZIMQEVLZJC-LPHOPBHVSA-N 0 0 478.018 3.426 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCNS(=O)(=O)c2ccccc2)o1 ZINC001304318404 1067365823 /nfs/dbraw/zinc/36/58/23/1067365823.db2.gz GYBNGSPFZYQPGC-INIZCTEOSA-N 0 0 465.526 3.307 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001304318201 1067365880 /nfs/dbraw/zinc/36/58/80/1067365880.db2.gz VSQCUYIQQPPKCU-UHFFFAOYSA-N 0 0 481.619 3.117 20 0 JGADRN CSCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001302766527 1067366015 /nfs/dbraw/zinc/36/60/15/1067366015.db2.gz AORSOROFNYMYPI-WMZHIEFXSA-N 0 0 488.677 3.140 20 0 JGADRN CSCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001302766678 1067366158 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/nfs/dbraw/zinc/53/35/97/1067533597.db2.gz XVKJKKKMFIJJRS-UHFFFAOYSA-N 0 0 484.620 3.113 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CCOc2ccccc2C)n1 ZINC001304452737 1067533702 /nfs/dbraw/zinc/53/37/02/1067533702.db2.gz WYQJRULMTNZWBN-RBUKOAKNSA-N 0 0 457.600 3.294 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2C[C@@H]2CCCS2)n1 ZINC001304452637 1067533739 /nfs/dbraw/zinc/53/37/39/1067533739.db2.gz WBEQROOIQXAWSS-AEFFLSMTSA-N 0 0 472.640 3.389 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001302962499 1067533789 /nfs/dbraw/zinc/53/37/89/1067533789.db2.gz XQWMXMOELLLLTN-DBXWQHBBSA-N 0 0 459.557 3.278 20 0 JGADRN COc1cccc(C2=NO[C@H](C(=O)NCCN=[S@](=O)(c3ccccc3)C(F)(F)F)C2)c1 ZINC001302962736 1067534072 /nfs/dbraw/zinc/53/40/72/1067534072.db2.gz GJTIEPUBBXOVOA-DRKIFQHWSA-N 0 0 455.458 3.351 20 0 JGADRN CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001302964174 1067534395 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RZFRRWYGOLRRQE-UHFFFAOYSA-N 0 0 489.624 3.284 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2CCCN2CCOC2=O)n1 ZINC001304453725 1067535206 /nfs/dbraw/zinc/53/52/06/1067535206.db2.gz VRFVKRJXKCDKRB-HXUWFJFHSA-N 0 0 491.596 3.147 20 0 JGADRN CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001302965112 1067535423 /nfs/dbraw/zinc/53/54/23/1067535423.db2.gz QFKKHDJTSPNDEH-UHFFFAOYSA-N 0 0 452.628 3.202 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CCCc2cnn(C)n2)n1 ZINC001304454436 1067535515 /nfs/dbraw/zinc/53/55/15/1067535515.db2.gz MFPOTOPPCDJQSA-UHFFFAOYSA-N 0 0 471.363 3.402 20 0 JGADRN CC(C)Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001302965518 1067535752 /nfs/dbraw/zinc/53/57/52/1067535752.db2.gz FPBOGNTYLOVSQQ-PKOBYXMFSA-N 0 0 467.586 3.265 20 0 JGADRN CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCc1ccc(Br)s1 ZINC001302965867 1067535947 /nfs/dbraw/zinc/53/59/47/1067535947.db2.gz JYAZABBOCAEBIM-AWEZNQCLSA-N 0 0 490.493 3.013 20 0 JGADRN CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001302966243 1067536414 /nfs/dbraw/zinc/53/64/14/1067536414.db2.gz OTQPYBNPMAAUFY-IBGZPJMESA-N 0 0 484.626 3.182 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001304455646 1067536599 /nfs/dbraw/zinc/53/65/99/1067536599.db2.gz VONVUDXMNOPLFU-MRXNPFEDSA-N 0 0 493.008 3.359 20 0 JGADRN CN(CC(=O)N1CCc2c(cccc2NC(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccccc1 ZINC001304456015 1067536776 /nfs/dbraw/zinc/53/67/76/1067536776.db2.gz QSCSTWYWYGEULW-UHFFFAOYSA-N 0 0 459.568 3.239 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCN2CCOCC2(C)C)n1 ZINC001304456420 1067537099 /nfs/dbraw/zinc/53/70/99/1067537099.db2.gz HZKROVUSIQZETA-UHFFFAOYSA-N 0 0 492.550 3.148 20 0 JGADRN Fc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)CC2)c(F)c1F ZINC001302967553 1067537449 /nfs/dbraw/zinc/53/74/49/1067537449.db2.gz XMOVVGPOEFYVFF-AWEZNQCLSA-N 0 0 463.426 3.126 20 0 JGADRN Fc1cccc(OCCn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC001302968467 1067537582 /nfs/dbraw/zinc/53/75/82/1067537582.db2.gz BNQMXJDUGOXZME-OAHLLOKOSA-N 0 0 475.462 3.023 20 0 JGADRN Fc1cccc(OCCn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC001302968466 1067537614 /nfs/dbraw/zinc/53/76/14/1067537614.db2.gz BNQMXJDUGOXZME-HNNXBMFYSA-N 0 0 475.462 3.023 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CCCc2cnn(C)c2)n1 ZINC001304456844 1067537534 /nfs/dbraw/zinc/53/75/34/1067537534.db2.gz SKPJGCJWKUJSCV-UHFFFAOYSA-N 0 0 479.610 3.055 20 0 JGADRN Fc1cccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CC(F)(F)Br)CC2)c1F ZINC001302968788 1067537929 /nfs/dbraw/zinc/53/79/29/1067537929.db2.gz HERXHWNZGCUXGH-GFCCVEGCSA-N 0 0 478.288 3.375 20 0 JGADRN Fc1ccc(OCCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C(F)(F)F)C2)cc1F ZINC001302968797 1067537950 /nfs/dbraw/zinc/53/79/50/1067537950.db2.gz IGBWBIZVHAETEY-SFHVURJKSA-N 0 0 469.414 3.389 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCN2CCOC[C@@H]2C)n1 ZINC001304458513 1067538193 /nfs/dbraw/zinc/53/81/93/1067538193.db2.gz XSXNFJDBXQVLLL-HNNXBMFYSA-N 0 0 481.548 3.481 20 0 JGADRN Fc1cccc(OCCn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC001302969383 1067538259 /nfs/dbraw/zinc/53/82/59/1067538259.db2.gz NMTBVUSKLJNZNK-MRXNPFEDSA-N 0 0 489.489 3.413 20 0 JGADRN Fc1ccc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCCOC(F)F)CC2)nc1 ZINC001302969258 1067538295 /nfs/dbraw/zinc/53/82/95/1067538295.db2.gz NCULNPRNCNVAQG-UHFFFAOYSA-N 0 0 467.883 3.484 20 0 JGADRN Fc1cccc(Cl)c1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)F)CC1 ZINC001302969596 1067538307 /nfs/dbraw/zinc/53/83/07/1067538307.db2.gz OBPSMNHBWCDTOZ-UHFFFAOYSA-N 0 0 450.896 3.492 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@H]2CCOc3ccccc32)n1 ZINC001304459116 1067538590 /nfs/dbraw/zinc/53/85/90/1067538590.db2.gz DQUYMYSHBDUHKH-GOSISDBHSA-N 0 0 455.584 3.086 20 0 JGADRN Fc1cccc(CN2CCN(c3nnc(-c4ccccn4)n3CCCOCC(F)F)CC2)c1 ZINC001302970522 1067538859 /nfs/dbraw/zinc/53/88/59/1067538859.db2.gz 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20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCCc3cc(-c4ccccc4)no3)n2CCS(C)(=O)=O)n1 ZINC001304459759 1067539398 /nfs/dbraw/zinc/53/93/98/1067539398.db2.gz BTNCXWULDBJDJV-UHFFFAOYSA-N 0 0 480.594 3.417 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(C)n3)nnc2N(C)CCN2CCOC(C)(C)C2)c(C)o1 ZINC001304459701 1067539494 /nfs/dbraw/zinc/53/94/94/1067539494.db2.gz MJYXRJNENNDWOY-AREMUKBSSA-N 0 0 482.629 3.313 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H](c2cccs2)N2CCCC2)n1 ZINC001304460496 1067539842 /nfs/dbraw/zinc/53/98/42/1067539842.db2.gz SZWMHIDNMDBGNT-FQEVSTJZSA-N 0 0 488.683 3.418 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](c3cnn(C)c3)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001302973998 1067540625 /nfs/dbraw/zinc/54/06/25/1067540625.db2.gz CIOHLJRPKJVXTO-OAQYLSRUSA-N 0 0 485.633 3.355 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCc3nccs3)n2C[C@H](N2CCOCC2)C(F)(F)F)n1 ZINC001304462049 1067540730 /nfs/dbraw/zinc/54/07/30/1067540730.db2.gz WQDSOLXPPAOURQ-KRWDZBQOSA-N 0 0 481.548 3.047 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1CC(=O)NCC(F)F ZINC001302975020 1067541267 /nfs/dbraw/zinc/54/12/67/1067541267.db2.gz ILYOGELEFQMFPJ-MRXNPFEDSA-N 0 0 486.361 3.198 20 0 JGADRN Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@H](C)Oc2ccc(F)cc2)n1 ZINC001304463153 1067541363 /nfs/dbraw/zinc/54/13/63/1067541363.db2.gz IFRSAONUDSIOAB-KRWDZBQOSA-N 0 0 473.574 3.269 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302975098 1067541704 /nfs/dbraw/zinc/54/17/04/1067541704.db2.gz IYHRFHGFNPSFPY-WOJBJXKFSA-N 0 0 475.638 3.128 20 0 JGADRN Cc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)n1 ZINC001304463489 1067541761 /nfs/dbraw/zinc/54/17/61/1067541761.db2.gz FIYSNEZTYKYBOY-SFHVURJKSA-N 0 0 482.551 3.305 20 0 JGADRN Cc1cccc(-c2nnc(N(CCc3cccc(F)c3)C3CC3)n2CC(=O)NCC(F)F)n1 ZINC001304463510 1067541803 /nfs/dbraw/zinc/54/18/03/1067541803.db2.gz LQWLCCXUVCRQCF-UHFFFAOYSA-N 0 0 458.488 3.380 20 0 JGADRN 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Cc1cnn(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@H](C)C2)c1 ZINC001304607441 1067674585 /nfs/dbraw/zinc/67/45/85/1067674585.db2.gz ZVORNMQBGCCMNY-MOPGFXCFSA-N 0 0 459.595 3.170 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001304607604 1067674603 /nfs/dbraw/zinc/67/46/03/1067674603.db2.gz BSVLYJRXLMAVEU-RDJZCZTQSA-N 0 0 455.588 3.357 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCCN(c3nccs3)CC2)s1 ZINC001304607814 1067675247 /nfs/dbraw/zinc/67/52/47/1067675247.db2.gz GLIUYLZDHONGQT-HNNXBMFYSA-N 0 0 474.660 3.158 20 0 JGADRN Cc1cn2c(n1)[C@H](Cn1c([C@@H]3CCO[C@H]3C(C)(C)C)nnc1N(C)CCCS(C)(=O)=O)CCC2 ZINC001304607669 1067675254 /nfs/dbraw/zinc/67/52/54/1067675254.db2.gz CXRRWNDVSNMGAQ-XUVXKRRUSA-N 0 0 492.690 3.150 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)s1 ZINC001304608153 1067675586 /nfs/dbraw/zinc/67/55/86/1067675586.db2.gz AXULTELKVUIBTE-WMZOPIPTSA-N 0 0 474.656 3.279 20 0 JGADRN Cc1cn2c(n1)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)CCC2 ZINC001304608234 1067676019 /nfs/dbraw/zinc/67/60/19/1067676019.db2.gz MCLASNGEQLFCMV-DLBZAZTESA-N 0 0 481.567 3.454 20 0 JGADRN Cc1cnc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc([S@](C)=O)cc2)s1 ZINC001304608296 1067676034 /nfs/dbraw/zinc/67/60/34/1067676034.db2.gz NBJGGTNRUPXIFD-YPSMLTEGSA-N 0 0 474.656 3.359 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3cccc(F)c3)CC2)s1 ZINC001304608588 1067676149 /nfs/dbraw/zinc/67/61/49/1067676149.db2.gz OZYBPKFZIVJVNC-KRWDZBQOSA-N 0 0 485.633 3.446 20 0 JGADRN OC1(C(F)(F)F)CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001303136086 1067676483 /nfs/dbraw/zinc/67/64/83/1067676483.db2.gz LYPLAQHSDOFHLT-HNNXBMFYSA-N 0 0 491.461 3.153 20 0 JGADRN O=S1CCN(c2nnc(COc3ccccc3F)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001303135842 1067676798 /nfs/dbraw/zinc/67/67/98/1067676798.db2.gz YQMUJCHDKFGTNM-UHFFFAOYSA-N 0 0 499.399 3.379 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)[C@@H](C)CS(C)(=O)=O)s1 ZINC001304609907 1067676939 /nfs/dbraw/zinc/67/69/39/1067676939.db2.gz KZXDHEAUTNICDP-GJZGRUSLSA-N 0 0 491.639 3.154 20 0 JGADRN Cc1cnc([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3cc(F)cc(F)c3C2)s1 ZINC001304609482 1067676955 /nfs/dbraw/zinc/67/69/55/1067676955.db2.gz UMMMXVPKTFTATH-TZMCWYRMSA-N 0 0 496.609 3.298 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3cc(F)cc(F)c3C2)s1 ZINC001304609475 1067676973 /nfs/dbraw/zinc/67/69/73/1067676973.db2.gz UMMMXVPKTFTATH-GXTWGEPZSA-N 0 0 496.609 3.298 20 0 JGADRN OC1(C(F)(F)F)CCN(c2nnc(CC3CC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001303136023 1067677280 /nfs/dbraw/zinc/67/72/80/1067677280.db2.gz JOKQSJLXFMAXFE-UHFFFAOYSA-N 0 0 469.474 3.399 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(F)cc2)s1 ZINC001304610091 1067677497 /nfs/dbraw/zinc/67/74/97/1067677497.db2.gz YSUVNOYFDFLPGS-DZGCQCFKSA-N 0 0 466.608 3.232 20 0 JGADRN 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NGHMJDXYUBUSBN-GOSISDBHSA-N 0 0 479.585 3.315 20 0 JGADRN Cc1coc(C)c1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCOCC1 ZINC001304614112 1067681267 /nfs/dbraw/zinc/68/12/67/1067681267.db2.gz KWTFFIHJCQBBMH-UHFFFAOYSA-N 0 0 487.626 3.316 20 0 JGADRN CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCOC[C@H]1C ZINC001303142906 1067681376 /nfs/dbraw/zinc/68/13/76/1067681376.db2.gz UFKXEOGSQXRCEP-QGZVFWFLSA-N 0 0 466.424 3.433 20 0 JGADRN Cc1coc(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001304614843 1067682120 /nfs/dbraw/zinc/68/21/20/1067682120.db2.gz URQHCFXMZQSDPA-AWEZNQCLSA-N 0 0 461.364 3.386 20 0 JGADRN Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001304614658 1067682145 /nfs/dbraw/zinc/68/21/45/1067682145.db2.gz REEHWSMLGHAUJZ-DOTOQJQBSA-N 0 0 491.618 3.037 20 0 JGADRN OCc1cn(CCCn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC001303143745 1067682255 /nfs/dbraw/zinc/68/22/55/1067682255.db2.gz IAWHNAHFFGQEFN-LJQANCHMSA-N 0 0 477.535 3.406 20 0 JGADRN Cc1coc(C)c1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001304615186 1067682673 /nfs/dbraw/zinc/68/26/73/1067682673.db2.gz ZXYVMCYDFWLCSK-GOSISDBHSA-N 0 0 472.590 3.218 20 0 JGADRN Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001304615158 1067682722 /nfs/dbraw/zinc/68/27/22/1067682722.db2.gz ZKOXSOVAADWSIF-IRXDYDNUSA-N 0 0 492.671 3.091 20 0 JGADRN Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001304615156 1067682750 /nfs/dbraw/zinc/68/27/50/1067682750.db2.gz ZKOXSOVAADWSIF-DLBZAZTESA-N 0 0 492.671 3.091 20 0 JGADRN O[C@H]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001303143903 1067682923 /nfs/dbraw/zinc/68/29/23/1067682923.db2.gz OHIDHSYVOCVSCP-IRXDYDNUSA-N 0 0 471.499 3.232 20 0 JGADRN OCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCn2cc(Br)cn2)CC1 ZINC001303144385 1067683239 /nfs/dbraw/zinc/68/32/39/1067683239.db2.gz PQZWQRHCTPGRBY-SFHVURJKSA-N 0 0 467.412 3.168 20 0 JGADRN 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CC(C)(C)[C@]1(C)CN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccc(F)cc2)CCO1 ZINC001303880746 1068518525 /nfs/dbraw/zinc/51/85/25/1068518525.db2.gz KNWLVWAVJSICHA-DQEYMECFSA-N 0 0 473.593 3.202 20 0 JGADRN CC[C@@](C)(O)Cn1c(N2CCc3cc(OC)c(OC)cc3CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305310058 1068518842 /nfs/dbraw/zinc/51/88/42/1068518842.db2.gz JKGUDABVNSMZNL-CLJLJLNGSA-N 0 0 488.629 3.102 20 0 JGADRN CC(C)(C)[C@]1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C2CC2)CCO1 ZINC001303880880 1068518989 /nfs/dbraw/zinc/51/89/89/1068518989.db2.gz KSOXWSSMYPMXPA-RPWUZVMVSA-N 0 0 476.643 3.151 20 0 JGADRN CC[C@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001305310114 1068519086 /nfs/dbraw/zinc/51/90/86/1068519086.db2.gz JQIYVQDWTPVPHF-BCHFMIIMSA-N 0 0 487.645 3.405 20 0 JGADRN CC[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCCN(c2nccs2)CC1 ZINC001305309932 1068519115 /nfs/dbraw/zinc/51/91/15/1068519115.db2.gz CLRPGDHKNVAZGI-QHCPKHFHSA-N 0 0 456.616 3.234 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1nncn1C ZINC001305309908 1068519155 /nfs/dbraw/zinc/51/91/55/1068519155.db2.gz CFIFUYAZCUYJNY-KHOMTPLRSA-N 0 0 480.617 3.414 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001305310303 1068519618 /nfs/dbraw/zinc/51/96/18/1068519618.db2.gz DPYBKZXBBBUZNF-LLJLJFOGSA-N 0 0 498.657 3.062 20 0 JGADRN C[C@@](O)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)F)CC1)c1ccsc1 ZINC001303881429 1068519892 /nfs/dbraw/zinc/51/98/92/1068519892.db2.gz NXYYFHLTLVEZOE-HXUWFJFHSA-N 0 0 468.961 3.350 20 0 JGADRN C[C@](O)(CCn1c(C2CC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001303881700 1068519909 /nfs/dbraw/zinc/51/99/09/1068519909.db2.gz YLMPOHANZRWJLK-QFIPXVFZSA-N 0 0 465.520 3.348 20 0 JGADRN C[C@](O)(Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C(N)=O)CC1)c1cccs1 ZINC001303881685 1068519975 /nfs/dbraw/zinc/51/99/75/1068519975.db2.gz PQDTYBAPHFJXJB-IBGZPJMESA-N 0 0 496.456 3.440 20 0 JGADRN CC[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305310224 1068519980 /nfs/dbraw/zinc/51/99/80/1068519980.db2.gz VJXAWHDQVTYCPQ-OYRDERLMSA-N 0 0 487.601 3.445 20 0 JGADRN CC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305310669 1068520385 /nfs/dbraw/zinc/52/03/85/1068520385.db2.gz LVZLILLRLGFNPA-QMHKHESXSA-N 0 0 463.554 3.261 20 0 JGADRN CC[C@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001305311035 1068520940 /nfs/dbraw/zinc/52/09/40/1068520940.db2.gz MPIPZAMZIXNHPX-DEOSSOPVSA-N 0 0 454.575 3.144 20 0 JGADRN C[C@](O)(Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001303882471 1068520951 /nfs/dbraw/zinc/52/09/51/1068520951.db2.gz WTHMXDQXZFLDBW-AOMKIAJQSA-N 0 0 476.419 3.351 20 0 JGADRN C[C@@](O)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001303882479 1068520974 /nfs/dbraw/zinc/52/09/74/1068520974.db2.gz WXZZCLKRBYLLPQ-HRAATJIYSA-N 0 0 470.998 3.302 20 0 JGADRN C[C@@](O)(Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001303882555 1068521357 /nfs/dbraw/zinc/52/13/57/1068521357.db2.gz YIMJISCIAMSQSD-VGOFRKELSA-N 0 0 450.580 3.039 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 ZINC001305311266 1068521467 /nfs/dbraw/zinc/52/14/67/1068521467.db2.gz HEQRHPSLJXRZBW-IUKKYPGJSA-N 0 0 463.648 3.069 20 0 JGADRN CC[C@@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001305311296 1068521526 /nfs/dbraw/zinc/52/15/26/1068521526.db2.gz UJYKDYONTWZVGG-AREMUKBSSA-N 0 0 481.597 3.339 20 0 JGADRN C[C@](O)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001303882482 1068521475 /nfs/dbraw/zinc/52/14/75/1068521475.db2.gz WXZZCLKRBYLLPQ-KKSFZXQISA-N 0 0 470.998 3.302 20 0 JGADRN CC[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001305311623 1068521909 /nfs/dbraw/zinc/52/19/09/1068521909.db2.gz NNVBKCSUUQBJRT-RXPSNABZSA-N 0 0 487.649 3.012 20 0 JGADRN C[C@@](O)(Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC001303883514 1068521861 /nfs/dbraw/zinc/52/18/61/1068521861.db2.gz DHBGDQVIBREIIE-MGPUTAFESA-N 0 0 473.927 3.027 20 0 JGADRN C[C@](O)(Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccsc1 ZINC001303883422 1068521916 /nfs/dbraw/zinc/52/19/16/1068521916.db2.gz AFDITCFTBNYALI-MWTRTKDXSA-N 0 0 457.575 3.069 20 0 JGADRN C[C@@](O)(Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1)c1cccs1 ZINC001303884088 1068522315 /nfs/dbraw/zinc/52/23/15/1068522315.db2.gz LDSHHXUDMOHCCS-YADARESESA-N 0 0 453.612 3.124 20 0 JGADRN C[C@](O)(Cn1c(CC2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CCCCC1 ZINC001303883571 1068522415 /nfs/dbraw/zinc/52/24/15/1068522415.db2.gz FGZBPTVUDYOLIH-QHCPKHFHSA-N 0 0 452.665 3.356 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001305311951 1068522697 /nfs/dbraw/zinc/52/26/97/1068522697.db2.gz ILAVPEDGAGTPID-JTWUUNPKSA-N 0 0 455.650 3.088 20 0 JGADRN CC[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001305312127 1068522784 /nfs/dbraw/zinc/52/27/84/1068522784.db2.gz JHQLCQJIDUYHCP-PXDATVDWSA-N 0 0 467.618 3.186 20 0 JGADRN CC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001305312244 1068522804 /nfs/dbraw/zinc/52/28/04/1068522804.db2.gz LRFPKTGRYCXGMT-CPJSRVTESA-N 0 0 452.603 3.437 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccsc1 ZINC001305311953 1068522823 /nfs/dbraw/zinc/52/28/23/1068522823.db2.gz ILAVPEDGAGTPID-NVALYEJGSA-N 0 0 455.650 3.088 20 0 JGADRN C[C@](O)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1)c1cccs1 ZINC001303884920 1068522821 /nfs/dbraw/zinc/52/28/21/1068522821.db2.gz RQQHJQMZOMBYBB-WNSKOXEYSA-N 0 0 475.565 3.208 20 0 JGADRN C[C@@](O)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(S(C)(=O)=O)CC1)c1cccs1 ZINC001303885642 1068523391 /nfs/dbraw/zinc/52/33/91/1068523391.db2.gz YQJVCGATSXBCSR-JOCHJYFZSA-N 0 0 496.605 3.130 20 0 JGADRN CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001305312704 1068524163 /nfs/dbraw/zinc/52/41/63/1068524163.db2.gz LFHZXNPBGJDBCH-IMWIBFENSA-N 0 0 475.638 3.040 20 0 JGADRN CC[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001305312680 1068524173 /nfs/dbraw/zinc/52/41/73/1068524173.db2.gz KYZRUZDNRGBAJH-UTKZUKDTSA-N 0 0 455.525 3.133 20 0 JGADRN C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCCC1 ZINC001303886887 1068524192 /nfs/dbraw/zinc/52/41/92/1068524192.db2.gz CLACULFJHAVWCD-IRXDYDNUSA-N 0 0 468.595 3.122 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001305312753 1068524673 /nfs/dbraw/zinc/52/46/73/1068524673.db2.gz KGXHIRLCLWJDNU-OFHLLDISSA-N 0 0 457.619 3.499 20 0 JGADRN C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCc2sccc2C1 ZINC001303887092 1068524702 /nfs/dbraw/zinc/52/47/02/1068524702.db2.gz FGSYDEYKKDHPOT-SJORKVTESA-N 0 0 486.617 3.377 20 0 JGADRN C[C@H](O)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001303887266 1068524902 /nfs/dbraw/zinc/52/49/02/1068524902.db2.gz HISYYRBVMUORAU-PGRDOPGGSA-N 0 0 478.597 3.469 20 0 JGADRN C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 ZINC001303887548 1068525324 /nfs/dbraw/zinc/52/53/24/1068525324.db2.gz LYUCTEKGMVRHLS-JTSKRJEESA-N 0 0 485.526 3.102 20 0 JGADRN C[C@@H](O)c1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C2CC2)cc1 ZINC001303887472 1068525556 /nfs/dbraw/zinc/52/55/56/1068525556.db2.gz JZCPNTAUVJQEDP-UZLBHIALSA-N 0 0 457.575 3.287 20 0 JGADRN CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001305313310 1068525617 /nfs/dbraw/zinc/52/56/17/1068525617.db2.gz MDLBVJCYQRDPQT-RLSLOFABSA-N 0 0 489.665 3.430 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1CCN1CC=CCC1 ZINC001303887760 1068525963 /nfs/dbraw/zinc/52/59/63/1068525963.db2.gz MGDUPOHGWDDYFR-FHWLQOOXSA-N 0 0 479.622 3.077 20 0 JGADRN C[C@](O)(Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1cccs1 ZINC001303888373 1068526551 /nfs/dbraw/zinc/52/65/51/1068526551.db2.gz QZTLJTLHYGRWLD-KHYOSLBOSA-N 0 0 460.522 3.299 20 0 JGADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCCS(C)(=O)=O ZINC001303888168 1068526593 /nfs/dbraw/zinc/52/65/93/1068526593.db2.gz PPMQLBSIYRUPNO-UZLBHIALSA-N 0 0 490.605 3.239 20 0 JGADRN C[C@@](O)(Cn1c(-c2cccnc2)nnc1N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC001303888749 1068526911 /nfs/dbraw/zinc/52/69/11/1068526911.db2.gz UCINMENREQIAFY-HXUWFJFHSA-N 0 0 466.533 3.384 20 0 JGADRN C[C@@H](O)c1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CC2COC(C)(C)OC2)cc1 ZINC001303888812 1068527046 /nfs/dbraw/zinc/52/70/46/1068527046.db2.gz VKIJLUBAVDUPON-GOSISDBHSA-N 0 0 451.571 3.201 20 0 JGADRN CC[C@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001305314029 1068527088 /nfs/dbraw/zinc/52/70/88/1068527088.db2.gz UOBLRDPKQHZMLT-DEOSSOPVSA-N 0 0 487.004 3.402 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001305314180 1068527388 /nfs/dbraw/zinc/52/73/88/1068527388.db2.gz NTSIKCVRUODWTJ-VOIUYBSRSA-N 0 0 468.558 3.073 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001305314177 1068527539 /nfs/dbraw/zinc/52/75/39/1068527539.db2.gz NTSIKCVRUODWTJ-FYSMJZIKSA-N 0 0 468.558 3.073 20 0 JGADRN C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CCCCC1 ZINC001303889444 1068527827 /nfs/dbraw/zinc/52/78/27/1068527827.db2.gz WTYWUFFWYCEJEK-JKSBSHDWSA-N 0 0 487.567 3.008 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCOC[C@H]2C1 ZINC001305314357 1068527875 /nfs/dbraw/zinc/52/78/75/1068527875.db2.gz OLZZZXBMOFLQTF-YRWQMTPXSA-N 0 0 471.646 3.353 20 0 JGADRN C[C@H](O)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC001303889568 1068528147 /nfs/dbraw/zinc/52/81/47/1068528147.db2.gz DOAAPSUWUDJAGH-REWPJTCUSA-N 0 0 471.646 3.416 20 0 JGADRN C[C@@](O)(Cn1c(COc2ccccc2F)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)C1CC1 ZINC001303889881 1068528194 /nfs/dbraw/zinc/52/81/94/1068528194.db2.gz IOIHFZPBOYWMPA-JOCHJYFZSA-N 0 0 499.509 3.052 20 0 JGADRN C[C@](O)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1cccs1 ZINC001303889769 1068528222 /nfs/dbraw/zinc/52/82/22/1068528222.db2.gz GPVGMMAUJABXJN-HJPURHCSSA-N 0 0 473.574 3.057 20 0 JGADRN C[C@@](O)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)c1cccs1 ZINC001303889772 1068528232 /nfs/dbraw/zinc/52/82/32/1068528232.db2.gz GPVGMMAUJABXJN-WAIKUNEKSA-N 0 0 473.574 3.057 20 0 JGADRN C[C@](O)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)c1cccs1 ZINC001303889770 1068528282 /nfs/dbraw/zinc/52/82/82/1068528282.db2.gz GPVGMMAUJABXJN-MWTRTKDXSA-N 0 0 473.574 3.057 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001305314738 1068528390 /nfs/dbraw/zinc/52/83/90/1068528390.db2.gz PZKCEQBBONOHLV-IPRDPGLQSA-N 0 0 483.654 3.245 20 0 JGADRN 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CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@](C)(OC)C1CC1 ZINC001305771992 1069249338 /nfs/dbraw/zinc/24/93/38/1069249338.db2.gz RAJNTWNYCSAPHZ-CLOONOSVSA-N 0 0 476.666 3.143 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@](C)(OC)C1CC1 ZINC001305771997 1069249430 /nfs/dbraw/zinc/24/94/30/1069249430.db2.gz RAJNTWNYCSAPHZ-UQBPGWFLSA-N 0 0 476.666 3.143 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1Cc1conc1COC ZINC001305772212 1069250095 /nfs/dbraw/zinc/25/00/95/1069250095.db2.gz VTDLGILFBIZDPN-NRFANRHFSA-N 0 0 468.558 3.426 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](COC)C2)n1Cc1ccc2c(c1)OCCCO2 ZINC001305772723 1069251844 /nfs/dbraw/zinc/25/18/44/1069251844.db2.gz UXZVSBIWHWFOPL-IBGZPJMESA-N 0 0 471.602 3.269 20 0 JGADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(Cl)cc1 ZINC001305773292 1069252636 /nfs/dbraw/zinc/25/26/36/1069252636.db2.gz MYYVXXHIOVICER-IBGZPJMESA-N 0 0 482.050 3.302 20 0 JGADRN 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COc1cccc(CN2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(N)c4)CC[C@@H]3S2(=O)=O)c1 ZINC001164803322 721592808 /nfs/dbraw/zinc/59/28/08/721592808.db2.gz HMUINEABTUNZDK-BEFAXECRSA-N 0 0 486.972 3.301 20 0 JGADRN O=C1CO[C@@]2(CN1c1ccsc1)COCCN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164796035 721593604 /nfs/dbraw/zinc/59/36/04/721593604.db2.gz ARSRIZHKENGZPB-INIZCTEOSA-N 0 0 465.309 3.029 20 0 JGADRN O=C1CO[C@]2(CN1c1ccsc1)COCCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164799493 721594536 /nfs/dbraw/zinc/59/45/36/721594536.db2.gz MLJQVMHLVNEHHO-LJQANCHMSA-N 0 0 497.911 3.030 20 0 JGADRN O=C([C@@H]1C[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)c(Cl)nc2Cl)O1)N1CCOCC1 ZINC001164802059 721596289 /nfs/dbraw/zinc/59/62/89/721596289.db2.gz SPOFGRPTKOIYMB-AVGNSLFASA-N 0 0 456.704 3.182 20 0 JGADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)n1 ZINC001164803549 721596486 /nfs/dbraw/zinc/59/64/86/721596486.db2.gz WUHRNXCZDDMMBR-ACRUOGEOSA-N 0 0 493.633 3.015 20 0 JGADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@H]43)c(Cl)nn2)cc1 ZINC001164797281 721596985 /nfs/dbraw/zinc/59/69/85/721596985.db2.gz FYYMQICABRPQMH-HSALFYBXSA-N 0 0 478.927 3.245 20 0 JGADRN O=C([C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)O1)N1CCOCC1 ZINC001164797665 721597152 /nfs/dbraw/zinc/59/71/52/721597152.db2.gz HKJKHDGMJSGKEY-NJAFHUGGSA-N 0 0 453.873 3.135 20 0 JGADRN O=C(N[C@@H]1CN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001164803599 721597778 /nfs/dbraw/zinc/59/77/78/721597778.db2.gz XPDITISFWFOGHF-MISYRCLQSA-N 0 0 471.895 3.371 20 0 JGADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@@H]43)c(Cl)nn2)c1 ZINC001164801134 721599505 /nfs/dbraw/zinc/59/95/05/721599505.db2.gz NYNHBIFLMJFXMX-XPGWFJOJSA-N 0 0 486.910 3.074 20 0 JGADRN Cc1cccc(CN2CCO[C@@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC[C@H]3C2=O)n1 ZINC001164805263 721602016 /nfs/dbraw/zinc/60/20/16/721602016.db2.gz ZLNYJIZJYVTRDY-HUUCEWRRSA-N 0 0 472.323 3.286 20 0 JGADRN Cc1cccc(CN2CCO[C@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC[C@@H]3C2=O)n1 ZINC001164805260 721602045 /nfs/dbraw/zinc/60/20/45/721602045.db2.gz ZLNYJIZJYVTRDY-GJZGRUSLSA-N 0 0 472.323 3.286 20 0 JGADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C(=O)N(Cc3cccc(C)n3)CCO[C@H]2C1 ZINC001164797925 721602387 /nfs/dbraw/zinc/60/23/87/721602387.db2.gz CVXBQSUSNMPFTL-AEFFLSMTSA-N 0 0 494.926 3.024 20 0 JGADRN Cc1cccc(CN2CCO[C@@H]3CN(C(F)(F)COc4ccnc(Cl)c4)CC[C@H]3C2=O)n1 ZINC001164801249 721602405 /nfs/dbraw/zinc/60/24/05/721602405.db2.gz OZSJCQRVXGWVOR-RTBURBONSA-N 0 0 466.916 3.160 20 0 JGADRN Cc1cccc(CN2CCO[C@@H]3CN(C(F)(F)c4cc(Cl)ncc4F)CC[C@H]3C2=O)n1 ZINC001164802666 721602467 /nfs/dbraw/zinc/60/24/67/721602467.db2.gz SIUGTJGBOHUMQT-CRAIPNDOSA-N 0 0 454.880 3.376 20 0 JGADRN Cc1cccc(CN2CCO[C@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CC[C@@H]3C2=O)n1 ZINC001164798285 721602599 /nfs/dbraw/zinc/60/25/99/721602599.db2.gz FKSWVQTYLREWHJ-VXKWHMMOSA-N 0 0 470.017 3.288 20 0 JGADRN COc1ccc(C(F)(F)N2CC[C@H]3C(=O)N(Cc4cccc(C)n4)CCO[C@H]3C2)nc1Cl ZINC001164804440 721602663 /nfs/dbraw/zinc/60/26/63/721602663.db2.gz YOFKYANMPMCRDH-AEFFLSMTSA-N 0 0 466.916 3.246 20 0 JGADRN Cc1cccc(CN2CCO[C@@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC[C@@H]3C2=O)n1 ZINC001164798407 721602827 /nfs/dbraw/zinc/60/28/27/721602827.db2.gz GIWKLVFUAXBEBR-JKSUJKDBSA-N 0 0 486.350 3.372 20 0 JGADRN Cc1cccc(CN2CCO[C@@H]3CN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)CC[C@@H]3C2=O)n1 ZINC001164799461 721602987 /nfs/dbraw/zinc/60/29/87/721602987.db2.gz KSMDIKRZRFTCEW-DOTOQJQBSA-N 0 0 476.915 3.114 20 0 JGADRN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C1 ZINC001164802513 721606577 /nfs/dbraw/zinc/60/65/77/721606577.db2.gz IOSGQPOQALBDNA-GOSISDBHSA-N 0 0 459.328 3.257 20 0 JGADRN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCCn3c(CN(C)C(C)C)nnc3C2)n1 ZINC001165009515 721709399 /nfs/dbraw/zinc/70/93/99/721709399.db2.gz UQMHKBSIBUNAMK-UHFFFAOYSA-N 0 0 473.622 3.200 20 0 JGADRN CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165011826 721723098 /nfs/dbraw/zinc/72/30/98/721723098.db2.gz VZAJVQKCRZNDNR-UHFFFAOYSA-N 0 0 476.915 3.163 20 0 JGADRN Cc1cccc(-c2cc(C(F)(F)N3CCn4c(COCC(=O)N(C)C)nnc4C3)cnc2Cl)c1 ZINC001165011404 721724296 /nfs/dbraw/zinc/72/42/96/721724296.db2.gz PXSORTWINGNEKQ-UHFFFAOYSA-N 0 0 490.942 3.472 20 0 JGADRN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@]4(CCCN4C(=O)C(C)C)C3)c2c1C ZINC001165007636 721726308 /nfs/dbraw/zinc/72/63/08/721726308.db2.gz FZVWJZZHDQUBLF-DEOSSOPVSA-N 0 0 457.644 3.368 20 0 JGADRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC001165010533 721744121 /nfs/dbraw/zinc/74/41/21/721744121.db2.gz OFRYWHPPIIHCEA-UHFFFAOYSA-N 0 0 464.948 3.260 20 0 JGADRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2cc(-c3ccco3)nnc2Cl)CC1 ZINC001165009582 721746377 /nfs/dbraw/zinc/74/63/77/721746377.db2.gz GIHCPOOKFZCKPP-UHFFFAOYSA-N 0 0 453.921 3.458 20 0 JGADRN O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@@H]12 ZINC001165012124 721751943 /nfs/dbraw/zinc/75/19/43/721751943.db2.gz BEGGEZCOOQVPEE-VYDXJSESSA-N 0 0 486.350 3.314 20 0 JGADRN O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(C(F)(F)c3cccnc3Cl)C[C@@H]12 ZINC001165013663 721752063 /nfs/dbraw/zinc/75/20/63/721752063.db2.gz PSNDSKHCVCNVRY-AOIWGVFYSA-N 0 0 450.917 3.265 20 0 JGADRN O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@@H]12 ZINC001165012101 721752636 /nfs/dbraw/zinc/75/26/36/721752636.db2.gz AVWYVUWNHWTVFR-VYDXJSESSA-N 0 0 486.350 3.314 20 0 JGADRN COc1cc(C(F)(F)N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C2)cc(Cl)n1 ZINC001165014347 721752809 /nfs/dbraw/zinc/75/28/09/721752809.db2.gz YUAPOFYQOYMAIL-QYZOEREBSA-N 0 0 480.943 3.274 20 0 JGADRN O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3F)C[C@@H]21 ZINC001165013553 721752951 /nfs/dbraw/zinc/75/29/51/721752951.db2.gz NTUGAJSVMVMDNB-GPMSIDNRSA-N 0 0 468.907 3.404 20 0 JGADRN O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(C(F)(F)c3cc(Cl)ncc3F)C[C@@H]12 ZINC001165013552 721753046 /nfs/dbraw/zinc/75/30/46/721753046.db2.gz NTUGAJSVMVMDNB-GJYPPUQNSA-N 0 0 468.907 3.404 20 0 JGADRN O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(C(F)(F)Oc3ccnc(Cl)c3)C[C@H]12 ZINC001165014335 721754489 /nfs/dbraw/zinc/75/44/89/721754489.db2.gz YMFQBMHESIPHTR-QRVBRYPASA-N 0 0 466.916 3.145 20 0 JGADRN Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165012800 721756038 /nfs/dbraw/zinc/75/60/38/721756038.db2.gz HJLGKFILMYLFBI-IKGGRYGDSA-N 0 0 497.333 3.381 20 0 JGADRN Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)[C@@H]3CCCO[C@H]23)cn1 ZINC001165013385 721756137 /nfs/dbraw/zinc/75/61/37/721756137.db2.gz LDWAXLGEOVVVEN-QWFCFKBJSA-N 0 0 461.900 3.333 20 0 JGADRN Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)[C@@H]3CCCO[C@H]23)cn1 ZINC001165014390 721758196 /nfs/dbraw/zinc/75/81/96/721758196.db2.gz ZARLJOJUGYNLLN-SFHLNBCPSA-N 0 0 488.926 3.242 20 0 JGADRN Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165013885 721758233 /nfs/dbraw/zinc/75/82/33/721758233.db2.gz UGJANGRWXBSSMW-QRVBRYPASA-N 0 0 461.900 3.333 20 0 JGADRN Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)[C@@H]3CCCO[C@H]23)cn1 ZINC001165013879 721759023 /nfs/dbraw/zinc/75/90/23/721759023.db2.gz UGBRAZCCROEQPP-SFHLNBCPSA-N 0 0 479.959 3.449 20 0 JGADRN O=C(c1cnccn1)N1CCOC2(CCN(C(F)(F)c3cccc4c(Cl)ncnc43)CC2)C1 ZINC001165012628 721759743 /nfs/dbraw/zinc/75/97/43/721759743.db2.gz GCUKEDJTOMPEBP-UHFFFAOYSA-N 0 0 474.899 3.130 20 0 JGADRN Clc1ccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)c2c1 ZINC001164911987 721768641 /nfs/dbraw/zinc/76/86/41/721768641.db2.gz JAHLQNXAUZBSAR-QFIPXVFZSA-N 0 0 460.365 3.439 20 0 JGADRN CCOC(=O)c1cnc(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@H]32)nc1Cl ZINC001165015524 721768834 /nfs/dbraw/zinc/76/88/34/721768834.db2.gz MCNPEIIDPNUNCU-TZMCWYRMSA-N 0 0 454.861 3.186 20 0 JGADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164911432 721769770 /nfs/dbraw/zinc/76/97/70/721769770.db2.gz GPVZGJKWRJXJRK-IBGZPJMESA-N 0 0 459.324 3.436 20 0 JGADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164911935 721770092 /nfs/dbraw/zinc/77/00/92/721770092.db2.gz INEHDZPBHQWEGT-LJQANCHMSA-N 0 0 459.324 3.436 20 0 JGADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164912028 721770548 /nfs/dbraw/zinc/77/05/48/721770548.db2.gz JIQNXGILRDNFBE-IBGZPJMESA-N 0 0 459.324 3.436 20 0 JGADRN Clc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)nn2)cc1 ZINC001164912500 721771737 /nfs/dbraw/zinc/77/17/37/721771737.db2.gz MXPNZKQLVPKILD-DEOSSOPVSA-N 0 0 451.958 3.300 20 0 JGADRN Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c2c1C ZINC001165015805 721772167 /nfs/dbraw/zinc/77/21/67/721772167.db2.gz NIWGSTSZYKEPID-RBUKOAKNSA-N 0 0 481.622 3.474 20 0 JGADRN CS(=O)(=O)c1cc(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@H]32)cnc1Cl ZINC001165018180 721773924 /nfs/dbraw/zinc/77/39/24/721773924.db2.gz UEEMYHGGUXMOOK-TZMCWYRMSA-N 0 0 459.902 3.017 20 0 JGADRN 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Cn1cc(C[C@@H]2CCN(c3nnc(-c4ccccc4)n3CCNC(=O)OC(C)(C)C)C2)cn1 ZINC001298827029 1064629614 /nfs/dbraw/zinc/62/96/14/1064629614.db2.gz XCSNWFMFQHDIGL-SFHVURJKSA-N 0 0 451.575 3.272 20 0 JGADRN Cn1cc(Cn2c(CCc3ccccc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001298827470 1064630410 /nfs/dbraw/zinc/63/04/10/1064630410.db2.gz AMPWDAVFGXLYBY-OAQYLSRUSA-N 0 0 465.602 3.339 20 0 JGADRN Cn1cc(Cn2c(C3CCC3)nnc2N(CCO)Cc2cc(Br)ccc2F)cn1 ZINC001298827777 1064631420 /nfs/dbraw/zinc/63/14/20/1064631420.db2.gz HISLNTZGEIZKKD-UHFFFAOYSA-N 0 0 463.355 3.228 20 0 JGADRN Cn1cc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cn1 ZINC001298828810 1064633736 /nfs/dbraw/zinc/63/37/36/1064633736.db2.gz YPIPZYWUQSHPBV-NHCUHLMSSA-N 0 0 485.677 3.258 20 0 JGADRN Cn1cc(N2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC[S@](=O)C(C)(C)C)CC2)cn1 ZINC001298833705 1064636307 /nfs/dbraw/zinc/63/63/07/1064636307.db2.gz GKTAAJGCVANVKE-XIFFEERXSA-N 0 0 494.040 3.345 20 0 JGADRN Cn1cc(Nc2nnc(C(=O)Nc3ccccn3)n2CCc2nc(C(F)(F)F)cs2)cn1 ZINC001298835036 1064639056 /nfs/dbraw/zinc/63/90/56/1064639056.db2.gz UTHCIQDRHDVWAA-UHFFFAOYSA-N 0 0 463.449 3.121 20 0 JGADRN NC(=O)N1CCC[C@@H](CNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1 ZINC001298837836 1064640742 /nfs/dbraw/zinc/64/07/42/1064640742.db2.gz OPBGFCLKPCGHOC-AWEZNQCLSA-N 0 0 459.344 3.222 20 0 JGADRN CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC001298837580 1064640842 /nfs/dbraw/zinc/64/08/42/1064640842.db2.gz IHUONCXBKSXRKD-SJORKVTESA-N 0 0 456.465 3.197 20 0 JGADRN COCC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CCOCC1 ZINC001298838346 1064641165 /nfs/dbraw/zinc/64/11/65/1064641165.db2.gz BAIPMGIJWGRNHS-UHFFFAOYSA-N 0 0 450.532 3.108 20 0 JGADRN Cn1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCCC2)n1 ZINC001298842010 1064644440 /nfs/dbraw/zinc/64/44/40/1064644440.db2.gz KUHJGJCRKDQVPB-LJQANCHMSA-N 0 0 459.595 3.139 20 0 JGADRN Cn1ccc(Cn2c(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)nnc2C(C)(C)C)n1 ZINC001298842461 1064644612 /nfs/dbraw/zinc/64/46/12/1064644612.db2.gz MXIMNMADSFRNJV-UHFFFAOYSA-N 0 0 455.994 3.363 20 0 JGADRN Cn1ccc(Cn2c(COc3ccccc3F)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001298842466 1064645260 /nfs/dbraw/zinc/64/52/60/1064645260.db2.gz MYIOZACSHLSOSL-QGZVFWFLSA-N 0 0 485.564 3.129 20 0 JGADRN Cn1ccc(CCn2c(CCc3ccccc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001298843795 1064646986 /nfs/dbraw/zinc/64/69/86/1064646986.db2.gz DGGPTBHBTXGXEI-NRFANRHFSA-N 0 0 465.602 3.143 20 0 JGADRN Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3cc(F)cc4ccoc43)CC2)cc1 ZINC001298845803 1064649514 /nfs/dbraw/zinc/64/95/14/1064649514.db2.gz FIGDOSAQKLDIOE-UHFFFAOYSA-N 0 0 450.513 3.193 20 0 JGADRN CCc1ccccc1[C@H](CNC(=O)[C@@H]1COCCN1CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001298846546 1064650359 /nfs/dbraw/zinc/65/03/59/1064650359.db2.gz NDKZAIXVNXHTST-ROUUACIJSA-N 0 0 459.509 3.194 20 0 JGADRN Cc1[nH]c2ccccc2c1CC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001298847454 1064651279 /nfs/dbraw/zinc/65/12/79/1064651279.db2.gz RJEAZYRNOSRKHG-UHFFFAOYSA-N 0 0 459.593 3.026 20 0 JGADRN Cn1ccc(Nc2nnc(CCOc3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)n1 ZINC001298849095 1064652090 /nfs/dbraw/zinc/65/20/90/1064652090.db2.gz LWQGCFOOQYVLMR-UHFFFAOYSA-N 0 0 473.463 3.298 20 0 JGADRN Cn1ccc(Nc2nnc(Cc3ccncc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC001298849892 1064652919 /nfs/dbraw/zinc/65/29/19/1064652919.db2.gz XQFANIRPPXHEAO-GOSISDBHSA-N 0 0 452.563 3.388 20 0 JGADRN Cn1ccc(Nc2nnc(COc3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)n1 ZINC001298849928 1064652938 /nfs/dbraw/zinc/65/29/38/1064652938.db2.gz AQBXYLDSXTYNHJ-UHFFFAOYSA-N 0 0 453.330 3.183 20 0 JGADRN Cn1ccc(Nc2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)c2ccco2)n1 ZINC001298850277 1064653175 /nfs/dbraw/zinc/65/31/75/1064653175.db2.gz NBKSCJGNSPBRBA-NYHFZMIOSA-N 0 0 457.535 3.328 20 0 JGADRN Cn1cccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCc1ccsc1 ZINC001298852129 1064654230 /nfs/dbraw/zinc/65/42/30/1064654230.db2.gz CGRGFIYYVAYJKL-UHFFFAOYSA-N 0 0 466.533 3.483 20 0 JGADRN Cn1cccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCCO[C@@H]1CCOC1 ZINC001298852948 1064655595 /nfs/dbraw/zinc/65/55/95/1064655595.db2.gz SRYPUYHQZLITBU-DYESRHJHSA-N 0 0 471.524 3.009 20 0 JGADRN Cn1cccc1-c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCOc1ccc(F)c(F)c1 ZINC001298853186 1064655607 /nfs/dbraw/zinc/65/56/07/1064655607.db2.gz YIMFVAHHBRITSZ-CQSZACIVSA-N 0 0 498.456 3.146 20 0 JGADRN CC(=O)NCC[C@H]1CCCN(C(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001298854605 1064657287 /nfs/dbraw/zinc/65/72/87/1064657287.db2.gz PSZFHTYOFGUATI-GOEBONIOSA-N 0 0 450.630 3.400 20 0 JGADRN Cn1cccc1-c1nnc(N2CCC[C@H](CC(N)=O)C2)n1Cc1c(F)cccc1OC(F)F ZINC001298855926 1064658847 /nfs/dbraw/zinc/65/88/47/1064658847.db2.gz CEGCXCJFDCJUAE-CQSZACIVSA-N 0 0 462.476 3.164 20 0 JGADRN Cn1cccc1-c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCS(=O)(=O)c1ccccc1 ZINC001298856849 1064659356 /nfs/dbraw/zinc/65/93/56/1064659356.db2.gz HVYMWDCRIMCXEI-QGZVFWFLSA-N 0 0 497.543 3.305 20 0 JGADRN Cn1cccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1nccc(C(F)F)n1 ZINC001298856868 1064659378 /nfs/dbraw/zinc/65/93/78/1064659378.db2.gz IBGDNUADGRPEDT-HNNXBMFYSA-N 0 0 472.544 3.191 20 0 JGADRN Cn1cccc1-c1nnc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001298859045 1064662521 /nfs/dbraw/zinc/66/25/21/1064662521.db2.gz VMHMKMOLWWSQNR-RTBURBONSA-N 0 0 458.607 3.451 20 0 JGADRN Cn1cccc1-c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC(=O)NCc1ccco1 ZINC001298859076 1064662589 /nfs/dbraw/zinc/66/25/89/1064662589.db2.gz WOUAICXPEKGUSP-UHFFFAOYSA-N 0 0 450.465 3.362 20 0 JGADRN Cn1cccc1-c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1Cc1ccncc1Cl ZINC001298860885 1064664046 /nfs/dbraw/zinc/66/40/46/1064664046.db2.gz GFXZNBNKUHVBNM-UHFFFAOYSA-N 0 0 471.890 3.403 20 0 JGADRN Cn1cccc1-c1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCOCC(F)F ZINC001298860791 1064664051 /nfs/dbraw/zinc/66/40/51/1064664051.db2.gz AVZCHSWIXZOVLS-UHFFFAOYSA-N 0 0 478.931 3.181 20 0 JGADRN Cn1cccc1-c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC1(C)CCOCC1 ZINC001298861285 1064664650 /nfs/dbraw/zinc/66/46/50/1064664650.db2.gz JZSUIQWLTJZLGD-UHFFFAOYSA-N 0 0 458.504 3.123 20 0 JGADRN Cn1cccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCC(F)F ZINC001298862861 1064667067 /nfs/dbraw/zinc/66/70/67/1064667067.db2.gz YLLZNWUWXZWMOS-OAHLLOKOSA-N 0 0 454.522 3.059 20 0 JGADRN Cn1cccc1-c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCOCC(F)F ZINC001298864062 1064668210 /nfs/dbraw/zinc/66/82/10/1064668210.db2.gz GVRWAYVPMOXXLW-SFHVURJKSA-N 0 0 453.440 3.421 20 0 JGADRN Cn1cccc1-c1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1CCOCCCO ZINC001298863809 1064668221 /nfs/dbraw/zinc/66/82/21/1064668221.db2.gz CSSSCIGPWWSYNM-HXUWFJFHSA-N 0 0 490.402 3.023 20 0 JGADRN O=Cc1cc(Br)cc(C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)c1 ZINC001298864164 1064668258 /nfs/dbraw/zinc/66/82/58/1064668258.db2.gz GVVYOHBIBXFIQZ-OAHLLOKOSA-N 0 0 452.102 3.169 20 0 JGADRN Cn1cccc1-c1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1CCC(=O)NC(C)(C)C ZINC001298864803 1064669459 /nfs/dbraw/zinc/66/94/59/1064669459.db2.gz OBPBBLMBRDPTOA-FQEVSTJZSA-N 0 0 472.540 3.445 20 0 JGADRN Cn1cccc1-c1nnc(N2CCOC(C)(C)C2)n1CCCCn1cc(Br)cn1 ZINC001298864933 1064669522 /nfs/dbraw/zinc/66/95/22/1064669522.db2.gz OMGLZVQAYHQDFD-UHFFFAOYSA-N 0 0 462.396 3.338 20 0 JGADRN Cn1cnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001298866302 1064670102 /nfs/dbraw/zinc/67/01/02/1064670102.db2.gz LPSCUCSIMGQVSZ-HNNXBMFYSA-N 0 0 490.971 3.408 20 0 JGADRN Cn1cnc(Cn2c(-c3ccccc3Cl)nnc2N2CCC(C(=O)C(F)(F)F)CC2)n1 ZINC001298866237 1064670112 /nfs/dbraw/zinc/67/01/12/1064670112.db2.gz JXYCQEHSQDNVSC-UHFFFAOYSA-N 0 0 453.856 3.123 20 0 JGADRN Cn1cnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001298866362 1064671137 /nfs/dbraw/zinc/67/11/37/1064671137.db2.gz NNYCWBPCVUUDAO-CQSZACIVSA-N 0 0 476.944 3.018 20 0 JGADRN Cn1cnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001298866303 1064671201 /nfs/dbraw/zinc/67/12/01/1064671201.db2.gz LPSCUCSIMGQVSZ-OAHLLOKOSA-N 0 0 490.971 3.408 20 0 JGADRN Cn1cnnc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001298868587 1064672782 /nfs/dbraw/zinc/67/27/82/1064672782.db2.gz GIUULRCALPPUGZ-OAHLLOKOSA-N 0 0 487.433 3.271 20 0 JGADRN Cn1cnnc1[C@H]1CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)O ZINC001298870010 1064673309 /nfs/dbraw/zinc/67/33/09/1064673309.db2.gz WTBLPFKUGQSEND-OAHLLOKOSA-N 0 0 466.373 3.405 20 0 JGADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)[C@@H](O)c1ccccc1 ZINC001298870084 1064674268 /nfs/dbraw/zinc/67/42/68/1064674268.db2.gz SPZXBXAUULZYRT-OYHNWAKOSA-N 0 0 454.504 3.068 20 0 JGADRN Cn1cnnc1[C@@H]1CCCN1c1nnc(Cc2ccccn2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001298870187 1064674330 /nfs/dbraw/zinc/67/43/30/1064674330.db2.gz YKPAWWOMRPQYFH-SFHVURJKSA-N 0 0 481.605 3.037 20 0 JGADRN Cn1cnnc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001298870171 1064674337 /nfs/dbraw/zinc/67/43/37/1064674337.db2.gz YGVCLBOSHLXMRD-HOTGVXAUSA-N 0 0 498.554 3.348 20 0 JGADRN 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C[C@@H]1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001298933665 1064729624 /nfs/dbraw/zinc/72/96/24/1064729624.db2.gz CESRHRCWEYYAJZ-ANWNFGLHSA-N 0 0 481.634 3.269 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001298933840 1064729638 /nfs/dbraw/zinc/72/96/38/1064729638.db2.gz RWYFMTGPJANVMK-LJQANCHMSA-N 0 0 466.630 3.354 20 0 JGADRN C[C@@H]1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001298933667 1064729650 /nfs/dbraw/zinc/72/96/50/1064729650.db2.gz CESRHRCWEYYAJZ-UHYQSWOWSA-N 0 0 481.634 3.269 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001298933235 1064729669 /nfs/dbraw/zinc/72/96/69/1064729669.db2.gz PLGCFCIISNFXPU-KRWDZBQOSA-N 0 0 459.616 3.453 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001298934186 1064730185 /nfs/dbraw/zinc/73/01/85/1064730185.db2.gz XEDRACCCGZSJHE-IRXDYDNUSA-N 0 0 490.674 3.276 20 0 JGADRN Cc1cn(CC(=O)N2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c2ccccc12 ZINC001298934631 1064730699 /nfs/dbraw/zinc/73/06/99/1064730699.db2.gz SSHWHFNDUKLUPX-LJQANCHMSA-N 0 0 452.559 3.430 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001298936040 1064731092 /nfs/dbraw/zinc/73/10/92/1064731092.db2.gz ANAMXIPUTCNGSD-CRAIPNDOSA-N 0 0 482.412 3.439 20 0 JGADRN Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC001298936523 1064731580 /nfs/dbraw/zinc/73/15/80/1064731580.db2.gz GRFOSVIRQPSUKK-SFHVURJKSA-N 0 0 452.559 3.499 20 0 JGADRN COC(=O)c1cc(C)c(C(=O)N2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)o1 ZINC001298937014 1064732054 /nfs/dbraw/zinc/73/20/54/1064732054.db2.gz LHARRZUEGCUUFG-APWZRJJASA-N 0 0 450.532 3.299 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001298937295 1064732598 /nfs/dbraw/zinc/73/25/98/1064732598.db2.gz MSOSZCSFRQRXNT-AWEZNQCLSA-N 0 0 457.472 3.349 20 0 JGADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)C2CCN(CC(F)F)CC2)CC1 ZINC001298937205 1064732659 /nfs/dbraw/zinc/73/26/59/1064732659.db2.gz OBWUCCVLTNLUCQ-QUCCMNQESA-N 0 0 459.578 3.274 20 0 JGADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ncn2)CC1 ZINC001298939179 1064732898 /nfs/dbraw/zinc/73/28/98/1064732898.db2.gz WLOCWHZDKRRKEW-PBHICJAKSA-N 0 0 458.481 3.420 20 0 JGADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001298940026 1064733313 /nfs/dbraw/zinc/73/33/13/1064733313.db2.gz YKHJUBVCJQVQPS-OKYOBFRVSA-N 0 0 467.607 3.211 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 ZINC001298940763 1064733969 /nfs/dbraw/zinc/73/39/69/1064733969.db2.gz WYTZNLJRYUNZIM-FQEVSTJZSA-N 0 0 453.587 3.247 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001298942373 1064734321 /nfs/dbraw/zinc/73/43/21/1064734321.db2.gz AQXIQVVFCFHGEB-INIZCTEOSA-N 0 0 476.647 3.148 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001298943004 1064735348 /nfs/dbraw/zinc/73/53/48/1064735348.db2.gz LNMJZEGQZIFKOH-GOSISDBHSA-N 0 0 486.665 3.173 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001298942933 1064735430 /nfs/dbraw/zinc/73/54/30/1064735430.db2.gz YEHNXRRLHHWOFC-FQEVSTJZSA-N 0 0 482.673 3.327 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001298942817 1064735457 /nfs/dbraw/zinc/73/54/57/1064735457.db2.gz WGNAUTHHIUZHKN-FQEVSTJZSA-N 0 0 486.979 3.407 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001298942975 1064735581 /nfs/dbraw/zinc/73/55/81/1064735581.db2.gz ZRARDACTXQXBFG-LJQANCHMSA-N 0 0 453.566 3.127 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001298943008 1064735871 /nfs/dbraw/zinc/73/58/71/1064735871.db2.gz LTCAVNFLEVPTEH-UHFFFAOYSA-N 0 0 463.630 3.257 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001298943227 1064736314 /nfs/dbraw/zinc/73/63/14/1064736314.db2.gz BRSBNIZXTQXXFQ-GGAORHGYSA-N 0 0 499.656 3.445 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001298944080 1064737547 /nfs/dbraw/zinc/73/75/47/1064737547.db2.gz NASRWCJACLTZRV-HNNXBMFYSA-N 0 0 472.590 3.378 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001298947252 1064738678 /nfs/dbraw/zinc/73/86/78/1064738678.db2.gz ADAIKKWSGAGMJP-OUDXUNEISA-N 0 0 485.629 3.019 20 0 JGADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1 ZINC001298947263 1064738709 /nfs/dbraw/zinc/73/87/09/1064738709.db2.gz BOUZARPNSVPNNM-HSZRJFAPSA-N 0 0 452.617 3.230 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001298947248 1064738893 /nfs/dbraw/zinc/73/88/93/1064738893.db2.gz ADAIKKWSGAGMJP-DYLHXGEVSA-N 0 0 485.629 3.019 20 0 JGADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1 ZINC001298947266 1064738950 /nfs/dbraw/zinc/73/89/50/1064738950.db2.gz BOUZARPNSVPNNM-QHCPKHFHSA-N 0 0 452.617 3.230 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001298949052 1064740433 /nfs/dbraw/zinc/74/04/33/1064740433.db2.gz LMQIXFURXQSLTF-SJLPKXTDSA-N 0 0 461.632 3.212 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001298949644 1064741016 /nfs/dbraw/zinc/74/10/16/1064741016.db2.gz NOKAQNUBTNBHPO-LJQANCHMSA-N 0 0 497.669 3.277 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(N2CCC(CNC(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C ZINC001298949702 1064741037 /nfs/dbraw/zinc/74/10/37/1064741037.db2.gz HCNYTCMCFYWNFR-UHFFFAOYSA-N 0 0 450.628 3.089 20 0 JGADRN O=C(CNS(=O)(=O)c1cccc(Br)c1)N1CCC(OC2CCCCC2)CC1 ZINC001298950962 1064741503 /nfs/dbraw/zinc/74/15/03/1064741503.db2.gz ZPSVDPPABSXOND-UHFFFAOYSA-N 0 0 459.406 3.068 20 0 JGADRN CNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 ZINC001298951190 1064742016 /nfs/dbraw/zinc/74/20/16/1064742016.db2.gz UPYQPNUCPHGDQE-HXUWFJFHSA-N 0 0 495.628 3.293 20 0 JGADRN CNC(=O)C(C)(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001298951724 1064742780 /nfs/dbraw/zinc/74/27/80/1064742780.db2.gz ZXMXBLOVVHMLOG-LUKYLMHMSA-N 0 0 480.679 3.151 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC001298952963 1064743805 /nfs/dbraw/zinc/74/38/05/1064743805.db2.gz IAKDHINIHDIHLM-KAWPREARSA-N 0 0 482.629 3.171 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nc(C)c(C)s1 ZINC001298953284 1064744574 /nfs/dbraw/zinc/74/45/74/1064744574.db2.gz KKUOMHVNWVMRHI-HNNXBMFYSA-N 0 0 469.615 3.087 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCOC[C@H]1C ZINC001298954224 1064745033 /nfs/dbraw/zinc/74/50/33/1064745033.db2.gz ABHYFNGNUCPLEN-JKSUJKDBSA-N 0 0 491.061 3.352 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(c2ccccc2C)CC1 ZINC001298954281 1064745533 /nfs/dbraw/zinc/74/55/33/1064745533.db2.gz AVEDXFQKBKQADE-FNZWTVRRSA-N 0 0 469.630 3.177 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCS1 ZINC001298954319 1064745592 /nfs/dbraw/zinc/74/55/92/1064745592.db2.gz BJHVCXNIEYVKFP-AEFFLSMTSA-N 0 0 453.616 3.439 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCS1 ZINC001298954422 1064745638 /nfs/dbraw/zinc/74/56/38/1064745638.db2.gz BJHVCXNIEYVKFP-WMZOPIPTSA-N 0 0 453.616 3.439 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCC[C@H]1C ZINC001298954460 1064745907 /nfs/dbraw/zinc/74/59/07/1064745907.db2.gz CDACZYOFIIWGNR-LKBUQDJMSA-N 0 0 482.398 3.216 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1 ZINC001298955876 1064747979 /nfs/dbraw/zinc/74/79/79/1064747979.db2.gz LNPFXFAPJPFIKQ-TZMCWYRMSA-N 0 0 455.426 3.140 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(Cl)c2)n1CCCNC(=O)c1occc1C ZINC001298956971 1064748392 /nfs/dbraw/zinc/74/83/92/1064748392.db2.gz PUVHAWGWARDKMK-INIZCTEOSA-N 0 0 472.977 3.138 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCn1nc(C)cc1C ZINC001298956938 1064748445 /nfs/dbraw/zinc/74/84/45/1064748445.db2.gz PGFUMQZCLXKTLK-LJQANCHMSA-N 0 0 463.630 3.470 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(COC)cc1 ZINC001298959134 1064748673 /nfs/dbraw/zinc/74/86/73/1064748673.db2.gz VSTLANBQSIRTFR-AWEZNQCLSA-N 0 0 475.391 3.049 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(COC)cc1 ZINC001298959137 1064748728 /nfs/dbraw/zinc/74/87/28/1064748728.db2.gz VSTLANBQSIRTFR-CQSZACIVSA-N 0 0 475.391 3.049 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cccnc1-n1cccn1 ZINC001298959662 1064748764 /nfs/dbraw/zinc/74/87/64/1064748764.db2.gz WAZZTKQSEKYBFJ-INIZCTEOSA-N 0 0 464.961 3.046 20 0 JGADRN 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CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001298965389 1064752927 /nfs/dbraw/zinc/75/29/27/1064752927.db2.gz NJSLRIMCMDZQFS-DLBZAZTESA-N 0 0 474.606 3.027 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@H]1CCCCO1 ZINC001298965752 1064754182 /nfs/dbraw/zinc/75/41/82/1064754182.db2.gz ISRAPOMNBGXFQX-DOTOQJQBSA-N 0 0 494.434 3.494 20 0 JGADRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@@H]1CCCCO1 ZINC001298965755 1064754506 /nfs/dbraw/zinc/75/45/06/1064754506.db2.gz ISRAPOMNBGXFQX-WBVHZDCISA-N 0 0 494.434 3.494 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CCOCC1 ZINC001298965815 1064754533 /nfs/dbraw/zinc/75/45/33/1064754533.db2.gz JQIWCBPVIDUIKU-SFHVURJKSA-N 0 0 467.570 3.362 20 0 JGADRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cc(F)c(F)c1F ZINC001298966020 1064754943 /nfs/dbraw/zinc/75/49/43/1064754943.db2.gz KENORQYNPWBALK-JTQLQIEISA-N 0 0 470.858 3.417 20 0 JGADRN 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Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](c4ccco4)C3)n2CCNC(=O)C(C)C)cc1C ZINC001492273361 1065366048 /nfs/dbraw/zinc/36/60/48/1065366048.db2.gz DDGNNVPWBXBQHS-NRFANRHFSA-N 0 0 480.569 3.090 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1C ZINC001492273896 1065367256 /nfs/dbraw/zinc/36/72/56/1065367256.db2.gz OXKSFNWTGBDOMW-UXHICEINSA-N 0 0 482.629 3.313 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)N2CCOCC2)cc1C ZINC001492274042 1065367913 /nfs/dbraw/zinc/36/79/13/1065367913.db2.gz SNRZYLFZXTYEGA-IRLDBZIGSA-N 0 0 484.645 3.119 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H]2NC(=O)CC2(C)C)cc1C ZINC001492274083 1065367990 /nfs/dbraw/zinc/36/79/90/1065367990.db2.gz UBIGBHLTMHIGMN-MJGOQNOKSA-N 0 0 468.602 3.066 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[C@H]2CCOC2)cc1C ZINC001492274089 1065368021 /nfs/dbraw/zinc/36/80/21/1065368021.db2.gz UDVBWPYYDCEMJV-RBBKRZOGSA-N 0 0 471.602 3.204 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCSC[C@H]3C)n2C[C@H]2NC(=O)CC2(C)C)cc1C ZINC001492274632 1065368996 /nfs/dbraw/zinc/36/89/96/1065368996.db2.gz DHYRQIZARIVGHK-SJLPKXTDSA-N 0 0 456.616 3.004 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@](C)(O)CCC(C)C)C2)nc1 ZINC001492275794 1065369635 /nfs/dbraw/zinc/36/96/35/1065369635.db2.gz LDWNTWREPZMOSS-FQRUVTKNSA-N 0 0 499.660 3.162 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(Nc3ccn(C)n3)n2CCOc2ncccc2F)cc1C ZINC001492276679 1065371129 /nfs/dbraw/zinc/37/11/29/1065371129.db2.gz QKHPLRMKDGOICS-UHFFFAOYSA-N 0 0 450.478 3.237 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C(C)C)C3)n2CCOCCCO)cc1C ZINC001492277169 1065371698 /nfs/dbraw/zinc/37/16/98/1065371698.db2.gz UUSQLGGMPBJKNL-FQEVSTJZSA-N 0 0 461.632 3.124 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(-c4cnccn4)n3CCC(C)(F)F)CC2)nc1 ZINC001492281224 1065374540 /nfs/dbraw/zinc/37/45/40/1065374540.db2.gz OVWUSQMEAUTSOR-UHFFFAOYSA-N 0 0 456.501 3.339 20 0 JGADRN Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001492282369 1065375826 /nfs/dbraw/zinc/37/58/26/1065375826.db2.gz XLIFCFHFXDDBPH-SFHVURJKSA-N 0 0 457.579 3.012 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C)cc3F)CC2)nc1 ZINC001492282665 1065375883 /nfs/dbraw/zinc/37/58/83/1065375883.db2.gz ZTMSALUDZGQXAW-UHFFFAOYSA-N 0 0 493.587 3.471 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)O)CC2)nc1 ZINC001492283861 1065376557 /nfs/dbraw/zinc/37/65/57/1065376557.db2.gz MORRAAUIUOMRKO-UHFFFAOYSA-N 0 0 478.597 3.495 20 0 JGADRN Cc1nnc(CCn2c(Cc3ccncc3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)s1 ZINC001492287072 1065379846 /nfs/dbraw/zinc/37/98/46/1065379846.db2.gz AMIRDPFOUPFVDL-UHFFFAOYSA-N 0 0 462.583 3.050 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC001492287349 1065380420 /nfs/dbraw/zinc/38/04/20/1065380420.db2.gz CILNNZFUFQKOIQ-LEWJYISDSA-N 0 0 484.645 3.181 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC2(O)CCCC2)cs1 ZINC001492287407 1065380501 /nfs/dbraw/zinc/38/05/01/1065380501.db2.gz DRCUGXIVVKEPNS-UHFFFAOYSA-N 0 0 454.600 3.322 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC2CCS(=O)(=O)CC2)cc1 ZINC001492287746 1065381245 /nfs/dbraw/zinc/38/12/45/1065381245.db2.gz SXHGMXAIRUHULI-UHFFFAOYSA-N 0 0 461.632 3.075 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CCCCS2(=O)=O)cc1 ZINC001492288065 1065381987 /nfs/dbraw/zinc/38/19/87/1065381987.db2.gz JYWWAIPAUNKIPA-OAQYLSRUSA-N 0 0 473.643 3.361 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCOC2CCOCC2)cc1 ZINC001492288064 1065382001 /nfs/dbraw/zinc/38/20/01/1065382001.db2.gz VQHUVJFSJDTSCD-FQEVSTJZSA-N 0 0 471.602 3.141 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2)cc1 ZINC001492288092 1065382485 /nfs/dbraw/zinc/38/24/85/1065382485.db2.gz KIEITICRKYVGGQ-IBGZPJMESA-N 0 0 456.616 3.070 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1 ZINC001492288321 1065382617 /nfs/dbraw/zinc/38/26/17/1065382617.db2.gz WQMXOKKLPQIFPQ-AVRDEDQJSA-N 0 0 451.575 3.123 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)c1 ZINC001492302501 1065386080 /nfs/dbraw/zinc/38/60/80/1065386080.db2.gz JOYFEROBSZHXKY-GOSISDBHSA-N 0 0 477.556 3.435 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(CC(C)C)nnc2N2CCC(CNS(C)(=O)=O)CC2)c1 ZINC001492302447 1065386135 /nfs/dbraw/zinc/38/61/35/1065386135.db2.gz HPQDOPICXBZKHT-UHFFFAOYSA-N 0 0 485.601 3.200 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCCNC(=O)C(C)C)cc1 ZINC001492340547 1065388859 /nfs/dbraw/zinc/38/88/59/1065388859.db2.gz SSFCPHAFUXOAFB-IEBWSBKVSA-N 0 0 483.535 3.484 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)NC(C)C)nnc2N(C[C@H]2CCOC2)C2CC2)c1 ZINC001492307869 1065388873 /nfs/dbraw/zinc/38/88/73/1065388873.db2.gz WWTHTLCDTUGEKZ-MRXNPFEDSA-N 0 0 463.529 3.380 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCCNC(=O)C(C)C)cc1 ZINC001492340550 1065388894 /nfs/dbraw/zinc/38/88/94/1065388894.db2.gz SSFCPHAFUXOAFB-MJGOQNOKSA-N 0 0 483.535 3.484 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CCCCN2C2CC2)cc1C ZINC001492310017 1065389297 /nfs/dbraw/zinc/38/92/97/1065389297.db2.gz BJQXIIJOSSWNLW-IRLDBZIGSA-N 0 0 489.686 3.360 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(C)C)nnc2N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 ZINC001492308222 1065389500 /nfs/dbraw/zinc/38/95/00/1065389500.db2.gz ZKEXXEPGDHVILU-QHCPKHFHSA-N 0 0 476.528 3.174 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2Cc2nccc(C(F)F)n2)cc1 ZINC001492311479 1065390608 /nfs/dbraw/zinc/39/06/08/1065390608.db2.gz MJQCODMFXFWXGE-CVEARBPZSA-N 0 0 494.568 3.199 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@@H]4CCOC4)n3CCS(=O)(=O)C(C)(C)C)CC2)cc1 ZINC001492311583 1065391107 /nfs/dbraw/zinc/39/11/07/1065391107.db2.gz NMSHIBZJIUEKQI-LJQANCHMSA-N 0 0 476.643 3.352 20 0 JGADRN Cc1nc(C)c(Cn2c(COc3ccc(C)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)s1 ZINC001492313739 1065391831 /nfs/dbraw/zinc/39/18/31/1065391831.db2.gz XULOUPSXIRCFTO-OAHLLOKOSA-N 0 0 463.629 3.156 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H]2CCCSC2)cc1C ZINC001492313629 1065391929 /nfs/dbraw/zinc/39/19/29/1065391929.db2.gz WOWLWBVGMHABRX-OALUTQOASA-N 0 0 466.673 3.486 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@H]4CCCOC4)n3CCNC(=O)C(C)C)CC2)cc1 ZINC001492314002 1065391962 /nfs/dbraw/zinc/39/19/62/1065391962.db2.gz YMGODNLTIJIYQQ-FQEVSTJZSA-N 0 0 455.603 3.301 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CCCC(C)C)cc1 ZINC001492316134 1065392407 /nfs/dbraw/zinc/39/24/07/1065392407.db2.gz FYLSOPCNJICFGZ-UHFFFAOYSA-N 0 0 463.648 3.462 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CCC(C)CC3)n2CC(=O)N2CCOCC2)cc1C ZINC001492316486 1065392898 /nfs/dbraw/zinc/39/28/98/1065392898.db2.gz IESBPYIZCDJKTH-UHFFFAOYSA-N 0 0 455.603 3.348 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)cc1C ZINC001492316226 1065393014 /nfs/dbraw/zinc/39/30/14/1065393014.db2.gz HLJRBFTXPYGAFI-FPOVZHCZSA-N 0 0 479.572 3.055 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 ZINC001492316650 1065393054 /nfs/dbraw/zinc/39/30/54/1065393054.db2.gz KBRNYBDWKHNTEQ-VQTJNVASSA-N 0 0 476.643 3.120 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H]2CCCCC2(F)F)cc1 ZINC001492317780 1065393547 /nfs/dbraw/zinc/39/35/47/1065393547.db2.gz QEWLDXRPBOGLSU-LJQANCHMSA-N 0 0 477.556 3.286 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO[C@H]2C(C)C)cc1 ZINC001492317396 1065393678 /nfs/dbraw/zinc/39/36/78/1065393678.db2.gz MMVKVMDREJFWSD-MZKRTTBSSA-N 0 0 476.643 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccs2)cc1C ZINC001492318023 1065394015 /nfs/dbraw/zinc/39/40/15/1065394015.db2.gz SFPMFUOXWRESQJ-MBSDFSHPSA-N 0 0 490.651 3.066 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)cc1 ZINC001492318045 1065394273 /nfs/dbraw/zinc/39/42/73/1065394273.db2.gz SRZUQRROPHXPMK-HKUYNNGSSA-N 0 0 450.630 3.075 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC2CC(C)(C)C2)cc1C ZINC001492318872 1065394498 /nfs/dbraw/zinc/39/44/98/1065394498.db2.gz ZULDBBURRYAVLE-UHFFFAOYSA-N 0 0 455.603 3.205 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H]2CCC3(C2)OCCO3)cc1 ZINC001492319788 1065394526 /nfs/dbraw/zinc/39/45/26/1065394526.db2.gz FGXIYXITAUYJMC-LJQANCHMSA-N 0 0 471.602 3.060 20 0 JGADRN Cc1noc(C)c1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001492319546 1065394540 /nfs/dbraw/zinc/39/45/40/1065394540.db2.gz CXNCDUKVTMMKTM-UHFFFAOYSA-N 0 0 454.575 3.478 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@@](C)(O)c2ccsc2)cc1C ZINC001492320684 1065395202 /nfs/dbraw/zinc/39/52/02/1065395202.db2.gz PTCJMSZMUQXODX-XMMPIXPASA-N 0 0 471.627 3.404 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(C)cc2)n1CCCN1CCOC1=O ZINC001492323219 1065395907 /nfs/dbraw/zinc/39/59/07/1065395907.db2.gz KCMGPISXFWZDOZ-UHFFFAOYSA-N 0 0 456.572 3.409 20 0 JGADRN Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1CCN1CCOC[C@@H]1C ZINC001492323735 1065396612 /nfs/dbraw/zinc/39/66/12/1065396612.db2.gz WXFKXOCOXGWIAO-SFHVURJKSA-N 0 0 454.575 3.127 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC001492324879 1065397581 /nfs/dbraw/zinc/39/75/81/1065397581.db2.gz FLYXVDGVBWEUKA-MRXNPFEDSA-N 0 0 454.543 3.082 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H](C)CN2CCOCC2)cc1 ZINC001492325529 1065397595 /nfs/dbraw/zinc/39/75/95/1065397595.db2.gz OBRKIMMANNSATB-IBGZPJMESA-N 0 0 488.036 3.157 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC(C)(C)N2CCOCC2)cc1 ZINC001492324686 1065397702 /nfs/dbraw/zinc/39/77/02/1065397702.db2.gz BJQJRZNTCHCHIS-UHFFFAOYSA-N 0 0 488.036 3.300 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CCN2CCOC(C)(C)C2)cc1 ZINC001492324715 1065397718 /nfs/dbraw/zinc/39/77/18/1065397718.db2.gz CKCCGKOIEHZPBR-UHFFFAOYSA-N 0 0 488.036 3.300 20 0 JGADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)s1 ZINC001492325728 1065398173 /nfs/dbraw/zinc/39/81/73/1065398173.db2.gz QVZXLCJDTNUSAF-GOSISDBHSA-N 0 0 475.640 3.392 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@H]2CCO[C@@H](C)C2)cc1 ZINC001492326353 1065399149 /nfs/dbraw/zinc/39/91/49/1065399149.db2.gz YQAWTGRZSHPKIB-ROUUACIJSA-N 0 0 475.544 3.474 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](N4CCOCC4)[C@@H](C)C3)n2CCCOC(F)(F)F)cc1 ZINC001492336568 1065403472 /nfs/dbraw/zinc/40/34/72/1065403472.db2.gz BLYDYQAWTPLKIV-ICSRJNTNSA-N 0 0 483.535 3.249 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC001492336601 1065404316 /nfs/dbraw/zinc/40/43/16/1065404316.db2.gz HLXPQGBHXGPULT-VWNXMTODSA-N 0 0 476.643 3.160 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](C)N2CCOCC2)cc1C ZINC001492337196 1065404332 /nfs/dbraw/zinc/40/43/32/1065404332.db2.gz GTJGRBDUQHPIHZ-RTWAWAEBSA-N 0 0 457.619 3.198 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](C)N2CCOCC2)cc1C ZINC001492337194 1065404480 /nfs/dbraw/zinc/40/44/80/1065404480.db2.gz GTJGRBDUQHPIHZ-NHCUHLMSSA-N 0 0 457.619 3.198 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@@]2(C)CCO[C@H]2C2CC2)cc1C ZINC001492336599 1065404505 /nfs/dbraw/zinc/40/45/05/1065404505.db2.gz HLXPQGBHXGPULT-LADGPHEKSA-N 0 0 476.643 3.160 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CCc2nccnc2C)cc1C ZINC001492337589 1065405285 /nfs/dbraw/zinc/40/52/85/1065405285.db2.gz NEQUMMWRVBZPKK-SZPZYZBQSA-N 0 0 493.656 3.360 20 0 JGADRN Cc1ccc(OCc2nnc(N(Cc3ccco3)C(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C ZINC001492337611 1065405429 /nfs/dbraw/zinc/40/54/29/1065405429.db2.gz NGDQVSIFSRGUOZ-DEOSSOPVSA-N 0 0 488.610 3.032 20 0 JGADRN Cc1ccc(OCc2nnc(N(C[C@H]3CCOC3)C3CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492338805 1065405956 /nfs/dbraw/zinc/40/59/56/1065405956.db2.gz QYDYYNVJWMFKAB-LJQANCHMSA-N 0 0 455.603 3.476 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)s1 ZINC001492339025 1065406837 /nfs/dbraw/zinc/40/68/37/1065406837.db2.gz MUKMQSONSROBTP-IRXDYDNUSA-N 0 0 454.600 3.401 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCCC2CCOCC2)cc1C ZINC001492338899 1065406862 /nfs/dbraw/zinc/40/68/62/1065406862.db2.gz SDGINMLETDENDR-HXUWFJFHSA-N 0 0 455.603 3.348 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CCC(N)=O)CC2)cc1 ZINC001492294829 1065409818 /nfs/dbraw/zinc/40/98/18/1065409818.db2.gz JXOWYOQYFPZRCT-CTNGQTDRSA-N 0 0 455.603 3.430 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 ZINC001492294932 1065409838 /nfs/dbraw/zinc/40/98/38/1065409838.db2.gz KVXUIMBYIKGTPH-IAGOWNOFSA-N 0 0 454.962 3.436 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492294225 1065409867 /nfs/dbraw/zinc/40/98/67/1065409867.db2.gz HXGVYDFRUVZQTN-SFHLNBCPSA-N 0 0 498.628 3.499 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 ZINC001492294935 1065410273 /nfs/dbraw/zinc/41/02/73/1065410273.db2.gz KVXUIMBYIKGTPH-SJORKVTESA-N 0 0 454.962 3.436 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 ZINC001492295620 1065411481 /nfs/dbraw/zinc/41/14/81/1065411481.db2.gz PBTHVICOEQJNKO-UGKGYDQZSA-N 0 0 454.575 3.085 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC001492297725 1065412186 /nfs/dbraw/zinc/41/21/86/1065412186.db2.gz YDBKTMIRFZHDNM-LEWJYISDSA-N 0 0 477.613 3.500 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H](C)Oc2ccc(C)cc2)o1 ZINC001492297986 1065412303 /nfs/dbraw/zinc/41/23/03/1065412303.db2.gz ZKZCZUCYAPNYNW-GOSISDBHSA-N 0 0 453.543 3.093 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCSCC(F)(F)F)cc1 ZINC001492351050 1065412870 /nfs/dbraw/zinc/41/28/70/1065412870.db2.gz AYSNIRRGNFBECS-IBGZPJMESA-N 0 0 457.522 3.163 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H]2CSCCS2)cc1C ZINC001492351843 1065414091 /nfs/dbraw/zinc/41/40/91/1065414091.db2.gz GUKMHJROFWOAQH-PGRDOPGGSA-N 0 0 461.657 3.024 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@H]4CC4(F)F)CC3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001492352433 1065414663 /nfs/dbraw/zinc/41/46/63/1065414663.db2.gz NPFPIBGAQVAHMC-HXUWFJFHSA-N 0 0 497.612 3.365 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC2(O)CCCCC2)cc1 ZINC001492353602 1065415784 /nfs/dbraw/zinc/41/57/84/1065415784.db2.gz FMFXJGVSNJATED-UHFFFAOYSA-N 0 0 455.603 3.343 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2C[C@@H]2CCCOC2)cc1 ZINC001492353704 1065416368 /nfs/dbraw/zinc/41/63/68/1065416368.db2.gz JHWCQLVAHCGCER-IBGZPJMESA-N 0 0 495.546 3.487 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001492353948 1065417200 /nfs/dbraw/zinc/41/72/00/1065417200.db2.gz QVCVIXHGVDVDKP-DENIHFKCSA-N 0 0 455.603 3.285 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC(=O)NC2CCCCC2)cc1 ZINC001492354096 1065418061 /nfs/dbraw/zinc/41/80/61/1065418061.db2.gz WTCHSUORLFJVIQ-UHFFFAOYSA-N 0 0 482.629 3.096 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC(C)(C)O)cc1 ZINC001492354041 1065418203 /nfs/dbraw/zinc/41/82/03/1065418203.db2.gz UPOWDFOXXMCVRY-GOSISDBHSA-N 0 0 459.591 3.287 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 ZINC001492354009 1065418210 /nfs/dbraw/zinc/41/82/10/1065418210.db2.gz SYOZAPTVTQBKOC-NRFANRHFSA-N 0 0 455.603 3.069 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCCC(F)(F)F)cc1C ZINC001492360589 1065422281 /nfs/dbraw/zinc/42/22/81/1065422281.db2.gz XMJROYOBOYWOLJ-UHFFFAOYSA-N 0 0 489.564 3.334 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CCOC2)cc1C ZINC001492360471 1065422425 /nfs/dbraw/zinc/42/24/25/1065422425.db2.gz UDMOCJUGENLMFL-KRWDZBQOSA-N 0 0 454.493 3.404 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@]2(O)CCO[C@H]2C)cc1 ZINC001492363944 1065425650 /nfs/dbraw/zinc/42/56/50/1065425650.db2.gz PEOQORNSFMZWSD-UQBPGWFLSA-N 0 0 458.603 3.489 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H]2CCSC2)cc1C ZINC001492364017 1065426528 /nfs/dbraw/zinc/42/65/28/1065426528.db2.gz QWJFBZKGTTYIPJ-GOSISDBHSA-N 0 0 464.657 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@]2(O)CCO[C@@H]2C)cc1C ZINC001492364236 1065426590 /nfs/dbraw/zinc/42/65/90/1065426590.db2.gz UJYIDKZDVXLZPB-CJFMBICVSA-N 0 0 458.603 3.408 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CCCn2cnnn2)cc1C ZINC001492367168 1065427144 /nfs/dbraw/zinc/42/71/44/1065427144.db2.gz AQAIDLSYFLTRGK-UHFFFAOYSA-N 0 0 473.379 3.040 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001492367913 1065428166 /nfs/dbraw/zinc/42/81/66/1065428166.db2.gz DMBVWNZBJRYSMK-IRXDYDNUSA-N 0 0 472.533 3.379 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492369620 1065429589 /nfs/dbraw/zinc/42/95/89/1065429589.db2.gz PDDGWKNPPFYGRY-KBMIEXCESA-N 0 0 455.603 3.068 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCSCC(F)(F)F)cc1 ZINC001492369931 1065431176 /nfs/dbraw/zinc/43/11/76/1065431176.db2.gz DFANXGFYSYRRGZ-QGZVFWFLSA-N 0 0 492.589 3.474 20 0 JGADRN Cc1noc([C@@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCNC(=O)C(C)(C)C)C2)n1 ZINC001492370274 1065431852 /nfs/dbraw/zinc/43/18/52/1065431852.db2.gz GYHNIWNNNFAZSG-LJQANCHMSA-N 0 0 481.601 3.403 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@]2(C)COCCO2)cc1C ZINC001492370326 1065432805 /nfs/dbraw/zinc/43/28/05/1065432805.db2.gz HXFMOOSHPVNOEU-AMGIVPHBSA-N 0 0 499.656 3.268 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[C@@H]2CCCCO2)cc1 ZINC001492370892 1065434462 /nfs/dbraw/zinc/43/44/62/1065434462.db2.gz MNVSGXKMSSYTJT-FPOVZHCZSA-N 0 0 462.616 3.138 20 0 JGADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCC(=O)NC(C)C)C2)n1 ZINC001492370978 1065434535 /nfs/dbraw/zinc/43/45/35/1065434535.db2.gz NADGWRPYSDJSHY-QFIPXVFZSA-N 0 0 494.644 3.205 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCCOC(F)(F)F)cc1C ZINC001492371615 1065435955 /nfs/dbraw/zinc/43/59/55/1065435955.db2.gz RYSFTMBAUJVSHA-SFHVURJKSA-N 0 0 490.548 3.414 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H]2COCCO2)cc1C ZINC001492372209 1065436482 /nfs/dbraw/zinc/43/64/82/1065436482.db2.gz XJIKQBPZEFMJML-IFMALSPDSA-N 0 0 485.629 3.020 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[C@H]2COCCO2)cc1 ZINC001492372048 1065436537 /nfs/dbraw/zinc/43/65/37/1065436537.db2.gz VYYGEQSMVIVCNY-UNMCSNQZSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCc2cccnc2)cc1C ZINC001492372192 1065436573 /nfs/dbraw/zinc/43/65/73/1065436573.db2.gz XBYHNLRRXKOFJI-JOCHJYFZSA-N 0 0 469.611 3.125 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001492372315 1065437282 /nfs/dbraw/zinc/43/72/82/1065437282.db2.gz YATNFPQJGJKGGK-FPYOTAMTSA-N 0 0 475.659 3.113 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[S@@](=O)C(C)(C)C)cc1C ZINC001492372314 1065437323 /nfs/dbraw/zinc/43/73/23/1065437323.db2.gz YATNFPQJGJKGGK-DUTUXMCTSA-N 0 0 475.659 3.113 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2CC2(C)CCC2)cc1 ZINC001492372226 1065437518 /nfs/dbraw/zinc/43/75/18/1065437518.db2.gz XPULCMLIPDSEFO-FQEVSTJZSA-N 0 0 475.659 3.464 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2CC2CC(C)(C)C2)cc1 ZINC001492372433 1065438140 /nfs/dbraw/zinc/43/81/40/1065438140.db2.gz ZVGFUMNLTGMABN-LJQANCHMSA-N 0 0 475.659 3.367 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001492372435 1065438957 /nfs/dbraw/zinc/43/89/57/1065438957.db2.gz ZVSSPEQNTZAISX-CPJSRVTESA-N 0 0 487.670 3.022 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(CC(=O)N4CCCC4)CC3)n2CCC(C)C)cc1 ZINC001492377206 1065440699 /nfs/dbraw/zinc/44/06/99/1065440699.db2.gz MUXKFQPTYJMXPM-UHFFFAOYSA-N 0 0 468.646 3.346 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001545691944 1065440836 /nfs/dbraw/zinc/44/08/36/1065440836.db2.gz LQBVEKTWBVSWOY-SFHVURJKSA-N 0 0 493.612 3.254 20 0 JGADRN Cc1nsc(N2CCCN(c3nnc(COc4ccc(C)cc4)n3C[C@@](C)(O)C(C)C)CC2)n1 ZINC001492377853 1065442353 /nfs/dbraw/zinc/44/23/53/1065442353.db2.gz WRGMQVZTOIYGMC-XMMPIXPASA-N 0 0 485.658 3.449 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCNC(=O)C(C)C)cc1 ZINC001492378726 1065443116 /nfs/dbraw/zinc/44/31/16/1065443116.db2.gz NZHMDZAPBFPHEG-UHFFFAOYSA-N 0 0 484.645 3.023 20 0 JGADRN Cc1noc(C)c1CCn1c(COc2ccc(C)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001492378352 1065443195 /nfs/dbraw/zinc/44/31/95/1065443195.db2.gz LDTFHBNBOXDDDZ-OAQYLSRUSA-N 0 0 487.626 3.417 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]4CCC[C@H]43)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001492379411 1065443843 /nfs/dbraw/zinc/44/38/43/1065443843.db2.gz RBEHKSVBZUPIGA-PZJWPPBQSA-N 0 0 461.632 3.262 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H]4CCC[C@@H]43)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001492379402 1065443864 /nfs/dbraw/zinc/44/38/64/1065443864.db2.gz RBEHKSVBZUPIGA-CTNGQTDRSA-N 0 0 461.632 3.262 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492391209 1065444744 /nfs/dbraw/zinc/44/47/44/1065444744.db2.gz PNORWCIXNGZUBA-UHFFFAOYSA-N 0 0 482.551 3.155 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCCOC(C)C)cc1 ZINC001492379643 1065444788 /nfs/dbraw/zinc/44/47/88/1065444788.db2.gz UDBLQTBGTOAPMD-NRFANRHFSA-N 0 0 464.632 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC001492382792 1065445306 /nfs/dbraw/zinc/44/53/06/1065445306.db2.gz DEFAUBWJTHYAPB-CVDCTZTESA-N 0 0 455.603 3.285 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)cc1C ZINC001492383035 1065446195 /nfs/dbraw/zinc/44/61/95/1065446195.db2.gz IYXYWKCPHBMGQR-SANMLTNESA-N 0 0 498.628 3.009 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@](C)(O)c2ccco2)cc1 ZINC001492383031 1065446311 /nfs/dbraw/zinc/44/63/11/1065446311.db2.gz IWEIQVRNTYQDBI-AREMUKBSSA-N 0 0 496.612 3.296 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC(=O)NCC2CC2)cc1C ZINC001492383152 1065447039 /nfs/dbraw/zinc/44/70/39/1065447039.db2.gz MCVLSPSRLUJJQI-GOSISDBHSA-N 0 0 494.562 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@](C)(O)C2CC2)cc1 ZINC001492384099 1065450400 /nfs/dbraw/zinc/45/04/00/1065450400.db2.gz DILCNVIHTOYXTR-VGSWGCGISA-N 0 0 467.536 3.399 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCC2(O)CCC2)cc1C ZINC001492384609 1065451305 /nfs/dbraw/zinc/45/13/05/1065451305.db2.gz IKSPRCHTCZIWBO-OAQYLSRUSA-N 0 0 469.630 3.472 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4ccc(F)cn4)CC3)n2CCCCCO)cc1C ZINC001492384368 1065451458 /nfs/dbraw/zinc/45/14/58/1065451458.db2.gz GIBHRPVVYQHRAO-UHFFFAOYSA-N 0 0 468.577 3.497 20 0 JGADRN Cc1nc(N2CCN(c3nnc(COc4ccc(C)cc4)n3CC(=O)NC(C)C)CC2)sc1C ZINC001492385274 1065452197 /nfs/dbraw/zinc/45/21/97/1065452197.db2.gz PKXJPSHEMXJJOW-UHFFFAOYSA-N 0 0 483.642 3.090 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCn2cc(Cl)cn2)cc1C ZINC001492384972 1065452273 /nfs/dbraw/zinc/45/22/73/1065452273.db2.gz NMHHICVLEYYVDT-UHFFFAOYSA-N 0 0 486.020 3.329 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C4CCCCC4)C(=O)C3)n2CCOCC(F)F)cc1 ZINC001492385365 1065453093 /nfs/dbraw/zinc/45/30/93/1065453093.db2.gz QXRQKZRILSCILV-UHFFFAOYSA-N 0 0 477.556 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@]4(C)C3)n2CCCOC(F)(F)F)cc1C ZINC001492390817 1065455512 /nfs/dbraw/zinc/45/55/12/1065455512.db2.gz BTXXTRBIWZBYRL-OAQYLSRUSA-N 0 0 483.491 3.431 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCOCCC(C)C)cc1C ZINC001492390891 1065456527 /nfs/dbraw/zinc/45/65/27/1065456527.db2.gz FJTCFMCODVLCET-NRFANRHFSA-N 0 0 470.618 3.093 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492343857 1065458126 /nfs/dbraw/zinc/45/81/26/1065458126.db2.gz HCTBCETWNGSLAU-AMDXRBSFSA-N 0 0 458.603 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCCOCC(C)C)cc1C ZINC001492344473 1065458844 /nfs/dbraw/zinc/45/88/44/1065458844.db2.gz NILVHCWTXVYEPU-RBBKRZOGSA-N 0 0 455.603 3.251 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492345105 1065459624 /nfs/dbraw/zinc/45/96/24/1065459624.db2.gz AMQSHYUHDLRWSV-BVZFJXPGSA-N 0 0 486.617 3.028 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC(=O)NC(C)C)cc1C ZINC001492344972 1065459687 /nfs/dbraw/zinc/45/96/87/1065459687.db2.gz SLOQBEAQRKKZAK-UHFFFAOYSA-N 0 0 481.519 3.346 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CCC(C)(C)O)cc1C ZINC001492346171 1065461120 /nfs/dbraw/zinc/46/11/20/1065461120.db2.gz ZITLCRUWNWMEGF-FQEVSTJZSA-N 0 0 458.603 3.409 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cc1 ZINC001492345649 1065461169 /nfs/dbraw/zinc/46/11/69/1065461169.db2.gz DWKDZFZVRMVZTK-IRFCIJBXSA-N 0 0 498.628 3.123 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC(C)(C)C3)n2CC[C@H](C(F)F)N2CCOCC2)cc1C ZINC001492391949 1065463446 /nfs/dbraw/zinc/46/34/46/1065463446.db2.gz GNFNLGCOTNERFT-OAQYLSRUSA-N 0 0 493.599 3.445 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cc1C ZINC001492392300 1065464349 /nfs/dbraw/zinc/46/43/49/1065464349.db2.gz WRDNAWLMNQVHGC-RXVVDRJESA-N 0 0 498.628 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cc1C ZINC001492392303 1065464508 /nfs/dbraw/zinc/46/45/08/1065464508.db2.gz WRDNAWLMNQVHGC-WIYYLYMNSA-N 0 0 498.628 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(C)(C)N2CCOCC2)cc1C ZINC001492393823 1065465944 /nfs/dbraw/zinc/46/59/44/1065465944.db2.gz MTTXZHXBVJFJDC-FQEVSTJZSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCNC(=O)c2cccs2)cc1 ZINC001492394704 1065466868 /nfs/dbraw/zinc/46/68/68/1065466868.db2.gz PXHNVPYVXXDTCS-UHFFFAOYSA-N 0 0 455.584 3.272 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCNC(=O)C2CCC2)cc1 ZINC001492395449 1065467672 /nfs/dbraw/zinc/46/76/72/1065467672.db2.gz SPENCHGCYURCSZ-LJQANCHMSA-N 0 0 455.603 3.476 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC(C)(C)NC(=O)OC(C)(C)C)cc1C ZINC001492399513 1065468486 /nfs/dbraw/zinc/46/84/86/1065468486.db2.gz BFUWCVXVAUKLTF-UHFFFAOYSA-N 0 0 491.658 3.346 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CCc2cn[nH]c2)cc1C ZINC001492400378 1065469237 /nfs/dbraw/zinc/46/92/37/1065469237.db2.gz IDLISDBNHGHEOM-JOCHJYFZSA-N 0 0 454.575 3.070 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001492401513 1065471004 /nfs/dbraw/zinc/47/10/04/1065471004.db2.gz LEYJUTFBFVYBTF-ZCMPIJENSA-N 0 0 487.670 3.078 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CC[S@@](=O)C(C)(C)C)cc1C ZINC001492401510 1065471111 /nfs/dbraw/zinc/47/11/11/1065471111.db2.gz LEYJUTFBFVYBTF-BINLBTFHSA-N 0 0 487.670 3.078 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOCC3)n2CCOc2cccc(C(F)(F)F)n2)cc1 ZINC001492402869 1065473396 /nfs/dbraw/zinc/47/33/96/1065473396.db2.gz XBGXCJGMCSLDAX-UHFFFAOYSA-N 0 0 463.460 3.495 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCSC(F)(F)F)cc1 ZINC001492403022 1065473418 /nfs/dbraw/zinc/47/34/18/1065473418.db2.gz YRCXGIRZJDRJJK-WBVHZDCISA-N 0 0 469.533 3.381 20 0 JGADRN Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCCCOc1ccc(C)cc1 ZINC001492408011 1065474229 /nfs/dbraw/zinc/47/42/29/1065474229.db2.gz JQBHROOAOYJFKB-UHFFFAOYSA-N 0 0 468.646 3.279 20 0 JGADRN Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CCC3(CCN(C)C3=O)CC2)cc1 ZINC001492409955 1065475368 /nfs/dbraw/zinc/47/53/68/1065475368.db2.gz ZEISRDMQCRKNTA-UHFFFAOYSA-N 0 0 482.629 3.033 20 0 JGADRN Cc1ccc(OCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C(C)C)C2)cc1 ZINC001492412663 1065476325 /nfs/dbraw/zinc/47/63/25/1065476325.db2.gz WGCPLWGCNSNTIE-ICSRJNTNSA-N 0 0 481.688 3.244 20 0 JGADRN Cc1ccc(OCCCn2c(-c3cccn3C)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 ZINC001492416229 1065477179 /nfs/dbraw/zinc/47/71/79/1065477179.db2.gz INVFWZBFVCXGHV-UHFFFAOYSA-N 0 0 450.587 3.366 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(C)cc2)cs1 ZINC001492417935 1065477837 /nfs/dbraw/zinc/47/78/37/1065477837.db2.gz WWRWOGQGROFTIJ-IBGZPJMESA-N 0 0 475.640 3.035 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2([S@](C)=O)CCC2)cc1 ZINC001492418988 1065479473 /nfs/dbraw/zinc/47/94/73/1065479473.db2.gz OXDKWZUESQLTTE-UMSFTDKQSA-N 0 0 482.610 3.050 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001492421511 1065482857 /nfs/dbraw/zinc/48/28/57/1065482857.db2.gz RCIWVSGQNKLUNJ-UHFFFAOYSA-N 0 0 481.601 3.369 20 0 JGADRN Cc1ccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC001492424209 1065482906 /nfs/dbraw/zinc/48/29/06/1065482906.db2.gz FXHVXQBLVZIBCV-RTWAWAEBSA-N 0 0 455.603 3.447 20 0 JGADRN Cc1ccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001492424730 1065483782 /nfs/dbraw/zinc/48/37/82/1065483782.db2.gz NCBFZQGWZQAFFW-IBGZPJMESA-N 0 0 486.617 3.249 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(Cc3ccsc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492424958 1065483792 /nfs/dbraw/zinc/48/37/92/1065483792.db2.gz OWIDYANQBMRPHX-FQEVSTJZSA-N 0 0 489.667 3.036 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCCO3)n2CC2CC(F)(F)C2)cc1 ZINC001492429442 1065487338 /nfs/dbraw/zinc/48/73/38/1065487338.db2.gz IRCDUFSDOICMHR-LJQANCHMSA-N 0 0 483.585 3.288 20 0 JGADRN Cc1ccc(OCCn2c(N3CCN(CC(C)C)C(=O)[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001492429381 1065487384 /nfs/dbraw/zinc/48/73/84/1065487384.db2.gz HSBUHPDCQWDRIU-WXVAWEFUSA-N 0 0 499.656 3.399 20 0 JGADRN Cc1ccc(OCCn2c(N3CCN(CC(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001492430397 1065488156 /nfs/dbraw/zinc/48/81/56/1065488156.db2.gz NYSAFUBPLAJSAD-UHFFFAOYSA-N 0 0 468.646 3.098 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCCO3)n2CC2(C)CCOCC2)cc1 ZINC001492431960 1065488967 /nfs/dbraw/zinc/48/89/67/1065488967.db2.gz UTUYCTJSEKZEJG-OAQYLSRUSA-N 0 0 491.658 3.060 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccc3F)nnc2N2CCS[C@@H](C)C2)s1 ZINC001492436962 1065492146 /nfs/dbraw/zinc/49/21/46/1065492146.db2.gz NQIZRTJPQZKHOM-INIZCTEOSA-N 0 0 495.671 3.298 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CCC(C)(C)O)cc1 ZINC001492436967 1065492235 /nfs/dbraw/zinc/49/22/35/1065492235.db2.gz NUYBFGSLPAPAIG-SJORKVTESA-N 0 0 454.662 3.298 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2C[C@H](C)CC(C)(C)C2)s1 ZINC001492437411 1065492831 /nfs/dbraw/zinc/49/28/31/1065492831.db2.gz AFXYTKMOWPNXIL-SJLPKXTDSA-N 0 0 481.688 3.393 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccccc2C)s1 ZINC001492437386 1065492885 /nfs/dbraw/zinc/49/28/85/1065492885.db2.gz AESJOLBTAYSTBB-FQEVSTJZSA-N 0 0 489.667 3.465 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3F)nnc2N(C)[C@H]2CCSC2)s1 ZINC001492437515 1065493589 /nfs/dbraw/zinc/49/35/89/1065493589.db2.gz BSZAQBATTCUNCH-HNNXBMFYSA-N 0 0 481.644 3.374 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@]2(O)CCSC2)cc1 ZINC001492437581 1065494537 /nfs/dbraw/zinc/49/45/37/1065494537.db2.gz YKXQHUDBKBUINA-LLGFUMIMSA-N 0 0 484.713 3.005 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@]2(O)CCSC2)cc1 ZINC001492437582 1065494564 /nfs/dbraw/zinc/49/45/64/1065494564.db2.gz YKXQHUDBKBUINA-LZJOCLMNSA-N 0 0 484.713 3.005 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCCCO3)nnc2N(C)CCC2CC2)s1 ZINC001492438343 1065495090 /nfs/dbraw/zinc/49/50/90/1065495090.db2.gz ISSLADAWJDKZFT-KRWDZBQOSA-N 0 0 453.634 3.104 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cccnc3)nnc2N2CC[C@H](C)[C@H](C)C2)s1 ZINC001492437965 1065495135 /nfs/dbraw/zinc/49/51/35/1065495135.db2.gz FAVOXCLMTPJHJE-JKSUJKDBSA-N 0 0 460.629 3.171 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccsc2)s1 ZINC001492439973 1065495981 /nfs/dbraw/zinc/49/59/81/1065495981.db2.gz NTCJQIJFPWYELK-UHFFFAOYSA-N 0 0 462.626 3.320 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC3CCCC3)n2CC(F)(F)F)cc1 ZINC001492438402 1065496035 /nfs/dbraw/zinc/49/60/35/1065496035.db2.gz JUYLGJXGGBZHFH-UHFFFAOYSA-N 0 0 459.538 3.296 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(C(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492438390 1065496040 /nfs/dbraw/zinc/49/60/40/1065496040.db2.gz JMVGGUCSKPXIOF-INIZCTEOSA-N 0 0 455.650 3.001 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)C)n2C[C@@H]2CC[C@@H](F)C2)cc1 ZINC001492440206 1065496774 /nfs/dbraw/zinc/49/67/74/1065496774.db2.gz PPLBFYOJOYAIHX-RTBURBONSA-N 0 0 451.612 3.338 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C2CC2)cc1 ZINC001492443172 1065499809 /nfs/dbraw/zinc/49/98/09/1065499809.db2.gz ZGSITRKALKBDCN-WOJBJXKFSA-N 0 0 461.632 3.255 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2CCCN2CCOCC2)cc1 ZINC001492446003 1065500451 /nfs/dbraw/zinc/50/04/51/1065500451.db2.gz NOHYLDZLIAQGST-UHFFFAOYSA-N 0 0 453.616 3.028 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001492446550 1065500476 /nfs/dbraw/zinc/50/04/76/1065500476.db2.gz PUYZXDARFANYFP-LEWJYISDSA-N 0 0 487.670 3.379 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001492448743 1065501557 /nfs/dbraw/zinc/50/15/57/1065501557.db2.gz HOGSONVPHMLSOY-WOJBJXKFSA-N 0 0 493.699 3.166 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCN3CCOCC3)n2C[C@@H]2CSCCS2)cc1 ZINC001492448730 1065501566 /nfs/dbraw/zinc/50/15/66/1065501566.db2.gz HFPBZEQSAPLURB-HXUWFJFHSA-N 0 0 479.741 3.496 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCOC3)n2CC2(CS(C)(=O)=O)CC2)cc1 ZINC001492448801 1065501710 /nfs/dbraw/zinc/50/17/10/1065501710.db2.gz IPNWHIUZZBRHFW-GOSISDBHSA-N 0 0 464.657 3.176 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@H]2CCOC2)cc1 ZINC001492448949 1065502078 /nfs/dbraw/zinc/50/20/78/1065502078.db2.gz NSRRXMAYDFWAAI-FQEVSTJZSA-N 0 0 459.660 3.462 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001492448961 1065502248 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ZINC001492456925 1065506890 /nfs/dbraw/zinc/50/68/90/1065506890.db2.gz SOVWIFAAKOQSMA-UHFFFAOYSA-N 0 0 451.662 3.443 20 0 JGADRN Cc1n[nH]cc1CCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001492459642 1065507410 /nfs/dbraw/zinc/50/74/10/1065507410.db2.gz FEGNXUOPDFPJKK-HXUWFJFHSA-N 0 0 474.656 3.166 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@@H]2C[C@H]2C)cc1 ZINC001492459361 1065507499 /nfs/dbraw/zinc/50/74/99/1065507499.db2.gz CGPLNGLZOZZTBJ-MJGOQNOKSA-N 0 0 463.673 3.300 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CC(F)(F)F)cc1 ZINC001492460260 1065508474 /nfs/dbraw/zinc/50/84/74/1065508474.db2.gz SAOAMXRBVACSKQ-UHFFFAOYSA-N 0 0 450.490 3.098 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCOC2CCOCC2)cc1 ZINC001492460326 1065508549 /nfs/dbraw/zinc/50/85/49/1065508549.db2.gz UVUUAPCEAMGFOP-NRFANRHFSA-N 0 0 494.683 3.088 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001492460526 1065509277 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COCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001301171554 1066005499 /nfs/dbraw/zinc/00/54/99/1066005499.db2.gz MDYHXTWBAWEHMM-QZTJIDSGSA-N 0 0 461.632 3.100 20 0 JGADRN COCc1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC001301172433 1066006128 /nfs/dbraw/zinc/00/61/28/1066006128.db2.gz WUVDGVQVPDUOIC-NMLACTOBSA-N 0 0 484.519 3.353 20 0 JGADRN COCc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(C)=O)CC1 ZINC001301173425 1066006999 /nfs/dbraw/zinc/00/69/99/1066006999.db2.gz FWUHEPXPWDCJBL-UHFFFAOYSA-N 0 0 487.402 3.289 20 0 JGADRN COCc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCCN(C(=O)C(C)C)CC2)c1 ZINC001301173490 1066007137 /nfs/dbraw/zinc/00/71/37/1066007137.db2.gz PKZHNVKYCPCMGH-QFIPXVFZSA-N 0 0 455.603 3.409 20 0 JGADRN COCc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001301174073 1066007483 /nfs/dbraw/zinc/00/74/83/1066007483.db2.gz KYHUHUHNJYWPMR-OYRHEFFESA-N 0 0 464.614 3.389 20 0 JGADRN 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JTYZBUGJLBOHAD-UHFFFAOYSA-N 0 0 488.308 3.169 20 0 JGADRN COCC1=CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCC(F)F)CC1 ZINC001301184952 1066015239 /nfs/dbraw/zinc/01/52/39/1066015239.db2.gz YMSIFECVSAZHLM-UHFFFAOYSA-N 0 0 460.323 3.111 20 0 JGADRN COCC1=CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(O)CCOCC2)CC1 ZINC001301185984 1066015615 /nfs/dbraw/zinc/01/56/15/1066015615.db2.gz UBQJNDZNBHTFSQ-UHFFFAOYSA-N 0 0 477.403 3.340 20 0 JGADRN COCC1=CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001301189249 1066019194 /nfs/dbraw/zinc/01/91/94/1066019194.db2.gz ZEATZRKEXQXBHG-CJAUYULYSA-N 0 0 472.586 3.064 20 0 JGADRN COCC1=CCN(c2nnc(Cc3ccccc3C)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001301194984 1066021901 /nfs/dbraw/zinc/02/19/01/1066021901.db2.gz CCEBMRNRSKHGKO-UHFFFAOYSA-N 0 0 458.628 3.318 20 0 JGADRN CCOC(=O)[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H](O)c1ccc(Cl)cc1 ZINC001301200627 1066026131 /nfs/dbraw/zinc/02/61/31/1066026131.db2.gz GJQFTBMQSYHPME-NLCWTHGUSA-N 0 0 468.978 3.314 20 0 JGADRN CCOC(=O)[C@H](NC(=O)c1sc(N2CCCC2)nc1Cl)[C@H](O)c1ccc(Cl)cc1 ZINC001301200763 1066026141 /nfs/dbraw/zinc/02/61/41/1066026141.db2.gz LQBJWIPTRKDXEH-ZIAGYGMSSA-N 0 0 458.367 3.445 20 0 JGADRN COc1c(F)cc(CC(=O)Nc2ccc(OC(F)(F)F)cc2Cl)cc1S(N)(=O)=O ZINC001301200915 1066026230 /nfs/dbraw/zinc/02/62/30/1066026230.db2.gz KGTMHYFVAKUUFH-UHFFFAOYSA-N 0 0 456.801 3.215 20 0 JGADRN C[C@]1(C(F)F)CN(C(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCO1 ZINC001301201673 1066026655 /nfs/dbraw/zinc/02/66/55/1066026655.db2.gz VSAXIBQNSMUEDR-GOSISDBHSA-N 0 0 450.935 3.204 20 0 JGADRN COCC1=CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001301203033 1066027632 /nfs/dbraw/zinc/02/76/32/1066027632.db2.gz AIRTXLVFMDQLAH-UHFFFAOYSA-N 0 0 481.622 3.417 20 0 JGADRN COCc1nc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)cs1 ZINC001301205368 1066029164 /nfs/dbraw/zinc/02/91/64/1066029164.db2.gz IWCPAABSWCRXPR-MRXNPFEDSA-N 0 0 470.599 3.371 20 0 JGADRN COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2c(F)cccc2Cl)cs1 ZINC001301205623 1066029174 /nfs/dbraw/zinc/02/91/74/1066029174.db2.gz KLLXUIJDEJGBQG-UHFFFAOYSA-N 0 0 466.970 3.496 20 0 JGADRN COCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](C)C(C)(C)C2)cs1 ZINC001301205401 1066029196 /nfs/dbraw/zinc/02/91/96/1066029196.db2.gz JBMVBHWBEJDSHO-OAHLLOKOSA-N 0 0 455.588 3.449 20 0 JGADRN CN(CC(=O)NCC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1C=O ZINC001301205349 1066029206 /nfs/dbraw/zinc/02/92/06/1066029206.db2.gz SANABFXLGPDWCZ-UHFFFAOYSA-N 0 0 455.477 3.470 20 0 JGADRN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001301205822 1066029508 /nfs/dbraw/zinc/02/95/08/1066029508.db2.gz YRAQFVJMTDBECU-QUCCMNQESA-N 0 0 453.486 3.359 20 0 JGADRN COCc1nc(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC001301206373 1066030335 /nfs/dbraw/zinc/03/03/35/1066030335.db2.gz GVEDYAHNBFUMJJ-INIZCTEOSA-N 0 0 485.614 3.437 20 0 JGADRN COCc1nc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2cnn(C)c2C)cs1 ZINC001301207199 1066031061 /nfs/dbraw/zinc/03/10/61/1066031061.db2.gz YXXUBXVZIIKCPS-UHFFFAOYSA-N 0 0 494.625 3.477 20 0 JGADRN COCc1nc(Cn2c(-c3cccc(OC)c3)nnc2N(C)CC2COC(C)(C)OC2)cs1 ZINC001301208575 1066032501 /nfs/dbraw/zinc/03/25/01/1066032501.db2.gz XSTFLXRSEATXCW-UHFFFAOYSA-N 0 0 473.599 3.440 20 0 JGADRN COCc1nc(Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)cs1 ZINC001301209184 1066032688 /nfs/dbraw/zinc/03/26/88/1066032688.db2.gz CVOVXYIGXKVQPE-AWEZNQCLSA-N 0 0 469.537 3.008 20 0 JGADRN COCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2cccs2)cs1 ZINC001301210083 1066033753 /nfs/dbraw/zinc/03/37/53/1066033753.db2.gz MGKKVJINENRVDB-KGLIPLIRSA-N 0 0 467.642 3.090 20 0 JGADRN COCc1nc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(O)(C(F)(F)F)CC2)cs1 ZINC001301209880 1066033796 /nfs/dbraw/zinc/03/37/96/1066033796.db2.gz KNYJIKQTLIOMCR-UHFFFAOYSA-N 0 0 468.505 3.193 20 0 JGADRN COCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2cccs2)cs1 ZINC001301210081 1066033818 /nfs/dbraw/zinc/03/38/18/1066033818.db2.gz MGKKVJINENRVDB-KBPBESRZSA-N 0 0 467.642 3.090 20 0 JGADRN COCc1nc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)cs1 ZINC001301210246 1066034133 /nfs/dbraw/zinc/03/41/33/1066034133.db2.gz OIVXUGGTGOGMGE-MRXNPFEDSA-N 0 0 478.525 3.118 20 0 JGADRN COCc1nc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cs1 ZINC001301210432 1066034197 /nfs/dbraw/zinc/03/41/97/1066034197.db2.gz QXUOKIQCRKTSSU-OAHLLOKOSA-N 0 0 470.521 3.483 20 0 JGADRN COCc1nc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)cs1 ZINC001301210313 1066034222 /nfs/dbraw/zinc/03/42/22/1066034222.db2.gz QCJUYYXMRBZVSE-HNNXBMFYSA-N 0 0 457.604 3.056 20 0 JGADRN CC1(C)CO[C@@H](CC(=O)N2CCC(c3nc(CNC(=O)OCc4ccccc4)n[nH]3)CC2)C1 ZINC001301210682 1066034691 /nfs/dbraw/zinc/03/46/91/1066034691.db2.gz CLCRZMCAWFPBRP-IBGZPJMESA-N 0 0 455.559 3.142 20 0 JGADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H]3c3nc[nH]n3)ccc2C)cc1 ZINC001301212845 1066036610 /nfs/dbraw/zinc/03/66/10/1066036610.db2.gz HRALZTHVROWTTL-IBGZPJMESA-N 0 0 455.540 3.290 20 0 JGADRN COCc1nc(Cn2c(CC(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)cs1 ZINC001301213240 1066036979 /nfs/dbraw/zinc/03/69/79/1066036979.db2.gz UFUIUXBNUGPYML-UHFFFAOYSA-N 0 0 463.677 3.131 20 0 JGADRN COCc1nc(Cn2c(N3CCN(C(=O)C4CCCCC4)CC3)nnc2C(C)(C)C)cs1 ZINC001301214439 1066037290 /nfs/dbraw/zinc/03/72/90/1066037290.db2.gz GYPDBETZHVBBDU-UHFFFAOYSA-N 0 0 460.648 3.456 20 0 JGADRN COCc1noc(CN2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(Cl)c3)CC2)n1 ZINC001301214383 1066037379 /nfs/dbraw/zinc/03/73/79/1066037379.db2.gz GECBDQLJOLBGSC-UHFFFAOYSA-N 0 0 459.982 3.129 20 0 JGADRN COCc1nc(Cn2c(COc3cc(C)ccc3C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cs1 ZINC001301214337 1066037469 /nfs/dbraw/zinc/03/74/69/1066037469.db2.gz FHWQSHYTKXRLGB-FQEVSTJZSA-N 0 0 498.653 3.430 20 0 JGADRN COCc1nc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCOC(C)(C)C2)cs1 ZINC001301215012 1066037841 /nfs/dbraw/zinc/03/78/41/1066037841.db2.gz MZPCYKNNOBXHOR-IYBDPMFKSA-N 0 0 492.646 3.315 20 0 JGADRN COCc1nc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H](NC(C)=O)C2)cs1 ZINC001301215031 1066037854 /nfs/dbraw/zinc/03/78/54/1066037854.db2.gz NKKHDDJVWNVBFQ-IBGZPJMESA-N 0 0 484.626 3.230 20 0 JGADRN COCc1nc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C(F)(F)F)C2)cs1 ZINC001301215286 1066038082 /nfs/dbraw/zinc/03/80/82/1066038082.db2.gz OWONZJMHUSVTSF-MRXNPFEDSA-N 0 0 487.479 3.415 20 0 JGADRN COCc1noc(CN2CCN(c3nnc(-c4ccccc4Br)n3CC(C)C)CC2)n1 ZINC001301216121 1066038948 /nfs/dbraw/zinc/03/89/48/1066038948.db2.gz HZMONYHAHWJEJQ-UHFFFAOYSA-N 0 0 490.406 3.215 20 0 JGADRN COCc1noc(CN2CCN(c3nnc(CC(C)(C)C)n3CCc3cc(C)ccc3OC)CC2)n1 ZINC001301216540 1066039365 /nfs/dbraw/zinc/03/93/65/1066039365.db2.gz MHCKTWOGQMFJBZ-UHFFFAOYSA-N 0 0 497.644 3.278 20 0 JGADRN COCc1noc(CN2CCN(c3nnc(CC(C)(C)C)n3Cc3ccccc3C)CC2)n1 ZINC001301217291 1066039735 /nfs/dbraw/zinc/03/97/35/1066039735.db2.gz VHAALXKVZTWUAZ-UHFFFAOYSA-N 0 0 453.591 3.075 20 0 JGADRN COCc1noc(CN2CCN(c3nnc(COc4ccc(Cl)cc4)n3CC(C)C)CC2)n1 ZINC001301217305 1066039747 /nfs/dbraw/zinc/03/97/47/1066039747.db2.gz VPTYLWFHYMNOOG-UHFFFAOYSA-N 0 0 475.981 3.018 20 0 JGADRN COCc1nocc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CCCO)CC1 ZINC001301218092 1066039903 /nfs/dbraw/zinc/03/99/03/1066039903.db2.gz ACTVQUBBIMOYIV-UHFFFAOYSA-N 0 0 493.406 3.218 20 0 JGADRN COCc1nocc1Cn1c(-c2ccc(Br)s2)nnc1N1CCCN(C(C)=O)CC1 ZINC001301218225 1066040003 /nfs/dbraw/zinc/04/00/03/1066040003.db2.gz CYIWDVHJAGJFFQ-UHFFFAOYSA-N 0 0 495.403 3.010 20 0 JGADRN COCc1nocc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001301219098 1066040280 /nfs/dbraw/zinc/04/02/80/1066040280.db2.gz KJAPKPBFKKIAJS-INIZCTEOSA-N 0 0 457.531 3.008 20 0 JGADRN COCc1nocc1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001301220097 1066041108 /nfs/dbraw/zinc/04/11/08/1066041108.db2.gz NDXWAVCXHMGWGL-SFHVURJKSA-N 0 0 475.553 3.179 20 0 JGADRN COCc1nocc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(N)=O)CC1 ZINC001301220262 1066041383 /nfs/dbraw/zinc/04/13/83/1066041383.db2.gz SJJVPYWPVBXEFL-UHFFFAOYSA-N 0 0 462.913 3.012 20 0 JGADRN COCc1nocc1Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001301221098 1066041699 /nfs/dbraw/zinc/04/16/99/1066041699.db2.gz WLYYOWDPBFSWIJ-UHFFFAOYSA-N 0 0 463.542 3.158 20 0 JGADRN COCc1nocc1Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001301221027 1066041712 /nfs/dbraw/zinc/04/17/12/1066041712.db2.gz ZRRXUWJQLFQMFR-HNNXBMFYSA-N 0 0 480.491 3.209 20 0 JGADRN COCc1nocc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1C(C)C ZINC001301221058 1066041809 /nfs/dbraw/zinc/04/18/09/1066041809.db2.gz ZSRHOEBLYHLQHL-OAQYLSRUSA-N 0 0 488.614 3.003 20 0 JGADRN COCc1nocc1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001301223738 1066043563 /nfs/dbraw/zinc/04/35/63/1066043563.db2.gz CUUBNHWZPUPFCU-NSHDSACASA-N 0 0 458.466 3.076 20 0 JGADRN COCc1nocc1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001301224023 1066043996 /nfs/dbraw/zinc/04/39/96/1066043996.db2.gz MCVJVQYTDXQMIN-UHFFFAOYSA-N 0 0 459.982 3.424 20 0 JGADRN COCc1nocc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001301224756 1066044405 /nfs/dbraw/zinc/04/44/05/1066044405.db2.gz AGMDKUWAXPEPEP-QGZVFWFLSA-N 0 0 482.585 3.039 20 0 JGADRN COCc1nocc1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001301224990 1066044478 /nfs/dbraw/zinc/04/44/78/1066044478.db2.gz RUQVBLUBIVUSPZ-QGZVFWFLSA-N 0 0 496.593 3.048 20 0 JGADRN COCc1nocc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001301225106 1066044723 /nfs/dbraw/zinc/04/47/23/1066044723.db2.gz GBGWVFCWMFHLTO-LJQANCHMSA-N 0 0 497.600 3.188 20 0 JGADRN COCc1nocc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 ZINC001301225208 1066044856 /nfs/dbraw/zinc/04/48/56/1066044856.db2.gz WABXUSJRVQLVOJ-PXNSSMCTSA-N 0 0 490.605 3.396 20 0 JGADRN COCc1nocc1Cn1c(COc2ccccc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001301226054 1066045488 /nfs/dbraw/zinc/04/54/88/1066045488.db2.gz ACIZODLBXAHDSB-HOTGVXAUSA-N 0 0 459.572 3.379 20 0 JGADRN COCc1nocc1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@](C)(OC)C1 ZINC001301225857 1066045552 /nfs/dbraw/zinc/04/55/52/1066045552.db2.gz OMDPAVWMYKQBDD-QHCPKHFHSA-N 0 0 457.531 3.054 20 0 JGADRN COCc1nocc1Cn1c(COc2ccccc2OC)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001301226059 1066045628 /nfs/dbraw/zinc/04/56/28/1066045628.db2.gz ACIZODLBXAHDSB-JKSUJKDBSA-N 0 0 459.572 3.379 20 0 JGADRN COCc1nocc1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001301225617 1066045652 /nfs/dbraw/zinc/04/56/52/1066045652.db2.gz ZAXSYYYYUQIBHI-UHFFFAOYSA-N 0 0 455.485 3.438 20 0 JGADRN COCc1nocc1Cn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001301226973 1066046442 /nfs/dbraw/zinc/04/64/42/1066046442.db2.gz FLQJNYIFIMHSFK-FQEVSTJZSA-N 0 0 472.373 3.401 20 0 JGADRN COCc1nocc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001301228131 1066046712 /nfs/dbraw/zinc/04/67/12/1066046712.db2.gz XRCCJODAXWSIGZ-SFHVURJKSA-N 0 0 476.628 3.030 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2c(C)noc2C)C1 ZINC001301227370 1066046924 /nfs/dbraw/zinc/04/69/24/1066046924.db2.gz IHUCFOIDJQTPAZ-SFHVURJKSA-N 0 0 453.547 3.026 20 0 JGADRN COCc1nocc1Cn1c(N(C)[C@H](C)c2cccc(O)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001301228767 1066048059 /nfs/dbraw/zinc/04/80/59/1066048059.db2.gz WTJSNKRWLUAEOT-OSPHWJPCSA-N 0 0 471.558 3.404 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2Cc2csc(-c3ccco3)n2)C1 ZINC001301228749 1066048207 /nfs/dbraw/zinc/04/82/07/1066048207.db2.gz WKBAAMPFDXVCGD-INIZCTEOSA-N 0 0 458.588 3.434 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Cc2cccs2)C1 ZINC001301230073 1066049099 /nfs/dbraw/zinc/04/90/99/1066049099.db2.gz BUGLXFXALNYCCA-OKZBNKHCSA-N 0 0 469.677 3.082 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cscc2C(F)(F)F)C1 ZINC001301230611 1066049996 /nfs/dbraw/zinc/04/99/96/1066049996.db2.gz FXOGXDBTAMTHDB-ZIAGYGMSSA-N 0 0 495.593 3.270 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccc(F)cc3)CC2)C1 ZINC001301230986 1066050178 /nfs/dbraw/zinc/05/01/78/1066050178.db2.gz JXWRIDKKGUBFMX-ZWKOTPCHSA-N 0 0 479.622 3.012 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 ZINC001301231953 1066050738 /nfs/dbraw/zinc/05/07/38/1066050738.db2.gz NYRITKYXBHMQTM-YBJWPOLQSA-N 0 0 462.566 3.350 20 0 JGADRN COC[C@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(F)(F)F)cc2)C1 ZINC001301232483 1066051497 /nfs/dbraw/zinc/05/14/97/1066051497.db2.gz PGFXFBKGBKEXEK-WBVHZDCISA-N 0 0 489.564 3.208 20 0 JGADRN COC[C@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnccc2OC)C1 ZINC001301232583 1066051521 /nfs/dbraw/zinc/05/15/21/1066051521.db2.gz QBRWSEPTTFKKON-CYFREDJKSA-N 0 0 459.591 3.024 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(C(C)(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC001301232560 1066051562 /nfs/dbraw/zinc/05/15/62/1066051562.db2.gz PUQOQWGWAHPAPZ-OAQYLSRUSA-N 0 0 468.646 3.177 20 0 JGADRN COC[C@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2nc(C)cc2C)C1 ZINC001301232956 1066051897 /nfs/dbraw/zinc/05/18/97/1066051897.db2.gz RRKLXZMZKNWHFB-WIOPSUGQSA-N 0 0 474.650 3.475 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2nc(C)cc2C)C1 ZINC001301232954 1066051924 /nfs/dbraw/zinc/05/19/24/1066051924.db2.gz RRKLXZMZKNWHFB-RDGATRHJSA-N 0 0 474.650 3.475 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001301235636 1066053131 /nfs/dbraw/zinc/05/31/31/1066053131.db2.gz IKPRGEBFAUQYJQ-SYYKKAFVSA-N 0 0 455.603 3.370 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001301235635 1066053137 /nfs/dbraw/zinc/05/31/37/1066053137.db2.gz IKPRGEBFAUQYJQ-DWLFOUALSA-N 0 0 455.603 3.370 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3cnccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001301235679 1066053176 /nfs/dbraw/zinc/05/31/76/1066053176.db2.gz JACHUNYUNIBLRV-ZWKOTPCHSA-N 0 0 459.595 3.243 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2cnnn2)C1 ZINC001301235847 1066053466 /nfs/dbraw/zinc/05/34/66/1066053466.db2.gz DLQRSNNIXOYUND-OAHLLOKOSA-N 0 0 493.385 3.176 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3cccnc3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001301236506 1066053772 /nfs/dbraw/zinc/05/37/72/1066053772.db2.gz PRMOOHOTPSJUBW-OAQYLSRUSA-N 0 0 469.611 3.186 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 ZINC001301237559 1066054915 /nfs/dbraw/zinc/05/49/15/1066054915.db2.gz WSXAQSMSESBFKY-FPOVZHCZSA-N 0 0 478.588 3.257 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2cccc(OC)c2)C1 ZINC001301237577 1066055080 /nfs/dbraw/zinc/05/50/80/1066055080.db2.gz WYQLKEUHCICQEU-MOPGFXCFSA-N 0 0 454.575 3.408 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOC(C)C)C1 ZINC001301237809 1066055344 /nfs/dbraw/zinc/05/53/44/1066055344.db2.gz XQWWWJQBBSOTLO-LJQANCHMSA-N 0 0 478.663 3.306 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCNC(C)=O)C1 ZINC001301237653 1066055502 /nfs/dbraw/zinc/05/55/02/1066055502.db2.gz MWDJOAOCRSVHFT-QGZVFWFLSA-N 0 0 494.434 3.495 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(-c3ccccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 ZINC001301238053 1066055915 /nfs/dbraw/zinc/05/59/15/1066055915.db2.gz FOSVMVVUBYGFLV-HXUWFJFHSA-N 0 0 469.611 3.239 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(-c3ccccc3Br)n2CCS(C)(=O)=O)C1 ZINC001301240062 1066057877 /nfs/dbraw/zinc/05/78/77/1066057877.db2.gz OVVQEUDGGZNFCR-HNNXBMFYSA-N 0 0 471.421 3.005 20 0 JGADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC001301241265 1066059124 /nfs/dbraw/zinc/05/91/24/1066059124.db2.gz BXSPPWFBVBFYHD-MFEFFIJZSA-N 0 0 457.612 3.457 20 0 JGADRN CCS(=O)(=O)C1(CNC(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)CC1 ZINC001301241332 1066059261 /nfs/dbraw/zinc/05/92/61/1066059261.db2.gz GREGAAWYRHJRLG-UHFFFAOYSA-N 0 0 457.346 3.022 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)C1 ZINC001301243846 1066060337 /nfs/dbraw/zinc/06/03/37/1066060337.db2.gz DJFOWVUPDUUTCH-UXHICEINSA-N 0 0 464.607 3.205 20 0 JGADRN COC[C@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(C)cccc2C)C1 ZINC001301244768 1066060609 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FAIKTVURXKWGHB-KRWDZBQOSA-N 0 0 463.529 3.303 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)c2ccc(F)cc2)C1 ZINC001301248951 1066066122 /nfs/dbraw/zinc/06/61/22/1066066122.db2.gz KKSUQUNPZQNVED-WIYYLYMNSA-N 0 0 459.566 3.180 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC001301250200 1066067194 /nfs/dbraw/zinc/06/71/94/1066067194.db2.gz SGXPVNALENICGJ-FQEVSTJZSA-N 0 0 498.628 3.467 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC001301250201 1066067207 /nfs/dbraw/zinc/06/72/07/1066067207.db2.gz SGXPVNALENICGJ-HXUWFJFHSA-N 0 0 498.628 3.467 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2ccnn2)C1 ZINC001301250662 1066067522 /nfs/dbraw/zinc/06/75/22/1066067522.db2.gz FXNXLVDMRHJLJV-SFHVURJKSA-N 0 0 459.982 3.445 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C[S@](C)=O)cc2)C1 ZINC001301250428 1066067534 /nfs/dbraw/zinc/06/75/34/1066067534.db2.gz VCLZNMNVBNIVMQ-HUBRWUETSA-N 0 0 484.670 3.319 20 0 JGADRN 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DVUGRBIHLVGYBT-OAHLLOKOSA-N 0 0 480.407 3.057 20 0 JGADRN COC[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2COCCO2)C1 ZINC001301262169 1066077100 /nfs/dbraw/zinc/07/71/00/1066077100.db2.gz MOHVDHWMBIYPOR-LPHOPBHVSA-N 0 0 465.392 3.376 20 0 JGADRN COC[C@@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2ccnn2)C1 ZINC001301262624 1066077494 /nfs/dbraw/zinc/07/74/94/1066077494.db2.gz OMSCLSDMAGXHNX-OAHLLOKOSA-N 0 0 478.370 3.391 20 0 JGADRN COC[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001301262701 1066077508 /nfs/dbraw/zinc/07/75/08/1066077508.db2.gz OZWYCSUTYGNNRD-MRXNPFEDSA-N 0 0 497.459 3.395 20 0 JGADRN COC[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)C1 ZINC001301263038 1066077914 /nfs/dbraw/zinc/07/79/14/1066077914.db2.gz QHBMZVYURVUGGM-WMZOPIPTSA-N 0 0 484.988 3.477 20 0 JGADRN COC[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC2([S@](C)=O)CC2)C1 ZINC001301263173 1066078576 /nfs/dbraw/zinc/07/85/76/1066078576.db2.gz RODPPGWZDSUZNX-JMGYQRAPSA-N 0 0 467.433 3.482 20 0 JGADRN 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CC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cn1 ZINC001301787090 1066735325 /nfs/dbraw/zinc/73/53/25/1066735325.db2.gz SUPNQQSUGHDMCP-LJQANCHMSA-N 0 0 497.003 3.136 20 0 JGADRN CC(=O)Nc1ccc(Cn2c(-c3ccccn3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)cn1 ZINC001301787205 1066735722 /nfs/dbraw/zinc/73/57/22/1066735722.db2.gz WYJZMLRDSZCQMR-UHFFFAOYSA-N 0 0 492.584 3.047 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(F)F)C2)C1 ZINC001302224457 1066735726 /nfs/dbraw/zinc/73/57/26/1066735726.db2.gz LJDAGBSLBAWKEK-ULQDDVLXSA-N 0 0 482.576 3.358 20 0 JGADRN CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)cn1 ZINC001301787461 1066736234 /nfs/dbraw/zinc/73/62/34/1066736234.db2.gz DALUPWJQVUIFOL-UHFFFAOYSA-N 0 0 467.618 3.107 20 0 JGADRN CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001301787596 1066736295 /nfs/dbraw/zinc/73/62/95/1066736295.db2.gz FIHHFESDEVKVEA-GOSISDBHSA-N 0 0 471.606 3.372 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001302224860 1066736577 /nfs/dbraw/zinc/73/65/77/1066736577.db2.gz NCSXDPJCBBQNHK-IPMKNSEASA-N 0 0 476.622 3.011 20 0 JGADRN CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC001301788340 1066737616 /nfs/dbraw/zinc/73/76/16/1066737616.db2.gz NVVIXRILOPHQID-UHFFFAOYSA-N 0 0 496.015 3.494 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCOCC3)n2CCC(=O)NC2CCCCC2)C1 ZINC001302225426 1066737894 /nfs/dbraw/zinc/73/78/94/1066737894.db2.gz RECQGLHJNQLSGV-LJQANCHMSA-N 0 0 490.649 3.068 20 0 JGADRN CC(=O)Nc1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2CCCO[C@H](C)C2)cn1 ZINC001301788633 1066737984 /nfs/dbraw/zinc/73/79/84/1066737984.db2.gz KAEOSVQUWYDYRB-GOSISDBHSA-N 0 0 450.543 3.182 20 0 JGADRN COCCOCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ncc(Cl)n1C ZINC001302225788 1066738444 /nfs/dbraw/zinc/73/84/44/1066738444.db2.gz YNYKSNHCVAOJQI-UHFFFAOYSA-N 0 0 483.798 3.394 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c(C3CCC3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001302225810 1066738506 /nfs/dbraw/zinc/73/85/06/1066738506.db2.gz VEEVYNQTHJOTAE-GOSISDBHSA-N 0 0 460.623 3.285 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCOC(C)(C)C3)n2C[C@@H]2CCCOC2)C1 ZINC001302225839 1066738992 /nfs/dbraw/zinc/73/89/92/1066738992.db2.gz VIQFDCYXOUPYRG-RBUKOAKNSA-N 0 0 463.623 3.434 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001302226002 1066739386 /nfs/dbraw/zinc/73/93/86/1066739386.db2.gz XTOABSVTDIRISS-SFTDATJTSA-N 0 0 497.644 3.003 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCNC(=O)CC3)n2Cc2cccc(Cl)c2)C1 ZINC001302225918 1066739437 /nfs/dbraw/zinc/73/94/37/1066739437.db2.gz WIPNSVNKYOQNFJ-SFHVURJKSA-N 0 0 489.020 3.421 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCNC(=O)CC3)n2Cc2cccc(Cl)c2)C1 ZINC001302225916 1066739447 /nfs/dbraw/zinc/73/94/47/1066739447.db2.gz WIPNSVNKYOQNFJ-GOSISDBHSA-N 0 0 489.020 3.421 20 0 JGADRN COCCN(Cc1ccco1)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnn(C)n1 ZINC001301789339 1066739466 /nfs/dbraw/zinc/73/94/66/1066739466.db2.gz PLQQDDNYKZIZJV-UHFFFAOYSA-N 0 0 463.329 3.070 20 0 JGADRN COCCN(Cc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001301789868 1066739993 /nfs/dbraw/zinc/73/99/93/1066739993.db2.gz JHSPOBIVKRXEGJ-QGZVFWFLSA-N 0 0 473.578 3.180 20 0 JGADRN COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001302227408 1066740387 /nfs/dbraw/zinc/74/03/87/1066740387.db2.gz DGWYIQYAQPMYOT-IBGZPJMESA-N 0 0 476.375 3.277 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCC1(F)CCC1 ZINC001302227748 1066740906 /nfs/dbraw/zinc/74/09/06/1066740906.db2.gz FDHNPQWZDQCKFO-IRXDYDNUSA-N 0 0 485.626 3.256 20 0 JGADRN COCCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C ZINC001301790446 1066740984 /nfs/dbraw/zinc/74/09/84/1066740984.db2.gz ZCTPQNPNVYEEAD-UXHICEINSA-N 0 0 478.684 3.365 20 0 JGADRN COCCN(Cc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCS(=O)(=O)CC1 ZINC001301791007 1066741920 /nfs/dbraw/zinc/74/19/20/1066741920.db2.gz FRUPBMZQMPBQLT-NHCUHLMSSA-N 0 0 494.658 3.268 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(N)=O)CC1 ZINC001302228302 1066742268 /nfs/dbraw/zinc/74/22/68/1066742268.db2.gz OVYCGRWJFSHABV-UXHICEINSA-N 0 0 490.649 3.401 20 0 JGADRN COCCN(Cc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001301791347 1066742438 /nfs/dbraw/zinc/74/24/38/1066742438.db2.gz XQNGYGQKHYQLSC-QGZVFWFLSA-N 0 0 498.527 3.493 20 0 JGADRN COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001302228704 1066743187 /nfs/dbraw/zinc/74/31/87/1066743187.db2.gz BOYJRTLOQJBVEI-AZUAARDMSA-N 0 0 495.418 3.176 20 0 JGADRN COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001302228705 1066743399 /nfs/dbraw/zinc/74/33/99/1066743399.db2.gz BOYJRTLOQJBVEI-ICSRJNTNSA-N 0 0 495.418 3.176 20 0 JGADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCCO3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001301793658 1066743318 /nfs/dbraw/zinc/74/33/18/1066743318.db2.gz MAXGPXPLYSQXPN-MORSLUCNSA-N 0 0 453.465 3.292 20 0 JGADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCCO3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1 ZINC001301793657 1066743335 /nfs/dbraw/zinc/74/33/35/1066743335.db2.gz MAXGPXPLYSQXPN-FSPWUOQZSA-N 0 0 453.465 3.292 20 0 JGADRN CC(=O)Nc1ccc(Cn2c(N(C)C[C@H](C)c3nccs3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001301793586 1066743494 /nfs/dbraw/zinc/74/34/94/1066743494.db2.gz KRDJKBOOHKJQGW-BXKMTCNYSA-N 0 0 499.641 3.417 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCSCCCO ZINC001302228869 1066743682 /nfs/dbraw/zinc/74/36/82/1066743682.db2.gz WDUYRSUFPFHEPS-ZCNNSNEGSA-N 0 0 495.690 3.329 20 0 JGADRN COCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001302229591 1066744253 /nfs/dbraw/zinc/74/42/53/1066744253.db2.gz HJCPADTWNFYINL-HKUYNNGSSA-N 0 0 472.508 3.293 20 0 JGADRN CC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)c2nccs2)c1 ZINC001301794236 1066744372 /nfs/dbraw/zinc/74/43/72/1066744372.db2.gz SXHRITMPAIXNIJ-INIZCTEOSA-N 0 0 467.599 3.217 20 0 JGADRN CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)c1 ZINC001301794435 1066744428 /nfs/dbraw/zinc/74/44/28/1066744428.db2.gz FENBEXNSPISNFG-UHFFFAOYSA-N 0 0 467.618 3.258 20 0 JGADRN Cc1nc(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001301794402 1066744462 /nfs/dbraw/zinc/74/44/62/1066744462.db2.gz QYBKBWUXZSTFNQ-UHFFFAOYSA-N 0 0 453.734 3.315 20 0 JGADRN COCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1 ZINC001302230008 1066744750 /nfs/dbraw/zinc/74/47/50/1066744750.db2.gz QKKSDWJBSOKCOO-IBGZPJMESA-N 0 0 474.606 3.087 20 0 JGADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001301794726 1066744993 /nfs/dbraw/zinc/74/49/93/1066744993.db2.gz JCVMNZRQIYQODO-VGOFRKELSA-N 0 0 481.519 3.318 20 0 JGADRN CC(C)(C)OC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001302230149 1066745195 /nfs/dbraw/zinc/74/51/95/1066745195.db2.gz BFGSEQJKBQHELJ-UHFFFAOYSA-N 0 0 488.608 3.227 20 0 JGADRN CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001302230564 1066745536 /nfs/dbraw/zinc/74/55/36/1066745536.db2.gz GRGVHZSANDLXND-HNNXBMFYSA-N 0 0 484.935 3.475 20 0 JGADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(Br)c3)n2C[C@@H]2COCCO2)CC1 ZINC001301795161 1066745824 /nfs/dbraw/zinc/74/58/24/1066745824.db2.gz CYSWHYMJXFHUAP-SOAGJPPSSA-N 0 0 492.418 3.007 20 0 JGADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(C)(=O)=O)CC1 ZINC001301795654 1066746322 /nfs/dbraw/zinc/74/63/22/1066746322.db2.gz NNJHQAMCIXKLKC-VNCLNFNDSA-N 0 0 493.699 3.060 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCOCC2)n1CCOCc1ccccc1 ZINC001302231074 1066746553 /nfs/dbraw/zinc/74/65/53/1066746553.db2.gz DJMIEDKEGLRMFS-FQEVSTJZSA-N 0 0 457.575 3.404 20 0 JGADRN CC(C)(C)OC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccccc2)CC1 ZINC001302231038 1066746565 /nfs/dbraw/zinc/74/65/65/1066746565.db2.gz KKQBHOWNITWZRT-UHFFFAOYSA-N 0 0 464.570 3.400 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCCOCC2)n1CCCOC[C@@H]1CCOC1 ZINC001302231123 1066746607 /nfs/dbraw/zinc/74/66/07/1066746607.db2.gz FHFVGYSWUAXMLY-PMACEKPBSA-N 0 0 479.622 3.020 20 0 JGADRN CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC2)CC1 ZINC001302230911 1066746620 /nfs/dbraw/zinc/74/66/20/1066746620.db2.gz DEYRPVPXRLACCY-CQSZACIVSA-N 0 0 481.395 3.129 20 0 JGADRN COCCN(CC1CC1)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CN(C)C1=O ZINC001301795727 1066746849 /nfs/dbraw/zinc/74/68/49/1066746849.db2.gz KHRDLGMWVAWQLE-LJQANCHMSA-N 0 0 468.421 3.110 20 0 JGADRN CC(=O)Nc1cccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2cnccn2)c1 ZINC001301795817 1066746902 /nfs/dbraw/zinc/74/69/02/1066746902.db2.gz QKCHQZFAAXXLHD-UHFFFAOYSA-N 0 0 495.385 3.479 20 0 JGADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCNC(=O)C2)n1CCc1ccccc1Cl 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Cc1ccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCC(C)C)CC2)cc1C ZINC001304373198 1067411150 /nfs/dbraw/zinc/41/11/50/1067411150.db2.gz RENFPQRMDYAZMD-FQEVSTJZSA-N 0 0 462.664 3.268 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCO[C@@H]3C(C)C)CC2)cc1 ZINC001304373168 1067411188 /nfs/dbraw/zinc/41/11/88/1067411188.db2.gz PTLRFTLXASUHIK-RBBKRZOGSA-N 0 0 454.619 3.112 20 0 JGADRN Cc1noc(C)c1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1([S@@](C)=O)CC1 ZINC001304373679 1067411649 /nfs/dbraw/zinc/41/16/49/1067411649.db2.gz ADNBHSARCRKJFZ-MGBGTMOVSA-N 0 0 470.599 3.300 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOC[C@@H]1C ZINC001304374485 1067413409 /nfs/dbraw/zinc/41/34/09/1067413409.db2.gz LMVRJLSOOICGML-SFHVURJKSA-N 0 0 483.642 3.269 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)c3nccs3)n2CC2(O)CCOCC2)cc1C ZINC001304374489 1067413422 /nfs/dbraw/zinc/41/34/22/1067413422.db2.gz LQVMWWXUNIRJIB-GOSISDBHSA-N 0 0 484.626 3.385 20 0 JGADRN CC(C)CC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001302824963 1067414274 /nfs/dbraw/zinc/41/42/74/1067414274.db2.gz XZNDHZYPDOFYEE-QGZVFWFLSA-N 0 0 456.557 3.413 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)OC3CCCC3)n2CC2(S(C)(=O)=O)CCC2)cc1C ZINC001304374940 1067414286 /nfs/dbraw/zinc/41/42/86/1067414286.db2.gz HXYSBZMPRSSYET-UHFFFAOYSA-N 0 0 475.615 3.425 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(CC3CC3)C3CCCCC3)n2CCNS(C)(=O)=O)cc1C ZINC001304374921 1067414358 /nfs/dbraw/zinc/41/43/58/1067414358.db2.gz HNIBSGUEBQUQPL-UHFFFAOYSA-N 0 0 488.658 3.246 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCC3CC3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001304375135 1067414748 /nfs/dbraw/zinc/41/47/48/1067414748.db2.gz KNJCIQMUVRKWGH-UHFFFAOYSA-N 0 0 452.481 3.062 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CC3(CS(C)(=O)=O)CC3)CC2)cc1 ZINC001304375086 1067414759 /nfs/dbraw/zinc/41/47/59/1067414759.db2.gz VLUFHNVKSLHHNK-UHFFFAOYSA-N 0 0 459.660 3.327 20 0 JGADRN CSCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001302825484 1067415238 /nfs/dbraw/zinc/41/52/38/1067415238.db2.gz ORMHKVFBDHUPOM-AWEZNQCLSA-N 0 0 476.594 3.096 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CC(=O)NCc3ccco3)CC2)cc1 ZINC001304375425 1067415240 /nfs/dbraw/zinc/41/52/40/1067415240.db2.gz ZATBVTCVOAVGID-UHFFFAOYSA-N 0 0 450.587 3.411 20 0 JGADRN CSCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001302825866 1067415715 /nfs/dbraw/zinc/41/57/15/1067415715.db2.gz SVROIXCUVCYQEJ-UHFFFAOYSA-N 0 0 487.670 3.302 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCC(F)F)n2Cc2ccc(C)n(C)c2=O)cc1C ZINC001304375714 1067416126 /nfs/dbraw/zinc/41/61/26/1067416126.db2.gz PJYRGEJRESTNFP-UHFFFAOYSA-N 0 0 458.513 3.294 20 0 JGADRN CSCCCn1c(N2CCO[C@H](c3nccs3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001302826506 1067416208 /nfs/dbraw/zinc/41/62/08/1067416208.db2.gz JUUDVIXSOFRNLW-OXJNMPFZSA-N 0 0 453.634 3.106 20 0 JGADRN Cc1c(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ncnn2C(C)(C)C)cnn1C ZINC001304375780 1067416186 /nfs/dbraw/zinc/41/61/86/1067416186.db2.gz VXMOSFLPVDDZOG-UHFFFAOYSA-N 0 0 490.616 3.220 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)c3nccs3)n2Cc2nncn2C)cc1C ZINC001304375994 1067416709 /nfs/dbraw/zinc/41/67/09/1067416709.db2.gz ZLVHEEATYRMHGD-MRXNPFEDSA-N 0 0 465.587 3.020 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2NC(=O)CC2(C)C)cc1C ZINC001304376072 1067417096 /nfs/dbraw/zinc/41/70/96/1067417096.db2.gz SKTSLYCOIDVODK-INIZCTEOSA-N 0 0 466.508 3.451 20 0 JGADRN C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 ZINC001302827146 1067417174 /nfs/dbraw/zinc/41/71/74/1067417174.db2.gz PBQXJTSTCHZMBV-SFHVURJKSA-N 0 0 478.688 3.124 20 0 JGADRN CSCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001302827740 1067417600 /nfs/dbraw/zinc/41/76/00/1067417600.db2.gz VBNJSKHQHDEIBV-KSFYIVLOSA-N 0 0 480.635 3.134 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCCc1cnn(C)c1 ZINC001302827536 1067417700 /nfs/dbraw/zinc/41/77/00/1067417700.db2.gz BCKBDLVQFCKMHI-SFHVURJKSA-N 0 0 458.632 3.444 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC(C)(C)O)cc1C ZINC001304376403 1067417733 /nfs/dbraw/zinc/41/77/33/1067417733.db2.gz YMAKOPILNNDFPB-UHFFFAOYSA-N 0 0 459.982 3.332 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCCc3ccccn3)n2C[C@]2(C)COCCO2)cc1C ZINC001304376489 1067418077 /nfs/dbraw/zinc/41/80/77/1067418077.db2.gz YURBYUYDQFWOLY-AREMUKBSSA-N 0 0 478.597 3.417 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001302827864 1067418102 /nfs/dbraw/zinc/41/81/02/1067418102.db2.gz DNVYVSLCTYMMAV-ZCNNSNEGSA-N 0 0 461.676 3.181 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001302827862 1067418132 /nfs/dbraw/zinc/41/81/32/1067418132.db2.gz DNVYVSLCTYMMAV-VAMGGRTRSA-N 0 0 461.676 3.181 20 0 JGADRN CC(C)CC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001302828878 1067418619 /nfs/dbraw/zinc/41/86/19/1067418619.db2.gz IIGYTQHITQIFMR-FGTMMUONSA-N 0 0 460.623 3.405 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCOC3)n2CCOc2ccc(Cl)cn2)cc1C ZINC001304376632 1067418596 /nfs/dbraw/zinc/41/85/96/1067418596.db2.gz BMBRDYAGRTVKAD-IBGZPJMESA-N 0 0 470.961 3.500 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1CC12CCOCC2 ZINC001302829796 1067418844 /nfs/dbraw/zinc/41/88/44/1067418844.db2.gz QEEISPDEKRCUPY-PKOBYXMFSA-N 0 0 461.632 3.138 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H]1CC12CCOCC2 ZINC001302829789 1067418984 /nfs/dbraw/zinc/41/89/84/1067418984.db2.gz QEEISPDEKRCUPY-HKUYNNGSSA-N 0 0 461.632 3.138 20 0 JGADRN C[C@@H](C1CCCCC1)N(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001302829980 1067419416 /nfs/dbraw/zinc/41/94/16/1067419416.db2.gz KIIRQWCGGKKDOK-PXNSSMCTSA-N 0 0 480.635 3.032 20 0 JGADRN CC(C)CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001302830248 1067419453 /nfs/dbraw/zinc/41/94/53/1067419453.db2.gz OWSLLDPZIKSOLG-ZACQAIPSSA-N 0 0 493.596 3.072 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001302830481 1067419865 /nfs/dbraw/zinc/41/98/65/1067419865.db2.gz UVHAPDHFBJKTNY-UWVAXJGDSA-N 0 0 453.628 3.176 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001302830472 1067419882 /nfs/dbraw/zinc/41/98/82/1067419882.db2.gz URPVETHZXJCJPH-KRWDZBQOSA-N 0 0 484.688 3.291 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001302830473 1067419888 /nfs/dbraw/zinc/41/98/88/1067419888.db2.gz URPVETHZXJCJPH-QGZVFWFLSA-N 0 0 484.688 3.291 20 0 JGADRN CC(C)Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001302830479 1067419916 /nfs/dbraw/zinc/41/99/16/1067419916.db2.gz UVHAPDHFBJKTNY-HLIPFELVSA-N 0 0 453.628 3.176 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C(=O)N4CCCCC4)CC3)n2CC(C)(C)O)cc1C ZINC001304377344 1067419904 /nfs/dbraw/zinc/41/99/04/1067419904.db2.gz GQMYTEQCKVMUMY-UHFFFAOYSA-N 0 0 482.629 3.147 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCSCC(F)(F)F)cc1C ZINC001304377647 1067420290 /nfs/dbraw/zinc/42/02/90/1067420290.db2.gz IDEGZRRGTAXJHW-HNNXBMFYSA-N 0 0 484.548 3.110 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCOCCS(C)(=O)=O)cc1C ZINC001304377466 1067420333 /nfs/dbraw/zinc/42/03/33/1067420333.db2.gz JEIBKKPAYZLWNY-LJQANCHMSA-N 0 0 491.658 3.081 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2CCSC(C)C)cc1C ZINC001304377744 1067420789 /nfs/dbraw/zinc/42/07/89/1067420789.db2.gz MAHVJZUZQRFMMK-UHFFFAOYSA-N 0 0 458.632 3.381 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccncc2Cl)cc1C ZINC001304377895 1067421309 /nfs/dbraw/zinc/42/13/09/1067421309.db2.gz IUCUKAPMTKINMD-UHFFFAOYSA-N 0 0 469.977 3.205 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C2CC2)cc1C ZINC001304378066 1067421376 /nfs/dbraw/zinc/42/13/76/1067421376.db2.gz KVYFIVAFMADPKH-UHFFFAOYSA-N 0 0 464.492 3.377 20 0 JGADRN Cc1ccc(N2CCN(c3nnc(CN4CCCC4=O)n3CCCC(F)(F)F)CC2)cc1 ZINC001304377918 1067421413 /nfs/dbraw/zinc/42/14/13/1067421413.db2.gz JRKSKMKYNLTLOJ-UHFFFAOYSA-N 0 0 450.509 3.378 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001304378092 1067421735 /nfs/dbraw/zinc/42/17/35/1067421735.db2.gz ONOSAIRJLHTYHJ-WHGDAVGDSA-N 0 0 497.669 3.422 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCC(=O)N(C)C)cc1C ZINC001304378166 1067421795 /nfs/dbraw/zinc/42/17/95/1067421795.db2.gz LSNSRADKPNDROK-SFHVURJKSA-N 0 0 456.591 3.019 20 0 JGADRN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(c3ccc(Cl)cn3)CC2)c1 ZINC001302834275 1067421829 /nfs/dbraw/zinc/42/18/29/1067421829.db2.gz JJPUZDCFIBHWPO-UHFFFAOYSA-N 0 0 458.765 3.165 20 0 JGADRN C[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCN(C)C(=O)OC(C)(C)C)C[C@@H]1O ZINC001302835188 1067422466 /nfs/dbraw/zinc/42/24/66/1067422466.db2.gz RUAFKFIUYQPTLJ-UTKZUKDTSA-N 0 0 481.601 3.409 20 0 JGADRN C[C@@H](C1CCCCC1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCOCC1 ZINC001302835602 1067422909 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1068104433 /nfs/dbraw/zinc/10/44/33/1068104433.db2.gz DZVIYRBJGLKBRS-UHFFFAOYSA-N 0 0 452.106 3.175 20 0 JGADRN CC(C)SCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 ZINC001303579591 1068104458 /nfs/dbraw/zinc/10/44/58/1068104458.db2.gz ZPDWXWLNMYUXAH-ZWKOTPCHSA-N 0 0 469.652 3.201 20 0 JGADRN CC(C)SCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001303581813 1068105222 /nfs/dbraw/zinc/10/52/22/1068105222.db2.gz UOCJOIOGLKUERJ-LJQANCHMSA-N 0 0 476.647 3.135 20 0 JGADRN CC(C)SCCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001303581698 1068105316 /nfs/dbraw/zinc/10/53/16/1068105316.db2.gz QIXDXCSGOBNHAX-KRWDZBQOSA-N 0 0 474.656 3.250 20 0 JGADRN CC(C)SCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001303583269 1068106877 /nfs/dbraw/zinc/10/68/77/1068106877.db2.gz QBPUSYAYTHTELG-UHFFFAOYSA-N 0 0 476.691 3.161 20 0 JGADRN CC(C)SCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303583251 1068106903 /nfs/dbraw/zinc/10/69/03/1068106903.db2.gz PTUBLURBWXIXIR-SFHVURJKSA-N 0 0 480.679 3.378 20 0 JGADRN CC(C)SCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001303583131 1068106908 /nfs/dbraw/zinc/10/69/08/1068106908.db2.gz NVKOMHYRRKQNEX-UHFFFAOYSA-N 0 0 488.079 3.124 20 0 JGADRN CC(C)[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001303584253 1068107285 /nfs/dbraw/zinc/10/72/85/1068107285.db2.gz ATOYEEVLYSIHSH-QTLCSOKXSA-N 0 0 483.585 3.304 20 0 JGADRN C[C@@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CCS(C)(=O)=O)CC1 ZINC001305048406 1068108000 /nfs/dbraw/zinc/10/80/00/1068108000.db2.gz VWHRZLNZXHYGAG-OAHLLOKOSA-N 0 0 471.421 3.291 20 0 JGADRN C[C@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CCS(C)(=O)=O)CC1 ZINC001305048403 1068108005 /nfs/dbraw/zinc/10/80/05/1068108005.db2.gz VWHRZLNZXHYGAG-HNNXBMFYSA-N 0 0 471.421 3.291 20 0 JGADRN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1CCN1CCOC(C)(C)C1 ZINC001303586577 1068108066 /nfs/dbraw/zinc/10/80/66/1068108066.db2.gz CUVMGDLFMFYKDY-INIZCTEOSA-N 0 0 459.545 3.265 20 0 JGADRN CC(C)[C@@H]1C[C@H]1n1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303585313 1068108085 /nfs/dbraw/zinc/10/80/85/1068108085.db2.gz XGDXECLJKOSIHC-ZSYWTGECSA-N 0 0 460.623 3.311 20 0 JGADRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F ZINC001303586969 1068108562 /nfs/dbraw/zinc/10/85/62/1068108562.db2.gz JNFVNTMTHHKPBQ-GFCCVEGCSA-N 0 0 497.428 3.080 20 0 JGADRN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCCC1 ZINC001303587098 1068108601 /nfs/dbraw/zinc/10/86/01/1068108601.db2.gz LYXAUWBPTSHYHA-HNNXBMFYSA-N 0 0 460.529 3.035 20 0 JGADRN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 ZINC001303588308 1068109026 /nfs/dbraw/zinc/10/90/26/1068109026.db2.gz ZWTKBDQKOQGORO-NSHDSACASA-N 0 0 492.332 3.094 20 0 JGADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001303590544 1068111096 /nfs/dbraw/zinc/11/10/96/1068111096.db2.gz BYLJDSNFGSZRIS-HNAYVOBHSA-N 0 0 479.482 3.335 20 0 JGADRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cncn1 ZINC001303590932 1068111141 /nfs/dbraw/zinc/11/11/41/1068111141.db2.gz WQPDRZRJWGFXGP-CQSZACIVSA-N 0 0 472.525 3.037 20 0 JGADRN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 ZINC001303590258 1068111185 /nfs/dbraw/zinc/11/11/85/1068111185.db2.gz PNDRSPHNBGJSLG-DOTOQJQBSA-N 0 0 468.570 3.473 20 0 JGADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 ZINC001303591098 1068111633 /nfs/dbraw/zinc/11/16/33/1068111633.db2.gz IOQOJXUSYWANJQ-MJGOQNOKSA-N 0 0 491.633 3.308 20 0 JGADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001303591571 1068112199 /nfs/dbraw/zinc/11/21/99/1068112199.db2.gz BFSFMVRUAYQODD-VYDXJSESSA-N 0 0 454.543 3.082 20 0 JGADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)O ZINC001303592283 1068112877 /nfs/dbraw/zinc/11/28/77/1068112877.db2.gz UQDIMBZMSXZLJR-HNNXBMFYSA-N 0 0 460.579 3.346 20 0 JGADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(C)(=O)=O ZINC001303594345 1068114115 /nfs/dbraw/zinc/11/41/15/1068114115.db2.gz NOKDIJFNMVXQMO-ZSZQSSIHSA-N 0 0 485.601 3.222 20 0 JGADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 ZINC001303594391 1068115017 /nfs/dbraw/zinc/11/50/17/1068115017.db2.gz OGEATZRQBHSWSX-KXBFYZLASA-N 0 0 483.585 3.277 20 0 JGADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCSC1 ZINC001303594996 1068115376 /nfs/dbraw/zinc/11/53/76/1068115376.db2.gz ALCQPUPEQXFRDG-OPAMFIHVSA-N 0 0 466.673 3.336 20 0 JGADRN C[C@@H]1CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCN(C)C(=O)OC(C)(C)C ZINC001305052365 1068116298 /nfs/dbraw/zinc/11/62/98/1068116298.db2.gz JSYRNWWNOYDWJK-MRXNPFEDSA-N 0 0 467.574 3.048 20 0 JGADRN C[C@@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1CC1(S(C)(=O)=O)CC1 ZINC001305053583 1068117655 /nfs/dbraw/zinc/11/76/55/1068117655.db2.gz LCPPUIAJOGETKD-GFCCVEGCSA-N 0 0 457.369 3.413 20 0 JGADRN C[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001305054664 1068118190 /nfs/dbraw/zinc/11/81/90/1068118190.db2.gz RIVWIOFAMPENNR-CHWSQXEVSA-N 0 0 474.450 3.039 20 0 JGADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCSC1 ZINC001303595949 1068118971 /nfs/dbraw/zinc/11/89/71/1068118971.db2.gz KAYIXTKJFKRFRB-IAGOWNOFSA-N 0 0 474.656 3.423 20 0 JGADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CC1([S@@](C)=O)CCC1 ZINC001303596218 1068119383 /nfs/dbraw/zinc/11/93/83/1068119383.db2.gz MWQKWPUNZZZCIF-HYJWCJBQSA-N 0 0 487.651 3.242 20 0 JGADRN C[C@H](c1ccc(F)cc1F)N1CCN(c2nnc(C3CCC3)n2CCCS(C)(=O)=O)CC1 ZINC001303596137 1068119401 /nfs/dbraw/zinc/11/94/01/1068119401.db2.gz LMXKEPPXDGZNIU-MRXNPFEDSA-N 0 0 467.586 3.142 20 0 JGADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)C1CC1 ZINC001303597616 1068121670 /nfs/dbraw/zinc/12/16/70/1068121670.db2.gz WUIPLOIKCLFYAX-WFHOYZRISA-N 0 0 482.610 3.021 20 0 JGADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC1([S@@](C)=O)CC1 ZINC001303597599 1068121702 /nfs/dbraw/zinc/12/17/02/1068121702.db2.gz WRHPCKOCXAHAOK-MHTXLSKPSA-N 0 0 452.646 3.088 20 0 JGADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CCC(=O)N(C)C ZINC001303597791 1068122354 /nfs/dbraw/zinc/12/23/54/1068122354.db2.gz XZXNPSOVHLPDKH-MRXNPFEDSA-N 0 0 475.640 3.010 20 0 JGADRN Cc1cc(=O)[nH]c(N2CCC[C@@H](NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)C2)n1 ZINC001303597770 1068122431 /nfs/dbraw/zinc/12/24/31/1068122431.db2.gz MDMYEZILLYBZST-MRXNPFEDSA-N 0 0 459.978 3.205 20 0 JGADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC[C@@H](F)C1 ZINC001303597814 1068122769 /nfs/dbraw/zinc/12/27/69/1068122769.db2.gz YCTQZUPWRUQYTB-JTDSTZFVSA-N 0 0 460.579 3.418 20 0 JGADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCOC1 ZINC001303597928 1068122809 /nfs/dbraw/zinc/12/28/09/1068122809.db2.gz ZLEQTJQKDFXORH-RBUKOAKNSA-N 0 0 469.611 3.291 20 0 JGADRN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001303599143 1068125388 /nfs/dbraw/zinc/12/53/88/1068125388.db2.gz AVAQXSBRSIPWPB-LMNJBCLMSA-N 0 0 475.659 3.407 20 0 JGADRN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1CC1CC(F)(F)C1 ZINC001303599682 1068126701 /nfs/dbraw/zinc/12/67/01/1068126701.db2.gz DBSYHLBYVXDSIG-ZDUSSCGKSA-N 0 0 450.515 3.163 20 0 JGADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1C(C)(C)C ZINC001305061656 1068127178 /nfs/dbraw/zinc/12/71/78/1068127178.db2.gz AAMQEBLTMCJMAH-FGTMMUONSA-N 0 0 462.639 3.313 20 0 JGADRN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 ZINC001303599922 1068127272 /nfs/dbraw/zinc/12/72/72/1068127272.db2.gz DOWWFBGMFNOHNH-HOCLYGCPSA-N 0 0 471.574 3.136 20 0 JGADRN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(Cl)nc1 ZINC001303600407 1068128419 /nfs/dbraw/zinc/12/84/19/1068128419.db2.gz HTNKJKXFHGCEKV-OAHLLOKOSA-N 0 0 483.985 3.282 20 0 JGADRN 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Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2Cc2ccc(F)cn2)cc1C ZINC001492274049 1065367944 /nfs/dbraw/zinc/36/79/44/1065367944.db2.gz SOGWRJWLGPACQJ-GOSISDBHSA-N 0 0 478.450 3.497 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCSC4(CCOCC4)C3)n2CCC(C)(C)O)cc1C ZINC001492274634 1065369126 /nfs/dbraw/zinc/36/91/26/1065369126.db2.gz DKVZSXZCHKKFGC-UHFFFAOYSA-N 0 0 473.643 3.411 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@](C)(O)c2cccs2)cc1C ZINC001492276342 1065370439 /nfs/dbraw/zinc/37/04/39/1065370439.db2.gz OHJACGAXMGQHDO-MTJJIEKYSA-N 0 0 469.611 3.324 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC2)cc1C ZINC001492276133 1065370503 /nfs/dbraw/zinc/37/05/03/1065370503.db2.gz NJLUKACDQNFVFV-ICSRJNTNSA-N 0 0 484.601 3.287 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCCCOC(C)C)cc1C ZINC001492276065 1065370601 /nfs/dbraw/zinc/37/06/01/1065370601.db2.gz MSGXVWNJKNEWDR-IRLDBZIGSA-N 0 0 482.629 3.315 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CCSC(C)(C)C3)n2CC2([S@@](C)=O)CC2)cc1C ZINC001492276806 1065372023 /nfs/dbraw/zinc/37/20/23/1065372023.db2.gz SRKQQQMJQSBGKZ-WJOKGBTCSA-N 0 0 461.657 3.390 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(C)nnc2N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c(C)o1 ZINC001492281052 1065373832 /nfs/dbraw/zinc/37/38/32/1065373832.db2.gz NKRZNDUPOATGOS-XMMPIXPASA-N 0 0 452.559 3.263 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3nccs3)C2)cc1 ZINC001492289208 1065375687 /nfs/dbraw/zinc/37/56/87/1065375687.db2.gz WYIDUWGZZLQWDI-MJGOQNOKSA-N 0 0 470.599 3.227 20 0 JGADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CCCO[C@@H]2CCOC2)o1 ZINC001492283331 1065376461 /nfs/dbraw/zinc/37/64/61/1065376461.db2.gz FSWOXVAZDRYGTH-HXUWFJFHSA-N 0 0 453.543 3.425 20 0 JGADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CCCO[C@H]2CCOC2)o1 ZINC001492283324 1065376520 /nfs/dbraw/zinc/37/65/20/1065376520.db2.gz FSWOXVAZDRYGTH-FQEVSTJZSA-N 0 0 453.543 3.425 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nccs2)cc1 ZINC001492284222 1065376964 /nfs/dbraw/zinc/37/69/64/1065376964.db2.gz RGLABRNJWXWEBV-QHCPKHFHSA-N 0 0 470.599 3.207 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001492284417 1065377835 /nfs/dbraw/zinc/37/78/35/1065377835.db2.gz UKLAGNJQXUXMSA-SFHVURJKSA-N 0 0 468.524 3.048 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC2(C)C)cc1 ZINC001492284505 1065377878 /nfs/dbraw/zinc/37/78/78/1065377878.db2.gz XPWIPDKMUXIIAW-QZTJIDSGSA-N 0 0 476.647 3.098 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001492286308 1065378566 /nfs/dbraw/zinc/37/85/66/1065378566.db2.gz BMTXWDQVCWGJJN-NRFANRHFSA-N 0 0 451.575 3.302 20 0 JGADRN Cc1c(Cn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)cnn1CC(C)C ZINC001492286582 1065378591 /nfs/dbraw/zinc/37/85/91/1065378591.db2.gz FOAYTHAXZMINSQ-UHFFFAOYSA-N 0 0 475.601 3.271 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001492287051 1065379149 /nfs/dbraw/zinc/37/91/49/1065379149.db2.gz ACQGLXVQUGYBIN-RBUKOAKNSA-N 0 0 496.637 3.468 20 0 JGADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@@]3(C)CN(C)C3=O)C2)cc1 ZINC001492287084 1065379950 /nfs/dbraw/zinc/37/99/50/1065379950.db2.gz AORVZXVPACOGKE-FQRUVTKNSA-N 0 0 481.645 3.301 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001492287438 1065380481 /nfs/dbraw/zinc/38/04/81/1065380481.db2.gz FIKVPRHHNKZBJD-MGBGTMOVSA-N 0 0 468.627 3.194 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCCNC(=O)OC(C)(C)C)cc1 ZINC001492287770 1065380944 /nfs/dbraw/zinc/38/09/44/1065380944.db2.gz TUIZAUHQOIVXOP-LJQANCHMSA-N 0 0 486.617 3.470 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001492287653 1065380991 /nfs/dbraw/zinc/38/09/91/1065380991.db2.gz GKWBEGIDQDYXBO-LJQANCHMSA-N 0 0 472.590 3.428 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@@H]2CCCS2)n1 ZINC001492288804 1065383287 /nfs/dbraw/zinc/38/32/87/1065383287.db2.gz PPGXGODIAIHLEY-FQEVSTJZSA-N 0 0 453.616 3.419 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCn2cccn2)cc1C ZINC001492238732 1065384026 /nfs/dbraw/zinc/38/40/26/1065384026.db2.gz WBYPIBRGYRAENM-UHFFFAOYSA-N 0 0 481.992 3.457 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001492302014 1065385296 /nfs/dbraw/zinc/38/52/96/1065385296.db2.gz CYOXBWRPJRCVOQ-QGZVFWFLSA-N 0 0 481.519 3.070 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC001492302233 1065385353 /nfs/dbraw/zinc/38/53/53/1065385353.db2.gz GUHJBRDJMUIWSW-RTWAWAEBSA-N 0 0 468.646 3.042 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(N(C)Cc3cnn(C)c3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001492302114 1065385368 /nfs/dbraw/zinc/38/53/68/1065385368.db2.gz FOGTTWICCUQXRM-CPJSRVTESA-N 0 0 468.602 3.465 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 ZINC001492302231 1065385395 /nfs/dbraw/zinc/38/53/95/1065385395.db2.gz GUHJBRDJMUIWSW-LEWJYISDSA-N 0 0 468.646 3.042 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(N(C)Cc3cnn(C)c3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001492302113 1065385491 /nfs/dbraw/zinc/38/54/91/1065385491.db2.gz FOGTTWICCUQXRM-CJFMBICVSA-N 0 0 468.602 3.465 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(C(N)=O)CC3)n2Cc2cc(C)ccc2OC(F)F)cs1 ZINC001492302497 1065386100 /nfs/dbraw/zinc/38/61/00/1065386100.db2.gz JIAVWNIBGZUVIX-UHFFFAOYSA-N 0 0 476.553 3.294 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)(F)F)CC2)c1 ZINC001492302796 1065386779 /nfs/dbraw/zinc/38/67/79/1065386779.db2.gz NFLPCRKDROIZPI-UHFFFAOYSA-N 0 0 485.461 3.321 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCN(CC(F)F)CC2)cc1 ZINC001492305952 1065388087 /nfs/dbraw/zinc/38/80/87/1065388087.db2.gz OTAZLWNRIHPHFN-IBGZPJMESA-N 0 0 456.541 3.427 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCS(C)(=O)=O)c1 ZINC001492307784 1065388837 /nfs/dbraw/zinc/38/88/37/1065388837.db2.gz VVWBGTVTOJYOSW-UHFFFAOYSA-N 0 0 485.944 3.432 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@@H](C)C2)c1 ZINC001492308172 1065389365 /nfs/dbraw/zinc/38/93/65/1065389365.db2.gz YROQNBZWVCSZOH-ZNMIVQPWSA-N 0 0 489.614 3.177 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CCc2nccc(C(F)(F)F)n2)cc1C ZINC001492311455 1065390482 /nfs/dbraw/zinc/39/04/82/1065390482.db2.gz LZCFUTRMFPWMLI-MRXNPFEDSA-N 0 0 491.518 3.226 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CC3(C)C)CC2)cc1 ZINC001492312049 1065391311 /nfs/dbraw/zinc/39/13/11/1065391311.db2.gz PLAKLXJPPSJCHK-QZTJIDSGSA-N 0 0 461.632 3.291 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)c3ccco3)n2CC2(O)CCS(=O)(=O)CC2)cc1C ZINC001492313616 1065391905 /nfs/dbraw/zinc/39/19/05/1065391905.db2.gz WNFRSZOLOSMVED-LJQANCHMSA-N 0 0 488.610 3.204 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C(C)(C)C)no2)cc1C ZINC001492318863 1065394062 /nfs/dbraw/zinc/39/40/62/1065394062.db2.gz ZOXSMQVZFLDSHA-GOSISDBHSA-N 0 0 487.626 3.431 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2CC(C)(C)c2ccccn2)cc1 ZINC001492320370 1065394789 /nfs/dbraw/zinc/39/47/89/1065394789.db2.gz JAQRAFLHHXEZAF-UHFFFAOYSA-N 0 0 450.587 3.499 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H]2CC[C@H](CO)O2)cc1 ZINC001492323121 1065396040 /nfs/dbraw/zinc/39/60/40/1065396040.db2.gz HBKISYBINFPZRJ-LEWJYISDSA-N 0 0 457.962 3.390 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cccs3)n2CCC[C@@H]2NC(=O)NC2=O)cc1C ZINC001492323046 1065396061 /nfs/dbraw/zinc/39/60/61/1065396061.db2.gz DPACVNXQDAEXQG-IBGZPJMESA-N 0 0 468.583 3.160 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC001492323475 1065396864 /nfs/dbraw/zinc/39/68/64/1065396864.db2.gz QMQBQZAZGNGTHR-GOSISDBHSA-N 0 0 477.535 3.420 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC001492323476 1065396980 /nfs/dbraw/zinc/39/69/80/1065396980.db2.gz QMQBQZAZGNGTHR-SFHVURJKSA-N 0 0 477.535 3.420 20 0 JGADRN Cc1c(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)Cc2ncnn2CC(F)F)cnn1C ZINC001492325534 1065397569 /nfs/dbraw/zinc/39/75/69/1065397569.db2.gz OGKHIXNMOPETAG-UHFFFAOYSA-N 0 0 485.543 3.057 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492330830 1065401025 /nfs/dbraw/zinc/40/10/25/1065401025.db2.gz OWNXGYPRJQYYMA-FQEVSTJZSA-N 0 0 461.632 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001492330418 1065401043 /nfs/dbraw/zinc/40/10/43/1065401043.db2.gz MBYNNFRSHHETNH-OAQYLSRUSA-N 0 0 497.562 3.291 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@]2(O)CCC[C@@H]2C)cc1 ZINC001492331052 1065401461 /nfs/dbraw/zinc/40/14/61/1065401461.db2.gz VTEPSBQUJWCYTL-LVXARBLLSA-N 0 0 471.646 3.264 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2CCNC(=O)c2cccs2)cc1C ZINC001492331099 1065401674 /nfs/dbraw/zinc/40/16/74/1065401674.db2.gz QRFSYMHGUIHZHI-LJQANCHMSA-N 0 0 469.611 3.438 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)NC2CCCCC2)cc1 ZINC001492331278 1065401690 /nfs/dbraw/zinc/40/16/90/1065401690.db2.gz WBQOPSLFCVLPSP-SZPZYZBQSA-N 0 0 498.672 3.160 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001492340748 1065402730 /nfs/dbraw/zinc/40/27/30/1065402730.db2.gz VBKUAVZXZLCHAJ-OALUTQOASA-N 0 0 486.617 3.088 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@](C)(O)c2cccs2)cc1C ZINC001492336506 1065403551 /nfs/dbraw/zinc/40/35/51/1065403551.db2.gz GICPGZBGMQSJKQ-HOYKHHGWSA-N 0 0 469.611 3.110 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2C[C@](C)(O)C(C)C)cc1C ZINC001492338455 1065405972 /nfs/dbraw/zinc/40/59/72/1065405972.db2.gz KOTVASGDRABJRF-OTPAQWSUSA-N 0 0 455.603 3.128 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492338458 1065406066 /nfs/dbraw/zinc/40/60/66/1065406066.db2.gz KOTVASGDRABJRF-TYBLODHISA-N 0 0 455.603 3.128 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)cc1 ZINC001492339751 1065407653 /nfs/dbraw/zinc/40/76/53/1065407653.db2.gz VLMHXDKZRDCDEU-GJZUVCINSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@H]2CCO[C@H](C)C2)cc1C ZINC001492339792 1065407682 /nfs/dbraw/zinc/40/76/82/1065407682.db2.gz VWEVDUJUQZWCCM-UXHICEINSA-N 0 0 476.643 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCCNC(=O)OC(C)(C)C)cc1 ZINC001492340187 1065408331 /nfs/dbraw/zinc/40/83/31/1065408331.db2.gz QWNDZNYQVVCQLV-LJQANCHMSA-N 0 0 486.617 3.137 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492294223 1065408869 /nfs/dbraw/zinc/40/88/69/1065408869.db2.gz HXGVYDFRUVZQTN-DYXWJJEUSA-N 0 0 498.628 3.499 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(OCC(N)=O)CC2)cc1 ZINC001492293538 1065409012 /nfs/dbraw/zinc/40/90/12/1065409012.db2.gz BLEITBATSBYSIF-KRWDZBQOSA-N 0 0 484.988 3.240 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCOCC3)C2)cc1 ZINC001492294532 1065409847 /nfs/dbraw/zinc/40/98/47/1065409847.db2.gz IYKKRQSEXXHUNX-PMACEKPBSA-N 0 0 491.658 3.061 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC001492294991 1065410304 /nfs/dbraw/zinc/41/03/04/1065410304.db2.gz LKSQITCUPFUKBK-TZIWHRDSSA-N 0 0 465.602 3.196 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(F)(F)F)cc1 ZINC001492295615 1065410375 /nfs/dbraw/zinc/41/03/75/1065410375.db2.gz OVBLDJYSGWBGIX-HZPDHXFCSA-N 0 0 460.522 3.345 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)cc1 ZINC001492296140 1065411365 /nfs/dbraw/zinc/41/13/65/1065411365.db2.gz RXQVZYSPEOWNAJ-LJQANCHMSA-N 0 0 465.602 3.229 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 ZINC001492298032 1065412838 /nfs/dbraw/zinc/41/28/38/1065412838.db2.gz ZVNXQKWNTCBHGR-QWFCFKBJSA-N 0 0 450.605 3.165 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001545691877 1065412988 /nfs/dbraw/zinc/41/29/88/1065412988.db2.gz JZWPFMHHGZSGDG-IRXDYDNUSA-N 0 0 480.535 3.063 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492353224 1065414555 /nfs/dbraw/zinc/41/45/55/1065414555.db2.gz UQILQQWDGCTWNC-ICSRJNTNSA-N 0 0 463.648 3.284 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC2(O)CC2)cc1 ZINC001492353671 1065416320 /nfs/dbraw/zinc/41/63/20/1065416320.db2.gz IBUMBNFIJAZYJO-GOSISDBHSA-N 0 0 457.575 3.041 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2Cc2nccs2)cc1 ZINC001492353896 1065417092 /nfs/dbraw/zinc/41/70/92/1065417092.db2.gz PGAAREUDRZPQCW-UHFFFAOYSA-N 0 0 454.600 3.365 20 0 JGADRN Cc1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)no1 ZINC001492353917 1065417158 /nfs/dbraw/zinc/41/71/58/1065417158.db2.gz PZDBUNLMFLZYFZ-UHFFFAOYSA-N 0 0 452.559 3.205 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC(=O)NC2CCCCC2)cc1 ZINC001492358868 1065420658 /nfs/dbraw/zinc/42/06/58/1065420658.db2.gz FBUZTHKTVIQCHE-UHFFFAOYSA-N 0 0 496.656 3.355 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC2CC2)cc1C ZINC001492358846 1065420667 /nfs/dbraw/zinc/42/06/67/1065420667.db2.gz DRHIZVATYCPYSA-FQEVSTJZSA-N 0 0 498.628 3.104 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@H]2CCCOC2)cc1 ZINC001492391060 1065421490 /nfs/dbraw/zinc/42/14/90/1065421490.db2.gz KZOWMOKRFHWCDC-JOCHJYFZSA-N 0 0 457.619 3.139 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CC2CCCC2)cc1 ZINC001492360571 1065422465 /nfs/dbraw/zinc/42/24/65/1065422465.db2.gz XBTBEPMCQDLEJU-UHFFFAOYSA-N 0 0 461.632 3.216 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCSC(F)(F)F)cc1C ZINC001492363392 1065424133 /nfs/dbraw/zinc/42/41/33/1065424133.db2.gz JDQNXPSWMRAYPG-HXUWFJFHSA-N 0 0 469.533 3.443 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC4(COC(=O)N4)CC3)n2CCCOC(F)(F)F)cc1C ZINC001492362708 1065424185 /nfs/dbraw/zinc/42/41/85/1065424185.db2.gz FZYNBUXGQLCAEN-UHFFFAOYSA-N 0 0 483.491 3.479 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001492363601 1065424916 /nfs/dbraw/zinc/42/49/16/1065424916.db2.gz KMHNFZWELKDMMZ-FQEVSTJZSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001492363657 1065424934 /nfs/dbraw/zinc/42/49/34/1065424934.db2.gz LLJZFOIPFRVCJT-UHFFFAOYSA-N 0 0 497.562 3.170 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 ZINC001492363595 1065424967 /nfs/dbraw/zinc/42/49/67/1065424967.db2.gz KJSDNXBZHIEXHS-YADHBBJMSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(Oc4cc(C)ccn4)CC3)n2CC(=O)N(C)C)cc1 ZINC001492364260 1065426536 /nfs/dbraw/zinc/42/65/36/1065426536.db2.gz UVWZNEOHSZLVIC-UHFFFAOYSA-N 0 0 464.570 3.005 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@]2(O)CCCC2(C)C)cc1C ZINC001492364020 1065426575 /nfs/dbraw/zinc/42/65/75/1065426575.db2.gz RATDQOJTCQYKIN-RUZDIDTESA-N 0 0 490.670 3.429 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC(OCC(N)=O)CC2)s1 ZINC001492364276 1065426594 /nfs/dbraw/zinc/42/65/94/1065426594.db2.gz VQAIZQCUZKXLIO-KRWDZBQOSA-N 0 0 484.626 3.205 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CSCCS2)cc1C ZINC001492368238 1065428014 /nfs/dbraw/zinc/42/80/14/1065428014.db2.gz DURAUQVGWKUGDX-PKOBYXMFSA-N 0 0 461.657 3.024 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1C ZINC001492369376 1065429642 /nfs/dbraw/zinc/42/96/42/1065429642.db2.gz NVBIIPGKRZHSEL-NRFANRHFSA-N 0 0 490.670 3.286 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC001492369592 1065429649 /nfs/dbraw/zinc/42/96/49/1065429649.db2.gz PAQWJNAZVDRZLT-JAXLGGSGSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCO[C@H]2CCCC[C@@H]2C)cc1 ZINC001492369593 1065429675 /nfs/dbraw/zinc/42/96/75/1065429675.db2.gz PAQWJNAZVDRZLT-ONTIZHBOSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCNC(=O)C2CC2)cc1 ZINC001492370046 1065431181 /nfs/dbraw/zinc/43/11/81/1065431181.db2.gz RCMLNFYPFBKBNZ-KRWDZBQOSA-N 0 0 451.493 3.470 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001492370277 1065431930 /nfs/dbraw/zinc/43/19/30/1065431930.db2.gz HALIYFXMJDVNAX-NIYFSFCBSA-N 0 0 498.628 3.137 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCCN2CCOCC2)cc1 ZINC001492370332 1065432772 /nfs/dbraw/zinc/43/27/72/1065432772.db2.gz IDQXYHPVEBLCRW-NRFANRHFSA-N 0 0 497.562 3.436 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2CC2CCCC2)cc1 ZINC001492370756 1065433494 /nfs/dbraw/zinc/43/34/94/1065433494.db2.gz KZVBZEIPUDQQHR-FQEVSTJZSA-N 0 0 461.632 3.121 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC(=O)NCC(F)F)cc1 ZINC001492370862 1065433520 /nfs/dbraw/zinc/43/35/20/1065433520.db2.gz VKVTZSXPKFGWRW-AWEZNQCLSA-N 0 0 461.435 3.326 20 0 JGADRN Cc1csc([C@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CC(=O)N(C)C)C2)n1 ZINC001492370597 1065433589 /nfs/dbraw/zinc/43/35/89/1065433589.db2.gz KBIYHUOWHPUAQI-SFHVURJKSA-N 0 0 454.600 3.403 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCN2CCOC[C@H]2C)cc1 ZINC001492371364 1065435110 /nfs/dbraw/zinc/43/51/10/1065435110.db2.gz PQQCNTZCLGIKIK-YADHBBJMSA-N 0 0 498.672 3.017 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1C ZINC001492371168 1065435206 /nfs/dbraw/zinc/43/52/06/1065435206.db2.gz XNYPPSLSMGJHHL-RBUKOAKNSA-N 0 0 497.612 3.379 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCSCC(F)(F)F)cc1 ZINC001492371193 1065435273 /nfs/dbraw/zinc/43/52/73/1065435273.db2.gz XYFIUUWCQNBKRO-OAHLLOKOSA-N 0 0 457.522 3.163 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@H]2CCOC2)cc1C ZINC001492371742 1065435948 /nfs/dbraw/zinc/43/59/48/1065435948.db2.gz UASWALNVVMCRCB-FCHUYYIVSA-N 0 0 469.630 3.499 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@H]2CCCSC2)cc1C ZINC001492377186 1065440740 /nfs/dbraw/zinc/44/07/40/1065440740.db2.gz MBQXCXSHGCPLEA-HXUWFJFHSA-N 0 0 493.699 3.089 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001545691904 1065440752 /nfs/dbraw/zinc/44/07/52/1065440752.db2.gz KISXSGYFVYCOIT-LPHOPBHVSA-N 0 0 470.599 3.293 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H]3[C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492378167 1065440831 /nfs/dbraw/zinc/44/08/31/1065440831.db2.gz JTJGJTRQPAYGCY-RBUKOAKNSA-N 0 0 481.519 3.300 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@H]2CCC[C@H]2C)cc1C ZINC001492377478 1065441723 /nfs/dbraw/zinc/44/17/23/1065441723.db2.gz QNFDXUSEXZBKOO-IRLDBZIGSA-N 0 0 496.656 3.083 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1C ZINC001492379018 1065443797 /nfs/dbraw/zinc/44/37/97/1065443797.db2.gz OUXRZPKVIRDUHM-PMACEKPBSA-N 0 0 498.596 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1C ZINC001492382897 1065445384 /nfs/dbraw/zinc/44/53/84/1065445384.db2.gz FAHYWQJTPBJHCL-FGZHOGPDSA-N 0 0 469.630 3.330 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2Cc2ccco2)cc1 ZINC001492383114 1065446953 /nfs/dbraw/zinc/44/69/53/1065446953.db2.gz LGBTUIOJNCJKGP-UHFFFAOYSA-N 0 0 452.559 3.437 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@H]2COCCO2)cc1 ZINC001492383124 1065446984 /nfs/dbraw/zinc/44/69/84/1065446984.db2.gz LPDAFAOGZDLLSZ-CTNGQTDRSA-N 0 0 487.601 3.027 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCc2cccnc2)cc1 ZINC001492383715 1065448822 /nfs/dbraw/zinc/44/88/22/1065448822.db2.gz BDBQDJSJZSFHBD-OAQYLSRUSA-N 0 0 462.598 3.496 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](C)c2nccs2)cc1C ZINC001492383767 1065449470 /nfs/dbraw/zinc/44/94/70/1065449470.db2.gz XMOQWYVFQPOCSS-ZWKOTPCHSA-N 0 0 454.600 3.401 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492384295 1065450189 /nfs/dbraw/zinc/45/01/89/1065450189.db2.gz FUKNAECCJGXZEK-CJFMBICVSA-N 0 0 457.619 3.266 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)CC3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492384838 1065452018 /nfs/dbraw/zinc/45/20/18/1065452018.db2.gz LGGCUKQPHFWKKQ-UMSFTDKQSA-N 0 0 489.686 3.014 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4cccs4)CC3)n2CCCS(C)(=O)=O)cc1C ZINC001492385922 1065453795 /nfs/dbraw/zinc/45/37/95/1065453795.db2.gz VXPZKJMEOYESKU-UHFFFAOYSA-N 0 0 489.667 3.297 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1C ZINC001492385950 1065454729 /nfs/dbraw/zinc/45/47/29/1065454729.db2.gz WERBFCXAUWUDHO-QFIPXVFZSA-N 0 0 489.686 3.077 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(Cc4cscn4)CC3)n2CCC(=O)NC(C)C)cc1C ZINC001492390781 1065455473 /nfs/dbraw/zinc/45/54/73/1065455473.db2.gz AKXBOQPSGWCURH-UHFFFAOYSA-N 0 0 497.669 3.167 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001492390900 1065456341 /nfs/dbraw/zinc/45/63/41/1065456341.db2.gz FRDXCAOVECVNSW-PKTZIBPZSA-N 0 0 471.646 3.385 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@]4(CCOC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001492344177 1065458146 /nfs/dbraw/zinc/45/81/46/1065458146.db2.gz KHXLDOHSOKYUIS-DYESRHJHSA-N 0 0 470.492 3.476 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492343859 1065458161 /nfs/dbraw/zinc/45/81/61/1065458161.db2.gz HCTBCETWNGSLAU-KSNOWIBYSA-N 0 0 458.603 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@@H]4C3)n2CCCOCC(C)C)cc1C ZINC001492344471 1065458851 /nfs/dbraw/zinc/45/88/51/1065458851.db2.gz NILVHCWTXVYEPU-IFMALSPDSA-N 0 0 455.603 3.251 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCCn2cc(CO)nn2)cc1 ZINC001492344932 1065459540 /nfs/dbraw/zinc/45/95/40/1065459540.db2.gz RXNSLRBAYKGVEU-UHFFFAOYSA-N 0 0 477.491 3.038 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC2(CS(C)(=O)=O)CC2)cc1 ZINC001492344824 1065459553 /nfs/dbraw/zinc/45/95/53/1065459553.db2.gz RNVXDUNJDUORSA-ROUUACIJSA-N 0 0 464.657 3.321 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC2(CS(C)(=O)=O)CC2)cc1 ZINC001492344823 1065459632 /nfs/dbraw/zinc/45/96/32/1065459632.db2.gz RNVXDUNJDUORSA-QZTJIDSGSA-N 0 0 464.657 3.321 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@]4(CCCOC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492345399 1065460482 /nfs/dbraw/zinc/46/04/82/1065460482.db2.gz VODVQIOSTVILRB-IBVKSMDESA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492345397 1065460489 /nfs/dbraw/zinc/46/04/89/1065460489.db2.gz VODVQIOSTVILRB-FNZWTVRRSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC001492345271 1065460533 /nfs/dbraw/zinc/46/05/33/1065460533.db2.gz CDEIGYFNWIDLHO-IERDGZPVSA-N 0 0 454.493 3.484 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CCC(C)(C)O)cc1C ZINC001492346172 1065461067 /nfs/dbraw/zinc/46/10/67/1065461067.db2.gz ZITLCRUWNWMEGF-HXUWFJFHSA-N 0 0 458.603 3.409 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)n2CC(=O)N(C)C)cc1C ZINC001492347938 1065463493 /nfs/dbraw/zinc/46/34/93/1065463493.db2.gz YYYZCRJSPYYSLF-LJQANCHMSA-N 0 0 496.656 3.037 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@H]2CCOC2)cc1 ZINC001492347859 1065463616 /nfs/dbraw/zinc/46/36/16/1065463616.db2.gz XXRKNLMDZODRJU-QGZVFWFLSA-N 0 0 481.519 3.097 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCN2CCOC2=O)cc1C ZINC001492395419 1065466899 /nfs/dbraw/zinc/46/68/99/1065466899.db2.gz SEQRWHCVFJQAAG-GOSISDBHSA-N 0 0 483.491 3.084 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC2(S(C)(=O)=O)CCC2)cc1 ZINC001492395490 1065467770 /nfs/dbraw/zinc/46/77/70/1065467770.db2.gz TYVSQYIGIIEIBE-HXUWFJFHSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(COc4ccc(C)cc4)n3C[C@](C)(O)C(C)C)CCO2)n1 ZINC001492400251 1065469225 /nfs/dbraw/zinc/46/92/25/1065469225.db2.gz HCXREMYMZFQYFG-OZXSUGGESA-N 0 0 482.629 3.291 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](c4ccco4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492400349 1065469313 /nfs/dbraw/zinc/46/93/13/1065469313.db2.gz HWZLDPDTVSBBPB-OAQYLSRUSA-N 0 0 467.570 3.499 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@@H](C)[C@H]3C)n2CC2(S(C)(=O)=O)CC2)cc1C ZINC001492400962 1065469911 /nfs/dbraw/zinc/46/99/11/1065469911.db2.gz GVCCLWHZRFQFGO-MSOLQXFVSA-N 0 0 464.657 3.381 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2CC2(S(C)(=O)=O)CC2)cc1 ZINC001492401439 1065470989 /nfs/dbraw/zinc/47/09/89/1065470989.db2.gz MZRLVKQNCZHBEV-IBGZPJMESA-N 0 0 464.657 3.321 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCSC(F)(F)F)cc1 ZINC001492402574 1065472698 /nfs/dbraw/zinc/47/26/98/1065472698.db2.gz VNZAMCMTTTVYQV-IBGZPJMESA-N 0 0 458.506 3.414 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H](C)CN2CCOCC2)cc1C ZINC001492402339 1065472738 /nfs/dbraw/zinc/47/27/38/1065472738.db2.gz ROJMXJLXWNZVDS-GHTZIAJQSA-N 0 0 459.660 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC001492403040 1065473453 /nfs/dbraw/zinc/47/34/53/1065473453.db2.gz YNLUBPNHMXYSIC-KRWDZBQOSA-N 0 0 491.658 3.203 20 0 JGADRN Cc1ccc(OCc2nnc(Nc3ccn(C)n3)n2CCn2cc(Br)cn2)cc1 ZINC001492408477 1065474151 /nfs/dbraw/zinc/47/41/51/1065474151.db2.gz MJNQNSKTXOTQIF-UHFFFAOYSA-N 0 0 457.336 3.302 20 0 JGADRN Cc1ccc(OCCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCOCC3)cc1 ZINC001492408472 1065474247 /nfs/dbraw/zinc/47/42/47/1065474247.db2.gz MHSSJVRKCAZJLP-FQEVSTJZSA-N 0 0 491.658 3.063 20 0 JGADRN Cc1ccc(OCc2nnc(Nc3cnn(C)c3)n2C[C@@H](C(C)C)N2CCOCC2)cc1C ZINC001492407624 1065474261 /nfs/dbraw/zinc/47/42/61/1065474261.db2.gz IBJROUFZOPDMEG-QFIPXVFZSA-N 0 0 453.591 3.308 20 0 JGADRN 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ZINC001492432398 1065489569 /nfs/dbraw/zinc/48/95/69/1065489569.db2.gz ZWAALTNHLJOZKE-NRFANRHFSA-N 0 0 498.653 3.331 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccc(C)n3)n2CC[C@H]2CCCCO2)cc1 ZINC001492432399 1065489694 /nfs/dbraw/zinc/48/96/94/1065489694.db2.gz ZWAALTNHLJOZKE-OAQYLSRUSA-N 0 0 498.653 3.331 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(CC(C)C)nnc2N(C)Cc2scnc2C)s1 ZINC001492436150 1065490580 /nfs/dbraw/zinc/49/05/80/1065490580.db2.gz DWPQLBUPCAIYPF-UHFFFAOYSA-N 0 0 468.674 3.226 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)[C@H](C)C2)s1 ZINC001492435851 1065490647 /nfs/dbraw/zinc/49/06/47/1065490647.db2.gz BLJHUDZUANBMJO-ZIAGYGMSSA-N 0 0 480.685 3.074 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CC2)s1 ZINC001492436516 1065491023 /nfs/dbraw/zinc/49/10/23/1065491023.db2.gz JPMUZJVLZZTJTP-IEBWSBKVSA-N 0 0 481.688 3.391 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(N3C[C@@H](O)CC4(CCCC4)C3)nnc2C(C)(C)C)s1 ZINC001492437016 1065492207 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Cc1ccc(SCc2nnc(N(C)CC3CC(F)(F)C3)n2CCN2CCCS2(=O)=O)cc1 ZINC001492448898 1065501718 /nfs/dbraw/zinc/50/17/18/1065501718.db2.gz LRNFNYYMLPNXAF-UHFFFAOYSA-N 0 0 485.626 3.396 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC3CC(F)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492448776 1065501732 /nfs/dbraw/zinc/50/17/32/1065501732.db2.gz IAEQXBDJDVTIRL-VIQWUECVSA-N 0 0 481.663 3.345 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)Cc3ncc(Cl)n3C)n2Cc2cnnn2C)cc1 ZINC001492449446 1065502915 /nfs/dbraw/zinc/50/29/15/1065502915.db2.gz URRCDZVGJJXTHO-UHFFFAOYSA-N 0 0 457.995 3.079 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC(=O)N2CCCCCC2)cc1 ZINC001492452598 1065503515 /nfs/dbraw/zinc/50/35/15/1065503515.db2.gz IBLFIMCGQVRNBM-HXUWFJFHSA-N 0 0 484.670 3.338 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)cc1 ZINC001492453015 1065504035 /nfs/dbraw/zinc/50/40/35/1065504035.db2.gz MLAWZPDEPJPMCB-XLIONFOSSA-N 0 0 498.657 3.405 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)cc1 ZINC001492453836 1065504743 /nfs/dbraw/zinc/50/47/43/1065504743.db2.gz SCDIFGRHSCYGSK-IEBWSBKVSA-N 0 0 488.658 3.316 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCSCC(F)(F)F)cc1 ZINC001492456327 1065506143 /nfs/dbraw/zinc/50/61/43/1065506143.db2.gz KQRKIPFAFQDPKX-CQSZACIVSA-N 0 0 459.563 3.486 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCSCC(F)(F)F)cc1 ZINC001492456326 1065506326 /nfs/dbraw/zinc/50/63/26/1065506326.db2.gz KQRKIPFAFQDPKX-AWEZNQCLSA-N 0 0 459.563 3.486 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCOC2CCOCC2)cc1 ZINC001492460327 1065508535 /nfs/dbraw/zinc/50/85/35/1065508535.db2.gz UVUUAPCEAMGFOP-OAQYLSRUSA-N 0 0 494.683 3.088 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001492460209 1065508693 /nfs/dbraw/zinc/50/86/93/1065508693.db2.gz RFBYOZNSQSWMHA-WIYYLYMNSA-N 0 0 493.699 3.069 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(CO)CC3)n2CCCNC(=O)C2CCC2)cc1 ZINC001492460270 1065508795 /nfs/dbraw/zinc/50/87/95/1065508795.db2.gz SQRFRYJIFBQLEN-UHFFFAOYSA-N 0 0 457.644 3.394 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@H]2C[C@@H]2C)cc1 ZINC001492460449 1065509119 /nfs/dbraw/zinc/50/91/19/1065509119.db2.gz YJAYILPFTRXULR-ZWKOTPCHSA-N 0 0 463.673 3.395 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@]2(O)CCSC2)cc1 ZINC001492461447 1065509863 /nfs/dbraw/zinc/50/98/63/1065509863.db2.gz DKAWLBMHIZAZER-SIKLNZKXSA-N 0 0 496.724 3.150 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@]2(C)COCCO2)cc1 ZINC001492461657 1065509937 /nfs/dbraw/zinc/50/99/37/1065509937.db2.gz GPLJVVDPDXGHMB-RUZDIDTESA-N 0 0 487.670 3.379 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC2([S@](C)=O)CCC2)cc1 ZINC001492465688 1065512713 /nfs/dbraw/zinc/51/27/13/1065512713.db2.gz HJEBYAUCJQJQHY-XIFFEERXSA-N 0 0 489.711 3.485 20 0 JGADRN Cc1nc(C)c(CCn2c(CSc3ccc(C)cc3)nnc2N2CCN(C)C(=O)C2)s1 ZINC001492465881 1065513213 /nfs/dbraw/zinc/51/32/13/1065513213.db2.gz OLNBRMHLYNYRED-UHFFFAOYSA-N 0 0 456.641 3.473 20 0 JGADRN Cc1noc(C)c1Cn1c(CSc2ccc(C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001492466118 1065513775 /nfs/dbraw/zinc/51/37/75/1065513775.db2.gz XHBQEBDOITXCPQ-UHFFFAOYSA-N 0 0 490.655 3.004 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001492467443 1065514156 /nfs/dbraw/zinc/51/41/56/1065514156.db2.gz DNFHJGKRYPZIQA-GOSISDBHSA-N 0 0 488.658 3.461 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@@H](C(C)C)C3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001492467231 1065514247 /nfs/dbraw/zinc/51/42/47/1065514247.db2.gz ABIOYIZWNWDZCO-OAQYLSRUSA-N 0 0 466.611 3.282 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H]2COCCO2)cc1 ZINC001492467225 1065514335 /nfs/dbraw/zinc/51/43/35/1065514335.db2.gz AAXBZGJBLUTSIS-QZTJIDSGSA-N 0 0 485.576 3.367 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[C@H]2C[C@H](F)C2)cc1 ZINC001492467752 1065514899 /nfs/dbraw/zinc/51/48/99/1065514899.db2.gz LSSXVLDDYWTQLS-IYARVYRRSA-N 0 0 467.636 3.099 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2([S@@](C)=O)CC2)cc1 ZINC001492467923 1065515452 /nfs/dbraw/zinc/51/54/52/1065515452.db2.gz QKNNTXRDBVCNOX-JGCGQSQUSA-N 0 0 487.617 3.474 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2Cc2ncccc2C)cc1 ZINC001492467908 1065515497 /nfs/dbraw/zinc/51/54/97/1065515497.db2.gz PXJNPLQYSNEBMG-IBGZPJMESA-N 0 0 486.667 3.101 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492468098 1065515826 /nfs/dbraw/zinc/51/58/26/1065515826.db2.gz UYHNKQRNHLPTME-PMACEKPBSA-N 0 0 486.686 3.093 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(F)F)CC3)n2CCCN2CCOC2=O)cc1 ZINC001492468148 1065515969 /nfs/dbraw/zinc/51/59/69/1065515969.db2.gz WMCCUGGTDNEORY-UHFFFAOYSA-N 0 0 480.585 3.108 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@@]4(CCO[C@H]4C)C3)n2CCCC(=O)N(C)C)cc1 ZINC001492468467 1065517018 /nfs/dbraw/zinc/51/70/18/1065517018.db2.gz DVUOAWSKJZMJOG-CYFREDJKSA-N 0 0 473.643 3.131 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC(=O)N2)cc1 ZINC001492468970 1065517612 /nfs/dbraw/zinc/51/76/12/1065517612.db2.gz UZSAFOCZSQZPCM-MSOLQXFVSA-N 0 0 486.642 3.261 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCOC[C@@H]3C)n2CC2(NC(=O)OC(C)(C)C)COC2)cc1 ZINC001492469086 1065517874 /nfs/dbraw/zinc/51/78/74/1065517874.db2.gz YYNVFQGHXSSIPM-SFHVURJKSA-N 0 0 489.642 3.398 20 0 JGADRN Cc1ccc(SCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001492469138 1065518024 /nfs/dbraw/zinc/51/80/24/1065518024.db2.gz ABWFZUZRNLFCAA-IBGZPJMESA-N 0 0 486.642 3.387 20 0 JGADRN Cc1ccc(SCCn2c(-c3noc4c3COCC4)nnc2N(C)CC(=O)NC(C)C)cc1 ZINC001492469136 1065518077 /nfs/dbraw/zinc/51/80/77/1065518077.db2.gz AAKCXCOUXLPOMX-UHFFFAOYSA-N 0 0 470.599 3.067 20 0 JGADRN Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3F)CC2)cc1 ZINC001492469406 1065518399 /nfs/dbraw/zinc/51/83/99/1065518399.db2.gz JXKSTVMYVPMJRP-UHFFFAOYSA-N 0 0 483.617 3.378 20 0 JGADRN Cc1ccc(SCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC001492469738 1065518950 /nfs/dbraw/zinc/51/89/50/1065518950.db2.gz SKRUOTVJTNTVIJ-AEFFLSMTSA-N 0 0 482.576 3.403 20 0 JGADRN Cc1ccc(SCCn2c(CNC(=O)c3cccs3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC001492469748 1065519043 /nfs/dbraw/zinc/51/90/43/1065519043.db2.gz AJWFNNVURLIFRQ-QGZVFWFLSA-N 0 0 484.651 3.037 20 0 JGADRN Cc1ccc(SCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ncnn2CC(F)F)cc1 ZINC001492469905 1065519495 /nfs/dbraw/zinc/51/94/95/1065519495.db2.gz VPLNJEQCXFZWPU-UHFFFAOYSA-N 0 0 473.557 3.272 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCC(Cl)=C(Cl)C2)c1 ZINC001492470902 1065521236 /nfs/dbraw/zinc/52/12/36/1065521236.db2.gz AMFYZDNYUIZDTC-UHFFFAOYSA-N 0 0 477.396 3.152 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(C(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001492471132 1065521583 /nfs/dbraw/zinc/52/15/83/1065521583.db2.gz GHSCSHUEEMKIFO-LJQANCHMSA-N 0 0 456.591 3.243 20 0 JGADRN Cc1occc1C(=O)NC1CCN(c2nnc(C(C)C)n2CCNC(=O)c2cccc(C)c2)CC1 ZINC001492471371 1065522220 /nfs/dbraw/zinc/52/22/20/1065522220.db2.gz LNXSHWXAPWWGPJ-UHFFFAOYSA-N 0 0 478.597 3.440 20 0 JGADRN Cc1cccc(C(=O)N2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccc(C(N)=O)nc3)CC2)c1 ZINC001492471309 1065522234 /nfs/dbraw/zinc/52/22/34/1065522234.db2.gz JRAXKBRVUNHKNT-UHFFFAOYSA-N 0 0 489.624 3.070 20 0 JGADRN Cc1cccc(C(=O)N2CCCN(c3nnc(C(=O)NC(C)C)n3CCCCOC(C)C)CC2)c1 ZINC001492471502 1065522249 /nfs/dbraw/zinc/52/22/49/1065522249.db2.gz PUQFDOCIFNJHIN-UHFFFAOYSA-N 0 0 484.645 3.282 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(-c3cccn3C)nnc2N2CC[C@@H](OCC(C)C)C2)c1 ZINC001492472046 1065523150 /nfs/dbraw/zinc/52/31/50/1065523150.db2.gz YQDIOLNBALERLH-OAQYLSRUSA-N 0 0 450.587 3.273 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(C(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC001492471986 1065523229 /nfs/dbraw/zinc/52/32/29/1065523229.db2.gz WNNSGGRVGKWULA-UHFFFAOYSA-N 0 0 466.630 3.369 20 0 JGADRN Cc1cccc(C(=O)N2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCSC(F)(F)F)CC2)c1 ZINC001492471871 1065523304 /nfs/dbraw/zinc/52/33/04/1065523304.db2.gz WBVDGSBWSLRFOA-QGZVFWFLSA-N 0 0 496.559 3.143 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(N3CC(C)(C)OC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001492477999 1065523832 /nfs/dbraw/zinc/52/38/32/1065523832.db2.gz BNOWHXUDUOHBFW-HHHXNRCGSA-N 0 0 499.656 3.451 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N(C)C[C@H](C)c2nccs2)c1 ZINC001492478465 1065524829 /nfs/dbraw/zinc/52/48/29/1065524829.db2.gz MWGKJTPHRVORHW-KRWDZBQOSA-N 0 0 462.583 3.170 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N2CCS[C@H](C)[C@@H]2C)c1 ZINC001492478722 1065525377 /nfs/dbraw/zinc/52/53/77/1065525377.db2.gz UGSJFBPHVFMWJH-RBUKOAKNSA-N 0 0 450.612 3.333 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC[C@H]1C ZINC001300796025 1065526249 /nfs/dbraw/zinc/52/62/49/1065526249.db2.gz QQPHXQBZDIMOMY-BMQTXXJKSA-N 0 0 462.616 3.025 20 0 JGADRN CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c(C)noc2C)CC[C@H]1C ZINC001300795918 1065526260 /nfs/dbraw/zinc/52/62/60/1065526260.db2.gz HPDYDPJMERCUDV-JLTOFOAXSA-N 0 0 472.977 3.376 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[S@@](=O)C(C)(C)C)CC1(C)C ZINC001300796541 1065527476 /nfs/dbraw/zinc/52/74/76/1065527476.db2.gz SFDYRHHDNPVGTC-HYDGNGQDSA-N 0 0 486.480 3.455 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C(N)=O)cc2)CC[C@@H]1C ZINC001300796612 1065527975 /nfs/dbraw/zinc/52/79/75/1065527975.db2.gz SUOOLNRVXZQPRY-LIRRHRJNSA-N 0 0 487.402 3.055 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CSCCS2)CC1(C)C ZINC001300796874 1065528637 /nfs/dbraw/zinc/52/86/37/1065528637.db2.gz LSXNKONGQQKKEM-CSODHUTKSA-N 0 0 456.678 3.029 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C(N)=O)cc2)CC1(C)C ZINC001300796973 1065528679 /nfs/dbraw/zinc/52/86/79/1065528679.db2.gz VHTFHCBAHPTEAN-KRWDZBQOSA-N 0 0 473.375 3.044 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)CC2CC2)CC1(C)C ZINC001300797704 1065529810 /nfs/dbraw/zinc/52/98/10/1065529810.db2.gz XRIBGIWPXXTESD-GOSISDBHSA-N 0 0 453.008 3.285 20 0 JGADRN CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1(C)C ZINC001300798932 1065531291 /nfs/dbraw/zinc/53/12/91/1065531291.db2.gz NZJHOTXBWHIVSD-ILZDJORESA-N 0 0 476.021 3.395 20 0 JGADRN CO[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(N(C)C)c2)CC1(C)C ZINC001300799895 1065532224 /nfs/dbraw/zinc/53/22/24/1065532224.db2.gz XMVMQNBCSFEUOB-SQJMNOBHSA-N 0 0 457.619 3.294 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(=O)NCC(F)(F)F)CC1(C)C ZINC001300799891 1065532273 /nfs/dbraw/zinc/53/22/73/1065532273.db2.gz XKKJUIPKBXJWPD-SFHVURJKSA-N 0 0 476.503 3.341 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCOCC2)CC[C@H]1C ZINC001300800388 1065532852 /nfs/dbraw/zinc/53/28/52/1065532852.db2.gz ZYDVBKLDTBEYAG-WOIUINJBSA-N 0 0 461.582 3.141 20 0 JGADRN 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CCOC(=O)C1=CC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 ZINC001300804733 1065536997 /nfs/dbraw/zinc/53/69/97/1065536997.db2.gz QSZUDFUZMYFHAE-IBGZPJMESA-N 0 0 458.536 3.186 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)CC1(C)C ZINC001300805019 1065537460 /nfs/dbraw/zinc/53/74/60/1065537460.db2.gz VVMFCZUJCSZUQZ-INIZCTEOSA-N 0 0 460.380 3.238 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC2(S(C)(=O)=O)CC2)CC[C@@H]1C ZINC001300805326 1065537874 /nfs/dbraw/zinc/53/78/74/1065537874.db2.gz ZSDVMLACZJOALX-STQMWFEESA-N 0 0 489.461 3.208 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3ccccc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC[C@H]1C ZINC001300805681 1065537974 /nfs/dbraw/zinc/53/79/74/1065537974.db2.gz ARXUTIWPJMSZFM-IEBWSBKVSA-N 0 0 457.575 3.100 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(C)(F)F)CC[C@H]1C ZINC001300806879 1065538819 /nfs/dbraw/zinc/53/88/19/1065538819.db2.gz AJBMCQROGVJLAP-GDBMZVCRSA-N 0 0 456.563 3.145 20 0 JGADRN 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CO[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCNC(=O)C(C)C)CC[C@@H]1C ZINC001300817992 1065546204 /nfs/dbraw/zinc/54/62/04/1065546204.db2.gz CSGJTDUJQSNBSN-UWJYYQICSA-N 0 0 452.559 3.234 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(CS(C)(=O)=O)c2)CC[C@@H]1C ZINC001300818221 1065546445 /nfs/dbraw/zinc/54/64/45/1065546445.db2.gz HBSUNZBJTHCAMH-HTAPYJJXSA-N 0 0 469.611 3.103 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(COC(C)(C)C)c2)CC1(C)C ZINC001300818647 1065546905 /nfs/dbraw/zinc/54/69/05/1065546905.db2.gz MVDZZSOXCUMSSU-WOJBJXKFSA-N 0 0 455.603 3.454 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(F)(F)Br)CC[C@H]1C ZINC001300819203 1065547356 /nfs/dbraw/zinc/54/73/56/1065547356.db2.gz OQNCTYHZSUAEBL-DOMZBBRYSA-N 0 0 497.344 3.041 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCOCC(F)F)CC[C@@H]1C ZINC001300818912 1065547617 /nfs/dbraw/zinc/54/76/17/1065547617.db2.gz NQRZJMOQFJIFGI-YOEHRIQHSA-N 0 0 462.501 3.127 20 0 JGADRN 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JGADRN CO[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1(C)C ZINC001300825962 1065554500 /nfs/dbraw/zinc/55/45/00/1065554500.db2.gz KYQPMTMYVUKBGC-SFHVURJKSA-N 0 0 452.596 3.083 20 0 JGADRN CO[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCSC(C)C)CC[C@@H]1C ZINC001300826697 1065555011 /nfs/dbraw/zinc/55/50/11/1065555011.db2.gz WFNQXXQQQRZZLG-AZUAARDMSA-N 0 0 459.664 3.455 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCS2)CC[C@H]1C ZINC001300826416 1065555038 /nfs/dbraw/zinc/55/50/38/1065555038.db2.gz QEQNVEIPUQUMPF-AKHDSKFASA-N 0 0 481.663 3.343 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCS2)CC[C@@H]1C ZINC001300826419 1065555093 /nfs/dbraw/zinc/55/50/93/1065555093.db2.gz QEQNVEIPUQUMPF-ZSYWTGECSA-N 0 0 481.663 3.343 20 0 JGADRN CO[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC001300826744 1065555565 /nfs/dbraw/zinc/55/55/65/1065555565.db2.gz WNDVDJLCDIVBSV-MSOLQXFVSA-N 0 0 459.557 3.308 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC001300826746 1065555757 /nfs/dbraw/zinc/55/57/57/1065555757.db2.gz WNDVDJLCDIVBSV-QZTJIDSGSA-N 0 0 459.557 3.308 20 0 JGADRN CO[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCCO)CC[C@@H]1C ZINC001300827577 1065557006 /nfs/dbraw/zinc/55/70/06/1065557006.db2.gz ZORRWTJBMOVZJQ-ICSRJNTNSA-N 0 0 465.639 3.416 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(Br)n2)CC1(C)C ZINC001300832637 1065565925 /nfs/dbraw/zinc/56/59/25/1065565925.db2.gz APTIJCYSNGGQNM-KRWDZBQOSA-N 0 0 457.376 3.331 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCn2cc(Br)cn2)CC[C@H]1C ZINC001300832666 1065566029 /nfs/dbraw/zinc/56/60/29/1065566029.db2.gz ATNXGRHWVVFWGU-APWZRJJASA-N 0 0 474.407 3.174 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCn2cc(Br)cn2)CC[C@H]1C ZINC001300832669 1065566042 /nfs/dbraw/zinc/56/60/42/1065566042.db2.gz ATNXGRHWVVFWGU-VQIMIIECSA-N 0 0 474.407 3.174 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2cc(COC(C)(C)C)on2)CC[C@@H]1C ZINC001300833067 1065566377 /nfs/dbraw/zinc/56/63/77/1065566377.db2.gz CHSBSFYYQBBHIW-UWJYYQICSA-N 0 0 454.575 3.477 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCCNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001300833506 1065566839 /nfs/dbraw/zinc/56/68/39/1065566839.db2.gz FBNMEUPYJUHEGL-ICSRJNTNSA-N 0 0 458.607 3.430 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCNc2nccc(C(F)(F)F)n2)CC1(C)C ZINC001300834257 1065568909 /nfs/dbraw/zinc/56/89/09/1065568909.db2.gz KRVJAVKKMUOMHW-QGZVFWFLSA-N 0 0 476.507 3.046 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC001300835244 1065570983 /nfs/dbraw/zinc/57/09/83/1065570983.db2.gz QYMFRSDJSRHAGG-LJQANCHMSA-N 0 0 466.552 3.399 20 0 JGADRN Cc1ccc2c(c1)S[C@H](C(=O)N1CCC(n3nncc3I)CC1)C2 ZINC001300835714 1065571318 /nfs/dbraw/zinc/57/13/18/1065571318.db2.gz QXAJMVGYCGIHPY-HNNXBMFYSA-N 0 0 454.337 3.072 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCCCC2=O)CC1(C)C ZINC001300835462 1065571370 /nfs/dbraw/zinc/57/13/70/1065571370.db2.gz SMVHQBSKLCFRAQ-LJQANCHMSA-N 0 0 460.648 3.288 20 0 JGADRN COc1ccc(/C(C)=C/C(=O)N2CCC(n3nncc3I)CC2)cc1 ZINC001300835582 1065571384 /nfs/dbraw/zinc/57/13/84/1065571384.db2.gz OIGQTJYEDWCZAS-ACCUITESSA-N 0 0 452.296 3.158 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CCC2)CC[C@H]1C ZINC001300838063 1065574060 /nfs/dbraw/zinc/57/40/60/1065574060.db2.gz HOSUUAPGSZBTJN-NQIIRXRSSA-N 0 0 476.643 3.302 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC[C@@H]1C ZINC001300838222 1065574198 /nfs/dbraw/zinc/57/41/98/1065574198.db2.gz JUJLNFVRMBCTLX-IEIRFRATSA-N 0 0 455.603 3.285 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)NC(C)C)CC[C@H]1C ZINC001300839725 1065576317 /nfs/dbraw/zinc/57/63/17/1065576317.db2.gz SXTXODCIUIQLLO-QAPCUYQASA-N 0 0 480.407 3.005 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)NC(C)C)CC[C@H]1C ZINC001300839721 1065576403 /nfs/dbraw/zinc/57/64/03/1065576403.db2.gz SXTXODCIUIQLLO-CRAIPNDOSA-N 0 0 480.407 3.005 20 0 JGADRN CO[C@H]1CN(c2nnc(CC3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1(C)C ZINC001300840019 1065576931 /nfs/dbraw/zinc/57/69/31/1065576931.db2.gz KLDVSTOUNBQBEL-QFIPXVFZSA-N 0 0 469.630 3.387 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(C)n(C)c2=O)CC[C@@H]1C ZINC001300840418 1065577590 /nfs/dbraw/zinc/57/75/90/1065577590.db2.gz DRDVEGBNLDURPS-WMZHIEFXSA-N 0 0 465.598 3.391 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1(C)C ZINC001300840591 1065577993 /nfs/dbraw/zinc/57/79/93/1065577993.db2.gz VLMPXGQERAVXCJ-RXVVDRJESA-N 0 0 459.566 3.116 20 0 JGADRN CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(C)(C)O)cc2)CC[C@H]1C ZINC001300840708 1065578504 /nfs/dbraw/zinc/57/85/04/1065578504.db2.gz FOOUWYQLYLQZMA-VGSWGCGISA-N 0 0 452.603 3.277 20 0 JGADRN CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CC(C)C)c2C)CC[C@@H]1C ZINC001300842520 1065580956 /nfs/dbraw/zinc/58/09/56/1065580956.db2.gz MUJAZAADOOEPLO-JTSKRJEESA-N 0 0 454.623 3.210 20 0 JGADRN 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CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCC2(O)CCOCC2)CC[C@H]1C ZINC001300846004 1065588569 /nfs/dbraw/zinc/58/85/69/1065588569.db2.gz ZDWPUJZJDQEXGU-IFMALSPDSA-N 0 0 458.603 3.267 20 0 JGADRN COC(=O)[C@H]1CC(F)(F)CN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001300846424 1065590353 /nfs/dbraw/zinc/59/03/53/1065590353.db2.gz BKODWGIYZJBLCT-MRXNPFEDSA-N 0 0 458.870 3.164 20 0 JGADRN CO[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCC(F)F)CC[C@@H]1C ZINC001300847132 1065590453 /nfs/dbraw/zinc/59/04/53/1065590453.db2.gz IMTWTLOFZVBSKF-NXOAAHMSSA-N 0 0 473.565 3.192 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)nc2)CC[C@@H]1C ZINC001300849939 1065593094 /nfs/dbraw/zinc/59/30/94/1065593094.db2.gz PDCDAFGAGPTTQL-MJUUVYJYSA-N 0 0 499.660 3.419 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccon1 ZINC001300852075 1065597614 /nfs/dbraw/zinc/59/76/14/1065597614.db2.gz BXXXDGSMKJBVHV-CRAIPNDOSA-N 0 0 462.348 3.384 20 0 JGADRN 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CC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CCC(F)(F)CC1 ZINC001300865219 1065628655 /nfs/dbraw/zinc/62/86/55/1065628655.db2.gz FAFVBHOTZPYECI-AWEZNQCLSA-N 0 0 450.935 3.495 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001300866347 1065630465 /nfs/dbraw/zinc/63/04/65/1065630465.db2.gz NLPWXUVQUYDORQ-FYYLOGMGSA-N 0 0 478.597 3.007 20 0 JGADRN O=C(CCCNC(=O)c1ccc(F)cc1F)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001300866781 1065631068 /nfs/dbraw/zinc/63/10/68/1065631068.db2.gz IZNZXIRLPINGOS-SFHVURJKSA-N 0 0 451.901 3.150 20 0 JGADRN CO[C@@H]1COCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001300867694 1065632595 /nfs/dbraw/zinc/63/25/95/1065632595.db2.gz RBKSKCLHMTYNBN-NGYIFUPDSA-N 0 0 482.629 3.354 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1C(C)(C)C ZINC001300871522 1065644681 /nfs/dbraw/zinc/64/46/81/1065644681.db2.gz MGISQPZVEWTSBS-NVXWUHKLSA-N 0 0 464.998 3.118 20 0 JGADRN 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JDTOLOQSQFUTBM-NFBKMPQASA-N 0 0 469.630 3.355 20 0 JGADRN COCc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001301174785 1066008243 /nfs/dbraw/zinc/00/82/43/1066008243.db2.gz NXCWXDQFUUPFJA-ROUUACIJSA-N 0 0 472.533 3.154 20 0 JGADRN COCc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001301179517 1066010938 /nfs/dbraw/zinc/01/09/38/1066010938.db2.gz YQCOFKVVUZOICO-UHFFFAOYSA-N 0 0 495.628 3.392 20 0 JGADRN COCC1=CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2c(C)noc2C)CC1 ZINC001301180365 1066011330 /nfs/dbraw/zinc/01/13/30/1066011330.db2.gz INRKYFCYRCVVDO-UHFFFAOYSA-N 0 0 484.988 3.492 20 0 JGADRN COCC1=CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001301181192 1066011714 /nfs/dbraw/zinc/01/17/14/1066011714.db2.gz OOCPXHZFCGOGDP-TZIWHRDSSA-N 0 0 474.005 3.460 20 0 JGADRN COCC1=CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001301181187 1066011874 /nfs/dbraw/zinc/01/18/74/1066011874.db2.gz OOCPXHZFCGOGDP-CTNGQTDRSA-N 0 0 474.005 3.460 20 0 JGADRN COCC1=CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001301182279 1066012230 /nfs/dbraw/zinc/01/22/30/1066012230.db2.gz WTEUKWOEUVEIHH-MGBGTMOVSA-N 0 0 494.061 3.192 20 0 JGADRN COCC1=CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001301181247 1066012241 /nfs/dbraw/zinc/01/22/41/1066012241.db2.gz PZVJVDKHIHNSDS-QGZVFWFLSA-N 0 0 466.517 3.315 20 0 JGADRN COCC1=CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001301181302 1066012252 /nfs/dbraw/zinc/01/22/52/1066012252.db2.gz RFXXRDIUAQBQGA-QSFXBCCZSA-N 0 0 480.034 3.443 20 0 JGADRN COCC1=CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(F)c2)CC1 ZINC001301181216 1066012314 /nfs/dbraw/zinc/01/23/14/1066012314.db2.gz OXRRKASRJAXSGF-UHFFFAOYSA-N 0 0 450.518 3.480 20 0 JGADRN CC(=O)Nc1ccc(C)c(C(=O)N2CCc3[nH]cnc3[C@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001301182705 1066012656 /nfs/dbraw/zinc/01/26/56/1066012656.db2.gz RBUQTJBAFZRUEI-XMMPIXPASA-N 0 0 453.543 3.211 20 0 JGADRN COCC1=CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001301184099 1066013226 /nfs/dbraw/zinc/01/32/26/1066013226.db2.gz CMPNHUWHUFOWAS-WJOKGBTCSA-N 0 0 452.527 3.241 20 0 JGADRN COc1ccc(Br)cc1C(=O)CCC(=O)NCc1nnc2ccc(Cl)cn21 ZINC001301184041 1066013246 /nfs/dbraw/zinc/01/32/46/1066013246.db2.gz XHSQIPWXLDHDRD-UHFFFAOYSA-N 0 0 451.708 3.433 20 0 JGADRN COCC1=CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnccc2OC)CC1 ZINC001301184402 1066013684 /nfs/dbraw/zinc/01/36/84/1066013684.db2.gz KPWLBGUDDJHUGT-UHFFFAOYSA-N 0 0 481.553 3.206 20 0 JGADRN COCC1=CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001301184614 1066014133 /nfs/dbraw/zinc/01/41/33/1066014133.db2.gz QPWAVSDWMKLDRZ-INIZCTEOSA-N 0 0 482.972 3.397 20 0 JGADRN COCC1=CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001301184678 1066014311 /nfs/dbraw/zinc/01/43/11/1066014311.db2.gz SYCJIUWEMBBNLS-UHFFFAOYSA-N 0 0 495.422 3.354 20 0 JGADRN COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nc(C)c(C)s2)CC1 ZINC001301185096 1066015193 /nfs/dbraw/zinc/01/51/93/1066015193.db2.gz GXXMULZGULSGGT-UHFFFAOYSA-N 0 0 473.624 3.253 20 0 JGADRN COCC1=CCN(c2nnc(-c3ccccc3Br)n2C[C@H](COC)OC)CC1 ZINC001301187377 1066016998 /nfs/dbraw/zinc/01/69/98/1066016998.db2.gz CPUVUXFLSLPGJH-MRXNPFEDSA-N 0 0 451.365 3.152 20 0 JGADRN COCC1=CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001301188042 1066017329 /nfs/dbraw/zinc/01/73/29/1066017329.db2.gz JXIATBUUXCWTMK-UTKZUKDTSA-N 0 0 462.978 3.442 20 0 JGADRN COCC1=CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001301193695 1066020553 /nfs/dbraw/zinc/02/05/53/1066020553.db2.gz IOMCFQLPIAQLGL-ICSRJNTNSA-N 0 0 463.623 3.458 20 0 JGADRN COCC1=CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2)CC1 ZINC001301195339 1066021851 /nfs/dbraw/zinc/02/18/51/1066021851.db2.gz ULQAEECGHCWKCM-OAQYLSRUSA-N 0 0 469.586 3.418 20 0 JGADRN COCC1=CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001301196433 1066022932 /nfs/dbraw/zinc/02/29/32/1066022932.db2.gz YTXJDDMSESRFMJ-UHFFFAOYSA-N 0 0 456.497 3.134 20 0 JGADRN COCC1=CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001301195939 1066022951 /nfs/dbraw/zinc/02/29/51/1066022951.db2.gz LZGOLRHCQPHQLH-UHFFFAOYSA-N 0 0 451.596 3.463 20 0 JGADRN COCC1=CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)cc2F)CC1 ZINC001301199489 1066025283 /nfs/dbraw/zinc/02/52/83/1066025283.db2.gz MAUYTHAXZZNWCN-UHFFFAOYSA-N 0 0 471.558 3.249 20 0 JGADRN C[C@@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)c1ccc2c(c1)CCCO2 ZINC001301200328 1066025603 /nfs/dbraw/zinc/02/56/03/1066025603.db2.gz BXUHPKYDSFQTGY-OAHLLOKOSA-N 0 0 451.552 3.362 20 0 JGADRN CCOC(=O)[C@H](NC(=O)c1cc(Br)c(F)cc1N)[C@H](O)c1ccc(Cl)cc1 ZINC001301201369 1066026605 /nfs/dbraw/zinc/02/66/05/1066026605.db2.gz QDRWKUPJUUZKHR-HZPDHXFCSA-N 0 0 459.699 3.219 20 0 JGADRN COCC1=CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(OC)nc2OC)CC1 ZINC001301204034 1066027932 /nfs/dbraw/zinc/02/79/32/1066027932.db2.gz NKEIAJFJBYWFKP-UHFFFAOYSA-N 0 0 469.517 3.240 20 0 JGADRN COCC1=CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001301203521 1066028055 /nfs/dbraw/zinc/02/80/55/1066028055.db2.gz HVCDVOVWQINABR-YDIMBITNSA-N 0 0 463.623 3.239 20 0 JGADRN COCC1=CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)CC(F)(F)F)CC1 ZINC001301204646 1066028340 /nfs/dbraw/zinc/02/83/40/1066028340.db2.gz VTFDAXZCEHCMBH-QZTJIDSGSA-N 0 0 459.557 3.474 20 0 JGADRN CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1ccc(I)cc1N)C2 ZINC001301204456 1066028398 /nfs/dbraw/zinc/02/83/98/1066028398.db2.gz LQWJDSZNWZIYKO-UHFFFAOYSA-N 0 0 457.312 3.003 20 0 JGADRN COCC1=CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001301204340 1066028536 /nfs/dbraw/zinc/02/85/36/1066028536.db2.gz RRMHOTNFSXYVAT-OYRHEFFESA-N 0 0 497.644 3.341 20 0 JGADRN COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](c3ccccc3)C[C@H]2C)cs1 ZINC001301204825 1066028733 /nfs/dbraw/zinc/02/87/33/1066028733.db2.gz DPABVQPJUCCQMX-AEFFLSMTSA-N 0 0 454.600 3.450 20 0 JGADRN COCc1nc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(NC(C)=O)CC2)cs1 ZINC001301205034 1066028782 /nfs/dbraw/zinc/02/87/82/1066028782.db2.gz GGVOPDHOTYXABL-OAHLLOKOSA-N 0 0 488.589 3.313 20 0 JGADRN COCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2ccc(C)cc2)cs1 ZINC001301205048 1066028848 /nfs/dbraw/zinc/02/88/48/1066028848.db2.gz GLPBDTQPKVWMPT-QFBILLFUSA-N 0 0 490.655 3.189 20 0 JGADRN COCc1nc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C(=O)OC)C2)cs1 ZINC001301205348 1066029251 /nfs/dbraw/zinc/02/92/51/1066029251.db2.gz IKZFJQOYNNETOF-LSDHHAIUSA-N 0 0 475.546 3.208 20 0 JGADRN C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001301205823 1066029666 /nfs/dbraw/zinc/02/96/66/1066029666.db2.gz YRAQFVJMTDBECU-UYAOXDASSA-N 0 0 453.486 3.359 20 0 JGADRN COCc1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC001301206162 1066029850 /nfs/dbraw/zinc/02/98/50/1066029850.db2.gz DBHICOFYEXGWSX-CQSZACIVSA-N 0 0 485.994 3.012 20 0 JGADRN COCc1nc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C(=O)OC)C2)cs1 ZINC001301206153 1066029863 /nfs/dbraw/zinc/02/98/63/1066029863.db2.gz CZURRWDQBFANKV-LLVKDONJSA-N 0 0 498.428 3.420 20 0 JGADRN COCc1nc(Cn2c(-c3cccc(OC)c3)nnc2N2CCO[C@H](COC(C)C)C2)cs1 ZINC001301206087 1066029999 /nfs/dbraw/zinc/02/99/99/1066029999.db2.gz BQSQGQHFOCQXKL-FQEVSTJZSA-N 0 0 473.599 3.235 20 0 JGADRN COCc1nc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)cs1 ZINC001301206096 1066030075 /nfs/dbraw/zinc/03/00/75/1066030075.db2.gz BWKPWJPVCBKSBK-GJZGRUSLSA-N 0 0 493.680 3.330 20 0 JGADRN COCc1nc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](COC)C2)cs1 ZINC001301206362 1066030289 /nfs/dbraw/zinc/03/02/89/1066030289.db2.gz GIZMAYYXSBKGGW-KRWDZBQOSA-N 0 0 494.415 3.210 20 0 JGADRN COCc1nc(Cn2c(-c3ccccc3F)nnc2N2CCN(CC(F)F)CC2)cs1 ZINC001301206318 1066030317 /nfs/dbraw/zinc/03/03/17/1066030317.db2.gz FMNRLXVWDSJAAG-UHFFFAOYSA-N 0 0 452.506 3.123 20 0 JGADRN COCc1nc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(O)(C(F)(F)F)CC2)cs1 ZINC001301206327 1066030402 /nfs/dbraw/zinc/03/04/02/1066030402.db2.gz FPHIANMUDVEELK-UHFFFAOYSA-N 0 0 457.478 3.391 20 0 JGADRN COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3ccc(Cl)cc3C2)cs1 ZINC001301206353 1066030415 /nfs/dbraw/zinc/03/04/15/1066030415.db2.gz RWSWYSNYQNSKKG-UHFFFAOYSA-N 0 0 460.991 3.284 20 0 JGADRN COCc1nc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC=C(C)C2)cs1 ZINC001301206326 1066030430 /nfs/dbraw/zinc/03/04/30/1066030430.db2.gz FOJQYDVITJWDPW-UHFFFAOYSA-N 0 0 488.639 3.003 20 0 JGADRN COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(Cl)cccc3C2)cs1 ZINC001301206823 1066030678 /nfs/dbraw/zinc/03/06/78/1066030678.db2.gz WUOSJILCCGXVMA-UHFFFAOYSA-N 0 0 460.991 3.284 20 0 JGADRN COCc1nc(Cn2c(-c3ccccn3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cs1 ZINC001301208683 1066032466 /nfs/dbraw/zinc/03/24/66/1066032466.db2.gz ZZBWHIISCZOWIE-MRXNPFEDSA-N 0 0 485.614 3.342 20 0 JGADRN COCc1nc(Cn2c(-c3cccnc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cs1 ZINC001301209202 1066033156 /nfs/dbraw/zinc/03/31/56/1066033156.db2.gz 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452.607 3.290 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001301248855 1066065848 /nfs/dbraw/zinc/06/58/48/1066065848.db2.gz JHZAOFWEDVKSRB-FQEVSTJZSA-N 0 0 496.603 3.224 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2Cc2cc(Cl)ccc2OC)C1 ZINC001301248611 1066065869 /nfs/dbraw/zinc/06/58/69/1066065869.db2.gz INILQURUKLPERQ-QGZVFWFLSA-N 0 0 461.994 3.364 20 0 JGADRN COC[C@H]1CCCCN(c2nnc(Cc3ccsc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001301248973 1066066323 /nfs/dbraw/zinc/06/63/23/1066066323.db2.gz KNKUWZKGLJXALL-OALUTQOASA-N 0 0 487.592 3.446 20 0 JGADRN COC[C@@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C[S@@](C)=O)cc2)C1 ZINC001301250420 1066067502 /nfs/dbraw/zinc/06/75/02/1066067502.db2.gz VCLZNMNVBNIVMQ-GRMGDBHTSA-N 0 0 484.670 3.319 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@H](COC)C2)n1Cc1ccc(OC(C)C)nc1 ZINC001301250837 1066067560 /nfs/dbraw/zinc/06/75/60/1066067560.db2.gz HSRFHXWNNMSQHM-FUDKSRODSA-N 0 0 473.618 3.486 20 0 JGADRN 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COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)c2ccc(F)cc2F)c1 ZINC001301270639 1066084156 /nfs/dbraw/zinc/08/41/56/1066084156.db2.gz BUYSYIFNDRFNTB-PMACEKPBSA-N 0 0 450.482 3.259 20 0 JGADRN COC[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)OC)C1 ZINC001301273616 1066084846 /nfs/dbraw/zinc/08/48/46/1066084846.db2.gz IFNVGDIXIUJKPB-QRVBRYPASA-N 0 0 451.612 3.290 20 0 JGADRN O=C(N[C@H](CO)c1ccc(F)cc1F)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001301273546 1066084911 /nfs/dbraw/zinc/08/49/11/1066084911.db2.gz VZZWVYIVOGSSBT-HXUWFJFHSA-N 0 0 450.438 3.368 20 0 JGADRN O=C(N[C@@H](CO)c1ccc(F)cc1F)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001301273544 1066084970 /nfs/dbraw/zinc/08/49/70/1066084970.db2.gz VZZWVYIVOGSSBT-FQEVSTJZSA-N 0 0 450.438 3.368 20 0 JGADRN COC[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)OC)C1 ZINC001301273612 1066085016 /nfs/dbraw/zinc/08/50/16/1066085016.db2.gz IFNVGDIXIUJKPB-IPMKNSEASA-N 0 0 451.612 3.290 20 0 JGADRN COC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001301274745 1066085547 /nfs/dbraw/zinc/08/55/47/1066085547.db2.gz SRVQHDRHAYTKOS-CVEARBPZSA-N 0 0 454.497 3.086 20 0 JGADRN COC[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCO2)C1 ZINC001301275368 1066086566 /nfs/dbraw/zinc/08/65/66/1066086566.db2.gz ZEWYWQXTAZMQBG-ICSRJNTNSA-N 0 0 463.623 3.434 20 0 JGADRN COC[C@H]1CCCN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 ZINC001301275238 1066086603 /nfs/dbraw/zinc/08/66/03/1066086603.db2.gz YSVBRTVTFACKTP-KRWDZBQOSA-N 0 0 467.661 3.147 20 0 JGADRN COC[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCO2)C1 ZINC001301275370 1066086639 /nfs/dbraw/zinc/08/66/39/1066086639.db2.gz ZEWYWQXTAZMQBG-UYAOXDASSA-N 0 0 463.623 3.434 20 0 JGADRN COC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C(F)(F)F)C1 ZINC001301275596 1066086816 /nfs/dbraw/zinc/08/68/16/1066086816.db2.gz ICDJUWWCMOSBPH-WBVHZDCISA-N 0 0 472.533 3.110 20 0 JGADRN 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/nfs/dbraw/zinc/38/67/61/1067386761.db2.gz HRGFOOGRRHJGQZ-VNTMZGSJSA-N 0 0 463.623 3.337 20 0 JGADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC(=O)N2)o1 ZINC001304343797 1067386752 /nfs/dbraw/zinc/38/67/52/1067386752.db2.gz HRQPJRDFRFIROY-MRXNPFEDSA-N 0 0 474.359 3.436 20 0 JGADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC2([S@@](C)=O)CC2)s1 ZINC001304343260 1067386771 /nfs/dbraw/zinc/38/67/71/1067386771.db2.gz DFABWZAHNWSYTA-SSEXGKCCSA-N 0 0 463.654 3.187 20 0 JGADRN Cc1ccc(CN(C)c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)N(C)C)s1 ZINC001304344305 1067387097 /nfs/dbraw/zinc/38/70/97/1067387097.db2.gz NOUUKZQHGGVDMU-UHFFFAOYSA-N 0 0 472.640 3.179 20 0 JGADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC(C)(C)OC(C)(C)C2)c(O[C@@H]2CCOC2)c1 ZINC001304344583 1067387381 /nfs/dbraw/zinc/38/73/81/1067387381.db2.gz DIESFIKADGDDAF-HXUWFJFHSA-N 0 0 485.629 3.335 20 0 JGADRN Cc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2nccs2)s1 ZINC001304344812 1067387725 /nfs/dbraw/zinc/38/77/25/1067387725.db2.gz AREIKXCNELMWNF-ZFWWWQNUSA-N 0 0 451.643 3.447 20 0 JGADRN CSCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001302798811 1067387621 /nfs/dbraw/zinc/38/76/21/1067387621.db2.gz CFEZFOXAFGCELS-OAHLLOKOSA-N 0 0 458.053 3.117 20 0 JGADRN CSCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001302798841 1067387668 /nfs/dbraw/zinc/38/76/68/1067387668.db2.gz CVHRTWQSLDHEGN-LJQANCHMSA-N 0 0 450.406 3.177 20 0 JGADRN Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(F)c1 ZINC001304346242 1067388489 /nfs/dbraw/zinc/38/84/89/1067388489.db2.gz YHNLGHCHYPHJEB-LJQANCHMSA-N 0 0 484.620 3.387 20 0 JGADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](OCCCc3ccccc3)C2)cn1 ZINC001304346111 1067388679 /nfs/dbraw/zinc/38/86/79/1067388679.db2.gz VNJBDPHKVZHZPL-HSZRJFAPSA-N 0 0 462.598 3.396 20 0 JGADRN Cc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)s1 ZINC001304346600 1067388962 /nfs/dbraw/zinc/38/89/62/1067388962.db2.gz UTLVKLFCSSIDKD-FUHWJXTLSA-N 0 0 473.565 3.442 20 0 JGADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)s1 ZINC001304346599 1067388996 /nfs/dbraw/zinc/38/89/96/1067388996.db2.gz UTLVKLFCSSIDKD-AEFFLSMTSA-N 0 0 473.565 3.442 20 0 JGADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)s1 ZINC001304346731 1067389006 /nfs/dbraw/zinc/38/90/06/1067389006.db2.gz XXWPYPDOHSOYHZ-QGZVFWFLSA-N 0 0 452.646 3.272 20 0 JGADRN Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)s1 ZINC001304347131 1067389179 /nfs/dbraw/zinc/38/91/79/1067389179.db2.gz KRQGDHASEAGEHM-UHFFFAOYSA-N 0 0 497.522 3.366 20 0 JGADRN CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001302800331 1067389566 /nfs/dbraw/zinc/38/95/66/1067389566.db2.gz CKKHDPZFYDJIDV-UHFFFAOYSA-N 0 0 479.720 3.246 20 0 JGADRN CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc3ccccc3o2)CC1 ZINC001302800527 1067389577 /nfs/dbraw/zinc/38/95/77/1067389577.db2.gz FRFHOBBRHCVCRR-OAHLLOKOSA-N 0 0 478.644 3.167 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001302800412 1067389651 /nfs/dbraw/zinc/38/96/51/1067389651.db2.gz VUJPSYNBQVIJEN-LMMKCTJWSA-N 0 0 467.540 3.259 20 0 JGADRN CSCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001302800603 1067389713 /nfs/dbraw/zinc/38/97/13/1067389713.db2.gz HVHHWKXUYJIFKT-MAUKXSAKSA-N 0 0 462.595 3.351 20 0 JGADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](S(C)(=O)=O)C2)s1 ZINC001304348408 1067389921 /nfs/dbraw/zinc/38/99/21/1067389921.db2.gz DRVNJDGCJCMRDE-AWEZNQCLSA-N 0 0 470.418 3.077 20 0 JGADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@@H](C)[C@H]2C)c(=O)n1C ZINC001304348946 1067390159 /nfs/dbraw/zinc/39/01/59/1067390159.db2.gz HNDUOVKRADOAOG-CABCVRRESA-N 0 0 491.459 3.432 20 0 JGADRN CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001302801156 1067390266 /nfs/dbraw/zinc/39/02/66/1067390266.db2.gz OIBARSQXGHAGBL-QWHCGFSZSA-N 0 0 459.588 3.043 20 0 JGADRN Cc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 ZINC001304349096 1067390448 /nfs/dbraw/zinc/39/04/48/1067390448.db2.gz GXKKAUZVWDCYTL-GOSISDBHSA-N 0 0 490.427 3.391 20 0 JGADRN CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 ZINC001302801374 1067390579 /nfs/dbraw/zinc/39/05/79/1067390579.db2.gz TUDATPGSOUGWPT-MRXNPFEDSA-N 0 0 491.687 3.141 20 0 JGADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@H](C)[C@@H]2C)c(=O)n1C ZINC001304348949 1067390540 /nfs/dbraw/zinc/39/05/40/1067390540.db2.gz HNDUOVKRADOAOG-LSDHHAIUSA-N 0 0 491.459 3.432 20 0 JGADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)s1 ZINC001304349394 1067390672 /nfs/dbraw/zinc/39/06/72/1067390672.db2.gz HCRRUSYSFRYJKA-DNVCBOLYSA-N 0 0 479.603 3.024 20 0 JGADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CCOc2ccc(Cl)cc2)s1 ZINC001304349339 1067390841 /nfs/dbraw/zinc/39/08/41/1067390841.db2.gz GLOBYEMPPBBHDH-OAHLLOKOSA-N 0 0 484.047 3.475 20 0 JGADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CCOc2ccccc2Cl)s1 ZINC001304349738 1067391153 /nfs/dbraw/zinc/39/11/53/1067391153.db2.gz ICZIZXQVLMVVNF-OAHLLOKOSA-N 0 0 484.047 3.475 20 0 JGADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H]2CCOC2)c(=O)n1C ZINC001304350252 1067391715 /nfs/dbraw/zinc/39/17/15/1067391715.db2.gz RSLUOTZSFRQBIL-LPHOPBHVSA-N 0 0 457.962 3.352 20 0 JGADRN CSCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001302803527 1067391965 /nfs/dbraw/zinc/39/19/65/1067391965.db2.gz UOYGGKPLSVTMDE-HNNXBMFYSA-N 0 0 458.415 3.346 20 0 JGADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC(C)(C)[C@@H]2C)c(OCC2CC2)c1 ZINC001304350437 1067392024 /nfs/dbraw/zinc/39/20/24/1067392024.db2.gz KZFPGWUUYREWMF-MSOLQXFVSA-N 0 0 491.658 3.038 20 0 JGADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)s1 ZINC001304350469 1067392034 /nfs/dbraw/zinc/39/20/34/1067392034.db2.gz LJKYOASGYSSATI-DOTOQJQBSA-N 0 0 492.646 3.161 20 0 JGADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C)CC2)c(O[C@H]2CCOC2)c1 ZINC001304350394 1067392059 /nfs/dbraw/zinc/39/20/59/1067392059.db2.gz KMXDNVQLGDVIMI-LMNJBCLMSA-N 0 0 491.658 3.039 20 0 JGADRN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 ZINC001304350911 1067392244 /nfs/dbraw/zinc/39/22/44/1067392244.db2.gz VABWZLWBTUUJQQ-DLBZAZTESA-N 0 0 454.962 3.490 20 0 JGADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@H]3CCOC3)nnc2N(C)CCn2cccn2)c1 ZINC001302804000 1067392274 /nfs/dbraw/zinc/39/22/74/1067392274.db2.gz LLOWZYLNESHMNC-FQEVSTJZSA-N 0 0 451.575 3.148 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001302803931 1067392283 /nfs/dbraw/zinc/39/22/83/1067392283.db2.gz AWDPMGQSWZABGZ-VWNXMTODSA-N 0 0 470.662 3.262 20 0 JGADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001302804761 1067392877 /nfs/dbraw/zinc/39/28/77/1067392877.db2.gz DJLCXNHGKLJXRI-AUSIDOKSSA-N 0 0 478.634 3.473 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001302804883 1067392889 /nfs/dbraw/zinc/39/28/89/1067392889.db2.gz FFNLBOJCKDDJRW-GGAORHGYSA-N 0 0 483.661 3.345 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001302804762 1067392911 /nfs/dbraw/zinc/39/29/11/1067392911.db2.gz DJLCXNHGKLJXRI-CVDCTZTESA-N 0 0 478.634 3.473 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCCOc3ccc4c(c3)CCC(=O)N4)C[C@@H]2C1 ZINC001304351446 1067393062 /nfs/dbraw/zinc/39/30/62/1067393062.db2.gz BHYNPKYXQGMLSR-MOPGFXCFSA-N 0 0 457.571 3.446 20 0 JGADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(=O)n1C ZINC001304352470 1067393384 /nfs/dbraw/zinc/39/33/84/1067393384.db2.gz KQGCNKRLQSFQBS-FQEVSTJZSA-N 0 0 495.628 3.175 20 0 JGADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001302805530 1067393564 /nfs/dbraw/zinc/39/35/64/1067393564.db2.gz ZUFCHDXBEMQGPI-OAQYLSRUSA-N 0 0 498.653 3.330 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001302806160 1067393708 /nfs/dbraw/zinc/39/37/08/1067393708.db2.gz KMSQRLRFZSGILG-ZRNYENFQSA-N 0 0 463.623 3.337 20 0 JGADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)s1 ZINC001304353846 1067393967 /nfs/dbraw/zinc/39/39/67/1067393967.db2.gz HQCFOEQNTQJANM-UHFFFAOYSA-N 0 0 454.581 3.193 20 0 JGADRN Cc1ccc(Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CCCCCO)s1 ZINC001304353825 1067394000 /nfs/dbraw/zinc/39/40/00/1067394000.db2.gz GRLQAGVGYIKKKN-UHFFFAOYSA-N 0 0 452.584 3.209 20 0 JGADRN CC(C)CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(F)(F)F)C2)c1 ZINC001302806510 1067394070 /nfs/dbraw/zinc/39/40/70/1067394070.db2.gz MELZYHRMWNTQIO-SFHVURJKSA-N 0 0 496.534 3.217 20 0 JGADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)cn1 ZINC001304354211 1067394140 /nfs/dbraw/zinc/39/41/40/1067394140.db2.gz NQMHJHAUBNESQQ-UHFFFAOYSA-N 0 0 473.503 3.295 20 0 JGADRN Cc1ccc(Cn2c(C3CCCC3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(N2CCOCC2)c1 ZINC001304354143 1067394295 /nfs/dbraw/zinc/39/42/95/1067394295.db2.gz GIPGAAFFHKEUDK-VQTJNVASSA-N 0 0 489.686 3.387 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001302807265 1067394558 /nfs/dbraw/zinc/39/45/58/1067394558.db2.gz POZGGJWBBRQRRF-DGGJZMOXSA-N 0 0 461.557 3.265 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001302807279 1067394730 /nfs/dbraw/zinc/39/47/30/1067394730.db2.gz PTEDOUXYWUMCSJ-GMAHTHKFSA-N 0 0 475.678 3.393 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001304355159 1067394807 /nfs/dbraw/zinc/39/48/07/1067394807.db2.gz XJXBEZACDNRNTO-NVXWUHKLSA-N 0 0 460.604 3.141 20 0 JGADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001304355160 1067394830 /nfs/dbraw/zinc/39/48/30/1067394830.db2.gz XJXBEZACDNRNTO-WBVHZDCISA-N 0 0 460.604 3.141 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC001304355181 1067395185 /nfs/dbraw/zinc/39/51/85/1067395185.db2.gz XTCCWUFWLFIATP-HNAYVOBHSA-N 0 0 473.624 3.248 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1 ZINC001302807581 1067395112 /nfs/dbraw/zinc/39/51/12/1067395112.db2.gz RPXGTTLLPUUIAL-SBHAEUEKSA-N 0 0 464.607 3.407 20 0 JGADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001302808033 1067395626 /nfs/dbraw/zinc/39/56/26/1067395626.db2.gz UMQOJUDNMCRQJS-GBXCKJPGSA-N 0 0 490.670 3.364 20 0 JGADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CCN2CCOCC2)c(O[C@H]2CCOC2)c1 ZINC001304355868 1067395700 /nfs/dbraw/zinc/39/57/00/1067395700.db2.gz IKZUYAMYYAHYCL-QFIPXVFZSA-N 0 0 471.646 3.160 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](CC(C)C)C2)c(C)c1 ZINC001304356262 1067396062 /nfs/dbraw/zinc/39/60/62/1067396062.db2.gz KUCAEAABOJUUAM-RBBKRZOGSA-N 0 0 475.659 3.149 20 0 JGADRN Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001304356635 1067396340 /nfs/dbraw/zinc/39/63/40/1067396340.db2.gz BOULRPAFWQDJSL-UTKZUKDTSA-N 0 0 463.586 3.365 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001302808129 1067396314 /nfs/dbraw/zinc/39/63/14/1067396314.db2.gz VLULGVIIXMMEMP-UPVQGACJSA-N 0 0 462.598 3.450 20 0 JGADRN Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001304356633 1067396380 /nfs/dbraw/zinc/39/63/80/1067396380.db2.gz BOULRPAFWQDJSL-LAUBAEHRSA-N 0 0 463.586 3.365 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c(=O)n1C ZINC001304356790 1067396506 /nfs/dbraw/zinc/39/65/06/1067396506.db2.gz JOTRMIMCHZWYLE-UHFFFAOYSA-N 0 0 497.043 3.272 20 0 JGADRN CSCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001302808488 1067396544 /nfs/dbraw/zinc/39/65/44/1067396544.db2.gz BPTCVALRNDYPNW-CABCVRRESA-N 0 0 454.691 3.322 20 0 JGADRN CSCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001302808490 1067396602 /nfs/dbraw/zinc/39/66/02/1067396602.db2.gz BPTCVALRNDYPNW-HUUCEWRRSA-N 0 0 454.691 3.322 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)c(=O)n1C ZINC001304357844 1067396805 /nfs/dbraw/zinc/39/68/05/1067396805.db2.gz RQQGOIORWTVGFV-QGZVFWFLSA-N 0 0 492.521 3.136 20 0 JGADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001302808991 1067397098 /nfs/dbraw/zinc/39/70/98/1067397098.db2.gz YQBWGQIHIAQJBN-GUDVDZBRSA-N 0 0 487.567 3.476 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCc1ccccc1 ZINC001302809006 1067397536 /nfs/dbraw/zinc/39/75/36/1067397536.db2.gz YUHUAPLOOPWGHH-ZRBLBEILSA-N 0 0 490.670 3.284 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCc1ccccc1 ZINC001302809003 1067397549 /nfs/dbraw/zinc/39/75/49/1067397549.db2.gz YUHUAPLOOPWGHH-VABKMULXSA-N 0 0 490.670 3.284 20 0 JGADRN Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C(=O)NCCCOC(C)C)CC2)cn1 ZINC001304358728 1067397737 /nfs/dbraw/zinc/39/77/37/1067397737.db2.gz QIQBHNBIBUFQHN-QHCPKHFHSA-N 0 0 484.645 3.419 20 0 JGADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c(=O)n1C ZINC001304359366 1067398387 /nfs/dbraw/zinc/39/83/87/1067398387.db2.gz JZRPOVMQHWLZSF-UHFFFAOYSA-N 0 0 472.634 3.416 20 0 JGADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCCN(C(=O)c3cccc(F)c3)CC2)c(=O)n1C ZINC001304359312 1067398445 /nfs/dbraw/zinc/39/84/45/1067398445.db2.gz WWZGPFPWGZKPEP-UHFFFAOYSA-N 0 0 480.588 3.024 20 0 JGADRN CSCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001302810186 1067398647 /nfs/dbraw/zinc/39/86/47/1067398647.db2.gz TYBRDMSQDQSJAG-UHFFFAOYSA-N 0 0 472.594 3.361 20 0 JGADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c(OCC(F)(F)F)c1 ZINC001304359599 1067398626 /nfs/dbraw/zinc/39/86/26/1067398626.db2.gz ZYVFXMLYCQNMHD-QGZVFWFLSA-N 0 0 474.549 3.398 20 0 JGADRN Cc1ccc(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)c(=O)n1C ZINC001304361396 1067399526 /nfs/dbraw/zinc/39/95/26/1067399526.db2.gz AOTZEAJCLYMPTK-XMMPIXPASA-N 0 0 490.652 3.250 20 0 JGADRN CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Br)cc2C1 ZINC001302812101 1067399695 /nfs/dbraw/zinc/39/96/95/1067399695.db2.gz BKUXWWUXIIRVEW-HNNXBMFYSA-N 0 0 485.473 3.259 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(F)c1 ZINC001304361894 1067400201 /nfs/dbraw/zinc/40/02/01/1067400201.db2.gz GLBGMJIDZKSLPF-GOSISDBHSA-N 0 0 486.592 3.342 20 0 JGADRN CSCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001302812995 1067400332 /nfs/dbraw/zinc/40/03/32/1067400332.db2.gz DLUUFXBVENQVHQ-MRXNPFEDSA-N 0 0 469.615 3.040 20 0 JGADRN Cc1ccc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCOC[C@H]2C)c(=O)n1C ZINC001304362773 1067400530 /nfs/dbraw/zinc/40/05/30/1067400530.db2.gz KVTDBUJPIBITJB-OAHLLOKOSA-N 0 0 478.380 3.444 20 0 JGADRN Cc1ccc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCOC[C@@H]2C)c(=O)n1C ZINC001304362772 1067400545 /nfs/dbraw/zinc/40/05/45/1067400545.db2.gz KVTDBUJPIBITJB-HNNXBMFYSA-N 0 0 478.380 3.444 20 0 JGADRN Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCC(S(C)(=O)=O)CC2)s1 ZINC001304362959 1067401103 /nfs/dbraw/zinc/40/11/03/1067401103.db2.gz QMYFZMPAMQFIMB-UHFFFAOYSA-N 0 0 464.588 3.428 20 0 JGADRN Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cn1 ZINC001304362926 1067401165 /nfs/dbraw/zinc/40/11/65/1067401165.db2.gz PLHAQKKTMSWYJY-OAQYLSRUSA-N 0 0 473.574 3.151 20 0 JGADRN CSCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001302814298 1067401430 /nfs/dbraw/zinc/40/14/30/1067401430.db2.gz QTKIROYLOABVJH-NRFANRHFSA-N 0 0 478.707 3.186 20 0 JGADRN CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001302814739 1067401893 /nfs/dbraw/zinc/40/18/93/1067401893.db2.gz VGGPGUNNHWQCIZ-UYAOXDASSA-N 0 0 482.647 3.258 20 0 JGADRN Cn1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)c2ccccc21 ZINC001304363563 1067401994 /nfs/dbraw/zinc/40/19/94/1067401994.db2.gz FZWAWXGKIXFUBQ-SFHVURJKSA-N 0 0 459.287 3.096 20 0 JGADRN CSCCCn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001302815405 1067402223 /nfs/dbraw/zinc/40/22/23/1067402223.db2.gz PYCBKEJIFMNNMC-UHFFFAOYSA-N 0 0 450.612 3.370 20 0 JGADRN CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001302815632 1067402263 /nfs/dbraw/zinc/40/22/63/1067402263.db2.gz XQXARIHSKXGQDF-UHFFFAOYSA-N 0 0 461.538 3.456 20 0 JGADRN Cc1cn2c(n1)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)ccc1F)CCC2 ZINC001304364170 1067402993 /nfs/dbraw/zinc/40/29/93/1067402993.db2.gz DZFAXTKNDKCATO-ZWKOTPCHSA-N 0 0 489.621 3.055 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc(C(=O)N3CCCC3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001304364944 1067403245 /nfs/dbraw/zinc/40/32/45/1067403245.db2.gz JLVCAYSJZFWSAD-UHFFFAOYSA-N 0 0 460.554 3.123 20 0 JGADRN COCCOCCOc1ccc(NC(=O)Cc2c(C)cc(C)[nH]c2=O)cc1Br ZINC001304365079 1067403853 /nfs/dbraw/zinc/40/38/53/1067403853.db2.gz ZQGBBPJHGFWTJZ-UHFFFAOYSA-N 0 0 453.333 3.390 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)COCCO2)c1 ZINC001304365004 1067403890 /nfs/dbraw/zinc/40/38/90/1067403890.db2.gz LREREOAJSIHGOQ-BJKOFHAPSA-N 0 0 462.566 3.208 20 0 JGADRN Cc1ccc(CSCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC001304366038 1067405169 /nfs/dbraw/zinc/40/51/69/1067405169.db2.gz CIAGAUSMMBVBIN-DLBZAZTESA-N 0 0 469.533 3.239 20 0 JGADRN O=C([C@H]1CCOc2ccc(Br)cc21)N1CC(c2ncc(Br)cn2)C1 ZINC001302818466 1067406111 /nfs/dbraw/zinc/40/61/11/1067406111.db2.gz SJTZIRIQGRFGFV-ZDUSSCGKSA-N 0 0 453.134 3.494 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(CC(C)C)n3CC3([S@](C)=O)CC3)CC2)cc1F ZINC001304367092 1067406746 /nfs/dbraw/zinc/40/67/46/1067406746.db2.gz NZANWHSQAYYPAH-UMSFTDKQSA-N 0 0 489.661 3.368 20 0 JGADRN Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCSCc1ccc(C)cc1 ZINC001304367198 1067407036 /nfs/dbraw/zinc/40/70/36/1067407036.db2.gz PJKHIKGAQSDCDG-SZPZYZBQSA-N 0 0 484.714 3.455 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)C)n3C[C@@H]3NC(=O)CC3(C)C)CC2)cc1F ZINC001304367321 1067407043 /nfs/dbraw/zinc/40/70/43/1067407043.db2.gz MPUQPPZTXAIJRO-NRFANRHFSA-N 0 0 484.620 3.297 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)C)n3CCCO[C@@H]3CCOC3)CC2)cc1 ZINC001304367431 1067407465 /nfs/dbraw/zinc/40/74/65/1067407465.db2.gz OVUICXPNHLSUPB-HSZRJFAPSA-N 0 0 469.630 3.438 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)(C)C)n3CCCc3cnn(C)n3)CC2)cc1 ZINC001304368484 1067408411 /nfs/dbraw/zinc/40/84/11/1067408411.db2.gz YNDARVGBBHVUNG-UHFFFAOYSA-N 0 0 478.645 3.178 20 0 JGADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)[C@@H]2C[C@@H]21 ZINC001304368678 1067408735 /nfs/dbraw/zinc/40/87/35/1067408735.db2.gz BVDXEOLBPAISHB-KGLIPLIRSA-N 0 0 459.421 3.337 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001304368574 1067408776 /nfs/dbraw/zinc/40/87/76/1067408776.db2.gz OMIMWPVRPITJBG-HKUYNNGSSA-N 0 0 492.646 3.364 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)c1 ZINC001304369364 1067409258 /nfs/dbraw/zinc/40/92/58/1067409258.db2.gz PPNJQSCAXDPJPR-IBGZPJMESA-N 0 0 475.565 3.195 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)cc1 ZINC001304370824 1067409789 /nfs/dbraw/zinc/40/97/89/1067409789.db2.gz BVPJOUBXWZFRHX-WOJBJXKFSA-N 0 0 476.643 3.213 20 0 JGADRN Cc1ccc(N(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)N2CCOCC2)cc1 ZINC001304371032 1067409807 /nfs/dbraw/zinc/40/98/07/1067409807.db2.gz RZNIRCPYTXVWHL-UHFFFAOYSA-N 0 0 498.628 3.328 20 0 JGADRN Cc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C)cc3)CC2)s1 ZINC001304371960 1067410181 /nfs/dbraw/zinc/41/01/81/1067410181.db2.gz SOVFWRTXBHGKBW-UHFFFAOYSA-N 0 0 453.616 3.173 20 0 JGADRN O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC001302822491 1067411504 /nfs/dbraw/zinc/41/15/04/1067411504.db2.gz LCKYCAYNCDLXNE-LJQANCHMSA-N 0 0 456.589 3.442 20 0 JGADRN 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RTHDIJMUUHPASR-XIFFEERXSA-N 0 0 463.611 3.389 20 0 JGADRN Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCCC3)C2)n1 ZINC001304482837 1067562375 /nfs/dbraw/zinc/56/23/75/1067562375.db2.gz RDXFFXTYKXPSTL-IBGZPJMESA-N 0 0 460.648 3.385 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2nccs2)n1 ZINC001304483021 1067562439 /nfs/dbraw/zinc/56/24/39/1067562439.db2.gz CTFMFPYVHISPIN-INIZCTEOSA-N 0 0 455.588 3.451 20 0 JGADRN C[C@@H]1CC[C@H](O)CN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)O ZINC001303008158 1067562952 /nfs/dbraw/zinc/56/29/52/1067562952.db2.gz KMUFRRDOLNLKLY-SAHWJRBASA-N 0 0 452.551 3.036 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCNC(=O)Cc2cccc(F)c2)n1 ZINC001304483706 1067563004 /nfs/dbraw/zinc/56/30/04/1067563004.db2.gz BTHXWGMBXUXQOY-QFIPXVFZSA-N 0 0 466.561 3.008 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303008346 1067562976 /nfs/dbraw/zinc/56/29/76/1067562976.db2.gz MICUBNOREXNHLM-DFBJGRDBSA-N 0 0 450.587 3.382 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCCN(c2nccs2)CC1 ZINC001303008605 1067563255 /nfs/dbraw/zinc/56/32/55/1067563255.db2.gz GCDZTESQFJECIZ-QFIPXVFZSA-N 0 0 456.620 3.096 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001303008578 1067563303 /nfs/dbraw/zinc/56/33/03/1067563303.db2.gz FSRLXKUYTMLCHU-GAJHUEQPSA-N 0 0 459.595 3.026 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001303008632 1067563384 /nfs/dbraw/zinc/56/33/84/1067563384.db2.gz GIIQIVZKXYCNFX-HOYKHHGWSA-N 0 0 475.638 3.311 20 0 JGADRN Cc1cccc(CCCn2c(Cc3ccccn3)nnc2N(C)CCN2CCOC(C)(C)C2)n1 ZINC001304485388 1067564171 /nfs/dbraw/zinc/56/41/71/1067564171.db2.gz DLSFOWVVYDLGGT-UHFFFAOYSA-N 0 0 463.630 3.147 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cccc(C)n3)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001304484894 1067564319 /nfs/dbraw/zinc/56/43/19/1067564319.db2.gz LNXDRHFDDZBNOX-SJORKVTESA-N 0 0 492.696 3.327 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2CCC(=O)Nc2ccccc2)n1 ZINC001304485258 1067564327 /nfs/dbraw/zinc/56/43/27/1067564327.db2.gz ZIESDVICTAZBIC-NRFANRHFSA-N 0 0 464.570 3.308 20 0 JGADRN Cc1cccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CC(=O)NCCc2ccccc2)n1 ZINC001304486234 1067565004 /nfs/dbraw/zinc/56/50/04/1067565004.db2.gz VCFRFNFDZXGZCK-RTBURBONSA-N 0 0 450.612 3.338 20 0 JGADRN Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCCOC[C@@H]3CCCO3)C2)c1 ZINC001304486999 1067565184 /nfs/dbraw/zinc/56/51/84/1067565184.db2.gz KAISDLJRURMJJM-YADHBBJMSA-N 0 0 455.603 3.304 20 0 JGADRN Cc1cccc(CCCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC001304486696 1067565234 /nfs/dbraw/zinc/56/52/34/1067565234.db2.gz NWSLLUREGJULFQ-OAQYLSRUSA-N 0 0 474.030 3.482 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCNC(=O)c2ccc(C)c(F)c2)n1 ZINC001304487204 1067565624 /nfs/dbraw/zinc/56/56/24/1067565624.db2.gz QLZNJACYCVIDDK-IBGZPJMESA-N 0 0 492.477 3.294 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001303010996 1067565753 /nfs/dbraw/zinc/56/57/53/1067565753.db2.gz POVFFXDIGYWPKR-DEOSSOPVSA-N 0 0 488.658 3.085 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001303011025 1067565853 /nfs/dbraw/zinc/56/58/53/1067565853.db2.gz QBOVRHMGZGXFIR-KOSHJBKYSA-N 0 0 457.623 3.053 20 0 JGADRN Cc1cccc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccccc2F)n1 ZINC001304487291 1067566034 /nfs/dbraw/zinc/56/60/34/1067566034.db2.gz WLMKNKHBAXJGOH-LJQANCHMSA-N 0 0 487.601 3.171 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001303011200 1067566143 /nfs/dbraw/zinc/56/61/43/1067566143.db2.gz QSNSKFFNDPIEJC-XMMPIXPASA-N 0 0 470.643 3.495 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001303012144 1067566769 /nfs/dbraw/zinc/56/67/69/1067566769.db2.gz AESRUCDIEZFSMX-JPYJTQIMSA-N 0 0 491.662 3.066 20 0 JGADRN Cc1cccc(CC2(O)CCN(c3nnc(C(=O)N4CCCC4)n3CCCOCC(F)F)CC2)c1 ZINC001304488783 1067566970 /nfs/dbraw/zinc/56/69/70/1067566970.db2.gz ZGOIIPCRBFYINO-UHFFFAOYSA-N 0 0 491.583 3.068 20 0 JGADRN Cc1cccc(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)n1 ZINC001304488954 1067566999 /nfs/dbraw/zinc/56/69/99/1067566999.db2.gz SYERJQATWQGAKI-RUZDIDTESA-N 0 0 454.619 3.378 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001303012684 1067567344 /nfs/dbraw/zinc/56/73/44/1067567344.db2.gz DKKOADOCVGPBBH-MVOHMCPASA-N 0 0 477.650 3.272 20 0 JGADRN Cc1cccc(CCCn2c(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)nnc2C(C)(C)C)n1 ZINC001304489211 1067567769 /nfs/dbraw/zinc/56/77/69/1067567769.db2.gz YORNEMLGRIVRGU-MRXNPFEDSA-N 0 0 452.525 3.417 20 0 JGADRN Cc1cccc(CCCn2c(N3CC[C@H](C(=O)NCC(F)(F)F)C3)nnc2C(C)(C)C)n1 ZINC001304489210 1067567789 /nfs/dbraw/zinc/56/77/89/1067567789.db2.gz YORNEMLGRIVRGU-INIZCTEOSA-N 0 0 452.525 3.417 20 0 JGADRN NC(=O)C1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](C(F)F)C2)CCOCC1 ZINC001303013462 1067567909 /nfs/dbraw/zinc/56/79/09/1067567909.db2.gz QMPJCWGJLPTCLZ-HNNXBMFYSA-N 0 0 485.482 3.310 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001303013290 1067567946 /nfs/dbraw/zinc/56/79/46/1067567946.db2.gz JOMOXNCRQSIGKV-GJZUVCINSA-N 0 0 468.646 3.081 20 0 JGADRN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC001304489486 1067568071 /nfs/dbraw/zinc/56/80/71/1067568071.db2.gz GBFGZGQSHVUZEZ-UHFFFAOYSA-N 0 0 466.630 3.196 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC001303013670 1067568255 /nfs/dbraw/zinc/56/82/55/1067568255.db2.gz KUYAOYLMOACPEL-UQBPGWFLSA-N 0 0 483.665 3.207 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(S(C)(=O)=O)CC2)n1 ZINC001304490040 1067568298 /nfs/dbraw/zinc/56/82/98/1067568298.db2.gz JTCHQWMJOGQCQD-OAQYLSRUSA-N 0 0 498.653 3.063 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC001304490110 1067568374 /nfs/dbraw/zinc/56/83/74/1067568374.db2.gz KTBBKRDRIPSNPU-ZJOUEHCJSA-N 0 0 468.627 3.217 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(OC3CCCC3)CC2)c1 ZINC001304490451 1067568696 /nfs/dbraw/zinc/56/86/96/1067568696.db2.gz MGRQNTVCBBSTFB-LJQANCHMSA-N 0 0 475.659 3.367 20 0 JGADRN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC001304490461 1067568705 /nfs/dbraw/zinc/56/87/05/1067568705.db2.gz MHJMFDATAWPJHG-RTBURBONSA-N 0 0 485.633 3.102 20 0 JGADRN Cc1cccc(CCn2c(C3CCC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001304490818 1067568898 /nfs/dbraw/zinc/56/88/98/1067568898.db2.gz FYVDVSWQBUFIQF-FQEVSTJZSA-N 0 0 456.591 3.222 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2cccs2)n1 ZINC001304491031 1067568905 /nfs/dbraw/zinc/56/89/05/1067568905.db2.gz QMZPKFXVIKBTHA-AEFFLSMTSA-N 0 0 460.629 3.237 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2cccs2)n1 ZINC001304491039 1067568909 /nfs/dbraw/zinc/56/89/09/1067568909.db2.gz QMZPKFXVIKBTHA-WMZOPIPTSA-N 0 0 460.629 3.237 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2cccs2)n1 ZINC001304491036 1067568974 /nfs/dbraw/zinc/56/89/74/1067568974.db2.gz QMZPKFXVIKBTHA-SJLPKXTDSA-N 0 0 460.629 3.237 20 0 JGADRN Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@H](C)[C@H](C)C2)n1 ZINC001304491131 1067569139 /nfs/dbraw/zinc/56/91/39/1067569139.db2.gz QCMIXMXYFPFFBF-HDICACEKSA-N 0 0 468.627 3.234 20 0 JGADRN Cc1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001304491295 1067569173 /nfs/dbraw/zinc/56/91/73/1067569173.db2.gz JMLJWQXNBQITHT-UXHICEINSA-N 0 0 468.602 3.274 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001303014752 1067569172 /nfs/dbraw/zinc/56/91/72/1067569172.db2.gz ONMSHMSQWFGBGE-YYDVJCTNSA-N 0 0 470.680 3.151 20 0 JGADRN Cc1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001304491281 1067569240 /nfs/dbraw/zinc/56/92/40/1067569240.db2.gz JGXKUXVFXOSHBO-IHPCNDPISA-N 0 0 468.602 3.130 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cccc(C)n1 ZINC001304491664 1067569443 /nfs/dbraw/zinc/56/94/43/1067569443.db2.gz UPIDMDPZJVBYIR-UHFFFAOYSA-N 0 0 493.637 3.281 20 0 JGADRN Cc1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)n1 ZINC001304491743 1067569450 /nfs/dbraw/zinc/56/94/50/1067569450.db2.gz MSPXGODVJHJSHZ-LJQANCHMSA-N 0 0 456.497 3.413 20 0 JGADRN Cc1cccc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2ccon2)n1 ZINC001304491793 1067569498 /nfs/dbraw/zinc/56/94/98/1067569498.db2.gz UVBKRWJLWJCSHG-UHFFFAOYSA-N 0 0 465.945 3.432 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001303015525 1067569666 /nfs/dbraw/zinc/56/96/66/1067569666.db2.gz HRRBZBJIIMZEIZ-ATIYNZHBSA-N 0 0 453.631 3.452 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001303015475 1067569722 /nfs/dbraw/zinc/56/97/22/1067569722.db2.gz SEYFMVFXUZMBTL-JLGINSKQSA-N 0 0 494.633 3.084 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001303015762 1067570061 /nfs/dbraw/zinc/57/00/61/1067570061.db2.gz IYWRYHFGYPMUQJ-VWLOTQADSA-N 0 0 453.631 3.357 20 0 JGADRN Cc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C(C)C)C2)c1 ZINC001304492943 1067570047 /nfs/dbraw/zinc/57/00/47/1067570047.db2.gz FACJVVCDWDZFFN-FCHUYYIVSA-N 0 0 475.659 3.035 20 0 JGADRN Cc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)c2cccs2)c1 ZINC001304492906 1067570064 /nfs/dbraw/zinc/57/00/64/1067570064.db2.gz DRVVZBMHAPEKCN-ICSRJNTNSA-N 0 0 489.667 3.421 20 0 JGADRN Cc1cccc(CCn2c(Cc3ccccc3C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1 ZINC001304492677 1067570137 /nfs/dbraw/zinc/57/01/37/1067570137.db2.gz CVEYXNUVCVZKRE-JOCHJYFZSA-N 0 0 496.681 3.231 20 0 JGADRN Cc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)CC2COC(C)(C)OC2)n1 ZINC001304493305 1067570383 /nfs/dbraw/zinc/57/03/83/1067570383.db2.gz CXRAADKXHIXZQL-UHFFFAOYSA-N 0 0 484.626 3.051 20 0 JGADRN Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCCc2ccccc2)n1 ZINC001304493162 1067570401 /nfs/dbraw/zinc/57/04/01/1067570401.db2.gz HYIYEFCMXDAMBH-OAQYLSRUSA-N 0 0 453.612 3.195 20 0 JGADRN Cc1cccc(CCn2c(CC(C)(C)C)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC001304493163 1067570420 /nfs/dbraw/zinc/57/04/20/1067570420.db2.gz ICNJIKSYACAMNY-RUZDIDTESA-N 0 0 452.603 3.232 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001303016962 1067570528 /nfs/dbraw/zinc/57/05/28/1067570528.db2.gz PRXPDLJGGSYEMQ-RUZDIDTESA-N 0 0 456.635 3.146 20 0 JGADRN Cc1cccc(CCn2c(Cc3ccncc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)n1 ZINC001304493405 1067570714 /nfs/dbraw/zinc/57/07/14/1067570714.db2.gz NPJQKIPYYJCLFF-UHFFFAOYSA-N 0 0 461.614 3.293 20 0 JGADRN Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c1 ZINC001304493657 1067570730 /nfs/dbraw/zinc/57/07/30/1067570730.db2.gz KAZPXWOYYZIOFX-HYBUGGRVSA-N 0 0 460.644 3.373 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001303017376 1067570776 /nfs/dbraw/zinc/57/07/76/1067570776.db2.gz RLQDGVBZZOHSQY-BKMJKUGQSA-N 0 0 478.645 3.346 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001303017021 1067570789 /nfs/dbraw/zinc/57/07/89/1067570789.db2.gz QBSBQVHLJXQZFN-IKVMQTKTSA-N 0 0 457.619 3.224 20 0 JGADRN Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)n1 ZINC001304494286 1067570978 /nfs/dbraw/zinc/57/09/78/1067570978.db2.gz PEVMOIKHANHWBA-PKOBYXMFSA-N 0 0 457.575 3.463 20 0 JGADRN Cc1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccc(F)cc2)n1 ZINC001304494285 1067571001 /nfs/dbraw/zinc/57/10/01/1067571001.db2.gz PEVMOIKHANHWBA-MJGOQNOKSA-N 0 0 457.575 3.463 20 0 JGADRN 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O=C(c1ccc(Cl)cc1)N1CCN(c2nnc(-c3ccccn3)n2CCOCC(F)F)CC1 ZINC001303052619 1067592340 /nfs/dbraw/zinc/59/23/40/1067592340.db2.gz HXIKAOWAXPULPR-UHFFFAOYSA-N 0 0 476.915 3.238 20 0 JGADRN O=C(c1ccc(O)cc1)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOCC(F)F)CC1 ZINC001303052558 1067592345 /nfs/dbraw/zinc/59/23/45/1067592345.db2.gz FCVMMGHHOBAPHT-SFHVURJKSA-N 0 0 464.513 3.259 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCS(=O)(=O)NC(C)C)c1 ZINC001304516591 1067592522 /nfs/dbraw/zinc/59/25/22/1067592522.db2.gz XUPVNLIQYSRZCN-HXUWFJFHSA-N 0 0 481.688 3.071 20 0 JGADRN Cc1cccc2c1CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@H]1C)C2 ZINC001304516826 1067592848 /nfs/dbraw/zinc/59/28/48/1067592848.db2.gz OCYJEKIGQQXKQL-XQBPLPMBSA-N 0 0 475.659 3.355 20 0 JGADRN Cc1cccc2c1CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@H]1C)C2 ZINC001304516824 1067592893 /nfs/dbraw/zinc/59/28/93/1067592893.db2.gz OCYJEKIGQQXKQL-DXIQSLLYSA-N 0 0 475.659 3.355 20 0 JGADRN 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OTJQRSDUHZWMGJ-AYOQOUSVSA-N 0 0 492.646 3.413 20 0 JGADRN Cc1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCCCC2)s1 ZINC001304693777 1067766923 /nfs/dbraw/zinc/76/69/23/1067766923.db2.gz NNSIDTJEGNBBMI-UHFFFAOYSA-N 0 0 460.629 3.366 20 0 JGADRN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3Cc4cc(Br)cnc4NC3=O)cc2F)n1 ZINC001304694221 1067766991 /nfs/dbraw/zinc/76/69/91/1067766991.db2.gz KTPYGSNPRWTPHJ-MRXNPFEDSA-N 0 0 458.291 3.079 20 0 JGADRN CC(C)COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001303234783 1067766988 /nfs/dbraw/zinc/76/69/88/1067766988.db2.gz GUTIEUCTVYPVHI-AZUAARDMSA-N 0 0 460.648 3.237 20 0 JGADRN CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001303235008 1067767351 /nfs/dbraw/zinc/76/73/51/1067767351.db2.gz GXXLXEWUGPQHCT-DOIPELPJSA-N 0 0 482.691 3.273 20 0 JGADRN Cc1ncc(CN(C)c2nnc([C@H]3COc4ccccc4O3)n2CCNC(=O)C(C)(C)C)s1 ZINC001304694642 1067767271 /nfs/dbraw/zinc/76/72/71/1067767271.db2.gz WZQWPELZUUGXMS-LJQANCHMSA-N 0 0 470.599 3.354 20 0 JGADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)s1 ZINC001304694644 1067767352 /nfs/dbraw/zinc/76/73/52/1067767352.db2.gz XAUYQIGFPAZXNX-MSOLQXFVSA-N 0 0 492.646 3.209 20 0 JGADRN Cc1ncc(CN(C)c2nnc([C@H]3CCOC3)n2CCCN(C)C(=O)OC(C)(C)C)s1 ZINC001304694819 1067767567 /nfs/dbraw/zinc/76/75/67/1067767567.db2.gz YZQKXKIZEFHVME-INIZCTEOSA-N 0 0 450.609 3.440 20 0 JGADRN Cc1ncc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC001304695441 1067767640 /nfs/dbraw/zinc/76/76/40/1067767640.db2.gz CBPLLJPGUPVUDM-RDJZCZTQSA-N 0 0 462.620 3.431 20 0 JGADRN CC(C)COCCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001303236225 1067768007 /nfs/dbraw/zinc/76/80/07/1067768007.db2.gz WDACIUWDKWASQE-UHFFFAOYSA-N 0 0 454.550 3.324 20 0 JGADRN Cc1ncc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001304698055 1067768485 /nfs/dbraw/zinc/76/84/85/1067768485.db2.gz LDLRCTZEJMYILU-UONOGXRCSA-N 0 0 463.654 3.492 20 0 JGADRN Cc1ncc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[C@@H](C)C2)s1 ZINC001304698032 1067768524 /nfs/dbraw/zinc/76/85/24/1067768524.db2.gz KSNUOQOUNODGSF-OAHLLOKOSA-N 0 0 460.629 3.245 20 0 JGADRN CC(C)(C)OC(=O)Nc1ccncc1C(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1 ZINC001304697702 1067768555 /nfs/dbraw/zinc/76/85/55/1067768555.db2.gz UKBRCCILPBHUFH-UHFFFAOYSA-N 0 0 458.519 3.091 20 0 JGADRN CC(C)COCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001303236891 1067768529 /nfs/dbraw/zinc/76/85/29/1067768529.db2.gz BRNANOCZOIGFJD-RTBURBONSA-N 0 0 451.612 3.338 20 0 JGADRN Cc1ncc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](c3ccccc3)C[C@H]2C)s1 ZINC001304698690 1067769097 /nfs/dbraw/zinc/76/90/97/1067769097.db2.gz SWVZRRDRNSKMBE-RVKKMQEKSA-N 0 0 460.629 3.084 20 0 JGADRN Cc1ncc(Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)s1 ZINC001304698742 1067769111 /nfs/dbraw/zinc/76/91/11/1067769111.db2.gz VMUKQPSDPAIHRP-MRXNPFEDSA-N 0 0 482.429 3.144 20 0 JGADRN CC(C)COCCCn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001303237697 1067769220 /nfs/dbraw/zinc/76/92/20/1067769220.db2.gz VFLYTEFOAGALSH-FQEVSTJZSA-N 0 0 468.664 3.173 20 0 JGADRN Cc1ncc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](c3ccccc3)C[C@H]2C)s1 ZINC001304698691 1067769165 /nfs/dbraw/zinc/76/91/65/1067769165.db2.gz SWVZRRDRNSKMBE-VKJFTORMSA-N 0 0 460.629 3.084 20 0 JGADRN Cc1ncc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccccc3Cl)CC2)s1 ZINC001304699545 1067769780 /nfs/dbraw/zinc/76/97/80/1067769780.db2.gz CIRHRLBLZZBHEL-UHFFFAOYSA-N 0 0 488.061 3.400 20 0 JGADRN Cc1ncc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C(F)(F)F)CC2)s1 ZINC001304699406 1067769801 /nfs/dbraw/zinc/76/98/01/1067769801.db2.gz APYQRDKHRSCLKF-UHFFFAOYSA-N 0 0 473.569 3.092 20 0 JGADRN Cc1ncc(CN2CCN(c3nnc(CCOc4ccccc4)n3CCC(C)(C)O)CC2)s1 ZINC001304699302 1067769965 /nfs/dbraw/zinc/76/99/65/1067769965.db2.gz DUDRWVUHXSTTMC-UHFFFAOYSA-N 0 0 470.643 3.148 20 0 JGADRN CC(C)CSCCCn1c(C(=O)NC(C)C)nnc1N1CCSC2(CCOCC2)C1 ZINC001303240843 1067770170 /nfs/dbraw/zinc/77/01/70/1067770170.db2.gz AFHAZMIMVADCAM-UHFFFAOYSA-N 0 0 455.694 3.298 20 0 JGADRN Cc1ncc(CN2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(=O)NC(C)C)CC2)s1 ZINC001304699601 1067770149 /nfs/dbraw/zinc/77/01/49/1067770149.db2.gz INOQALDIDBLVCA-UHFFFAOYSA-N 0 0 474.034 3.210 20 0 JGADRN Cc1ncc(CN2CCN(c3nnc(Cc4cccnc4)n3CCOC(C)(C)C)CC2)s1 ZINC001304699642 1067770332 /nfs/dbraw/zinc/77/03/32/1067770332.db2.gz JKYYNJBXSGGZPB-UHFFFAOYSA-N 0 0 455.632 3.166 20 0 JGADRN CC(C)CSCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001303241754 1067770791 /nfs/dbraw/zinc/77/07/91/1067770791.db2.gz QPDDWEIVCPUCGB-SFHVURJKSA-N 0 0 453.616 3.222 20 0 JGADRN CC(C)CSCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001303241499 1067770901 /nfs/dbraw/zinc/77/09/01/1067770901.db2.gz KMBWGLGDUDPVBM-MRXNPFEDSA-N 0 0 450.996 3.414 20 0 JGADRN CC(C)CSCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001303242698 1067771235 /nfs/dbraw/zinc/77/12/35/1067771235.db2.gz YXMHWMIQQRAQGD-LJQANCHMSA-N 0 0 464.680 3.034 20 0 JGADRN Cc1ncc(CN2CCN(c3nnc(-c4cccc(Cl)c4)n3CCOCCCO)CC2)s1 ZINC001304700503 1067771342 /nfs/dbraw/zinc/77/13/42/1067771342.db2.gz SUFZCCYVEAFUSS-UHFFFAOYSA-N 0 0 477.034 3.085 20 0 JGADRN Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3CC(=O)N(C)C3CCCCC3)CC2)s1 ZINC001304700686 1067771396 /nfs/dbraw/zinc/77/13/96/1067771396.db2.gz UOEBZUXJBZEONL-UHFFFAOYSA-N 0 0 473.691 3.355 20 0 JGADRN CC(C)CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001303243601 1067771809 /nfs/dbraw/zinc/77/18/09/1067771809.db2.gz NVPRMGYWIRYQSL-ROUUACIJSA-N 0 0 458.694 3.211 20 0 JGADRN CC(C)CSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001303244052 1067772029 /nfs/dbraw/zinc/77/20/29/1067772029.db2.gz FEQSUPCHCJJUSY-HDICACEKSA-N 0 0 481.688 3.198 20 0 JGADRN CC(C)CSCCn1c(-c2ccccc2Br)nnc1N(C)CC(=O)N1CCOCC1 ZINC001303244153 1067772427 /nfs/dbraw/zinc/77/24/27/1067772427.db2.gz GGLMSLUNNZUILA-UHFFFAOYSA-N 0 0 496.475 3.392 20 0 JGADRN Cc1nccc(N2CCN(c3nnc(CC(C)C)n3CC3=CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 ZINC001304701747 1067772575 /nfs/dbraw/zinc/77/25/75/1067772575.db2.gz KLQWXVSCWXWXGA-UHFFFAOYSA-N 0 0 496.660 3.469 20 0 JGADRN Cc1nccc(N2CCN(c3nnc(-c4cccc(Br)c4)n3CCCCCO)CC2)n1 ZINC001304701879 1067773125 /nfs/dbraw/zinc/77/31/25/1067773125.db2.gz LNPXLDJTYWHAPS-UHFFFAOYSA-N 0 0 486.418 3.295 20 0 JGADRN Cc1nccn1-c1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC(N)=O)cn1 ZINC001304701822 1067773140 /nfs/dbraw/zinc/77/31/40/1067773140.db2.gz ORONXINJZAYZOT-MRXNPFEDSA-N 0 0 478.988 3.160 20 0 JGADRN Cc1nccc(N2CCN(c3nnc(CNC(=O)c4cccs4)n3CC(C)(C)C(C)C)CC2)n1 ZINC001304701774 1067773209 /nfs/dbraw/zinc/77/32/09/1067773209.db2.gz LHIUQRKCMDKMJP-UHFFFAOYSA-N 0 0 482.658 3.377 20 0 JGADRN CC(C)CSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001303245606 1067773451 /nfs/dbraw/zinc/77/34/51/1067773451.db2.gz FLGTXYIOCFPFAX-UHFFFAOYSA-N 0 0 485.702 3.254 20 0 JGADRN CC(C)CSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001303245378 1067773495 /nfs/dbraw/zinc/77/34/95/1067773495.db2.gz VDLKQOALNSSEBT-KRWDZBQOSA-N 0 0 453.616 3.391 20 0 JGADRN CC(C)CSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001303245903 1067773686 /nfs/dbraw/zinc/77/36/86/1067773686.db2.gz KDHZSQFSCGAGGJ-QGZVFWFLSA-N 0 0 461.657 3.449 20 0 JGADRN CC(C)CSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001303246170 1067773693 /nfs/dbraw/zinc/77/36/93/1067773693.db2.gz MKSPPWBLJPNYDL-QHCPKHFHSA-N 0 0 453.616 3.222 20 0 JGADRN CC(C)CSCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001303247802 1067774793 /nfs/dbraw/zinc/77/47/93/1067774793.db2.gz NKISFVKBFQZFFG-UHFFFAOYSA-N 0 0 476.691 3.161 20 0 JGADRN CC(C)CSCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303247933 1067774972 /nfs/dbraw/zinc/77/49/72/1067774972.db2.gz RABGZONLAWDCSB-YOSAUDMPSA-N 0 0 479.691 3.345 20 0 JGADRN CC(C)CSCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303247931 1067774980 /nfs/dbraw/zinc/77/49/80/1067774980.db2.gz RABGZONLAWDCSB-NMMYMHLASA-N 0 0 479.691 3.345 20 0 JGADRN Cc1nccn1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001304703133 1067775318 /nfs/dbraw/zinc/77/53/18/1067775318.db2.gz LYMBDSZIQXJZPS-HXUWFJFHSA-N 0 0 453.566 3.085 20 0 JGADRN Cc1nccn1CCCCn1c(C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001304703073 1067775369 /nfs/dbraw/zinc/77/53/69/1067775369.db2.gz BTBAXPDWNXWJGJ-UHFFFAOYSA-N 0 0 459.957 3.327 20 0 JGADRN CC(C)CSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001303249802 1067776084 /nfs/dbraw/zinc/77/60/84/1067776084.db2.gz JVRMISGLOMMVRQ-IXFSTUDKSA-N 0 0 493.699 3.432 20 0 JGADRN Cc1nccn1CCCCn1c([C@@H]2CCCCO2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001304704028 1067776308 /nfs/dbraw/zinc/77/63/08/1067776308.db2.gz WRAKJFZFDYOVKM-VWPQPMDRSA-N 0 0 459.639 3.050 20 0 JGADRN CC(C)CSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001303250087 1067776438 /nfs/dbraw/zinc/77/64/38/1067776438.db2.gz 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/nfs/dbraw/zinc/94/62/98/1067946298.db2.gz ZCDNJVIVJCEIOU-YESZJQIVSA-N 0 0 466.652 3.004 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCCCNC(=O)OC(C)(C)C ZINC001303420091 1067946331 /nfs/dbraw/zinc/94/63/31/1067946331.db2.gz INFBQBDFNYBHKT-JKSUJKDBSA-N 0 0 454.641 3.051 20 0 JGADRN C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)cn2C)n1CCC[C@H]1CCCCO1 ZINC001304902391 1067946391 /nfs/dbraw/zinc/94/63/91/1067946391.db2.gz ANCKGQZZVCBBKV-DOTOQJQBSA-N 0 0 479.423 3.062 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCC(F)(F)F ZINC001303420911 1067946497 /nfs/dbraw/zinc/94/64/97/1067946497.db2.gz KBZWVGSDCRAKPZ-JKSUJKDBSA-N 0 0 488.555 3.498 20 0 JGADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCCC1(C)C ZINC001304902584 1067946768 /nfs/dbraw/zinc/94/67/68/1067946768.db2.gz FPKOOZCATCBUOK-IVZQSRNASA-N 0 0 476.419 3.316 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccccc1-n1ccnc1 ZINC001303421101 1067946879 /nfs/dbraw/zinc/94/68/79/1067946879.db2.gz NHTNVHMJRWSSCN-CALCHBBNSA-N 0 0 457.529 3.378 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001303421004 1067946927 /nfs/dbraw/zinc/94/69/27/1067946927.db2.gz OSRDDLCOGSCNOB-AZUAARDMSA-N 0 0 470.643 3.047 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CC1CCN(CC(F)(F)F)CC1 ZINC001303421126 1067946936 /nfs/dbraw/zinc/94/69/36/1067946936.db2.gz OGVIDLSLMSNACZ-UTKZUKDTSA-N 0 0 456.557 3.460 20 0 JGADRN C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Br)cc2)n1CCCOC(F)F ZINC001304902742 1067947007 /nfs/dbraw/zinc/94/70/07/1067947007.db2.gz IZGBLSNCSIOXGY-LBPRGKRZSA-N 0 0 458.307 3.004 20 0 JGADRN Cc1nsc(N2CCCN(c3nnc(Cc4ccccn4)n3CCSCC(F)(F)F)CC2)n1 ZINC001304903181 1067947692 /nfs/dbraw/zinc/94/76/92/1067947692.db2.gz NUHNDWKAFHHWQZ-UHFFFAOYSA-N 0 0 498.604 3.436 20 0 JGADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(C2(c3ccccc3)CCC2)n1CC(F)(F)Br ZINC001304903096 1067947723 /nfs/dbraw/zinc/94/77/23/1067947723.db2.gz MMHFNJGNWJGVSO-CQSZACIVSA-N 0 0 468.346 3.403 20 0 JGADRN CCc1nc(COc2ccc(C(=O)Nc3ccccc3C(=O)N3CCC[C@H](O)C3)cc2)no1 ZINC001303422326 1067947920 /nfs/dbraw/zinc/94/79/20/1067947920.db2.gz ZEEVMNJRNQSXRU-KRWDZBQOSA-N 0 0 450.495 3.060 20 0 JGADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCN(C)CC(F)(F)F ZINC001304903520 1067948053 /nfs/dbraw/zinc/94/80/53/1067948053.db2.gz IMCJARMPTMSIBQ-CYBMUJFWSA-N 0 0 476.906 3.289 20 0 JGADRN CC(C)NC(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccccn2)CC1 ZINC001303422789 1067948203 /nfs/dbraw/zinc/94/82/03/1067948203.db2.gz GFLKILNGUWTWCI-LJQANCHMSA-N 0 0 481.576 3.194 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001303422953 1067948331 /nfs/dbraw/zinc/94/83/31/1067948331.db2.gz HWHXKYLZAKYXRW-INIZCTEOSA-N 0 0 467.412 3.202 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnccn1 ZINC001303422756 1067948337 /nfs/dbraw/zinc/94/83/37/1067948337.db2.gz FSYSHDGBVHJVLF-UHFFFAOYSA-N 0 0 458.364 3.049 20 0 JGADRN C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Br)s2)n1CCOc1ncccc1F ZINC001304903906 1067948394 /nfs/dbraw/zinc/94/83/94/1067948394.db2.gz SDGBCFVXJHSBRP-LBPRGKRZSA-N 0 0 495.378 3.049 20 0 JGADRN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCO2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001304903741 1067948421 /nfs/dbraw/zinc/94/84/21/1067948421.db2.gz BHMFYOVOOHPPKL-VQIMIIECSA-N 0 0 470.574 3.192 20 0 JGADRN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCO2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001304903757 1067948463 /nfs/dbraw/zinc/94/84/63/1067948463.db2.gz BPIUAZPDRUUJFR-KBRIMQKVSA-N 0 0 455.456 3.418 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001303423322 1067948638 /nfs/dbraw/zinc/94/86/38/1067948638.db2.gz MIYHSEOVAJDRJV-OAHLLOKOSA-N 0 0 486.926 3.018 20 0 JGADRN Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001303423700 1067948641 /nfs/dbraw/zinc/94/86/41/1067948641.db2.gz GUUCNMMMEZFWKZ-UHFFFAOYSA-N 0 0 459.549 3.004 20 0 JGADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1CCCOC1CCCCC1 ZINC001304904647 1067949128 /nfs/dbraw/zinc/94/91/28/1067949128.db2.gz FJBFTSFKQYXFMM-GOSISDBHSA-N 0 0 459.566 3.403 20 0 JGADRN CC(C)NC(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303424721 1067949224 /nfs/dbraw/zinc/94/92/24/1067949224.db2.gz YTZHWNVTGOIZIY-PBHICJAKSA-N 0 0 473.471 3.239 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001303425214 1067949890 /nfs/dbraw/zinc/94/98/90/1067949890.db2.gz IQMPPIPQCIZFCB-MRXNPFEDSA-N 0 0 492.024 3.354 20 0 JGADRN C[C@H]1c2c(F)cccc2CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C ZINC001304905999 1067950181 /nfs/dbraw/zinc/95/01/81/1067950181.db2.gz JMJNJFMXLUHQBY-YOEHRIQHSA-N 0 0 458.538 3.017 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001303425475 1067950205 /nfs/dbraw/zinc/95/02/05/1067950205.db2.gz OAVTTXKNDQRMKD-CVEARBPZSA-N 0 0 468.341 3.281 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001303425477 1067950210 /nfs/dbraw/zinc/95/02/10/1067950210.db2.gz OAVTTXKNDQRMKD-HZPDHXFCSA-N 0 0 468.341 3.281 20 0 JGADRN C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccccc2Cl)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001304906044 1067950244 /nfs/dbraw/zinc/95/02/44/1067950244.db2.gz QOGXZYHIRNCOQI-AWEZNQCLSA-N 0 0 498.962 3.425 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001303425408 1067950270 /nfs/dbraw/zinc/95/02/70/1067950270.db2.gz LXXZKACYUAKGPM-ICSRJNTNSA-N 0 0 473.643 3.280 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001303425881 1067950819 /nfs/dbraw/zinc/95/08/19/1067950819.db2.gz YPLOKFDFDAARSW-NRFANRHFSA-N 0 0 468.385 3.162 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001303425803 1067950842 /nfs/dbraw/zinc/95/08/42/1067950842.db2.gz WAYLOEURNFUXKY-IBGZPJMESA-N 0 0 471.602 3.415 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001303426253 1067951156 /nfs/dbraw/zinc/95/11/56/1067951156.db2.gz KZBVWTWXHBLARL-QFIPXVFZSA-N 0 0 486.020 3.197 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001303425901 1067951306 /nfs/dbraw/zinc/95/13/06/1067951306.db2.gz YZYJFEHMVOPYJE-KRWDZBQOSA-N 0 0 472.659 3.282 20 0 JGADRN C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(OC(F)F)c1 ZINC001304908247 1067951593 /nfs/dbraw/zinc/95/15/93/1067951593.db2.gz PBNYQQRJAPBFEX-AWEZNQCLSA-N 0 0 476.915 3.234 20 0 JGADRN CC(C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001304908670 1067951936 /nfs/dbraw/zinc/95/19/36/1067951936.db2.gz ZBWRKGBZSPXORX-SZNDQCEHSA-N 0 0 470.401 3.238 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001303427025 1067952022 /nfs/dbraw/zinc/95/20/22/1067952022.db2.gz FQSYGRBDUKBCMO-APWZRJJASA-N 0 0 474.581 3.348 20 0 JGADRN CC(C)c1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1CCCC1CCOCC1 ZINC001304908826 1067952294 /nfs/dbraw/zinc/95/22/94/1067952294.db2.gz CMHILQVRUZSBOP-VXKWHMMOSA-N 0 0 474.694 3.235 20 0 JGADRN CC(C)(C)n1cc(CNC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)c(=O)[nH]c1=O ZINC001303427154 1067952319 /nfs/dbraw/zinc/95/23/19/1067952319.db2.gz INOXSZHGFSMALE-UHFFFAOYSA-N 0 0 459.909 3.101 20 0 JGADRN CC(C)C(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001304909414 1067953023 /nfs/dbraw/zinc/95/30/23/1067953023.db2.gz DCYWGBBDRSGTAA-IAGOWNOFSA-N 0 0 461.010 3.116 20 0 JGADRN CC(C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001303428737 1067953079 /nfs/dbraw/zinc/95/30/79/1067953079.db2.gz XNFUCMAPFACVTI-FQEVSTJZSA-N 0 0 454.962 3.486 20 0 JGADRN Cc1c(NC(=O)[C@@H](C)N2CCN(C)CC2)cc(I)cc1C(F)(F)F ZINC001303428142 1067953102 /nfs/dbraw/zinc/95/31/02/1067953102.db2.gz XIRNSVITYNUNKN-LLVKDONJSA-N 0 0 455.262 3.193 20 0 JGADRN C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccsc2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001304910474 1067953242 /nfs/dbraw/zinc/95/32/42/1067953242.db2.gz JGQPOGDJRFNMAF-MRXNPFEDSA-N 0 0 454.600 3.218 20 0 JGADRN CC(C)NC(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001303429141 1067953419 /nfs/dbraw/zinc/95/34/19/1067953419.db2.gz DAZFGMOLJQINRQ-MRXNPFEDSA-N 0 0 472.581 3.399 20 0 JGADRN CC(C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001303429806 1067953781 /nfs/dbraw/zinc/95/37/81/1067953781.db2.gz MALOLGKNSXMNLO-UHFFFAOYSA-N 0 0 464.010 3.272 20 0 JGADRN CC(C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@@H]1CCCSC1 ZINC001304910882 1067954108 /nfs/dbraw/zinc/95/41/08/1067954108.db2.gz JHSOWPVWVURQQG-NJYVYQBISA-N 0 0 462.708 3.171 20 0 JGADRN CC(C)NC(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(F)(F)F ZINC001303430045 1067954092 /nfs/dbraw/zinc/95/40/92/1067954092.db2.gz QPAYYHVHVMZUQJ-HNNXBMFYSA-N 0 0 476.544 3.306 20 0 JGADRN 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C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC(=O)N(C)C ZINC001303898978 1068541206 /nfs/dbraw/zinc/54/12/06/1068541206.db2.gz OOESWSMFKWVKDS-WMLDXEAASA-N 0 0 473.471 3.193 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001305322762 1068541694 /nfs/dbraw/zinc/54/16/94/1068541694.db2.gz DXOIIWBQCCDPTP-AVRWGWEMSA-N 0 0 468.577 3.182 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001305322821 1068542177 /nfs/dbraw/zinc/54/21/77/1068542177.db2.gz QBLKLFDJSPAWCZ-XFAGBWLFSA-N 0 0 489.642 3.254 20 0 JGADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCNC(=O)C1CC1 ZINC001303899625 1068542149 /nfs/dbraw/zinc/54/21/49/1068542149.db2.gz WFRVZVBBXWHIAF-HZPDHXFCSA-N 0 0 498.525 3.156 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001305322903 1068542220 /nfs/dbraw/zinc/54/22/20/1068542220.db2.gz AICBGMRTICPHNJ-NSYGIPOTSA-N 0 0 483.592 3.144 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCNC(=O)C1CC1 ZINC001303899623 1068542231 /nfs/dbraw/zinc/54/22/31/1068542231.db2.gz WFRVZVBBXWHIAF-HOTGVXAUSA-N 0 0 498.525 3.156 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001305323057 1068542762 /nfs/dbraw/zinc/54/27/62/1068542762.db2.gz BOZSZKPWRRFBCH-ASSNKEHSSA-N 0 0 485.507 3.151 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305323376 1068543173 /nfs/dbraw/zinc/54/31/73/1068543173.db2.gz GHXCLGUGEUQXGG-LZDTVADOSA-N 0 0 460.623 3.430 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001305323246 1068543178 /nfs/dbraw/zinc/54/31/78/1068543178.db2.gz OYOFXPUVVJHYPY-NLFFAJNJSA-N 0 0 454.619 3.388 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001305323533 1068543574 /nfs/dbraw/zinc/54/35/74/1068543574.db2.gz ABISEENXDRMNNC-MUMXORNYSA-N 0 0 470.492 3.355 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001305323589 1068543628 /nfs/dbraw/zinc/54/36/28/1068543628.db2.gz AGYJKQPJVLIMAI-RLSLOFABSA-N 0 0 471.650 3.112 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001305323670 1068543735 /nfs/dbraw/zinc/54/37/35/1068543735.db2.gz RUZSMJJVJPREPE-ARBPTSGCSA-N 0 0 476.419 3.221 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001305323802 1068544079 /nfs/dbraw/zinc/54/40/79/1068544079.db2.gz SGOPUXLXKYPRPY-ZJBJCVSYSA-N 0 0 451.999 3.422 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC(c2ccccc2CO)CC1 ZINC001305323877 1068544238 /nfs/dbraw/zinc/54/42/38/1068544238.db2.gz DMCOZLSODXBUSH-BVZFJXPGSA-N 0 0 450.587 3.409 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001305324310 1068544264 /nfs/dbraw/zinc/54/42/64/1068544264.db2.gz FBFNSPQJZLMHEA-HJPURHCSSA-N 0 0 474.556 3.242 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccccn2)CC1 ZINC001305324692 1068545117 /nfs/dbraw/zinc/54/51/17/1068545117.db2.gz SNSIPWFPCMUORO-BCHFMIIMSA-N 0 0 480.613 3.481 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccccn2)CC1 ZINC001305324693 1068545130 /nfs/dbraw/zinc/54/51/30/1068545130.db2.gz SNSIPWFPCMUORO-NIYFSFCBSA-N 0 0 480.613 3.481 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001303902227 1068545370 /nfs/dbraw/zinc/54/53/70/1068545370.db2.gz MUJRXUNGKFYZQT-YCRPNKLZSA-N 0 0 464.588 3.095 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001305324865 1068545581 /nfs/dbraw/zinc/54/55/81/1068545581.db2.gz CWAPVNQETZTCKN-IUKKYPGJSA-N 0 0 463.026 3.344 20 0 JGADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCNS(C)(=O)=O ZINC001303902382 1068546025 /nfs/dbraw/zinc/54/60/25/1068546025.db2.gz XAQPXKMDVPESKL-YLJYHZDGSA-N 0 0 497.637 3.280 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305324993 1068546043 /nfs/dbraw/zinc/54/60/43/1068546043.db2.gz VGTPDHVVXXNMJH-XEKQOVJPSA-N 0 0 470.437 3.268 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001305325040 1068546059 /nfs/dbraw/zinc/54/60/59/1068546059.db2.gz GYYJRBHBPPOXBY-WAIKUNEKSA-N 0 0 457.554 3.058 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001305325456 1068546086 /nfs/dbraw/zinc/54/60/86/1068546086.db2.gz HSEPZWORXISYPX-MZNJEOGPSA-N 0 0 453.566 3.306 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC=C(COC)CC1 ZINC001305325121 1068546097 /nfs/dbraw/zinc/54/60/97/1068546097.db2.gz HPROTSSGCRKZHO-WXTAPIANSA-N 0 0 480.613 3.255 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001305325075 1068546127 /nfs/dbraw/zinc/54/61/27/1068546127.db2.gz VOUWGVMRLUUCMS-LYZSKQBMSA-N 0 0 476.021 3.461 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC=C(COC)CC1 ZINC001305325119 1068546145 /nfs/dbraw/zinc/54/61/45/1068546145.db2.gz HPROTSSGCRKZHO-QYBDOPJKSA-N 0 0 480.613 3.255 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)Cc1cnn(C)c1 ZINC001305325188 1068546431 /nfs/dbraw/zinc/54/64/31/1068546431.db2.gz UIDNSHSCJFRJSF-MZNJEOGPSA-N 0 0 454.575 3.273 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 ZINC001305325545 1068546608 /nfs/dbraw/zinc/54/66/08/1068546608.db2.gz ICZIKCFGJYPPAT-GKVSMKOHSA-N 0 0 452.603 3.339 20 0 JGADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCS(C)(=O)=O ZINC001303902979 1068546878 /nfs/dbraw/zinc/54/68/78/1068546878.db2.gz PREYEGBELMLWAV-ZHRRBRCNSA-N 0 0 468.595 3.243 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCS(C)(=O)=O ZINC001303902975 1068547005 /nfs/dbraw/zinc/54/70/05/1068547005.db2.gz PREYEGBELMLWAV-KSFYIVLOSA-N 0 0 468.595 3.243 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001305325946 1068547124 /nfs/dbraw/zinc/54/71/24/1068547124.db2.gz IQKWKZIRPQFKRZ-MZNJEOGPSA-N 0 0 468.627 3.470 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001303903490 1068547404 /nfs/dbraw/zinc/54/74/04/1068547404.db2.gz ROCUPZDMPURIAD-VRXWPRPYSA-N 0 0 462.566 3.348 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@]1(O)CCSC1 ZINC001303903658 1068547454 /nfs/dbraw/zinc/54/74/54/1068547454.db2.gz TUVRSVJWVDLJMI-URKNILKWSA-N 0 0 476.496 3.193 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1cn[nH]c1 ZINC001303904155 1068548487 /nfs/dbraw/zinc/54/84/87/1068548487.db2.gz AGYYXMNTKYNZPK-OWCLPIDISA-N 0 0 481.022 3.295 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001305326908 1068549201 /nfs/dbraw/zinc/54/92/01/1068549201.db2.gz ZQYCEFHSFDQVMZ-PCRRDVQSSA-N 0 0 482.448 3.281 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001305326643 1068549396 /nfs/dbraw/zinc/54/93/96/1068549396.db2.gz HHQYLIRFRPYJEM-BTCOZLQPSA-N 0 0 462.664 3.369 20 0 JGADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@]1(C)COCCO1 ZINC001303904468 1068549324 /nfs/dbraw/zinc/54/93/24/1068549324.db2.gz CEETYSZWOCWOPF-ZHRRBRCNSA-N 0 0 460.966 3.247 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[C@H]1COCCO1 ZINC001303904936 1068549585 /nfs/dbraw/zinc/54/95/85/1068549585.db2.gz GPMYLDYFQXGODB-LPHOPBHVSA-N 0 0 480.009 3.228 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)O ZINC001303904920 1068549651 /nfs/dbraw/zinc/54/96/51/1068549651.db2.gz GMMSMLAGLHPWGU-QLFBSQMISA-N 0 0 459.012 3.100 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001303905038 1068549733 /nfs/dbraw/zinc/54/97/33/1068549733.db2.gz HQGCIBCESZRXOF-OVQGTLEDSA-N 0 0 497.562 3.120 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001305326875 1068549661 /nfs/dbraw/zinc/54/96/61/1068549661.db2.gz MSOGWVIMRIFUGC-UQBPGWFLSA-N 0 0 462.598 3.161 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001305327030 1068550200 /nfs/dbraw/zinc/55/02/00/1068550200.db2.gz ZSFDTNDBMBDLEX-FMLDBKJISA-N 0 0 485.629 3.397 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001305327086 1068550227 /nfs/dbraw/zinc/55/02/27/1068550227.db2.gz HTRDMMDHVGEYSX-MFSJNOQSSA-N 0 0 478.659 3.401 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001305327088 1068550367 /nfs/dbraw/zinc/55/03/67/1068550367.db2.gz HTRDMMDHVGEYSX-VAXXYWNWSA-N 0 0 478.659 3.401 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSC[C@@H]2C)n1CC(=O)NCC(F)(F)F ZINC001303905463 1068550547 /nfs/dbraw/zinc/55/05/47/1068550547.db2.gz PYSAXAITLCZFNN-STQMWFEESA-N 0 0 461.485 3.177 20 0 JGADRN 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COc1ccc([C@@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCC2)cc1 ZINC001299987936 1065291097 /nfs/dbraw/zinc/29/10/97/1065291097.db2.gz WXZAMJJBVOWBJG-IEBWSBKVSA-N 0 0 462.616 3.345 20 0 JGADRN COc1ccc(C)cc1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001299988347 1065291490 /nfs/dbraw/zinc/29/14/90/1065291490.db2.gz NHKJLWZRSXDAKS-OAQYLSRUSA-N 0 0 480.617 3.026 20 0 JGADRN COc1ccc(C)cc1CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001299988608 1065292168 /nfs/dbraw/zinc/29/21/68/1065292168.db2.gz RPGUFMFPSZYQRH-FQEVSTJZSA-N 0 0 498.628 3.177 20 0 JGADRN COc1ccc(C)cc1CN1CCN(c2nnc(C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001299990783 1065294412 /nfs/dbraw/zinc/29/44/12/1065294412.db2.gz ODGKAOCBWXGMLT-UHFFFAOYSA-N 0 0 494.587 3.386 20 0 JGADRN COc1ccc(C)cc1CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001299990963 1065295425 /nfs/dbraw/zinc/29/54/25/1065295425.db2.gz QWEWYPGAOMWQAD-RBBKRZOGSA-N 0 0 455.603 3.430 20 0 JGADRN COc1ccc(C)cc1CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001299991437 1065296567 /nfs/dbraw/zinc/29/65/67/1065296567.db2.gz VSXVBFOVKANBTR-FPOVZHCZSA-N 0 0 472.609 3.194 20 0 JGADRN COc1ccc(C)cc1CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001299991414 1065296588 /nfs/dbraw/zinc/29/65/88/1065296588.db2.gz VSXVBFOVKANBTR-CTNGQTDRSA-N 0 0 472.609 3.194 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CC[C@@H](F)C2)cc1OC ZINC001299993021 1065300043 /nfs/dbraw/zinc/30/00/43/1065300043.db2.gz YGAGKHSSRAWFSJ-KYHPRHEASA-N 0 0 468.595 3.358 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC001299994362 1065300765 /nfs/dbraw/zinc/30/07/65/1065300765.db2.gz ASVPBTSCEHPWJR-BRWVUGGUSA-N 0 0 480.631 3.035 20 0 JGADRN CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NCC(=O)c1c(Cl)cccc1Cl ZINC001299993513 1065300877 /nfs/dbraw/zinc/30/08/77/1065300877.db2.gz HXFNOYRWWBXXAY-LBPRGKRZSA-N 0 0 458.367 3.286 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H]3CCCN(c4cccnn4)C3)n2CCOC(C)C)cc1OC ZINC001299994341 1065300888 /nfs/dbraw/zinc/30/08/88/1065300888.db2.gz AMQYNIOPHHRZGD-HXUWFJFHSA-N 0 0 481.601 3.283 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@](C)(O)C2CCCCC2)cc1 ZINC001299995177 1065301978 /nfs/dbraw/zinc/30/19/78/1065301978.db2.gz MCVZXRUUFLZZBT-HXOBKFHXSA-N 0 0 464.632 3.154 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2Cc2ccnc(OC(F)F)c2)cc1OC ZINC001299995489 1065302562 /nfs/dbraw/zinc/30/25/62/1065302562.db2.gz OWIYQTSYVSAFHA-INIZCTEOSA-N 0 0 461.469 3.232 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)CCSC)n2Cc2cnnn2C)cc1Br ZINC001299995425 1065302595 /nfs/dbraw/zinc/30/25/95/1065302595.db2.gz PCYZCONSKQBERZ-CYBMUJFWSA-N 0 0 480.436 3.471 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2Cc2ccnc(OC(F)F)c2)cc1OC ZINC001299995490 1065302646 /nfs/dbraw/zinc/30/26/46/1065302646.db2.gz OWIYQTSYVSAFHA-MRXNPFEDSA-N 0 0 461.469 3.232 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H]3CCCN(c4cccnn4)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001299995286 1065302688 /nfs/dbraw/zinc/30/26/88/1065302688.db2.gz NCIWSGXZYXHRQR-FQEVSTJZSA-N 0 0 492.628 3.154 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[C@@H]2CCO[C@@H](C)C2)c(OC)c1 ZINC001299996529 1065304990 /nfs/dbraw/zinc/30/49/90/1065304990.db2.gz ZTFPGWBTJGXUHG-FGTMMUONSA-N 0 0 480.631 3.037 20 0 JGADRN COc1ccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2C[C@@](C)(O)c2ccco2)c(OC)c1 ZINC001299996262 1065305191 /nfs/dbraw/zinc/30/51/91/1065305191.db2.gz YBKRIADCTBNEMC-LJLLCPEMSA-N 0 0 497.596 3.347 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@@]2(C)COCCO2)cc1Br ZINC001299996584 1065305702 /nfs/dbraw/zinc/30/57/02/1065305702.db2.gz JILCXVVFXNMPMI-QRWLVFNGSA-N 0 0 483.432 3.463 20 0 JGADRN COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(N3CCCC3)nc2)cc1 ZINC001299996639 1065305781 /nfs/dbraw/zinc/30/57/81/1065305781.db2.gz KWZDPFKEBFLENQ-UHFFFAOYSA-N 0 0 477.613 3.348 20 0 JGADRN COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCCNC(=O)c2occc2C)cc1 ZINC001299996759 1065306361 /nfs/dbraw/zinc/30/63/61/1065306361.db2.gz ODMBLDIXIZGOGB-UHFFFAOYSA-N 0 0 482.585 3.026 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCn2cc(C)cn2)cc1Br ZINC001299997124 1065307082 /nfs/dbraw/zinc/30/70/82/1065307082.db2.gz UPXULGGTCDYIST-INIZCTEOSA-N 0 0 461.364 3.146 20 0 JGADRN COc1ccc(-c2nnc(N(C)CC(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1OC ZINC001299997513 1065308172 /nfs/dbraw/zinc/30/81/72/1065308172.db2.gz KPGWHYVXIKQXSM-IBGZPJMESA-N 0 0 471.524 3.318 20 0 JGADRN COc1ccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@@H]2C[C@H]2C)c(OC)c1 ZINC001299997459 1065308373 /nfs/dbraw/zinc/30/83/73/1065308373.db2.gz JPRCLUYPFLZOPR-MOPGFXCFSA-N 0 0 457.619 3.413 20 0 JGADRN COc1cc(NC(=O)c2ccccc2)c(C(=O)NCc2cc(=O)[nH]c(SC)n2)cc1OC ZINC001299999677 1065309758 /nfs/dbraw/zinc/30/97/58/1065309758.db2.gz ZLHIXLZKKHUSDS-UHFFFAOYSA-N 0 0 454.508 3.104 20 0 JGADRN Cc1ccc(Cn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)s1 ZINC001492198540 1065311241 /nfs/dbraw/zinc/31/12/41/1065311241.db2.gz BNEOEUVODVEGMQ-SJORKVTESA-N 0 0 472.640 3.193 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CCN2CCOC(C)(C)C2)c(F)c1 ZINC001492199110 1065311846 /nfs/dbraw/zinc/31/18/46/1065311846.db2.gz LFVPQBGTXJIIJN-UHFFFAOYSA-N 0 0 452.578 3.307 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001492199337 1065312378 /nfs/dbraw/zinc/31/23/78/1065312378.db2.gz PUAXZSAZSWDCRK-BGYRXZFFSA-N 0 0 452.578 3.305 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ncnn2CC(F)F)cn1 ZINC001492199316 1065312508 /nfs/dbraw/zinc/31/25/08/1065312508.db2.gz SIPTUSAHNXNCPU-UHFFFAOYSA-N 0 0 452.513 3.422 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2Cc2ccc(C)nc2)n1 ZINC001492200334 1065313202 /nfs/dbraw/zinc/31/32/02/1065313202.db2.gz ALPMHSJABSFSNK-HXUWFJFHSA-N 0 0 493.637 3.492 20 0 JGADRN Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cn1 ZINC001492200113 1065313230 /nfs/dbraw/zinc/31/32/30/1065313230.db2.gz DGAMMBAQVMHLEQ-UHFFFAOYSA-N 0 0 462.598 3.346 20 0 JGADRN Cc1occc1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)C1CC1 ZINC001492238024 1065313306 /nfs/dbraw/zinc/31/33/06/1065313306.db2.gz KWFLHRNWQWVMDP-UHFFFAOYSA-N 0 0 450.543 3.211 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001492201058 1065314468 /nfs/dbraw/zinc/31/44/68/1065314468.db2.gz KYKHRKRDNWOKGW-HXUWFJFHSA-N 0 0 468.602 3.203 20 0 JGADRN Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)cn1 ZINC001492200946 1065314494 /nfs/dbraw/zinc/31/44/94/1065314494.db2.gz JHOVHDRYJYAXKT-UHFFFAOYSA-N 0 0 463.991 3.133 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCCN(C(=O)OCC(C)C)CC2)cc1 ZINC001492201345 1065315027 /nfs/dbraw/zinc/31/50/27/1065315027.db2.gz MWBQJMGCBJWWLP-UHFFFAOYSA-N 0 0 468.602 3.062 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001492201147 1065315107 /nfs/dbraw/zinc/31/51/07/1065315107.db2.gz LNISSZDUIIZPOW-UHFFFAOYSA-N 0 0 468.602 3.251 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001492205060 1065319561 /nfs/dbraw/zinc/31/95/61/1065319561.db2.gz CBAKJVVJSPCSPX-VQTJNVASSA-N 0 0 457.575 3.216 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)C)n3CCc3ccn(C)n3)CC2)cc1F ZINC001492206000 1065320155 /nfs/dbraw/zinc/32/01/55/1065320155.db2.gz RSMYZUUGJYKQOL-UHFFFAOYSA-N 0 0 467.593 3.358 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CC3(C)C)CC2)cc1F ZINC001492205925 1065320203 /nfs/dbraw/zinc/32/02/03/1065320203.db2.gz QIQJCQSSBODBCN-FQEVSTJZSA-N 0 0 484.620 3.443 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccc(C)cc4)CC3)n2CC(=O)NC(C)C)o1 ZINC001492205806 1065320229 /nfs/dbraw/zinc/32/02/29/1065320229.db2.gz NZHNXDCSLYYNLB-UHFFFAOYSA-N 0 0 478.597 3.212 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@@H](C)N3CCOCC3)CC2)cc1 ZINC001492206439 1065321367 /nfs/dbraw/zinc/32/13/67/1065321367.db2.gz ZKYJXFWYYARNND-JOCHJYFZSA-N 0 0 482.673 3.039 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(-c4cnn(C)c4)n3CC(F)(F)F)CC2)cc1 ZINC001492206452 1065321421 /nfs/dbraw/zinc/32/14/21/1065321421.db2.gz ZTMQWLRAWJHCCP-UHFFFAOYSA-N 0 0 461.492 3.082 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3COCCO3)CC2)cc1 ZINC001492206369 1065321457 /nfs/dbraw/zinc/32/14/57/1065321457.db2.gz XPFKXLQJBOXKSI-QFIPXVFZSA-N 0 0 469.630 3.123 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ncccc2Cl)c1 ZINC001492208732 1065322935 /nfs/dbraw/zinc/32/29/35/1065322935.db2.gz YDTDJGANAMLIDO-OAHLLOKOSA-N 0 0 496.996 3.100 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc(C(=O)N3CCCC3)n2CCN(C)CC(F)(F)F)c1 ZINC001492208707 1065323037 /nfs/dbraw/zinc/32/30/37/1065323037.db2.gz XJMBISURXZSXNI-UHFFFAOYSA-N 0 0 456.488 3.092 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@@H]2C)c1 ZINC001492211250 1065323536 /nfs/dbraw/zinc/32/35/36/1065323536.db2.gz KGXAOTXVESARLP-UEXGIBASSA-N 0 0 479.622 3.131 20 0 JGADRN Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)ccc1F ZINC001492211121 1065323683 /nfs/dbraw/zinc/32/36/83/1065323683.db2.gz IACJJDYRXCCBPU-LJQANCHMSA-N 0 0 468.533 3.035 20 0 JGADRN Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCC2)c1 ZINC001492211011 1065323761 /nfs/dbraw/zinc/32/37/61/1065323761.db2.gz DPTAQLFLEUAMFW-UHFFFAOYSA-N 0 0 457.575 3.315 20 0 JGADRN Cc1nc(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCSCc2ccc(C)cc2)cs1 ZINC001492211812 1065324924 /nfs/dbraw/zinc/32/49/24/1065324924.db2.gz DYRGXHDLFCNZHE-FQEVSTJZSA-N 0 0 491.708 3.499 20 0 JGADRN Cc1ccc(CSCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)S[C@@H](C)C2)cc1 ZINC001492215283 1065326398 /nfs/dbraw/zinc/32/63/98/1065326398.db2.gz SAQWSEJZWXUJOK-BZSNNMDCSA-N 0 0 483.729 3.460 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001492217061 1065327714 /nfs/dbraw/zinc/32/77/14/1065327714.db2.gz JXKTUARBWSYTIA-QZTJIDSGSA-N 0 0 494.662 3.468 20 0 JGADRN Cc1ccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC001492217887 1065327760 /nfs/dbraw/zinc/32/77/60/1065327760.db2.gz SUKCRQZNTILCKZ-NRFANRHFSA-N 0 0 463.586 3.359 20 0 JGADRN Cc1ccc(N(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492217499 1065327844 /nfs/dbraw/zinc/32/78/44/1065327844.db2.gz OVUBLQPPBGNSCV-BGYRXZFFSA-N 0 0 454.619 3.478 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C(C)(C)C)no2)cc1 ZINC001492223566 1065328504 /nfs/dbraw/zinc/32/85/04/1065328504.db2.gz BSBBLVXHNOIVKS-IBGZPJMESA-N 0 0 488.614 3.021 20 0 JGADRN Cc1ccc(N(C)c2nnc(CC3CCCC3)n2CCS(=O)(=O)N2CCSCC2)cc1 ZINC001492224441 1065329059 /nfs/dbraw/zinc/32/90/59/1065329059.db2.gz KVVBZQQQXKQWHF-UHFFFAOYSA-N 0 0 463.673 3.466 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCCCC2)cc1 ZINC001492223872 1065329146 /nfs/dbraw/zinc/32/91/46/1065329146.db2.gz DZOLXUKAHCOSAU-QFIPXVFZSA-N 0 0 491.658 3.427 20 0 JGADRN Cc1ccc(N(C)c2nnc(CN3CCCC3=O)n2CCNc2nccc(C(F)(F)F)n2)cc1 ZINC001492226076 1065329181 /nfs/dbraw/zinc/32/91/81/1065329181.db2.gz AQUNEQSGZPCXOW-UHFFFAOYSA-N 0 0 474.491 3.398 20 0 JGADRN Cc1ccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001492227230 1065330010 /nfs/dbraw/zinc/33/00/10/1065330010.db2.gz IUFDOKBYTAYWHX-UHFFFAOYSA-N 0 0 452.584 3.392 20 0 JGADRN Cc1ccc(N(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 ZINC001492228624 1065331283 /nfs/dbraw/zinc/33/12/83/1065331283.db2.gz YAVKNBITVYYMIC-SCTDSRPQSA-N 0 0 497.600 3.113 20 0 JGADRN Cc1ccc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCC(=O)NC(C)C)CC2)cc1C ZINC001492229318 1065331362 /nfs/dbraw/zinc/33/13/62/1065331362.db2.gz ABPVCLUQUFAAOL-OAQYLSRUSA-N 0 0 454.619 3.030 20 0 JGADRN Cc1nc(Cc2nnc(N3CCN(c4ccc(C)cc4)CC3)n2CCSCCCO)cs1 ZINC001492232521 1065332957 /nfs/dbraw/zinc/33/29/57/1065332957.db2.gz DVOCKMRTHSKBPA-UHFFFAOYSA-N 0 0 472.684 3.384 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2CCO[C@@H](C)C2)cc1C ZINC001492232684 1065333647 /nfs/dbraw/zinc/33/36/47/1065333647.db2.gz JGMKANWYRDHSRU-YRPNKDGESA-N 0 0 491.658 3.220 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)N3CCOCC3)n2CC(C)(C)C(C)C)cc1C ZINC001492235925 1065336733 /nfs/dbraw/zinc/33/67/33/1065336733.db2.gz ZIQBUBSMMADUPG-UHFFFAOYSA-N 0 0 470.618 3.124 20 0 JGADRN Cc1noc(C)c1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCc1ccco1 ZINC001492237101 1065336749 /nfs/dbraw/zinc/33/67/49/1065336749.db2.gz FWZZQKKGIXMVQL-UHFFFAOYSA-N 0 0 491.552 3.298 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCC3CCOCC3)n2C[C@@H](C)N2CCOCC2)cc1C ZINC001492240290 1065338133 /nfs/dbraw/zinc/33/81/33/1065338133.db2.gz GTKOAHNKKXLUJO-OAQYLSRUSA-N 0 0 484.645 3.121 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H]2CCC[C@H]2C)cc1C ZINC001492240336 1065338293 /nfs/dbraw/zinc/33/82/93/1065338293.db2.gz IUABYYKNTUYLTK-MJGOQNOKSA-N 0 0 461.632 3.454 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CCc3nccs3)n2CCc2cn[nH]c2)cc1C ZINC001492240482 1065338781 /nfs/dbraw/zinc/33/87/81/1065338781.db2.gz NDLBBVNQQACCJF-UHFFFAOYSA-N 0 0 450.572 3.248 20 0 JGADRN 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Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@]2(C)CN(C)C2=O)cc1C ZINC001492238973 1065383897 /nfs/dbraw/zinc/38/38/97/1065383897.db2.gz XAAZVDZAHVWCNM-DFBJGRDBSA-N 0 0 450.587 3.418 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)(F)C3)n2C[C@]2(O)CCO[C@H]2C)cc1C ZINC001492239053 1065384001 /nfs/dbraw/zinc/38/40/01/1065384001.db2.gz XRFNFCUWAAJOQS-KSFYIVLOSA-N 0 0 463.529 3.169 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(CC(F)F)CC2)cc1 ZINC001492301171 1065384659 /nfs/dbraw/zinc/38/46/59/1065384659.db2.gz AORVTKLOOLFGRJ-LJQANCHMSA-N 0 0 456.541 3.427 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)c1 ZINC001492302411 1065385908 /nfs/dbraw/zinc/38/59/08/1065385908.db2.gz GVDFMUKRLHNBNW-CQSZACIVSA-N 0 0 479.919 3.211 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccn2)c1 ZINC001492302599 1065385943 /nfs/dbraw/zinc/38/59/43/1065385943.db2.gz JWVBAQIINRTUBX-MRXNPFEDSA-N 0 0 477.537 3.170 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC001492303571 1065386621 /nfs/dbraw/zinc/38/66/21/1065386621.db2.gz SDMPKPHHKPHCPQ-KRWDZBQOSA-N 0 0 463.529 3.045 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCCOC(F)F)CC2)cc1 ZINC001492303055 1065386797 /nfs/dbraw/zinc/38/67/97/1065386797.db2.gz PBKIBZNIBPTDFF-UHFFFAOYSA-N 0 0 451.518 3.402 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@H](C)[C@@H]2C)c1 ZINC001492303045 1065386867 /nfs/dbraw/zinc/38/68/67/1065386867.db2.gz OZCOUYIDMBMKBA-ARFHVFGLSA-N 0 0 486.610 3.469 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCC2CCOCC2)c1 ZINC001492303938 1065387263 /nfs/dbraw/zinc/38/72/63/1065387263.db2.gz UWCMPODCIJKIKY-SFHVURJKSA-N 0 0 463.529 3.440 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(C)C)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC001492303851 1065387397 /nfs/dbraw/zinc/38/73/97/1065387397.db2.gz KOKMWWRBGNUMII-SFHVURJKSA-N 0 0 483.585 3.364 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H](C)Oc2ccc(C)cc2)cs1 ZINC001492306561 1065388058 /nfs/dbraw/zinc/38/80/58/1065388058.db2.gz QSTLVYTVYWFVAJ-KRWDZBQOSA-N 0 0 489.667 3.423 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC001492307800 1065388690 /nfs/dbraw/zinc/38/86/90/1065388690.db2.gz WDCAQBFFPSXHQQ-CABCVRRESA-N 0 0 467.542 3.489 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CCN2CCC(C)CC2)cc1 ZINC001492310041 1065389469 /nfs/dbraw/zinc/38/94/69/1065389469.db2.gz BYOPMTPJHAWLHY-RTWAWAEBSA-N 0 0 477.675 3.155 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2CC=CCO2)cc1C ZINC001492310539 1065389977 /nfs/dbraw/zinc/38/99/77/1065389977.db2.gz FXGIHHPKETVRJW-SVFBPWRDSA-N 0 0 462.616 3.077 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCN(C)CC(F)(F)F)CC2)cc1 ZINC001492310626 1065390005 /nfs/dbraw/zinc/39/00/05/1065390005.db2.gz HFADXFDCAMYQGD-LJQANCHMSA-N 0 0 480.535 3.080 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CCCSC2)cc1C ZINC001492313623 1065391915 /nfs/dbraw/zinc/39/19/15/1065391915.db2.gz WOWLWBVGMHABRX-MOPGFXCFSA-N 0 0 466.673 3.486 20 0 JGADRN Cc1ncsc1CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001492315470 1065392402 /nfs/dbraw/zinc/39/24/02/1065392402.db2.gz ARKDLJFMFFNECI-GOSISDBHSA-N 0 0 475.640 3.105 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 ZINC001492316644 1065392800 /nfs/dbraw/zinc/39/28/00/1065392800.db2.gz KBRNYBDWKHNTEQ-PMACEKPBSA-N 0 0 476.643 3.120 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCC(=O)N2CCOCC2)cc1 ZINC001492316217 1065392820 /nfs/dbraw/zinc/39/28/20/1065392820.db2.gz HKSNNJHMGAPSKO-SFTDATJTSA-N 0 0 455.603 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)cc1C ZINC001492316232 1065392941 /nfs/dbraw/zinc/39/29/41/1065392941.db2.gz HLJRBFTXPYGAFI-TZIWHRDSSA-N 0 0 479.572 3.055 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001492317813 1065393640 /nfs/dbraw/zinc/39/36/40/1065393640.db2.gz QQGBMVVKIIYOBI-IBGZPJMESA-N 0 0 453.509 3.417 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)cc1 ZINC001492318046 1065394030 /nfs/dbraw/zinc/39/40/30/1065394030.db2.gz SRZUQRROPHXPMK-IEBWSBKVSA-N 0 0 450.630 3.075 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001492319539 1065394671 /nfs/dbraw/zinc/39/46/71/1065394671.db2.gz COUXJLGBJHASFO-FYYLOGMGSA-N 0 0 471.646 3.385 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCNC(=O)c2cccs2)cc1 ZINC001492319401 1065394761 /nfs/dbraw/zinc/39/47/61/1065394761.db2.gz AHDLBZVNOAZOQA-UHFFFAOYSA-N 0 0 484.626 3.008 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCCCS2(=O)=O)cc1C ZINC001492321100 1065395215 /nfs/dbraw/zinc/39/52/15/1065395215.db2.gz WYEXPGCLRCGJPR-QGZVFWFLSA-N 0 0 460.522 3.440 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@](C)(O)c2ccsc2)cc1C ZINC001492320682 1065395407 /nfs/dbraw/zinc/39/54/07/1065395407.db2.gz PTCJMSZMUQXODX-DEOSSOPVSA-N 0 0 471.627 3.404 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@]2(O)CCO[C@H]2C)cc1 ZINC001492322859 1065395812 /nfs/dbraw/zinc/39/58/12/1065395812.db2.gz BOPTXAQOUZKZBM-KSFYIVLOSA-N 0 0 494.518 3.094 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC(=O)NC(C)C)cc1C ZINC001492325440 1065397536 /nfs/dbraw/zinc/39/75/36/1065397536.db2.gz MELJCVJRPBJWDG-UHFFFAOYSA-N 0 0 474.009 3.412 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCCc3ccccn3)n2C[C@]2(O)CCOC2)cc1C ZINC001492328965 1065398843 /nfs/dbraw/zinc/39/88/43/1065398843.db2.gz BZQXWTJNYSNGCB-RUZDIDTESA-N 0 0 451.571 3.089 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2CCN2CCOC[C@H]2C)cc1C ZINC001492331012 1065401444 /nfs/dbraw/zinc/40/14/44/1065401444.db2.gz VIENXDHKKPQRAG-HXUWFJFHSA-N 0 0 470.643 3.330 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2C[C@H]2CCCCS2(=O)=O)cc1C ZINC001492331049 1065401532 /nfs/dbraw/zinc/40/15/32/1065401532.db2.gz QFLNUUWQCTWLHW-JOCHJYFZSA-N 0 0 476.643 3.304 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2CCN2CCOCC2(C)C)cc1C ZINC001492331684 1065402689 /nfs/dbraw/zinc/40/26/89/1065402689.db2.gz UFDFAHDQKWUCFV-OAQYLSRUSA-N 0 0 457.619 3.057 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCSC(F)(F)F)cc1C ZINC001492336469 1065403447 /nfs/dbraw/zinc/40/34/47/1065403447.db2.gz BBWKFFWYZYTCBV-HNNXBMFYSA-N 0 0 457.522 3.394 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2CC2(S(C)(=O)=O)CCCC2)cc1C ZINC001492336584 1065403547 /nfs/dbraw/zinc/40/35/47/1065403547.db2.gz HATGMTHEXSAOEL-OAQYLSRUSA-N 0 0 476.643 3.447 20 0 JGADRN Cc1ccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@]2(O)CCCC2(C)C)cc1C ZINC001492337522 1065404357 /nfs/dbraw/zinc/40/43/57/1065404357.db2.gz KZMJVEBGEOUUDH-RUZDIDTESA-N 0 0 490.670 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(OC(C)C)nc2)cc1 ZINC001492336932 1065404406 /nfs/dbraw/zinc/40/44/06/1065404406.db2.gz IMESTEINPRLWPX-IBGZPJMESA-N 0 0 464.570 3.063 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@]2(C)CCO[C@H]2C2CC2)cc1C ZINC001492336600 1065404455 /nfs/dbraw/zinc/40/44/55/1065404455.db2.gz HLXPQGBHXGPULT-UPVQGACJSA-N 0 0 476.643 3.160 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)cc1C ZINC001492337571 1065405377 /nfs/dbraw/zinc/40/53/77/1065405377.db2.gz MWZQRTCOLQCSMD-LJQANCHMSA-N 0 0 464.632 3.160 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@](C)(O)c2ccsc2)cc1C ZINC001492337976 1065405381 /nfs/dbraw/zinc/40/53/81/1065405381.db2.gz JGRGUXKFYOIBDF-HOYKHHGWSA-N 0 0 469.611 3.110 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001492338118 1065406008 /nfs/dbraw/zinc/40/60/08/1065406008.db2.gz JYOMVQQDAYPSIX-SFHVURJKSA-N 0 0 464.632 3.383 20 0 JGADRN Cc1ccc(OCc2nnc(N(C[C@@H]3CCOC3)C3CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492338421 1065406045 /nfs/dbraw/zinc/40/60/45/1065406045.db2.gz QYDYYNVJWMFKAB-IBGZPJMESA-N 0 0 455.603 3.476 20 0 JGADRN Cc1ccc(OCc2nnc(N(CCC(C)C)C3CC3)n2CC(=O)N2CCOCC2)cc1C ZINC001492338215 1065406111 /nfs/dbraw/zinc/40/61/11/1065406111.db2.gz OEUGIDROSRIGTF-UHFFFAOYSA-N 0 0 455.603 3.348 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492294226 1065409828 /nfs/dbraw/zinc/40/98/28/1065409828.db2.gz HXGVYDFRUVZQTN-SVFBPWRDSA-N 0 0 498.628 3.499 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001492295314 1065410359 /nfs/dbraw/zinc/41/03/59/1065410359.db2.gz NDUDWKKOPITDPQ-LMSBXDPUSA-N 0 0 467.492 3.161 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1C ZINC001492352421 1065414758 /nfs/dbraw/zinc/41/47/58/1065414758.db2.gz NHJXLFTURBFAPS-IBGZPJMESA-N 0 0 454.575 3.089 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CCOC(C)(C)C)cc1C ZINC001492353859 1065417253 /nfs/dbraw/zinc/41/72/53/1065417253.db2.gz NXALFYNAMHPSAB-QFIPXVFZSA-N 0 0 471.646 3.448 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001492362166 1065423226 /nfs/dbraw/zinc/42/32/26/1065423226.db2.gz CDKJRPORYUPFRS-AREMUKBSSA-N 0 0 498.628 3.281 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2CCCSC2)cc1C ZINC001492362600 1065424048 /nfs/dbraw/zinc/42/40/48/1065424048.db2.gz DEHIMLGYJMEJAS-UYAOXDASSA-N 0 0 464.657 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4c(ccnc4N(C)C)C3)n2CCCNC(=O)C(C)C)cc1 ZINC001492363645 1065424909 /nfs/dbraw/zinc/42/49/09/1065424909.db2.gz LCONLCHPTBXHTH-UHFFFAOYSA-N 0 0 491.640 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC001492363933 1065425634 /nfs/dbraw/zinc/42/56/34/1065425634.db2.gz OVJSKWYYKOAICS-SANMLTNESA-N 0 0 498.628 3.185 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001492363897 1065425710 /nfs/dbraw/zinc/42/57/10/1065425710.db2.gz OEESHPMABLPETJ-VQTJNVASSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@]2(O)CCO[C@H]2C)cc1C ZINC001492364242 1065426563 /nfs/dbraw/zinc/42/65/63/1065426563.db2.gz UJYIDKZDVXLZPB-CPJSRVTESA-N 0 0 458.603 3.408 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@@H]2CC[C@@H](C)C2)cc1 ZINC001492391114 1065428144 /nfs/dbraw/zinc/42/81/44/1065428144.db2.gz MUWQSYOPNKGHIS-HSALFYBXSA-N 0 0 461.632 3.072 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@H]2CC[C@H](C)C2)cc1 ZINC001492391116 1065428748 /nfs/dbraw/zinc/42/87/48/1065428748.db2.gz MUWQSYOPNKGHIS-UFYCRDLUSA-N 0 0 461.632 3.072 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CCC(=O)NC(C)(C)C)cc1C ZINC001492369613 1065429567 /nfs/dbraw/zinc/42/95/67/1065429567.db2.gz PCWCDSMXDLSCBY-HXUWFJFHSA-N 0 0 496.656 3.274 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H]4CCC[C@@H]43)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492369212 1065429664 /nfs/dbraw/zinc/42/96/64/1065429664.db2.gz MIXQLIHCPUJEHO-FPOVZHCZSA-N 0 0 461.632 3.181 20 0 JGADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCCNC(=O)C(C)C)C2)n1 ZINC001492369772 1065430190 /nfs/dbraw/zinc/43/01/90/1065430190.db2.gz BJBPCYJLGVMSOT-JOCHJYFZSA-N 0 0 494.644 3.378 20 0 JGADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCCS(C)(=O)=O)C2)n1 ZINC001492369818 1065430244 /nfs/dbraw/zinc/43/02/44/1065430244.db2.gz CKTHURWWOHQZGJ-OAQYLSRUSA-N 0 0 486.642 3.255 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@@]2(C)COCCO2)cc1C ZINC001492370327 1065432863 /nfs/dbraw/zinc/43/28/63/1065432863.db2.gz HXFMOOSHPVNOEU-CUNXSJBXSA-N 0 0 499.656 3.268 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@@]2(C)COCCO2)cc1 ZINC001492371432 1065435930 /nfs/dbraw/zinc/43/59/30/1065435930.db2.gz RCGIYYHKPYPZTN-ZBLYBZFDSA-N 0 0 499.656 3.350 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2CCC2(C)CC2)cc1C ZINC001492372376 1065438000 /nfs/dbraw/zinc/43/80/00/1065438000.db2.gz YYSVUFQTGLLLLR-HXUWFJFHSA-N 0 0 475.659 3.430 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCS(C)(=O)=O)cc1C ZINC001492372378 1065438055 /nfs/dbraw/zinc/43/80/55/1065438055.db2.gz YZQVVUVTCYGOPW-SFHVURJKSA-N 0 0 490.548 3.066 20 0 JGADRN Cc1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)no1 ZINC001492376740 1065438781 /nfs/dbraw/zinc/43/87/81/1065438781.db2.gz DMQHUIOYZPBGNO-UHFFFAOYSA-N 0 0 452.559 3.205 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC2(C)CCCC2)cc1 ZINC001492376718 1065438918 /nfs/dbraw/zinc/43/89/18/1065438918.db2.gz DBCHNUKGSIJHEX-UHFFFAOYSA-N 0 0 461.632 3.218 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@H](C)C3)n2CCNC(=O)c2ccn[nH]2)cc1C ZINC001492376909 1065439650 /nfs/dbraw/zinc/43/96/50/1065439650.db2.gz GBRNITCAXVKHSA-KRWDZBQOSA-N 0 0 451.575 3.253 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCNC(=O)c2ccn[nH]2)cc1C ZINC001492376910 1065440005 /nfs/dbraw/zinc/44/00/05/1065440005.db2.gz GBRNITCAXVKHSA-QGZVFWFLSA-N 0 0 451.575 3.253 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001545691943 1065440776 /nfs/dbraw/zinc/44/07/76/1065440776.db2.gz LQBVEKTWBVSWOY-GOSISDBHSA-N 0 0 493.612 3.254 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCCC(C)C)cc1C ZINC001492377489 1065441711 /nfs/dbraw/zinc/44/17/11/1065441711.db2.gz QTYZQAOAHKKTOF-UHFFFAOYSA-N 0 0 463.648 3.382 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3nncn3C)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001492378297 1065443215 /nfs/dbraw/zinc/44/32/15/1065443215.db2.gz KZPPONQZJOACPK-JJVXONKQSA-N 0 0 485.658 3.491 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1C ZINC001492379034 1065443749 /nfs/dbraw/zinc/44/37/49/1065443749.db2.gz OUXRZPKVIRDUHM-VQTJNVASSA-N 0 0 498.596 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3ccco3)n2CCCNS(C)(=O)=O)cc1 ZINC001492379478 1065443898 /nfs/dbraw/zinc/44/38/98/1065443898.db2.gz RIEBKCYPJGMCDQ-LJQANCHMSA-N 0 0 459.572 3.039 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001492379714 1065444707 /nfs/dbraw/zinc/44/47/07/1065444707.db2.gz VYWJNCSPUMTAFA-NHCUHLMSSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC001492382791 1065445303 /nfs/dbraw/zinc/44/53/03/1065445303.db2.gz DEFAUBWJTHYAPB-AUSIDOKSSA-N 0 0 455.603 3.285 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@](C)(O)C2CCCCC2)cc1C ZINC001492382978 1065446364 /nfs/dbraw/zinc/44/63/64/1065446364.db2.gz HDAYFBXTPNOXPR-RUZDIDTESA-N 0 0 455.603 3.084 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2Cc2ccn(C)n2)cc1C ZINC001492383309 1065447727 /nfs/dbraw/zinc/44/77/27/1065447727.db2.gz QRXNLGMEMJHTOU-UHFFFAOYSA-N 0 0 481.601 3.170 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C)c2nccs2)cc1C ZINC001492383763 1065448648 /nfs/dbraw/zinc/44/86/48/1065448648.db2.gz XMOQWYVFQPOCSS-MSOLQXFVSA-N 0 0 454.600 3.401 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCc2cccnc2)cc1 ZINC001492383714 1065448765 /nfs/dbraw/zinc/44/87/65/1065448765.db2.gz BDBQDJSJZSFHBD-NRFANRHFSA-N 0 0 462.598 3.496 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@]2(O)CCSC2)cc1 ZINC001492384666 1065451385 /nfs/dbraw/zinc/45/13/85/1065451385.db2.gz KIZBGWAITMZZIQ-LAUBAEHRSA-N 0 0 485.576 3.106 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC2(O)CC2)cc1C ZINC001492384344 1065451430 /nfs/dbraw/zinc/45/14/30/1065451430.db2.gz GETMZMVNZYEPRR-UHFFFAOYSA-N 0 0 471.499 3.021 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCN(C)C(=O)OC(C)(C)C)cc1C ZINC001492385209 1065452176 /nfs/dbraw/zinc/45/21/76/1065452176.db2.gz OHJZRNPSKYXFCZ-IBGZPJMESA-N 0 0 486.617 3.008 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCSCC(F)(F)F)cc1C ZINC001492385689 1065453760 /nfs/dbraw/zinc/45/37/60/1065453760.db2.gz UQTHGLBBLOIYKO-MRXNPFEDSA-N 0 0 471.549 3.436 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001492385941 1065453831 /nfs/dbraw/zinc/45/38/31/1065453831.db2.gz WELZQDANBLZTCH-LEWJYISDSA-N 0 0 455.603 3.143 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(Cc4cscn4)CC3)n2CCOC(C)C)cc1 ZINC001492390795 1065455439 /nfs/dbraw/zinc/45/54/39/1065455439.db2.gz AUPGHGOSVPKNKP-UHFFFAOYSA-N 0 0 456.616 3.369 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CCSC(C)C)cc1C ZINC001492390834 1065455482 /nfs/dbraw/zinc/45/54/82/1065455482.db2.gz CJCXDAGVLHPHHS-IBGZPJMESA-N 0 0 481.688 3.086 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@]4(C)C3)n2CCCOC(F)(F)F)cc1C ZINC001492390816 1065455678 /nfs/dbraw/zinc/45/56/78/1065455678.db2.gz BTXXTRBIWZBYRL-NRFANRHFSA-N 0 0 483.491 3.431 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)N(C)C[C@@H]4C3)n2CCOCCC(C)C)cc1C ZINC001492390892 1065456360 /nfs/dbraw/zinc/45/63/60/1065456360.db2.gz FJTCFMCODVLCET-OAQYLSRUSA-N 0 0 470.618 3.093 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(Cc4cscn4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492390902 1065456422 /nfs/dbraw/zinc/45/64/22/1065456422.db2.gz FRTBTJDEXBHLCX-DEOSSOPVSA-N 0 0 470.643 3.351 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001492340968 1065456537 /nfs/dbraw/zinc/45/65/37/1065456537.db2.gz XFIUUPFEFYSJCD-ICSRJNTNSA-N 0 0 497.562 3.432 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492343374 1065457136 /nfs/dbraw/zinc/45/71/36/1065457136.db2.gz BRPOJOMWTILWDH-LVXARBLLSA-N 0 0 485.629 3.117 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492343373 1065457266 /nfs/dbraw/zinc/45/72/66/1065457266.db2.gz BRPOJOMWTILWDH-HFZDXXHNSA-N 0 0 485.629 3.117 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001492344263 1065458061 /nfs/dbraw/zinc/45/80/61/1065458061.db2.gz LDMUKEKNDAPBTR-HSBGBRKOSA-N 0 0 460.644 3.310 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCc2cnn(C)n2)cc1C ZINC001492343549 1065458100 /nfs/dbraw/zinc/45/81/00/1065458100.db2.gz CLLWNVQTQMIUGU-LJQANCHMSA-N 0 0 453.591 3.239 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1 ZINC001492344280 1065458151 /nfs/dbraw/zinc/45/81/51/1065458151.db2.gz LPXMYCDUJCGYHG-BGYRXZFFSA-N 0 0 455.603 3.428 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H]4NC(=O)CC[C@H]4C3)n2CCCOCC(C)C)cc1C ZINC001492344474 1065458935 /nfs/dbraw/zinc/45/89/35/1065458935.db2.gz NILVHCWTXVYEPU-UNMCSNQZSA-N 0 0 455.603 3.251 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001492390976 1065458945 /nfs/dbraw/zinc/45/89/45/1065458945.db2.gz IOCOJZQDTLPBLP-KRWDZBQOSA-N 0 0 471.549 3.248 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC(C)(C)N2CCOCC2)cc1C ZINC001492344991 1065459561 /nfs/dbraw/zinc/45/95/61/1065459561.db2.gz SVEMAAAYIGXCPA-SFTDATJTSA-N 0 0 457.619 3.198 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C4CC4)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492345374 1065460420 /nfs/dbraw/zinc/46/04/20/1065460420.db2.gz UTSBLNCKORXUES-NQIIRXRSSA-N 0 0 455.603 3.474 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001492345162 1065460449 /nfs/dbraw/zinc/46/04/49/1065460449.db2.gz BOUGPVYUZUFBOB-UHFFFAOYSA-N 0 0 486.617 3.124 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C4CC4)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492345376 1065460506 /nfs/dbraw/zinc/46/05/06/1065460506.db2.gz UTSBLNCKORXUES-WIYYLYMNSA-N 0 0 455.603 3.474 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001492345274 1065460541 /nfs/dbraw/zinc/46/05/41/1065460541.db2.gz CDEIGYFNWIDLHO-KKSFZXQISA-N 0 0 454.493 3.484 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cc1 ZINC001492345650 1065461147 /nfs/dbraw/zinc/46/11/47/1065461147.db2.gz DWKDZFZVRMVZTK-SVFBPWRDSA-N 0 0 498.628 3.123 20 0 JGADRN Cc1csc([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)n1 ZINC001492346994 1065461698 /nfs/dbraw/zinc/46/16/98/1065461698.db2.gz OLXUJIIKIMDUNZ-WAIKUNEKSA-N 0 0 454.600 3.436 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)N4CCC(C)CC4)CC3)n2CC(C)(C)O)cc1 ZINC001492346873 1065461826 /nfs/dbraw/zinc/46/18/26/1065461826.db2.gz MNWFBMGNNIDINF-UHFFFAOYSA-N 0 0 469.630 3.411 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2=CCCOC2)cc1C ZINC001492347006 1065462720 /nfs/dbraw/zinc/46/27/20/1065462720.db2.gz OPISQHONRYHJJE-IBGZPJMESA-N 0 0 493.530 3.325 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCOC(C)(C)C)cc1 ZINC001492347474 1065462768 /nfs/dbraw/zinc/46/27/68/1065462768.db2.gz UTPKXWMWJQEMLS-QGZVFWFLSA-N 0 0 483.535 3.485 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC2(C(N)=O)CCOCC2)cc1 ZINC001492347819 1065463578 /nfs/dbraw/zinc/46/35/78/1065463578.db2.gz XJXAEUIXOJXGGD-LJQANCHMSA-N 0 0 455.603 3.320 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1C ZINC001492394552 1065466993 /nfs/dbraw/zinc/46/69/93/1065466993.db2.gz OSIQMOJUUCJLRW-ZWKOTPCHSA-N 0 0 481.519 3.156 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](c4ccco4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492400347 1065469278 /nfs/dbraw/zinc/46/92/78/1065469278.db2.gz HWZLDPDTVSBBPB-NRFANRHFSA-N 0 0 467.570 3.499 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC4(C3)CCCCCC4)n2CCCNS(C)(=O)=O)cc1 ZINC001492402104 1065471691 /nfs/dbraw/zinc/47/16/91/1065471691.db2.gz RSYUOKKRPNIMMG-UHFFFAOYSA-N 0 0 491.658 3.034 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCCOC[C@H]2CCOC2)cc1C ZINC001492402361 1065472591 /nfs/dbraw/zinc/47/25/91/1065472591.db2.gz RUCSGPSWGBGDFS-LSWJPFSZSA-N 0 0 458.603 3.124 20 0 JGADRN Cc1nc([C@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCOC(C)(C)C)CCO2)no1 ZINC001492402950 1065473408 /nfs/dbraw/zinc/47/34/08/1065473408.db2.gz XRWQKYNEWYULOV-LJQANCHMSA-N 0 0 456.547 3.250 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)cc1 ZINC001492402920 1065473457 /nfs/dbraw/zinc/47/34/57/1065473457.db2.gz XOVNXWGKMTYARS-UHFFFAOYSA-N 0 0 467.517 3.162 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001492407964 1065474131 /nfs/dbraw/zinc/47/41/31/1065474131.db2.gz IWKXPMMKIZFFSN-KSZLIROESA-N 0 0 468.570 3.328 20 0 JGADRN Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3F)CC2)cc1 ZINC001492407931 1065474295 /nfs/dbraw/zinc/47/42/95/1065474295.db2.gz IVOLPRCXAFZXIF-UHFFFAOYSA-N 0 0 495.603 3.445 20 0 JGADRN Cc1ccc(OCCCCn2c(CC(C)C)nnc2N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC001492411533 1065475442 /nfs/dbraw/zinc/47/54/42/1065475442.db2.gz HZRRHVQIVGEYJA-SANMLTNESA-N 0 0 482.629 3.459 20 0 JGADRN Cc1ccc(OCCCCn2c(Cc3ccncc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC001492412240 1065476306 /nfs/dbraw/zinc/47/63/06/1065476306.db2.gz NTRUFIBJKCHPFQ-QFIPXVFZSA-N 0 0 469.611 3.055 20 0 JGADRN Cc1ccc(OCCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)N2CCOCC2)cc1 ZINC001492417495 1065477234 /nfs/dbraw/zinc/47/72/34/1065477234.db2.gz SFPODDTZDIRJJL-UHFFFAOYSA-N 0 0 484.988 3.066 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC001492418115 1065477761 /nfs/dbraw/zinc/47/77/61/1065477761.db2.gz CCVVDJVBFNQLCR-WOJBJXKFSA-N 0 0 464.570 3.300 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(C)cc2)cs1 ZINC001492417936 1065477785 /nfs/dbraw/zinc/47/77/85/1065477785.db2.gz WWRWOGQGROFTIJ-LJQANCHMSA-N 0 0 475.640 3.035 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCOC2)cc1 ZINC001492418144 1065478873 /nfs/dbraw/zinc/47/88/73/1065478873.db2.gz DIOCOWFPZHSXCG-LJQANCHMSA-N 0 0 450.543 3.176 20 0 JGADRN Cc1ccc(OCCCn2c(Cc3ccsc3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC001492419223 1065480330 /nfs/dbraw/zinc/48/03/30/1065480330.db2.gz SOKPNESJZLQVIS-UHFFFAOYSA-N 0 0 489.667 3.180 20 0 JGADRN Cc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(C)cc2)sc1C ZINC001492420903 1065482068 /nfs/dbraw/zinc/48/20/68/1065482068.db2.gz KYOHITFTVKZTOK-SFHVURJKSA-N 0 0 475.640 3.125 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)cc1 ZINC001492421487 1065482196 /nfs/dbraw/zinc/48/21/96/1065482196.db2.gz PZTUTPJFQYZVFQ-UHFFFAOYSA-N 0 0 483.638 3.445 20 0 JGADRN Cc1ccc(OCCn2c(-c3cccn3C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001492425081 1065483854 /nfs/dbraw/zinc/48/38/54/1065483854.db2.gz SUKIHJDSXFNVOL-UHFFFAOYSA-N 0 0 450.587 3.366 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 ZINC001492427717 1065486249 /nfs/dbraw/zinc/48/62/49/1065486249.db2.gz UCHWZZDLNNERDP-UXHICEINSA-N 0 0 498.628 3.092 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCOC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492428085 1065486843 /nfs/dbraw/zinc/48/68/43/1065486843.db2.gz ZMHYULMXDLNBKN-RBUKOAKNSA-N 0 0 457.575 3.273 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cnccn3)n2CC2CCCCC2)cc1 ZINC001492429169 1065487228 /nfs/dbraw/zinc/48/72/28/1065487228.db2.gz HKWQBGNTOJXFIN-UHFFFAOYSA-N 0 0 469.615 3.039 20 0 JGADRN Cc1ccc(OCCn2c(N3CCN(CC(C)C)C(=O)[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001492429379 1065487329 /nfs/dbraw/zinc/48/73/29/1065487329.db2.gz HSBUHPDCQWDRIU-AMGIVPHBSA-N 0 0 499.656 3.399 20 0 JGADRN Cc1ccc(OCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001492429558 1065488422 /nfs/dbraw/zinc/48/84/22/1065488422.db2.gz JMLKKWIYIGJDRF-HMXCVIKNSA-N 0 0 476.643 3.207 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cccs2)cc1 ZINC001492430355 1065488443 /nfs/dbraw/zinc/48/84/43/1065488443.db2.gz NNAWCRXFKCCCGL-GOSISDBHSA-N 0 0 475.640 3.005 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CC=CCC2)cc1 ZINC001492431968 1065488955 /nfs/dbraw/zinc/48/89/55/1065488955.db2.gz UUSVJBSJAXTSOM-SFTDATJTSA-N 0 0 473.643 3.252 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N2CC[C@H](Cc3ccc(F)cc3)C2)s1 ZINC001492441551 1065497661 /nfs/dbraw/zinc/49/76/61/1065497661.db2.gz RXOHGQOTJZHFKD-GOSISDBHSA-N 0 0 463.604 3.143 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCCOC(F)(F)F)cc1C ZINC001492391690 1065498302 /nfs/dbraw/zinc/49/83/02/1065498302.db2.gz UWHHFEYYPMZWLW-KRWDZBQOSA-N 0 0 467.492 3.211 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](C(F)(F)F)C2)s1 ZINC001492443141 1065499076 /nfs/dbraw/zinc/49/90/76/1065499076.db2.gz YICSWXXAERJZCU-CQSZACIVSA-N 0 0 488.561 3.400 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@H]3CCSC3)n2CC2(C(N)=O)CCOCC2)cc1 ZINC001492444770 1065499827 /nfs/dbraw/zinc/49/98/27/1065499827.db2.gz DXZIFSDMNCDKTO-KRWDZBQOSA-N 0 0 461.657 3.103 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCCc2nccs2)cc1 ZINC001492445985 1065500433 /nfs/dbraw/zinc/50/04/33/1065500433.db2.gz MXLNQTPRNYPGRD-UHFFFAOYSA-N 0 0 486.667 3.263 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2ccc(Cl)nc2)cc1 ZINC001492446947 1065500922 /nfs/dbraw/zinc/50/09/22/1065500922.db2.gz UCCBEJWZQSSWAU-UHFFFAOYSA-N 0 0 487.029 3.271 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001492446959 1065500964 /nfs/dbraw/zinc/50/09/64/1065500964.db2.gz UMQLYWINFXCDIG-UHFFFAOYSA-N 0 0 467.643 3.416 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)Cc3cnn(C)c3)n2CCCN2CCOC2=O)cc1 ZINC001492446854 1065501095 /nfs/dbraw/zinc/50/10/95/1065501095.db2.gz SOAICWMUJCGNOU-UHFFFAOYSA-N 0 0 455.588 3.091 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2C[C@H](C)N2CCOCC2)cc1 ZINC001492447100 1065501118 /nfs/dbraw/zinc/50/11/18/1065501118.db2.gz VSEONUJVDAITFM-IBGZPJMESA-N 0 0 453.616 3.026 20 0 JGADRN Cc1c(CN(C)c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)C2CC2)cnn1C ZINC001492446675 1065501188 /nfs/dbraw/zinc/50/11/88/1065501188.db2.gz RPWRHORAKAYMHQ-UHFFFAOYSA-N 0 0 453.616 3.083 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCN1CCOCC1 ZINC001492448342 1065501771 /nfs/dbraw/zinc/50/17/71/1065501771.db2.gz BFKFFOIZZCHTCS-UHFFFAOYSA-N 0 0 469.659 3.046 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001492448939 1065502340 /nfs/dbraw/zinc/50/23/40/1065502340.db2.gz NKFFPMLYVWSFNS-CVDCTZTESA-N 0 0 476.668 3.221 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001492449826 1065502849 /nfs/dbraw/zinc/50/28/49/1065502849.db2.gz YUXVQBPAJAKERY-RBUKOAKNSA-N 0 0 464.657 3.176 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001492449829 1065502879 /nfs/dbraw/zinc/50/28/79/1065502879.db2.gz YUXVQBPAJAKERY-RTBURBONSA-N 0 0 464.657 3.176 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@]2(O)CCSC2)cc1 ZINC001492449559 1065502984 /nfs/dbraw/zinc/50/29/84/1065502984.db2.gz VZEJXHFWWIROHD-OAQYLSRUSA-N 0 0 495.625 3.240 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2Cc2ncn(C)n2)cc1 ZINC001492452218 1065503372 /nfs/dbraw/zinc/50/33/72/1065503372.db2.gz FYACQNIKGOTHNE-GDBMZVCRSA-N 0 0 467.521 3.212 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2Cc2ncn(C)n2)cc1 ZINC001492452227 1065503498 /nfs/dbraw/zinc/50/34/98/1065503498.db2.gz FYACQNIKGOTHNE-ZBFHGGJFSA-N 0 0 467.521 3.212 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001492452190 1065503531 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COCCO[C@@H](C)c1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H]1CCc2nccn2C1 ZINC001302016407 1066364209 /nfs/dbraw/zinc/36/42/09/1066364209.db2.gz WHGNUJPJONKAEQ-DLBZAZTESA-N 0 0 479.423 3.340 20 0 JGADRN CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2COCCO2)C1 ZINC001302015970 1066364258 /nfs/dbraw/zinc/36/42/58/1066364258.db2.gz HTXFVJXRZMJULE-YLJYHZDGSA-N 0 0 476.021 3.393 20 0 JGADRN CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC001301536884 1066364480 /nfs/dbraw/zinc/36/44/80/1066364480.db2.gz SNPFZFBSWPOYQX-MYGHRHJXSA-N 0 0 452.577 3.129 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1Cc1nc(C(C)C)cs1 ZINC001302016316 1066364653 /nfs/dbraw/zinc/36/46/53/1066364653.db2.gz PTBUIZOJOKCKIB-IAGOWNOFSA-N 0 0 459.620 3.358 20 0 JGADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CC2)C1 ZINC001302016238 1066364716 /nfs/dbraw/zinc/36/47/16/1066364716.db2.gz QXMARLPCAPHMQM-SFHVURJKSA-N 0 0 460.022 3.426 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1Cc1nc(C(C)C)cs1 ZINC001302016321 1066365034 /nfs/dbraw/zinc/36/50/34/1066365034.db2.gz PTBUIZOJOKCKIB-SJORKVTESA-N 0 0 459.620 3.358 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@]1(C)CCCO1 ZINC001302016973 1066365965 /nfs/dbraw/zinc/36/59/65/1066365965.db2.gz RJPVMVMERNLKQZ-CLOONOSVSA-N 0 0 458.603 3.448 20 0 JGADRN COCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001301539115 1066366640 /nfs/dbraw/zinc/36/66/40/1066366640.db2.gz FRYWJWRZVKLRNX-SFHVURJKSA-N 0 0 453.008 3.213 20 0 JGADRN COCCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001301539180 1066367161 /nfs/dbraw/zinc/36/71/61/1066367161.db2.gz GMHCXVXVEIMNBD-LJQANCHMSA-N 0 0 459.591 3.207 20 0 JGADRN COCCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(C)(OC)C1 ZINC001301541105 1066368482 /nfs/dbraw/zinc/36/84/82/1066368482.db2.gz WQULJUALNWIPEC-UHFFFAOYSA-N 0 0 451.612 3.434 20 0 JGADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CCCCCO)C1 ZINC001302017820 1066368450 /nfs/dbraw/zinc/36/84/50/1066368450.db2.gz PFQHHHCRRILLAC-GOSISDBHSA-N 0 0 461.582 3.290 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCC(=O)N1CCCCC1 ZINC001302018397 1066368863 /nfs/dbraw/zinc/36/88/63/1066368863.db2.gz XZUQWWOLKLYRQN-FQEVSTJZSA-N 0 0 485.629 3.494 20 0 JGADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001302018476 1066369188 /nfs/dbraw/zinc/36/91/88/1066369188.db2.gz UZZKEUSQVMWBHG-SFHVURJKSA-N 0 0 478.601 3.191 20 0 JGADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(F)(F)F)C1 ZINC001302018480 1066369240 /nfs/dbraw/zinc/36/92/40/1066369240.db2.gz VBRWENUNRCHPDB-OAHLLOKOSA-N 0 0 472.556 3.120 20 0 JGADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cc4ccccc4o3)n2CCOCCCO)C1 ZINC001302019023 1066370253 /nfs/dbraw/zinc/37/02/53/1066370253.db2.gz YPCKUHVKBXQRFU-IBGZPJMESA-N 0 0 483.613 3.469 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001302020099 1066372127 /nfs/dbraw/zinc/37/21/27/1066372127.db2.gz RHHKQRLMSIJQGQ-UHFFFAOYSA-N 0 0 469.540 3.107 20 0 JGADRN CCOc1ccccc1[C@H](CC(=O)N[C@H]1CCO[C@H]1c1nc(C)no1)NC(=O)OC(C)(C)C ZINC001302020339 1066372170 /nfs/dbraw/zinc/37/21/70/1066372170.db2.gz ZYTURSSLPMNUPK-ABSDTBQOSA-N 0 0 460.531 3.379 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001302020422 1066372405 /nfs/dbraw/zinc/37/24/05/1066372405.db2.gz BQIUNYANEJABSM-NRFANRHFSA-N 0 0 466.561 3.143 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc21 ZINC001302020636 1066372495 /nfs/dbraw/zinc/37/24/95/1066372495.db2.gz FSJDFKYKKJPWER-UHFFFAOYSA-N 0 0 452.584 3.126 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001302020546 1066372526 /nfs/dbraw/zinc/37/25/26/1066372526.db2.gz YPBUOJSFJSMMSA-GOSISDBHSA-N 0 0 491.518 3.061 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001302020424 1066372589 /nfs/dbraw/zinc/37/25/89/1066372589.db2.gz BQIUNYANEJABSM-OAQYLSRUSA-N 0 0 466.561 3.143 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001302020664 1066373100 /nfs/dbraw/zinc/37/31/00/1066373100.db2.gz ZQNWQMLAKVLNGR-LJQANCHMSA-N 0 0 469.977 3.129 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(COc2ccc(Br)cc2)nnc1N1CCCOCC1 ZINC001302020665 1066373145 /nfs/dbraw/zinc/37/31/45/1066373145.db2.gz GFZRUKTXXGRJHM-UHFFFAOYSA-N 0 0 480.407 3.009 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001302021044 1066374056 /nfs/dbraw/zinc/37/40/56/1066374056.db2.gz RLGAYMVEBOMTRD-AREMUKBSSA-N 0 0 484.645 3.019 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCSC2(CCOCC2)C1 ZINC001302021264 1066374555 /nfs/dbraw/zinc/37/45/55/1066374555.db2.gz ZCUFBWXKNWTGBI-UHFFFAOYSA-N 0 0 491.633 3.261 20 0 JGADRN CC(C)(C)[C@]1(C)CN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)c2ccn[nH]2)CCO1 ZINC001302021706 1066374838 /nfs/dbraw/zinc/37/48/38/1066374838.db2.gz GLOJKYINOULJPY-QHCPKHFHSA-N 0 0 471.993 3.393 20 0 JGADRN CC(C)(C)C(=O)NCCn1c(N2CCCN(C(=O)CCc3ccccc3)CC2)nnc1C(C)(C)C ZINC001302021872 1066375312 /nfs/dbraw/zinc/37/53/12/1066375312.db2.gz JVAVAJNATPDOQP-UHFFFAOYSA-N 0 0 482.673 3.409 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001302022046 1066375331 /nfs/dbraw/zinc/37/53/31/1066375331.db2.gz AWRNNQBGBVRPBD-SLFFLAALSA-N 0 0 460.623 3.319 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1C[C@@]1(C)COCCO1 ZINC001302022030 1066375553 /nfs/dbraw/zinc/37/55/53/1066375553.db2.gz AQIWASQNVYGJFG-WWEVIYMKSA-N 0 0 462.566 3.016 20 0 JGADRN CC(C)(C)[C@]1(C)CN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 ZINC001302021796 1066375585 /nfs/dbraw/zinc/37/55/85/1066375585.db2.gz IKNIQSDIIXJEIA-SBUREZEXSA-N 0 0 474.993 3.228 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001302022516 1066376330 /nfs/dbraw/zinc/37/63/30/1066376330.db2.gz DUWKHECRAKHGGT-FPGHNAPASA-N 0 0 450.624 3.196 20 0 JGADRN COCCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001301548398 1066376940 /nfs/dbraw/zinc/37/69/40/1066376940.db2.gz RQQHUPCNHUJBJV-RTWAWAEBSA-N 0 0 455.603 3.253 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001302022971 1066377231 /nfs/dbraw/zinc/37/72/31/1066377231.db2.gz CKKIMZWJODIPQQ-NUJGCVRESA-N 0 0 488.555 3.290 20 0 JGADRN COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001301550202 1066378097 /nfs/dbraw/zinc/37/80/97/1066378097.db2.gz MSWOMOIGZAGUED-RBUKOAKNSA-N 0 0 478.638 3.070 20 0 JGADRN COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001301550200 1066378218 /nfs/dbraw/zinc/37/82/18/1066378218.db2.gz MSWOMOIGZAGUED-MOPGFXCFSA-N 0 0 478.638 3.070 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1C[C@]1(C)CCCS1 ZINC001302023595 1066378642 /nfs/dbraw/zinc/37/86/42/1066378642.db2.gz HCHBIHRWXMRKDB-MBSDFSHPSA-N 0 0 465.664 3.269 20 0 JGADRN COCCCCCn1c(N2CCN(CC(=O)N3CCc4ccccc43)CC2)nnc1C(C)(C)C ZINC001301550837 1066378570 /nfs/dbraw/zinc/37/85/70/1066378570.db2.gz SEEUPYXTUDBGDV-UHFFFAOYSA-N 0 0 468.646 3.104 20 0 JGADRN COCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001301551352 1066378996 /nfs/dbraw/zinc/37/89/96/1066378996.db2.gz BPRXYHGBOMYXEH-HXUWFJFHSA-N 0 0 463.648 3.494 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 ZINC001302023930 1066379241 /nfs/dbraw/zinc/37/92/41/1066379241.db2.gz IZDCCVWBAIUZFA-OAWZGRKZSA-N 0 0 493.649 3.311 20 0 JGADRN COCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001301551965 1066379432 /nfs/dbraw/zinc/37/94/32/1066379432.db2.gz KJWWDFVKWRWKMR-UHFFFAOYSA-N 0 0 478.395 3.081 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCc1ccc(F)cc1C ZINC001302024010 1066379590 /nfs/dbraw/zinc/37/95/90/1066379590.db2.gz JWDUAYLTEOHTAO-LJQANCHMSA-N 0 0 488.608 3.076 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCc1ccc(F)cc1C ZINC001302024008 1066379791 /nfs/dbraw/zinc/37/97/91/1066379791.db2.gz JWDUAYLTEOHTAO-IBGZPJMESA-N 0 0 488.608 3.076 20 0 JGADRN Cn1ncc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1Cl ZINC001301552262 1066380014 /nfs/dbraw/zinc/38/00/14/1066380014.db2.gz XQOVPQTYRWYMBD-AWEZNQCLSA-N 0 0 450.927 3.381 20 0 JGADRN Cn1ncc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c1Cl ZINC001301552263 1066380184 /nfs/dbraw/zinc/38/01/84/1066380184.db2.gz XQOVPQTYRWYMBD-CQSZACIVSA-N 0 0 450.927 3.381 20 0 JGADRN CC(C)c1ccc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c(O)c1 ZINC001301552277 1066380241 /nfs/dbraw/zinc/38/02/41/1066380241.db2.gz XTLAFXZDOKLJHI-UHFFFAOYSA-N 0 0 450.583 3.211 20 0 JGADRN COCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001301552495 1066380689 /nfs/dbraw/zinc/38/06/89/1066380689.db2.gz XVGWVXQEXBVWSQ-SFHVURJKSA-N 0 0 487.992 3.364 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 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LRARVOKSUQKELA-KRWDZBQOSA-N 0 0 483.432 3.005 20 0 JGADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CC(F)C3)n2CCC(=O)N2CCOCC2)c1C ZINC001304016307 1067059802 /nfs/dbraw/zinc/05/98/02/1067059802.db2.gz VSTSQNSTFYKDAQ-MWXLCCTBSA-N 0 0 473.593 3.468 20 0 JGADRN CS(=O)(=O)CCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001302457560 1067059954 /nfs/dbraw/zinc/05/99/54/1067059954.db2.gz AWZNASOHINHCGX-ICSRJNTNSA-N 0 0 450.580 3.163 20 0 JGADRN CS(=O)(=O)CCN(c1nnc([C@@H]2CCOC2)n1CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC001302457299 1067059976 /nfs/dbraw/zinc/05/99/76/1067059976.db2.gz TVMHRVRXELCQNI-HWOWSKLDSA-N 0 0 464.554 3.164 20 0 JGADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(=O)NC(C)C)n2Cc2ncnn2C(C)(C)C)c1C ZINC001304016713 1067060044 /nfs/dbraw/zinc/06/00/44/1067060044.db2.gz ZSFOHTLEQVVBCM-IBGZPJMESA-N 0 0 482.633 3.391 20 0 JGADRN CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1coc(-c2ccccc2)n1 ZINC001302457715 1067060547 /nfs/dbraw/zinc/06/05/47/1067060547.db2.gz BBGWRYQQBCPLIK-IBGZPJMESA-N 0 0 452.559 3.084 20 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CS(=O)(=O)CCCn1c(CCOc2ccccc2)nnc1N1CCC(c2nccs2)CC1 ZINC001302460250 1067063602 /nfs/dbraw/zinc/06/36/02/1067063602.db2.gz VFHCAIKSXSSYSZ-UHFFFAOYSA-N 0 0 475.640 3.175 20 0 JGADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)c1C ZINC001304019997 1067063963 /nfs/dbraw/zinc/06/39/63/1067063963.db2.gz QYWGTADFGYPPDY-UXHICEINSA-N 0 0 476.643 3.475 20 0 JGADRN CS(=O)(=O)CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OCC(F)(F)F)C1CC1 ZINC001302460684 1067063864 /nfs/dbraw/zinc/06/38/64/1067063864.db2.gz LWTASMDJPPJIEF-UHFFFAOYSA-N 0 0 495.527 3.343 20 0 JGADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCC(C)(C)O)c1C ZINC001304019979 1067063992 /nfs/dbraw/zinc/06/39/92/1067063992.db2.gz QQQGYTHZDNIOMJ-VAMGGRTRSA-N 0 0 455.603 3.443 20 0 JGADRN CC(C)C(=O)NCCN(C)c1nnc(Cn2ccc3ccccc32)n1Cc1nccn1C(F)F ZINC001302461277 1067064281 /nfs/dbraw/zinc/06/42/81/1067064281.db2.gz UDKQEHDZRLLLIM-UHFFFAOYSA-N 0 0 470.528 3.129 20 0 JGADRN CC(C)C(=O)NCCN(C)c1nnc(Cn2ccc3ccccc32)n1CC(F)(F)Br ZINC001302461375 1067064619 /nfs/dbraw/zinc/06/46/19/1067064619.db2.gz VJSBRTCMMIVHOX-UHFFFAOYSA-N 0 0 483.361 3.477 20 0 JGADRN CC(C)C(=O)NCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(C)C)CC1 ZINC001302461353 1067064808 /nfs/dbraw/zinc/06/48/08/1067064808.db2.gz VQFRTJXNUHOXMS-LJQANCHMSA-N 0 0 492.665 3.231 20 0 JGADRN CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1C(F)(F)F ZINC001302461892 1067065002 /nfs/dbraw/zinc/06/50/02/1067065002.db2.gz YOXKRFOIVIHGOQ-KRWDZBQOSA-N 0 0 453.509 3.448 20 0 JGADRN CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccn2)n1C[C@](C)(O)c1ccccc1Cl ZINC001302461933 1067065076 /nfs/dbraw/zinc/06/50/76/1067065076.db2.gz YZSKQIVGRAIGLN-DEOSSOPVSA-N 0 0 471.005 3.033 20 0 JGADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n2CCCCCO)c1C ZINC001304020927 1067065477 /nfs/dbraw/zinc/06/54/77/1067065477.db2.gz QIPRZFOTMZYQAZ-NIYFSFCBSA-N 0 0 498.628 3.012 20 0 JGADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](C(C)C)N2CCOCC2)c1C ZINC001304021832 1067065953 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CSCC[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1c(C)cccc1C ZINC001302727565 1067343384 /nfs/dbraw/zinc/34/33/84/1067343384.db2.gz RFYRIWWWOUBTDF-RTBURBONSA-N 0 0 466.673 3.454 20 0 JGADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2cnn(Cc3ccccc3)c2)o1 ZINC001304294206 1067343485 /nfs/dbraw/zinc/34/34/85/1067343485.db2.gz MIWNGCVLJOBKHB-KRWDZBQOSA-N 0 0 468.583 3.009 20 0 JGADRN CSCC[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001302727793 1067343625 /nfs/dbraw/zinc/34/36/25/1067343625.db2.gz TXHYTNQXMCPEJI-WSTZPKSXSA-N 0 0 459.664 3.455 20 0 JGADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@@]2(O)CCSC2)o1 ZINC001304295024 1067344119 /nfs/dbraw/zinc/34/41/19/1067344119.db2.gz BASZKZBDDFSRJU-NRFANRHFSA-N 0 0 463.510 3.068 20 0 JGADRN CC(C)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC001302729689 1067344411 /nfs/dbraw/zinc/34/44/11/1067344411.db2.gz QRJSKNQIYNCLQD-OALUTQOASA-N 0 0 453.566 3.034 20 0 JGADRN 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CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001302732520 1067346899 /nfs/dbraw/zinc/34/68/99/1067346899.db2.gz WACKIAYDFAWUGS-GJZGRUSLSA-N 0 0 451.497 3.153 20 0 JGADRN CSCC[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001302732861 1067346943 /nfs/dbraw/zinc/34/69/43/1067346943.db2.gz ZHDUJRZYLDDAOI-SJORKVTESA-N 0 0 468.668 3.234 20 0 JGADRN CSCC[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1CCS(=O)(=O)CC1 ZINC001302732881 1067347288 /nfs/dbraw/zinc/34/72/88/1067347288.db2.gz ZPRUPKGMHJHMDB-CQSZACIVSA-N 0 0 457.691 3.036 20 0 JGADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2C[C@@]2(C)COCCO2)cc1Br ZINC001304298050 1067347491 /nfs/dbraw/zinc/34/74/91/1067347491.db2.gz IFVLVGNJCMXLHB-UZLBHIALSA-N 0 0 451.365 3.047 20 0 JGADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2CCc2ccn(C)n2)o1 ZINC001304298062 1067347658 /nfs/dbraw/zinc/34/76/58/1067347658.db2.gz SVZLRSFHDCZYGK-KRWDZBQOSA-N 0 0 468.583 3.424 20 0 JGADRN 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CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001302791411 1067382512 /nfs/dbraw/zinc/38/25/12/1067382512.db2.gz MUVYVZGDOGJYMR-QUCCMNQESA-N 0 0 455.607 3.031 20 0 JGADRN Cc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)c(C)c1 ZINC001304336936 1067382554 /nfs/dbraw/zinc/38/25/54/1067382554.db2.gz STQGDPDZJBEUQA-LJQANCHMSA-N 0 0 464.536 3.163 20 0 JGADRN Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3[nH]2)o1 ZINC001304337006 1067382646 /nfs/dbraw/zinc/38/26/46/1067382646.db2.gz AIPHYENNKMDGHH-INIZCTEOSA-N 0 0 456.572 3.150 20 0 JGADRN Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3cccnc32)o1 ZINC001304337053 1067382771 /nfs/dbraw/zinc/38/27/71/1067382771.db2.gz BNGGUUMVHUIOMQ-INIZCTEOSA-N 0 0 454.556 3.023 20 0 JGADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001302791722 1067382817 /nfs/dbraw/zinc/38/28/17/1067382817.db2.gz BBTFSQTUAYAGQT-CTNGQTDRSA-N 0 0 494.562 3.220 20 0 JGADRN 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20 0 JGADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)s1 ZINC001304642365 1067711229 /nfs/dbraw/zinc/71/12/29/1067711229.db2.gz SXKSAKOLPZUVEL-HIFRSBDPSA-N 0 0 458.563 3.346 20 0 JGADRN Cc1nc(C)c(CCn2c([C@H]3CCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001304642955 1067711457 /nfs/dbraw/zinc/71/14/57/1067711457.db2.gz VVKXBKCNHWWGSS-HNNXBMFYSA-N 0 0 457.522 3.446 20 0 JGADRN CC(C)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1=O ZINC001303178636 1067712020 /nfs/dbraw/zinc/71/20/20/1067712020.db2.gz RFEBFJROHMNPSO-KRWDZBQOSA-N 0 0 450.628 3.041 20 0 JGADRN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(C)(C)C)[C@H](C)C1=O ZINC001303178679 1067712039 /nfs/dbraw/zinc/71/20/39/1067712039.db2.gz SPANVHBSESVXRE-GOSISDBHSA-N 0 0 455.607 3.445 20 0 JGADRN Cc1nc(C)c(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)s1 ZINC001304643355 1067712008 /nfs/dbraw/zinc/71/20/08/1067712008.db2.gz CEQNWRZMYQUDMN-UHFFFAOYSA-N 0 0 479.603 3.131 20 0 JGADRN CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1=O ZINC001303178733 1067712112 /nfs/dbraw/zinc/71/21/12/1067712112.db2.gz URNJPANVFWUKJL-UHFFFAOYSA-N 0 0 479.528 3.259 20 0 JGADRN Cc1nc(C)c(Cn2c(CN3CCCC3=O)nnc2N(C)CCCOc2ccccc2)s1 ZINC001304643806 1067712646 /nfs/dbraw/zinc/71/26/46/1067712646.db2.gz FRPJYOOMQGQHDT-UHFFFAOYSA-N 0 0 454.600 3.427 20 0 JGADRN Cc1nc(C)c(CCn2c(-c3cccn3C)nnc2N2CCC(NC(=O)C(C)C)CC2)s1 ZINC001304643655 1067712696 /nfs/dbraw/zinc/71/26/96/1067712696.db2.gz XQULMGOHLNCWGN-UHFFFAOYSA-N 0 0 455.632 3.341 20 0 JGADRN Cc1nc([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4F)n3C[C@@](C)(O)C(C)C)CCO2)no1 ZINC001304645399 1067713930 /nfs/dbraw/zinc/71/39/30/1067713930.db2.gz GYGPBGZYHFTPLQ-LAUBAEHRSA-N 0 0 464.929 3.414 20 0 JGADRN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC001304645483 1067714005 /nfs/dbraw/zinc/71/40/05/1067714005.db2.gz LIQDOKGCDSWLMF-OPJGWUQDSA-N 0 0 450.535 3.038 20 0 JGADRN CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cccnc2OCC(F)F)[C@@H](C)C1=O ZINC001303181996 1067714018 /nfs/dbraw/zinc/71/40/18/1067714018.db2.gz CIXIJPJCDBKCPF-INIZCTEOSA-N 0 0 464.561 3.356 20 0 JGADRN CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)OCCCO3)[C@H](C)C1=O ZINC001303182029 1067714093 /nfs/dbraw/zinc/71/40/93/1067714093.db2.gz CYQANTAZLJRGAG-GOSISDBHSA-N 0 0 455.603 3.478 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2)[C@@H](C)C1=O ZINC001303182197 1067714366 /nfs/dbraw/zinc/71/43/66/1067714366.db2.gz IMTZMLYTXRXMQH-ROUUACIJSA-N 0 0 469.565 3.032 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)[C@@H](C)C1=O ZINC001303182861 1067714945 /nfs/dbraw/zinc/71/49/45/1067714945.db2.gz DZCVQVOASYLXFT-RDJZCZTQSA-N 0 0 482.412 3.360 20 0 JGADRN Cc1nc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCO2)no1 ZINC001304647339 1067715133 /nfs/dbraw/zinc/71/51/33/1067715133.db2.gz ZNQGWWUZFAVTHZ-IAGOWNOFSA-N 0 0 477.610 3.394 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCO2)[C@H](C)C1=O ZINC001303183058 1067715327 /nfs/dbraw/zinc/71/53/27/1067715327.db2.gz PHZDHQSNFHIJKT-LVCYWYKZSA-N 0 0 459.566 3.429 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCSC(F)(F)F)cs1 ZINC001304647572 1067715434 /nfs/dbraw/zinc/71/54/34/1067715434.db2.gz AYFDLWSAPFDVBU-QWRGUYRKSA-N 0 0 471.596 3.145 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)C)n2Cc2cc(Br)cs2)cs1 ZINC001304648099 1067715772 /nfs/dbraw/zinc/71/57/72/1067715772.db2.gz IKHIMXJJAMRXFC-UHFFFAOYSA-N 0 0 483.461 3.467 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)n2C[C@]2(C)COCCO2)cs1 ZINC001304647830 1067715839 /nfs/dbraw/zinc/71/58/39/1067715839.db2.gz DRQLHWCYLMHMFE-AVRWGWEMSA-N 0 0 498.653 3.095 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CCc2ccsc2)cs1 ZINC001304648327 1067716032 /nfs/dbraw/zinc/71/60/32/1067716032.db2.gz FLZULSBIFVJFQN-UONOGXRCSA-N 0 0 453.659 3.196 20 0 JGADRN Cc1nc([C@H]2CN(c3nnc(Cc4ccsc4)n3CCSCC(F)(F)F)CCO2)no1 ZINC001304648745 1067716058 /nfs/dbraw/zinc/71/60/58/1067716058.db2.gz FOVNRCHSDOKZOQ-CQSZACIVSA-N 0 0 474.534 3.495 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@H]2CC=CCO2)cs1 ZINC001304648188 1067716102 /nfs/dbraw/zinc/71/61/02/1067716102.db2.gz KGHWUJYDNFMMCQ-LJQANCHMSA-N 0 0 474.537 3.332 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@H]2CCOC2)cs1 ZINC001304648218 1067716140 /nfs/dbraw/zinc/71/61/40/1067716140.db2.gz DDLIAUDNKGAGDI-NVXWUHKLSA-N 0 0 475.640 3.271 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H]3CCSC3)n2CCS(=O)(=O)Cc2ccccc2)cs1 ZINC001304648478 1067716528 /nfs/dbraw/zinc/71/65/28/1067716528.db2.gz MHJPDNWMRXWRNF-IBGZPJMESA-N 0 0 477.681 3.191 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2CC2(C)COC2)cs1 ZINC001304648894 1067716792 /nfs/dbraw/zinc/71/67/92/1067716792.db2.gz HGDINNDDAMVUEI-HNNXBMFYSA-N 0 0 475.640 3.271 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H](C)c2ccc(F)cc2)cs1 ZINC001304648958 1067716835 /nfs/dbraw/zinc/71/68/35/1067716835.db2.gz BAVYKFROBBIHFQ-CABCVRRESA-N 0 0 465.620 3.446 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2cc(COC(C)(C)C)on2)cs1 ZINC001304649335 1067717095 /nfs/dbraw/zinc/71/70/95/1067717095.db2.gz RRIKAKFAWOPJLQ-UHFFFAOYSA-N 0 0 489.646 3.336 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC(F)F)[C@H](C)C1=O ZINC001303184194 1067717358 /nfs/dbraw/zinc/71/73/58/1067717358.db2.gz JSKVXXFDCFTRNO-CYBMUJFWSA-N 0 0 489.365 3.011 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2Cc2cnn(CC(C)C)c2C)cs1 ZINC001304649921 1067717450 /nfs/dbraw/zinc/71/74/50/1067717450.db2.gz IXVNZHKICGMLTF-WBVHZDCISA-N 0 0 493.703 3.101 20 0 JGADRN CC(C)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1=O ZINC001303184646 1067718086 /nfs/dbraw/zinc/71/80/86/1067718086.db2.gz YKCYAMACQBGKGQ-SFHVURJKSA-N 0 0 462.639 3.280 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CC(C)(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)cs1 ZINC001304650389 1067718215 /nfs/dbraw/zinc/71/82/15/1067718215.db2.gz XQZKEDNNTDLKKA-UHFFFAOYSA-N 0 0 462.645 3.006 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCN(C)CC(F)(F)F)cs1 ZINC001304650383 1067718323 /nfs/dbraw/zinc/71/83/23/1067718323.db2.gz JRLMGZTUNGUMEI-UHFFFAOYSA-N 0 0 470.569 3.115 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cccc(F)c2)CC1=O ZINC001303184805 1067718414 /nfs/dbraw/zinc/71/84/14/1067718414.db2.gz POTWOPUSUFQGJM-AREMUKBSSA-N 0 0 487.620 3.395 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCc2cc3ccccc3o2)cs1 ZINC001304650743 1067718639 /nfs/dbraw/zinc/71/86/39/1067718639.db2.gz IZSILTPVDWIZIY-HNNXBMFYSA-N 0 0 473.624 3.492 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@@H]3CCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001304650796 1067718709 /nfs/dbraw/zinc/71/87/09/1067718709.db2.gz JFVWBSYGSBDXHP-CRAIPNDOSA-N 0 0 464.636 3.362 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccccc2F)[C@H](C)C1=O ZINC001303184810 1067718872 /nfs/dbraw/zinc/71/88/72/1067718872.db2.gz PQKUQCCKVFUBDX-FQRUVTKNSA-N 0 0 487.620 3.394 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2CC(=O)N(C)C2CCCCC2)cs1 ZINC001304651043 1067719042 /nfs/dbraw/zinc/71/90/42/1067719042.db2.gz NITUIEWQTUYKAH-UHFFFAOYSA-N 0 0 484.674 3.412 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCc2cnn(C)n2)[C@H](C)C1=O ZINC001303184964 1067719288 /nfs/dbraw/zinc/71/92/88/1067719288.db2.gz QTOVFPCXAHMKPY-QGZVFWFLSA-N 0 0 471.009 3.053 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H]3CCOC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)cs1 ZINC001304651769 1067719491 /nfs/dbraw/zinc/71/94/91/1067719491.db2.gz NQNVJZXJMCGQPS-HNNXBMFYSA-N 0 0 472.562 3.019 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(F)cn2)CC1=O ZINC001303185129 1067719629 /nfs/dbraw/zinc/71/96/29/1067719629.db2.gz UIAIQWLWECOYNY-KRWDZBQOSA-N 0 0 470.524 3.444 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CCC(=O)N2CCOCC2)cs1 ZINC001304652037 1067719834 /nfs/dbraw/zinc/71/98/34/1067719834.db2.gz MOXIYTDWLGRRID-OAHLLOKOSA-N 0 0 490.580 3.358 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2CC2(C(N)=O)CCOCC2)cs1 ZINC001304652316 1067720121 /nfs/dbraw/zinc/72/01/21/1067720121.db2.gz ITRYFMFOJFCYOU-UHFFFAOYSA-N 0 0 475.018 3.206 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3ccc4c(c3)OCO4)n2CCCNC(=O)C(C)C)cs1 ZINC001304652717 1067720436 /nfs/dbraw/zinc/72/04/36/1067720436.db2.gz LSJKXIUMUHDIFJ-UHFFFAOYSA-N 0 0 470.599 3.161 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccccc3F)n2CC(=O)N(C)C2CCCCC2)CC1=O ZINC001303185527 1067720963 /nfs/dbraw/zinc/72/09/63/1067720963.db2.gz FPXYMBPFUOWYEO-UHFFFAOYSA-N 0 0 470.593 3.180 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3ccc4c(c3)OCO4)n2CCC(=O)NC(C)(C)C)cs1 ZINC001304653129 1067721122 /nfs/dbraw/zinc/72/11/22/1067721122.db2.gz OEOPKSPHDOZCGY-UHFFFAOYSA-N 0 0 470.599 3.304 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCOc2ccc(Cl)cc2)cs1 ZINC001304653233 1067721133 /nfs/dbraw/zinc/72/11/33/1067721133.db2.gz WXPMGRPLHSUFJB-CQSZACIVSA-N 0 0 484.047 3.236 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2CC(=O)NCc2ccco2)cs1 ZINC001304653172 1067721169 /nfs/dbraw/zinc/72/11/69/1067721169.db2.gz PWMLMVZYJASFCE-UHFFFAOYSA-N 0 0 472.521 3.458 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)C(C)(C)C)[C@H](C)C1=O ZINC001303185818 1067721267 /nfs/dbraw/zinc/72/12/67/1067721267.db2.gz NTLHPFXYJFHHON-QGZVFWFLSA-N 0 0 475.037 3.454 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CC[C@H]2CCCCO2)cs1 ZINC001304653441 1067721382 /nfs/dbraw/zinc/72/13/82/1067721382.db2.gz UMKARSQGJKGSQB-HXUWFJFHSA-N 0 0 454.600 3.328 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCOC(C)(C)C2)[C@H](C)C1=O ZINC001303186006 1067721590 /nfs/dbraw/zinc/72/15/90/1067721590.db2.gz SYCKNNXGUIYXJZ-LJQANCHMSA-N 0 0 489.064 3.402 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1=O ZINC001303185996 1067721606 /nfs/dbraw/zinc/72/16/06/1067721606.db2.gz SPBVYGGHCAYUNH-MRXNPFEDSA-N 0 0 499.969 3.182 20 0 JGADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)cs1 ZINC001304653942 1067722111 /nfs/dbraw/zinc/72/21/11/1067722111.db2.gz VEXXHBJHYRVHRU-CRAIPNDOSA-N 0 0 492.646 3.394 20 0 JGADRN CC(C)CN1CCN(c2nnc(C3CC3)n2Cc2ccnc(OCC(F)(F)F)c2)[C@@H](C)C1=O ZINC001303188127 1067722307 /nfs/dbraw/zinc/72/23/07/1067722307.db2.gz ATLICAVJGCBRJI-HNNXBMFYSA-N 0 0 466.508 3.233 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)Oc2ccccc2F)CC1=O ZINC001303188474 1067722710 /nfs/dbraw/zinc/72/27/10/1067722710.db2.gz JTEUWFGUPSZRHA-GOSISDBHSA-N 0 0 454.550 3.195 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3cnn(C)c3)n2C[C@@](C)(O)c2ccc(F)cc2)cs1 ZINC001304654385 1067722895 /nfs/dbraw/zinc/72/28/95/1067722895.db2.gz MEFYCZMEMNNCEH-JOCHJYFZSA-N 0 0 455.563 3.051 20 0 JGADRN Cc1nc(Cc2nnc(N(C)Cc3cnccn3)n2C[C@](C)(O)c2ccc(F)cc2)cs1 ZINC001304655314 1067723487 /nfs/dbraw/zinc/72/34/87/1067723487.db2.gz WMIACGGTWWQUSW-QFIPXVFZSA-N 0 0 453.547 3.107 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)cs1 ZINC001304655316 1067723601 /nfs/dbraw/zinc/72/36/01/1067723601.db2.gz WBERVFHCCNYAEP-QGZVFWFLSA-N 0 0 458.554 3.133 20 0 JGADRN CC(C)CN1CCN(c2nnc(C3CCC3)n2Cc2ccc(C[S@@](C)=O)cc2)[C@H](C)C1=O ZINC001303189452 1067723814 /nfs/dbraw/zinc/72/38/14/1067723814.db2.gz DMYVKHHBMQXAHG-ZUQCGGBESA-N 0 0 457.644 3.166 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2Cc2ccc(-n3cncn3)nc2)cs1 ZINC001304655692 1067723846 /nfs/dbraw/zinc/72/38/46/1067723846.db2.gz GNISYMBSQFAGAA-UHFFFAOYSA-N 0 0 463.493 3.046 20 0 JGADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCOC3)n2CC2CCN(CC(F)(F)F)CC2)cs1 ZINC001304656053 1067724092 /nfs/dbraw/zinc/72/40/92/1067724092.db2.gz NYGAFISUKNXIJJ-KRWDZBQOSA-N 0 0 472.581 3.381 20 0 JGADRN CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CCc2ccccc2Cl)[C@@H](C)C1=O ZINC001303190380 1067724632 /nfs/dbraw/zinc/72/46/32/1067724632.db2.gz WZUPBMRWIZLFKE-KRWDZBQOSA-N 0 0 453.978 3.324 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CCCOc3ccccc3C)n2C[C@@H]2COCCO2)cs1 ZINC001304656423 1067725029 /nfs/dbraw/zinc/72/50/29/1067725029.db2.gz LAOKQIBMZOPSOG-HXUWFJFHSA-N 0 0 457.600 3.263 20 0 JGADRN Cc1nc(Cc2nnc(N(C)CCNC(=O)C(C)C)n2CC(=O)Nc2c(C)cccc2C)cs1 ZINC001304656729 1067725187 /nfs/dbraw/zinc/72/51/87/1067725187.db2.gz OVJMHWGKFSKVBP-UHFFFAOYSA-N 0 0 483.642 3.098 20 0 JGADRN CC(C)CN1CCN(c2nnc(C3CCC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H](C)C1=O ZINC001303191060 1067725346 /nfs/dbraw/zinc/72/53/46/1067725346.db2.gz SMEJEXJOOMRKIP-ROUUACIJSA-N 0 0 462.639 3.494 20 0 JGADRN Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H](C)Sc2ccccc2)cs1 ZINC001304657566 1067726261 /nfs/dbraw/zinc/72/62/61/1067726261.db2.gz BVGZFLHMPGTKPD-HZPDHXFCSA-N 0 0 456.641 3.482 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N(C)c2ccccc2)CC1=O ZINC001303192064 1067726386 /nfs/dbraw/zinc/72/63/86/1067726386.db2.gz MBNPHACIYINXQT-SFTDATJTSA-N 0 0 454.619 3.002 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1=O ZINC001303192301 1067726648 /nfs/dbraw/zinc/72/66/48/1067726648.db2.gz QOUFGNHQJKYHBA-RBUKOAKNSA-N 0 0 459.566 3.083 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccnc2)C(C)C)[C@H](C)C1=O ZINC001303192537 1067727016 /nfs/dbraw/zinc/72/70/16/1067727016.db2.gz VFCIYVXAHGOGGQ-FCEUIQTBSA-N 0 0 454.619 3.310 20 0 JGADRN CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001303192677 1067727026 /nfs/dbraw/zinc/72/70/26/1067727026.db2.gz YGJVGFAWFTZRDW-IBGZPJMESA-N 0 0 462.639 3.353 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2cccc(C(F)(F)F)n2)CC1=O ZINC001303192532 1067727034 /nfs/dbraw/zinc/72/70/34/1067727034.db2.gz VCNHQLTZDTXWSZ-KRWDZBQOSA-N 0 0 496.534 3.317 20 0 JGADRN CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(F)cc(F)c(F)c2F)[C@@H](C)C1=O ZINC001303192733 1067727404 /nfs/dbraw/zinc/72/74/04/1067727404.db2.gz ZARDFXGGXJISBH-UONOGXRCSA-N 0 0 469.483 3.080 20 0 JGADRN Cc1nc(Cc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@@H](C)c2ccccc2)cs1 ZINC001304660084 1067728096 /nfs/dbraw/zinc/72/80/96/1067728096.db2.gz RRYQPYRGPWGGLQ-MRXNPFEDSA-N 0 0 459.641 3.451 20 0 JGADRN Cc1nc(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C(C)(F)F)cc2)cs1 ZINC001304660779 1067728654 /nfs/dbraw/zinc/72/86/54/1067728654.db2.gz VOXMSKOSSDNLDK-CQSZACIVSA-N 0 0 460.554 3.461 20 0 JGADRN Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CCN2CCCS2(=O)=O)cs1 ZINC001304661054 1067728794 /nfs/dbraw/zinc/72/87/94/1067728794.db2.gz YLTCWTDHSJAOCH-UHFFFAOYSA-N 0 0 492.646 3.223 20 0 JGADRN Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCc2ccc(F)cc2Cl)cs1 ZINC001304661280 1067728987 /nfs/dbraw/zinc/72/89/87/1067728987.db2.gz DEPZEXYXPHCGME-OAQYLSRUSA-N 0 0 462.982 3.371 20 0 JGADRN CC(C)CN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC[C@@H](O)C2)CC1=O ZINC001303196140 1067729445 /nfs/dbraw/zinc/72/94/45/1067729445.db2.gz QZCWFHKHVXGJQE-XZOQPEGZSA-N 0 0 453.631 3.309 20 0 JGADRN Cc1nc(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2Cc2c(C)noc2C)cs1 ZINC001304663354 1067729898 /nfs/dbraw/zinc/72/98/98/1067729898.db2.gz TZXOLUGVXLLTIU-MGPLVRAMSA-N 0 0 456.494 3.443 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCc2nccnc2C)cs1 ZINC001304663794 1067730259 /nfs/dbraw/zinc/73/02/59/1067730259.db2.gz LCRUWGJACZYYTF-UHFFFAOYSA-N 0 0 482.658 3.058 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001304663779 1067730262 /nfs/dbraw/zinc/73/02/62/1067730262.db2.gz KWKRRBDCHORVCZ-CQSZACIVSA-N 0 0 475.018 3.456 20 0 JGADRN Cc1nc(Cc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[C@@H](C(F)F)N2CCOCC2)cs1 ZINC001304663717 1067730390 /nfs/dbraw/zinc/73/03/90/1067730390.db2.gz VQNOEORQIAHKHF-MPGHIAIKSA-N 0 0 486.658 3.320 20 0 JGADRN CC(C)CN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOCC(F)F)[C@H](C)C1=O ZINC001303196540 1067730527 /nfs/dbraw/zinc/73/05/27/1067730527.db2.gz WEWLJFYZYUNLRP-GOSISDBHSA-N 0 0 474.556 3.256 20 0 JGADRN Cc1nc(Cc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@H]2CC[C@H](F)C2)cs1 ZINC001304664069 1067730707 /nfs/dbraw/zinc/73/07/07/1067730707.db2.gz LXRNFBHOSCACBJ-KKUMJFAQSA-N 0 0 474.528 3.277 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2Cc2nccs2)cs1 ZINC001304664661 1067730999 /nfs/dbraw/zinc/73/09/99/1067730999.db2.gz QTBRHBFFZPWTOW-UHFFFAOYSA-N 0 0 456.519 3.486 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CC2(O)CC2)cs1 ZINC001304664753 1067731010 /nfs/dbraw/zinc/73/10/10/1067731010.db2.gz XLNCYDXDUWRWEV-UHFFFAOYSA-N 0 0 462.620 3.042 20 0 JGADRN CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1=O ZINC001303196933 1067731115 /nfs/dbraw/zinc/73/11/15/1067731115.db2.gz QEJAEJCDCAUKNT-LJQANCHMSA-N 0 0 466.561 3.175 20 0 JGADRN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CCCS(=O)(=O)Cc2ccccc2)CC1=O ZINC001303196742 1067731120 /nfs/dbraw/zinc/73/11/20/1067731120.db2.gz KTQAMFBMKDTYNO-UHFFFAOYSA-N 0 0 489.686 3.176 20 0 JGADRN CC(C)CN1CCN(c2nnc(CCOc3ccccc3)n2CC2(C)CCOCC2)[C@H](C)C1=O ZINC001303196807 1067731222 /nfs/dbraw/zinc/73/12/22/1067731222.db2.gz YDBDXTWKOXACLN-OAQYLSRUSA-N 0 0 469.630 3.409 20 0 JGADRN Cc1nc(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001304664839 1067731318 /nfs/dbraw/zinc/73/13/18/1067731318.db2.gz YWNUKNSDJPIMMZ-NRFANRHFSA-N 0 0 480.516 3.124 20 0 JGADRN O=C(CCCOc1ccc(I)cc1)NCCc1ccc(O)c(CO)c1 ZINC001303197168 1067731502 /nfs/dbraw/zinc/73/15/02/1067731502.db2.gz BXMAAMFYPSRJOK-UHFFFAOYSA-N 0 0 455.292 3.007 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCSCCCO)cs1 ZINC001304665125 1067731977 /nfs/dbraw/zinc/73/19/77/1067731977.db2.gz ZCGRRDDXXJXNNT-IBGZPJMESA-N 0 0 493.621 3.279 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2Cc2sc(C)nc2C)cs1 ZINC001304665648 1067732589 /nfs/dbraw/zinc/73/25/89/1067732589.db2.gz HDYAJTQXBSWZMK-UHFFFAOYSA-N 0 0 473.672 3.496 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCc2nccs2)cs1 ZINC001304665652 1067732633 /nfs/dbraw/zinc/73/26/33/1067732633.db2.gz HFFRTOSMPLXBKZ-UHFFFAOYSA-N 0 0 473.672 3.464 20 0 JGADRN CC(C)CN1CCN(c2nnc(Cc3ccccn3)n2CCSCC(F)(F)F)[C@H](C)C1=O ZINC001303197850 1067732597 /nfs/dbraw/zinc/73/25/97/1067732597.db2.gz ZKKODJXTKYPEHK-MRXNPFEDSA-N 0 0 470.565 3.253 20 0 JGADRN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)[C@@H](C)C1=O ZINC001303198080 1067732978 /nfs/dbraw/zinc/73/29/78/1067732978.db2.gz XSNGCGFVLINSQW-SFHVURJKSA-N 0 0 475.037 3.130 20 0 JGADRN Cc1nc(Cc2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CCSC(F)(F)F)cs1 ZINC001304666160 1067733232 /nfs/dbraw/zinc/73/32/32/1067733232.db2.gz PJVYDPLOHAYPOU-OAHLLOKOSA-N 0 0 476.594 3.045 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCNC(=O)C2CC2)cs1 ZINC001304666063 1067733242 /nfs/dbraw/zinc/73/32/42/1067733242.db2.gz OFFJKFPRIHCFNJ-UHFFFAOYSA-N 0 0 456.538 3.329 20 0 JGADRN CCCCN1C(=O)CC[C@H](C(=O)NCCc2ccc(O)c(CO)c2)[C@@H]1c1ccc(OC)cc1 ZINC001303198232 1067733445 /nfs/dbraw/zinc/73/34/45/1067733445.db2.gz RLZZCUMGHQHMKX-DHLKQENFSA-N 0 0 454.567 3.332 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2CC2([S@@](C)=O)CC2)cs1 ZINC001304666532 1067733905 /nfs/dbraw/zinc/73/39/05/1067733905.db2.gz QSLJZGTXOTVCRA-MGBGTMOVSA-N 0 0 494.687 3.038 20 0 JGADRN Cc1nc(Cc2nnc(N3CC[C@@H](Cc4ccc(F)cc4)C3)n2CC(=O)NC(C)C)cs1 ZINC001304666758 1067734248 /nfs/dbraw/zinc/73/42/48/1067734248.db2.gz WLOUIONNMNRTTB-SFHVURJKSA-N 0 0 456.591 3.367 20 0 JGADRN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCO2)[C@H](C)C1=O ZINC001303198730 1067734237 /nfs/dbraw/zinc/73/42/37/1067734237.db2.gz JZLAZMJDMAOMHS-YLJYHZDGSA-N 0 0 461.994 3.383 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CCSCC(C)C)cs1 ZINC001304667030 1067734820 /nfs/dbraw/zinc/73/48/20/1067734820.db2.gz OIUQYLVWNVOSFD-UHFFFAOYSA-N 0 0 462.689 3.472 20 0 JGADRN CC(C)CN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)N(C)C)[C@H](C)C1=O ZINC001303198936 1067735000 /nfs/dbraw/zinc/73/50/00/1067735000.db2.gz PFHBDQWQPZYPMP-HXUWFJFHSA-N 0 0 498.672 3.326 20 0 JGADRN Cc1nc(Cc2nnc(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n2CCNC(=O)C(C)C)cs1 ZINC001304667495 1067735221 /nfs/dbraw/zinc/73/52/21/1067735221.db2.gz 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JGADRN Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccn(Cc2ccccc2)n1 ZINC001304807029 1067886825 /nfs/dbraw/zinc/88/68/25/1067886825.db2.gz BJWDZSNBBKIXSM-LAUBAEHRSA-N 0 0 451.575 3.229 20 0 JGADRN Cc1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001304806236 1067886991 /nfs/dbraw/zinc/88/69/91/1067886991.db2.gz UMHIEQFINGXFCP-HXUWFJFHSA-N 0 0 460.625 3.427 20 0 JGADRN Cc1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001304808147 1067887036 /nfs/dbraw/zinc/88/70/36/1067887036.db2.gz ULKJMSVXQITXAC-HXUWFJFHSA-N 0 0 454.497 3.277 20 0 JGADRN Cc1nnc(N2Cc3ccc(Br)cc3C2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001304806379 1067887059 /nfs/dbraw/zinc/88/70/59/1067887059.db2.gz DDCAGRUOVUOQRG-UHFFFAOYSA-N 0 0 464.364 3.163 20 0 JGADRN Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001304809160 1067887294 /nfs/dbraw/zinc/88/72/94/1067887294.db2.gz KMNBHVCLKOAFQN-SUMWQHHRSA-N 0 0 463.966 3.409 20 0 JGADRN Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001304809705 1067887360 /nfs/dbraw/zinc/88/73/60/1067887360.db2.gz MTNLXGVQXZRPQQ-HOCLYGCPSA-N 0 0 452.600 3.239 20 0 JGADRN Cc1nnc(N2CCC(C(=O)NCCCOC(C)C)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001304810716 1067887661 /nfs/dbraw/zinc/88/76/61/1067887661.db2.gz BOEXYJLAOZWAQQ-UHFFFAOYSA-N 0 0 457.619 3.010 20 0 JGADRN Cc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001304811837 1067888252 /nfs/dbraw/zinc/88/82/52/1067888252.db2.gz JULWPUFXHFRFQF-SFHVURJKSA-N 0 0 482.526 3.143 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCCN(C)c1ccccc1 ZINC001303361665 1067888872 /nfs/dbraw/zinc/88/88/72/1067888872.db2.gz DMGOFLGUXCLFNB-QFIPXVFZSA-N 0 0 454.619 3.338 20 0 JGADRN Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001304813483 1067889176 /nfs/dbraw/zinc/88/91/76/1067889176.db2.gz MFHPBNJGPUSJIQ-JOCHJYFZSA-N 0 0 465.520 3.266 20 0 JGADRN COc1ccc(C[C@](C)(CO)NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)cc1OC ZINC001303361935 1067889629 /nfs/dbraw/zinc/88/96/29/1067889629.db2.gz BCBCYOCHRMOQDJ-HSZRJFAPSA-N 0 0 456.520 3.280 20 0 JGADRN CCOC(=O)c1cn(CC)nc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC001304815256 1067889853 /nfs/dbraw/zinc/88/98/53/1067889853.db2.gz JFKBDJWMVQJMSR-UHFFFAOYSA-N 0 0 456.524 3.441 20 0 JGADRN COc1cc(NC(=O)Cc2cccs2)c(C(=O)N(C)C[C@H](O)c2cccnc2)cc1OC ZINC001304814622 1067889935 /nfs/dbraw/zinc/88/99/35/1067889935.db2.gz BKGGXIGAFSSKSE-IBGZPJMESA-N 0 0 455.536 3.147 20 0 JGADRN CCOC(=O)c1cn(CC)nc1NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 ZINC001304815084 1067890134 /nfs/dbraw/zinc/89/01/34/1067890134.db2.gz IHKPKIBOBAQXJF-UHFFFAOYSA-N 0 0 458.515 3.462 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1CCOCC(F)(F)C(F)F ZINC001303363496 1067890252 /nfs/dbraw/zinc/89/02/52/1067890252.db2.gz FKULJCNRLMJCBF-UHFFFAOYSA-N 0 0 478.516 3.174 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001303363809 1067890656 /nfs/dbraw/zinc/89/06/56/1067890656.db2.gz SVOVOBXZNNSNDH-MHECFPHRSA-N 0 0 476.021 3.230 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C3CC3)C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001303363857 1067890831 /nfs/dbraw/zinc/89/08/31/1067890831.db2.gz TZPABRHUEHVDDI-HNNXBMFYSA-N 0 0 452.481 3.145 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1CCCN(C)CC(F)(F)F ZINC001303364214 1067891199 /nfs/dbraw/zinc/89/11/99/1067891199.db2.gz JHTDBFCVKJMCNW-KRWDZBQOSA-N 0 0 470.515 3.434 20 0 JGADRN Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001304820988 1067891233 /nfs/dbraw/zinc/89/12/33/1067891233.db2.gz CYDULYKBVAUXBV-SJLPKXTDSA-N 0 0 466.627 3.441 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001303364195 1067891332 /nfs/dbraw/zinc/89/13/32/1067891332.db2.gz IUOHXGOWDUWGGT-YTTGMZPUSA-N 0 0 461.632 3.053 20 0 JGADRN COc1cc(I)ccc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1 ZINC001304819254 1067891377 /nfs/dbraw/zinc/89/13/77/1067891377.db2.gz FYJPTHXUGJDRSI-AULYBMBSSA-N 0 0 453.280 3.252 20 0 JGADRN COc1ccc(C[C@@](C)(CO)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1OC ZINC001303364449 1067891563 /nfs/dbraw/zinc/89/15/63/1067891563.db2.gz RXSYTXNZUMWLFI-CYFREDJKSA-N 0 0 452.592 3.443 20 0 JGADRN Cc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001304821908 1067892026 /nfs/dbraw/zinc/89/20/26/1067892026.db2.gz GLNKOYSDFRJXCI-LPHOPBHVSA-N 0 0 452.372 3.218 20 0 JGADRN Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCCCC2)nc1 ZINC001304822353 1067892688 /nfs/dbraw/zinc/89/26/88/1067892688.db2.gz DNYNLBMZGMFOAE-HXUWFJFHSA-N 0 0 455.607 3.466 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1CC[S@@](=O)C(C)(C)C ZINC001303365452 1067892798 /nfs/dbraw/zinc/89/27/98/1067892798.db2.gz BVUBGWOWFUTZKM-ZUQCGGBESA-N 0 0 463.623 3.172 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1CCN(C)CC(F)(F)F ZINC001303366074 1067893755 /nfs/dbraw/zinc/89/37/55/1067893755.db2.gz JPTPSXBCFDPGDE-QGZVFWFLSA-N 0 0 470.515 3.119 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCSC1 ZINC001303366191 1067894079 /nfs/dbraw/zinc/89/40/79/1067894079.db2.gz JXBPHVDJYZPKFV-ZWKOTPCHSA-N 0 0 480.679 3.253 20 0 JGADRN Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001304825583 1067894823 /nfs/dbraw/zinc/89/48/23/1067894823.db2.gz FNMSKRMYRBPYBA-UHFFFAOYSA-N 0 0 471.581 3.355 20 0 JGADRN CC(C)Oc1cnccc1NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 ZINC001304830740 1067896450 /nfs/dbraw/zinc/89/64/50/1067896450.db2.gz UTJXMHAIPJDROD-IBGZPJMESA-N 0 0 454.527 3.321 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)c1nccs1 ZINC001303367318 1067896455 /nfs/dbraw/zinc/89/64/55/1067896455.db2.gz PBTLMZVENDJMFJ-CVEARBPZSA-N 0 0 477.635 3.028 20 0 JGADRN COCCN(CCC(=O)OC(C)(C)C)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001304832772 1067896789 /nfs/dbraw/zinc/89/67/89/1067896789.db2.gz DIDXNMJESIYQLV-OAHLLOKOSA-N 0 0 455.349 3.082 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H]1CCc2ccccc21 ZINC001303367522 1067897064 /nfs/dbraw/zinc/89/70/64/1067897064.db2.gz VOELOFBTVALPAT-SFHVURJKSA-N 0 0 492.546 3.041 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(N3CCCC3=O)CC2)n1CC(C)(C)c1cccs1 ZINC001303368920 1067897714 /nfs/dbraw/zinc/89/77/14/1067897714.db2.gz CQKYKGBAOBLUGN-UHFFFAOYSA-N 0 0 458.632 3.047 20 0 JGADRN Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCCC2)nc1 ZINC001304837556 1067897828 /nfs/dbraw/zinc/89/78/28/1067897828.db2.gz BIYDQUHMKGVMPZ-FQEVSTJZSA-N 0 0 455.607 3.466 20 0 JGADRN Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001304837065 1067897992 /nfs/dbraw/zinc/89/79/92/1067897992.db2.gz FSCDJVSHFGBMLM-XZOQPEGZSA-N 0 0 484.645 3.229 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(N(C)c3ccccc3)CC2)n1CCOc1ncccc1F ZINC001303369222 1067898528 /nfs/dbraw/zinc/89/85/28/1067898528.db2.gz MBWQBCRDCFBCCV-UHFFFAOYSA-N 0 0 481.576 3.135 20 0 JGADRN Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CC(=O)N(C)C1CCCCC1 ZINC001304840442 1067899450 /nfs/dbraw/zinc/89/94/50/1067899450.db2.gz MWTLEIDLFMWCPM-QGZVFWFLSA-N 0 0 453.513 3.434 20 0 JGADRN O=C(NCC1(c2ccc(Br)cc2)CC1)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001303369903 1067899571 /nfs/dbraw/zinc/89/95/71/1067899571.db2.gz GGYMNXZQUFEUOH-APWZRJJASA-N 0 0 458.274 3.408 20 0 JGADRN O=C(NCC1(c2ccc(Br)cc2)CC1)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001303369905 1067899664 /nfs/dbraw/zinc/89/96/64/1067899664.db2.gz GGYMNXZQUFEUOH-QFBILLFUSA-N 0 0 458.274 3.408 20 0 JGADRN Cc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001304841850 1067899941 /nfs/dbraw/zinc/89/99/41/1067899941.db2.gz URQMMBYELJLFTR-IBGZPJMESA-N 0 0 451.493 3.305 20 0 JGADRN Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCCS(=O)(=O)Cc1ccccc1 ZINC001304840827 1067900084 /nfs/dbraw/zinc/90/00/84/1067900084.db2.gz CTDPLVFWRZRXJG-GOSISDBHSA-N 0 0 460.522 3.139 20 0 JGADRN Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001304841254 1067900131 /nfs/dbraw/zinc/90/01/31/1067900131.db2.gz WLDIPKAWHWOPDS-MRXNPFEDSA-N 0 0 452.506 3.372 20 0 JGADRN Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001304842354 1067900361 /nfs/dbraw/zinc/90/03/61/1067900361.db2.gz KIIQYMGENKOAFT-RTBURBONSA-N 0 0 460.623 3.117 20 0 JGADRN Cc1cnn(Cc2cc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C3)no2)c1 ZINC001303370550 1067900470 /nfs/dbraw/zinc/90/04/70/1067900470.db2.gz KWIUXDOIMSVWDK-DZGCQCFKSA-N 0 0 457.453 3.003 20 0 JGADRN Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1Cc1cccc(C(F)F)c1 ZINC001304843590 1067900752 /nfs/dbraw/zinc/90/07/52/1067900752.db2.gz SBUVLYFSKKXKDL-IBGZPJMESA-N 0 0 453.559 3.403 20 0 JGADRN Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1Cc1cccc(C(F)F)c1 ZINC001304843591 1067900755 /nfs/dbraw/zinc/90/07/55/1067900755.db2.gz SBUVLYFSKKXKDL-LJQANCHMSA-N 0 0 453.559 3.403 20 0 JGADRN Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001304843412 1067900777 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C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NC2CCCCC2)CC(C)(C)O1 ZINC001305132857 1068218632 /nfs/dbraw/zinc/21/86/32/1068218632.db2.gz KSDXJENWWGEZLU-HNNXBMFYSA-N 0 0 493.450 3.499 20 0 JGADRN C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCOC2)CCN1CC(F)(F)F ZINC001305132917 1068218797 /nfs/dbraw/zinc/21/87/97/1068218797.db2.gz LJVYADNCNMVIKV-KBPBESRZSA-N 0 0 491.356 3.155 20 0 JGADRN C[C@H](CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001303682526 1068219016 /nfs/dbraw/zinc/21/90/16/1068219016.db2.gz QZVHKJMEEWJGDS-QGZVFWFLSA-N 0 0 467.524 3.138 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(F)c(F)c2)CC(=O)N1C ZINC001305133133 1068218957 /nfs/dbraw/zinc/21/89/57/1068218957.db2.gz LMENBRVANKTTAJ-CYBMUJFWSA-N 0 0 493.356 3.234 20 0 JGADRN C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(F)cc2)CC(=O)N1C ZINC001305133194 1068219337 /nfs/dbraw/zinc/21/93/37/1068219337.db2.gz MBZOMNJPYVEVCC-CQSZACIVSA-N 0 0 475.366 3.095 20 0 JGADRN 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C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCC1CCOCC1)N(C)c1ccccc1 ZINC001303683966 1068222102 /nfs/dbraw/zinc/22/21/02/1068222102.db2.gz HQWRGZFRPZIXNI-HXUWFJFHSA-N 0 0 454.619 3.292 20 0 JGADRN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)N(C)c1ccccc1 ZINC001303684058 1068222159 /nfs/dbraw/zinc/22/21/59/1068222159.db2.gz IAFBTEMSNPMJKM-WOJBJXKFSA-N 0 0 497.644 3.142 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1Cc1ccc2c(n1)CCCC2 ZINC001305134422 1068222024 /nfs/dbraw/zinc/22/20/24/1068222024.db2.gz LSJWPCQBHQHDLS-IRXDYDNUSA-N 0 0 460.648 3.083 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1sccc1Br ZINC001305134549 1068222062 /nfs/dbraw/zinc/22/20/62/1068222062.db2.gz MQBVKTFEJXYEIR-TUAOUCFPSA-N 0 0 494.506 3.091 20 0 JGADRN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccccc1F ZINC001303684565 1068222562 /nfs/dbraw/zinc/22/25/62/1068222562.db2.gz NEWLLHUHOKUUTG-HNNXBMFYSA-N 0 0 497.493 3.469 20 0 JGADRN 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C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3nc4c(o3)CCCC4)ccc2Cl)C[C@H](C)O1 ZINC001305236701 1068386066 /nfs/dbraw/zinc/38/60/66/1068386066.db2.gz OPKVTDKPOTXQLN-STQMWFEESA-N 0 0 453.948 3.257 20 0 JGADRN C[C@H]1CSCCN1c1nnc(Cc2cn3ccccc3n2)n1CC(F)(F)Br ZINC001305236798 1068386080 /nfs/dbraw/zinc/38/60/80/1068386080.db2.gz AVJUPYRPIZDHGY-LBPRGKRZSA-N 0 0 457.348 3.446 20 0 JGADRN C[C@@H]1CSCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001305236117 1068386228 /nfs/dbraw/zinc/38/62/28/1068386228.db2.gz FAQZWYROVFROCA-YLJYHZDGSA-N 0 0 478.684 3.485 20 0 JGADRN CO[C@@H]1CCCN(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001303797000 1068386289 /nfs/dbraw/zinc/38/62/89/1068386289.db2.gz KGLMPJUNXRPZBM-QGZVFWFLSA-N 0 0 457.474 3.262 20 0 JGADRN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3nc4c(o3)CCCC4)ccc2Cl)C[C@H](C)O1 ZINC001305236698 1068386305 /nfs/dbraw/zinc/38/63/05/1068386305.db2.gz OPKVTDKPOTXQLN-BETUJISGSA-N 0 0 453.948 3.257 20 0 JGADRN C[C@H]1CSCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCOCC1 ZINC001305236847 1068386597 /nfs/dbraw/zinc/38/65/97/1068386597.db2.gz BRNZXHGNLONUES-KRWDZBQOSA-N 0 0 452.024 3.175 20 0 JGADRN C[C@H]1CSCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSc1ccccc1 ZINC001305237273 1068386655 /nfs/dbraw/zinc/38/66/55/1068386655.db2.gz KHTJJDYDLJLUTK-DLBZAZTESA-N 0 0 452.671 3.304 20 0 JGADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCC[C@H]2C)C1 ZINC001303797264 1068386723 /nfs/dbraw/zinc/38/67/23/1068386723.db2.gz MBXQRAYPWMMXAI-NDBKNAECSA-N 0 0 471.606 3.026 20 0 JGADRN C[C@H]1CSCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccs1 ZINC001305237264 1068386914 /nfs/dbraw/zinc/38/69/14/1068386914.db2.gz KEVCJYNUCQQBGW-HOTGVXAUSA-N 0 0 480.660 3.227 20 0 JGADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2C[C@H](F)C2)C1 ZINC001303797343 1068387348 /nfs/dbraw/zinc/38/73/48/1068387348.db2.gz LOTPGKTWQVVHFO-AKHDSKFASA-N 0 0 478.613 3.278 20 0 JGADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2C[C@H](F)C2)C1 ZINC001303797348 1068387464 /nfs/dbraw/zinc/38/74/64/1068387464.db2.gz LOTPGKTWQVVHFO-OKYOBFRVSA-N 0 0 478.613 3.278 20 0 JGADRN C[C@H]1CSCCN1c1nnc(CN2CCCC2=O)n1Cc1ccccc1Br ZINC001305239096 1068387581 /nfs/dbraw/zinc/38/75/81/1068387581.db2.gz MPLMTGALPXWUAN-AWEZNQCLSA-N 0 0 450.406 3.153 20 0 JGADRN C[C@@H]1CSCCN1c1nnc(CNC(=O)c2cccs2)n1CCOc1ccc(Cl)cn1 ZINC001305238655 1068387768 /nfs/dbraw/zinc/38/77/68/1068387768.db2.gz LYVNNFSQRODDFD-CQSZACIVSA-N 0 0 479.031 3.339 20 0 JGADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N(C)C)CC1 ZINC001303797531 1068387971 /nfs/dbraw/zinc/38/79/71/1068387971.db2.gz MWPBRERLCDYWBV-QGZVFWFLSA-N 0 0 488.608 3.226 20 0 JGADRN C[C@H]1CSCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001305238741 1068388224 /nfs/dbraw/zinc/38/82/24/1068388224.db2.gz DQLWRTYSLCLOSL-RCCFBDPRSA-N 0 0 470.705 3.496 20 0 JGADRN C[C@@H]1CSCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 ZINC001305238776 1068388271 /nfs/dbraw/zinc/38/82/71/1068388271.db2.gz RLNARHIXJXOFPX-GUDVDZBRSA-N 0 0 481.663 3.140 20 0 JGADRN C[C@@H]1N(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(C)CN(C)C2=O)CCOC1(C)C ZINC001305239228 1068388564 /nfs/dbraw/zinc/38/85/64/1068388564.db2.gz IQAHCMRWJPGRPN-LHSJRXKWSA-N 0 0 462.392 3.190 20 0 JGADRN C[C@H]1N(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCOC1(C)C ZINC001305239210 1068388714 /nfs/dbraw/zinc/38/87/14/1068388714.db2.gz IEGPAXYRTJSALW-MOPGFXCFSA-N 0 0 490.649 3.165 20 0 JGADRN C[C@H]1CSCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(C)COCCO1 ZINC001305239509 1068389034 /nfs/dbraw/zinc/38/90/34/1068389034.db2.gz OWFARIDGIRPVKG-YWZLYKJASA-N 0 0 483.432 3.367 20 0 JGADRN C[C@H]1N(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCNS(C)(=O)=O)CCOC1(C)C ZINC001305239796 1068389141 /nfs/dbraw/zinc/38/91/41/1068389141.db2.gz BWYUUTQYNGCIKC-CYBMUJFWSA-N 0 0 476.430 3.195 20 0 JGADRN C[C@@H]1CSCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@]1(C)COCCO1 ZINC001305239506 1068389173 /nfs/dbraw/zinc/38/91/73/1068389173.db2.gz OWFARIDGIRPVKG-FOIQADDNSA-N 0 0 483.432 3.367 20 0 JGADRN C[C@H]1N(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@@](=O)C(C)(C)C)CCOC1(C)C ZINC001305239845 1068389209 /nfs/dbraw/zinc/38/92/09/1068389209.db2.gz DDNWGZPUFFGCFZ-HEJPQYQCSA-N 0 0 462.616 3.267 20 0 JGADRN C[C@@H]1N(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@](=O)C(C)(C)C)CCOC1(C)C ZINC001305239846 1068389243 /nfs/dbraw/zinc/38/92/43/1068389243.db2.gz DDNWGZPUFFGCFZ-KNTRGWTASA-N 0 0 462.616 3.267 20 0 JGADRN C[C@@H]1N(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@@](=O)C(C)(C)C)CCOC1(C)C ZINC001305239847 1068389277 /nfs/dbraw/zinc/38/92/77/1068389277.db2.gz DDNWGZPUFFGCFZ-MWOWJKGTSA-N 0 0 462.616 3.267 20 0 JGADRN C[C@@H]1CSCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001305239955 1068389681 /nfs/dbraw/zinc/38/96/81/1068389681.db2.gz XGUNQDJNYQSIOV-KBXIAJHMSA-N 0 0 452.568 3.416 20 0 JGADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(N(C)C)c2)C1 ZINC001303798597 1068390297 /nfs/dbraw/zinc/39/02/97/1068390297.db2.gz QRHHBHIQTBZJHZ-FBBABVLZSA-N 0 0 497.644 3.083 20 0 JGADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCOC2)CC1 ZINC001303798661 1068390308 /nfs/dbraw/zinc/39/03/08/1068390308.db2.gz QFIFUAKBNHLWDX-NSHGMRRFSA-N 0 0 463.623 3.338 20 0 JGADRN C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCSC[C@H]1C ZINC001305240669 1068390702 /nfs/dbraw/zinc/39/07/02/1068390702.db2.gz VSUGALMULMPCCX-SXGZJXTBSA-N 0 0 483.432 3.101 20 0 JGADRN C[C@H]1N(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCOC1(C)C ZINC001305241032 1068391035 /nfs/dbraw/zinc/39/10/35/1068391035.db2.gz AUBZXBYQATZBSX-SJORKVTESA-N 0 0 452.525 3.152 20 0 JGADRN C[C@@H]1N(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2COCCO2)CCOC1(C)C ZINC001305240718 1068391107 /nfs/dbraw/zinc/39/11/07/1068391107.db2.gz QCYDFJONYJTTSM-QWHCGFSZSA-N 0 0 457.394 3.188 20 0 JGADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001303798926 1068391183 /nfs/dbraw/zinc/39/11/83/1068391183.db2.gz OTWDPCWVFVVKQU-FUHWJXTLSA-N 0 0 483.679 3.498 20 0 JGADRN C[C@H]1N(c2nnc(Cc3cccnc3)n2CCCS(=O)(=O)Cc2ccccc2)CCOC1(C)C ZINC001305241453 1068391652 /nfs/dbraw/zinc/39/16/52/1068391652.db2.gz DGFPGQHJMFXDSF-HXUWFJFHSA-N 0 0 483.638 3.273 20 0 JGADRN C[C@H]1CSCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O ZINC001305241874 1068392144 /nfs/dbraw/zinc/39/21/44/1068392144.db2.gz URUUUDKKMZSZPV-HNNXBMFYSA-N 0 0 488.104 3.201 20 0 JGADRN C[C@@H]1N(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSCC(F)(F)F)CCOC1(C)C ZINC001305242202 1068392708 /nfs/dbraw/zinc/39/27/08/1068392708.db2.gz REKGZCZCVBCJPV-AWEZNQCLSA-N 0 0 482.536 3.220 20 0 JGADRN COC[C@]1(C(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001303799822 1068392756 /nfs/dbraw/zinc/39/27/56/1068392756.db2.gz BBLNSJZNNQNKIN-NRFANRHFSA-N 0 0 457.493 3.284 20 0 JGADRN C[C@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C(F)(F)F)CCOC1(C)C ZINC001305242090 1068392781 /nfs/dbraw/zinc/39/27/81/1068392781.db2.gz FZSNJFVFVPANPW-GDBMZVCRSA-N 0 0 472.533 3.251 20 0 JGADRN C[C@H]1N(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2COCCO2)CCOC1(C)C ZINC001305242357 1068393053 /nfs/dbraw/zinc/39/30/53/1068393053.db2.gz XTYSDNPHHNCATD-PBHICJAKSA-N 0 0 451.365 3.127 20 0 JGADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)(F)F)C1 ZINC001303799874 1068393288 /nfs/dbraw/zinc/39/32/88/1068393288.db2.gz VYTZYWHFUCEYJV-HZPDHXFCSA-N 0 0 470.565 3.185 20 0 JGADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)(F)F)C1 ZINC001303799867 1068393320 /nfs/dbraw/zinc/39/33/20/1068393320.db2.gz VYTZYWHFUCEYJV-CVEARBPZSA-N 0 0 470.565 3.185 20 0 JGADRN C[C@H]1N(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2COCCO2)CCOC1(C)C ZINC001305242359 1068393401 /nfs/dbraw/zinc/39/34/01/1068393401.db2.gz XTYSDNPHHNCATD-RHSMWYFYSA-N 0 0 451.365 3.127 20 0 JGADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccoc2)CC1 ZINC001303800157 1068393650 /nfs/dbraw/zinc/39/36/50/1068393650.db2.gz XMZIFDDRUOSGDA-QAPCUYQASA-N 0 0 458.563 3.000 20 0 JGADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccoc2)CC1 ZINC001303800151 1068393981 /nfs/dbraw/zinc/39/39/81/1068393981.db2.gz XMZIFDDRUOSGDA-MAUKXSAKSA-N 0 0 458.563 3.000 20 0 JGADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)C2CC2)C1 ZINC001303800090 1068393996 /nfs/dbraw/zinc/39/39/96/1068393996.db2.gz RTVYFLDBOGFTJN-SRGWNRLKSA-N 0 0 471.606 3.026 20 0 JGADRN C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1COC(C)(C)OC1 ZINC001305242956 1068394424 /nfs/dbraw/zinc/39/44/24/1068394424.db2.gz CJQHVCHJBLAFFT-PEBXRYMYSA-N 0 0 468.957 3.113 20 0 JGADRN C[C@H]1N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCC(=O)N(C)C)CCOC1(C)C ZINC001305243041 1068394717 /nfs/dbraw/zinc/39/47/17/1068394717.db2.gz IEGWBZWNLUTSNF-RTBURBONSA-N 0 0 492.665 3.265 20 0 JGADRN C[C@@H]1c2cc(Cn3c([C@H]4CCOC4)nnc3N(CCO)CCOCC(F)(F)F)ccc2O[C@H]1C ZINC001305243302 1068394850 /nfs/dbraw/zinc/39/48/50/1068394850.db2.gz CWZYRKATQBCLGZ-BQFCYCMXSA-N 0 0 484.519 3.092 20 0 JGADRN 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CC(C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001303849759 1068484200 /nfs/dbraw/zinc/48/42/00/1068484200.db2.gz NYRMHYQPROHVAB-PDOGEWKWSA-N 0 0 488.658 3.161 20 0 JGADRN CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001305282398 1068484589 /nfs/dbraw/zinc/48/45/89/1068484589.db2.gz FAYBVSMQSPYCDQ-IBGZPJMESA-N 0 0 456.566 3.157 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1CCCc1ccccc1 ZINC001303850257 1068484733 /nfs/dbraw/zinc/48/47/33/1068484733.db2.gz RMMUSOMUNIDGAD-BVSLBCMMSA-N 0 0 475.659 3.164 20 0 JGADRN CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001305284815 1068485996 /nfs/dbraw/zinc/48/59/96/1068485996.db2.gz GXKKEZPQNBUIPE-OALUTQOASA-N 0 0 495.715 3.188 20 0 JGADRN CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001305285030 1068486395 /nfs/dbraw/zinc/48/63/95/1068486395.db2.gz JYZWPLIEDLNACG-SFHVURJKSA-N 0 0 453.678 3.474 20 0 JGADRN CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001305285116 1068486469 /nfs/dbraw/zinc/48/64/69/1068486469.db2.gz BXSZJLQJCKIKHH-GOTSBHOMSA-N 0 0 464.010 3.418 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1C[C@H]1CCCCS1 ZINC001303850672 1068486577 /nfs/dbraw/zinc/48/65/77/1068486577.db2.gz XQIWGSFDJSJWCI-YSIASYRMSA-N 0 0 479.672 3.222 20 0 JGADRN CC(C)[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001303850914 1068486613 /nfs/dbraw/zinc/48/66/13/1068486613.db2.gz ALPZDMJKPJFDJB-UWJYYQICSA-N 0 0 488.658 3.300 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCCC3)C2)n1CCCC1CCOCC1 ZINC001303850991 1068487219 /nfs/dbraw/zinc/48/72/19/1068487219.db2.gz AMZAYEMLKCFCKE-GOSISDBHSA-N 0 0 453.653 3.256 20 0 JGADRN CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001305286299 1068487714 /nfs/dbraw/zinc/48/77/14/1068487714.db2.gz BDRARAXSDXXTRF-UHFFFAOYSA-N 0 0 467.661 3.109 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001303851131 1068488548 /nfs/dbraw/zinc/48/85/48/1068488548.db2.gz CBMJJQBHBGWCLF-BRWVUGGUSA-N 0 0 455.669 3.497 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1CCOc1ccc(Cl)cc1 ZINC001303851237 1068488579 /nfs/dbraw/zinc/48/85/79/1068488579.db2.gz BYQCZVAXMZVHGX-HNNXBMFYSA-N 0 0 453.996 3.001 20 0 JGADRN CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001305286877 1068488926 /nfs/dbraw/zinc/48/89/26/1068488926.db2.gz FNKUARIZIGTFBG-ZJSXRUAMSA-N 0 0 466.674 3.488 20 0 JGADRN CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001305287173 1068488942 /nfs/dbraw/zinc/48/89/42/1068488942.db2.gz IWPJLEHMUSYHGG-KDLAUNOPSA-N 0 0 459.566 3.309 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1CCc1cccnc1 ZINC001303851582 1068489699 /nfs/dbraw/zinc/48/96/99/1068489699.db2.gz GTWUOLRERQISNA-OXQOHEQNSA-N 0 0 458.563 3.007 20 0 JGADRN CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001305287786 1068490122 /nfs/dbraw/zinc/49/01/22/1068490122.db2.gz TUEHVCVIEGODCZ-SFHVURJKSA-N 0 0 453.653 3.230 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1Cc1cccc(Br)n1 ZINC001303851619 1068490378 /nfs/dbraw/zinc/49/03/78/1068490378.db2.gz GXWNEGMDWBRMSG-DZGCQCFKSA-N 0 0 495.403 3.029 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccc(O)cc2)n1CCc1ccsc1 ZINC001303851712 1068490383 /nfs/dbraw/zinc/49/03/83/1068490383.db2.gz HUGYUHIVLJIKEN-HNAYVOBHSA-N 0 0 461.613 3.240 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001303851972 1068490857 /nfs/dbraw/zinc/49/08/57/1068490857.db2.gz JMCGAYNMKJSBQP-QGZVFWFLSA-N 0 0 484.667 3.058 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1Cc1c(F)cc(F)c(F)c1F ZINC001303851825 1068490961 /nfs/dbraw/zinc/49/09/61/1068490961.db2.gz IQLBOKSDFPLXLK-LBPRGKRZSA-N 0 0 463.501 3.264 20 0 JGADRN 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ZINC001298450076 1064257513 /nfs/dbraw/zinc/25/75/13/1064257513.db2.gz CXKGCJADXSXAEE-AWEZNQCLSA-N 0 0 497.829 3.245 20 0 JGADRN CN(Cc1ncc(Cl)n1C)c1nnc(CCc2ccccc2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001298450498 1064257956 /nfs/dbraw/zinc/25/79/56/1064257956.db2.gz VKCUQIPRSMIYPI-UHFFFAOYSA-N 0 0 491.061 3.444 20 0 JGADRN COC1(C)CCN(C(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001298450808 1064258269 /nfs/dbraw/zinc/25/82/69/1064258269.db2.gz SDDVFHAMZMZYQB-SJLPKXTDSA-N 0 0 458.418 3.070 20 0 JGADRN CN(Cc1nccs1)c1nnc(C(=O)N2CCCC2)n1Cc1sccc1Br ZINC001298450595 1064258326 /nfs/dbraw/zinc/25/83/26/1064258326.db2.gz WWVGTALAPMBTPF-UHFFFAOYSA-N 0 0 467.418 3.479 20 0 JGADRN CN(Cc1nccs1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001298451412 1064258815 /nfs/dbraw/zinc/25/88/15/1064258815.db2.gz AXNFOQOMHHIHOD-CQSZACIVSA-N 0 0 485.010 3.255 20 0 JGADRN CN(Cc1nccs1)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1NC(=O)CC1(C)C ZINC001298451854 1064259245 /nfs/dbraw/zinc/25/92/45/1064259245.db2.gz 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1064264554 /nfs/dbraw/zinc/26/45/54/1064264554.db2.gz NAJBAUNDFPGTPO-MGBGTMOVSA-N 0 0 477.585 3.356 20 0 JGADRN CN(Cc1ncnn1CC(F)F)c1nnc(C2CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001298463377 1064265476 /nfs/dbraw/zinc/26/54/76/1064265476.db2.gz WQZUETFMMOHLSV-OAHLLOKOSA-N 0 0 480.564 3.296 20 0 JGADRN CN(Cc1ncnn1CC(F)F)c1nnc([C@@H]2CCCCO2)n1CCC[C@@H]1CCCCO1 ZINC001298463487 1064265861 /nfs/dbraw/zinc/26/58/61/1064265861.db2.gz ZKXFPEDGSIEWSF-IRXDYDNUSA-N 0 0 453.538 3.362 20 0 JGADRN CN(Cc1cnn(-c2ccccc2)n1)c1nnc([C@@H]2CCOC2)n1CCSC(F)(F)F ZINC001298464937 1064266299 /nfs/dbraw/zinc/26/62/99/1064266299.db2.gz GXQCHZIAAUVERY-CQSZACIVSA-N 0 0 453.494 3.252 20 0 JGADRN CN(Cc1ccon1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccncc1Cl ZINC001298464966 1064266447 /nfs/dbraw/zinc/26/64/47/1064266447.db2.gz HGYVNOVRPCPRDJ-UHFFFAOYSA-N 0 0 458.931 3.070 20 0 JGADRN CN(Cc1ccon1)c1nnc(-c2cccc(Br)c2)n1CCC1(O)CCOCC1 ZINC001298466296 1064266766 /nfs/dbraw/zinc/26/67/66/1064266766.db2.gz 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CN(Cc1ccon1)c1nnc(Cc2ccccn2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001298472738 1064268841 /nfs/dbraw/zinc/26/88/41/1064268841.db2.gz WKSUNZDYRFTENL-UHFFFAOYSA-N 0 0 465.558 3.456 20 0 JGADRN CN(Cc1ccon1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(C(N)=O)c1 ZINC001298472618 1064268883 /nfs/dbraw/zinc/26/88/83/1064268883.db2.gz VTIFHWCHRQVCCZ-LJQANCHMSA-N 0 0 495.584 3.164 20 0 JGADRN CN(CC1CC(F)(F)C1)c1nnc(-c2ccccc2Cl)n1CCOCCS(C)(=O)=O ZINC001298473390 1064269455 /nfs/dbraw/zinc/26/94/55/1064269455.db2.gz JVFCOORQXOUFQS-UHFFFAOYSA-N 0 0 462.950 3.141 20 0 JGADRN CN(CC1CC(F)(F)C1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)C(C)(C)C ZINC001298474598 1064271136 /nfs/dbraw/zinc/27/11/36/1064271136.db2.gz ZGNWEFGTFCIRQL-HKBQPEDESA-N 0 0 488.626 3.377 20 0 JGADRN CN(C)[C@@]1(C(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)COc2ccccc2C1 ZINC001298477994 1064271251 /nfs/dbraw/zinc/27/12/51/1064271251.db2.gz CJYOCICHTUYONL-MUUNZHRXSA-N 0 0 457.574 3.286 20 0 JGADRN 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COc1ccc([C@H](C)CCn2c(Cc3ccsc3)nnc2N2CCS(=O)(=O)CC2)cc1 ZINC001299985726 1065287743 /nfs/dbraw/zinc/28/77/43/1065287743.db2.gz XJVWXOVIVNEKLK-QGZVFWFLSA-N 0 0 460.625 3.368 20 0 JGADRN COc1ccc([C@@H](C)N(C)c2nnc(CN3CCCC3=O)n2CCN(C)CC(F)(F)F)cc1 ZINC001299985700 1065287756 /nfs/dbraw/zinc/28/77/56/1065287756.db2.gz BNLPXQCINKPBBB-MRXNPFEDSA-N 0 0 468.524 3.101 20 0 JGADRN COc1ccc([C@H](C)CCn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 ZINC001299985678 1065287806 /nfs/dbraw/zinc/28/78/06/1065287806.db2.gz WWMDQQSODUADKI-NQIIRXRSSA-N 0 0 479.629 3.434 20 0 JGADRN COc1ccc([C@H](C)N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccsc2)cc1 ZINC001299986438 1065287852 /nfs/dbraw/zinc/28/78/52/1065287852.db2.gz ZMVJXXHJHWWPHN-YWBKXGLFSA-N 0 0 455.584 3.404 20 0 JGADRN COc1ccc([C@@H](C)N(C)c2nnc(CC3CCCC3)n2CCNC(=O)c2ccn[nH]2)cc1 ZINC001299986896 1065288430 /nfs/dbraw/zinc/28/84/30/1065288430.db2.gz LYGBQNKYISTJRR-QGZVFWFLSA-N 0 0 451.575 3.370 20 0 JGADRN 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Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cc1C ZINC001492274212 1065368529 /nfs/dbraw/zinc/36/85/29/1065368529.db2.gz XBGUXZGICWWGGY-PZJWPPBQSA-N 0 0 473.643 3.167 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC(=O)N(C)C)cc1C ZINC001492274763 1065368974 /nfs/dbraw/zinc/36/89/74/1065368974.db2.gz GHANPCWQAALEHT-NVXWUHKLSA-N 0 0 466.508 3.260 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC001492275800 1065369785 /nfs/dbraw/zinc/36/97/85/1065369785.db2.gz LFBDRUHULPKKBB-POAQFYNOSA-N 0 0 486.617 3.268 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN2CCOCC2(C)C)cc1C ZINC001492275088 1065369833 /nfs/dbraw/zinc/36/98/33/1065369833.db2.gz HZLIGQDJBXZHFE-QUCCMNQESA-N 0 0 458.582 3.052 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1C ZINC001492276745 1065371248 /nfs/dbraw/zinc/37/12/48/1065371248.db2.gz QTLOJTUOLITCTO-MIVHDCIWSA-N 0 0 477.556 3.415 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnn(C)c2)cc1C ZINC001492277050 1065371896 /nfs/dbraw/zinc/37/18/96/1065371896.db2.gz TVNDBICJSVEHSI-HXUWFJFHSA-N 0 0 494.600 3.032 20 0 JGADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001492280336 1065373118 /nfs/dbraw/zinc/37/31/18/1065373118.db2.gz FWVMCBOTWMDEQV-UHFFFAOYSA-N 0 0 479.560 3.023 20 0 JGADRN Cc1nccn1CCn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001492280547 1065373267 /nfs/dbraw/zinc/37/32/67/1065373267.db2.gz HPXYVVBEEVLXBX-FQEVSTJZSA-N 0 0 450.591 3.240 20 0 JGADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001492280898 1065373792 /nfs/dbraw/zinc/37/37/92/1065373792.db2.gz LHTVIEJMHZIBEJ-UHFFFAOYSA-N 0 0 479.551 3.419 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCC(=O)NC2CC2)cc1 ZINC001492283386 1065376501 /nfs/dbraw/zinc/37/65/01/1065376501.db2.gz HDSNQWPHAQCLPN-UHFFFAOYSA-N 0 0 481.988 3.436 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2nc3c(s2)CCCC3)cc1 ZINC001492283586 1065376611 /nfs/dbraw/zinc/37/66/11/1065376611.db2.gz JMRNNDGWWKGDLF-UHFFFAOYSA-N 0 0 495.653 3.378 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CNC(=O)Nc4ccc(C)cc4)C3)n2CC(C)(C)O)n1 ZINC001492289228 1065377824 /nfs/dbraw/zinc/37/78/24/1065377824.db2.gz XKHCVJBMTQQIDV-OAQYLSRUSA-N 0 0 494.644 3.257 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC001492284503 1065377846 /nfs/dbraw/zinc/37/78/46/1065377846.db2.gz XOFLKJLDDUXLHX-UHFFFAOYSA-N 0 0 493.612 3.420 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC2(C)C)cc1 ZINC001492286932 1065379184 /nfs/dbraw/zinc/37/91/84/1065379184.db2.gz JGNVPICOQVJZGI-MOPGFXCFSA-N 0 0 473.643 3.390 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC(=O)NC2CCCCC2)cc1 ZINC001492286780 1065379195 /nfs/dbraw/zinc/37/91/95/1065379195.db2.gz HJBXKNXHFNWJJV-FQEVSTJZSA-N 0 0 482.629 3.394 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CCC2CC2)cc1 ZINC001492287092 1065379820 /nfs/dbraw/zinc/37/98/20/1065379820.db2.gz ASUJAQOTXUNFEK-UHFFFAOYSA-N 0 0 452.584 3.453 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492287188 1065380286 /nfs/dbraw/zinc/38/02/86/1065380286.db2.gz OPVLMPHFIGYTHX-RBUKOAKNSA-N 0 0 486.617 3.326 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492287187 1065380393 /nfs/dbraw/zinc/38/03/93/1065380393.db2.gz OPVLMPHFIGYTHX-OALUTQOASA-N 0 0 486.617 3.326 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492287189 1065380540 /nfs/dbraw/zinc/38/05/40/1065380540.db2.gz OPVLMPHFIGYTHX-RTBURBONSA-N 0 0 486.617 3.326 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCn2cccn2)cc1 ZINC001492287396 1065380576 /nfs/dbraw/zinc/38/05/76/1065380576.db2.gz DIXFIJUVPNIFPT-IBGZPJMESA-N 0 0 460.542 3.034 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCC(=O)N2CCCCC2)cc1 ZINC001492287975 1065381882 /nfs/dbraw/zinc/38/18/82/1065381882.db2.gz UKQYXIXZSZKSHT-UHFFFAOYSA-N 0 0 475.597 3.434 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1 ZINC001492288340 1065382551 /nfs/dbraw/zinc/38/25/51/1065382551.db2.gz WQMXOKKLPQIFPQ-XMSQKQJNSA-N 0 0 451.575 3.123 20 0 JGADRN Cc1c(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cc(C)ccc2OC(F)F)cnn1C ZINC001492301219 1065384748 /nfs/dbraw/zinc/38/47/48/1065384748.db2.gz AYNLWQSOQZZWNE-UHFFFAOYSA-N 0 0 461.517 3.053 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(C)C)C2)c1 ZINC001492301969 1065384817 /nfs/dbraw/zinc/38/48/17/1065384817.db2.gz CFQVQTXSXYMOFW-HOTGVXAUSA-N 0 0 471.574 3.329 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(N3CCN([C@@H](C)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001492301062 1065384826 /nfs/dbraw/zinc/38/48/26/1065384826.db2.gz AFGHSRUMWKVAKZ-UXHICEINSA-N 0 0 468.646 3.141 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCCO3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001492302437 1065385898 /nfs/dbraw/zinc/38/58/98/1065385898.db2.gz HJDDZZDRFZYLCJ-IEBWSBKVSA-N 0 0 484.569 3.491 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccn2)c1 ZINC001492302595 1065386005 /nfs/dbraw/zinc/38/60/05/1065386005.db2.gz JWVBAQIINRTUBX-INIZCTEOSA-N 0 0 477.537 3.170 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)c1 ZINC001492303899 1065387300 /nfs/dbraw/zinc/38/73/00/1065387300.db2.gz UIJJZHLOXRNYIG-MSOLQXFVSA-N 0 0 477.556 3.433 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC001492305020 1065387372 /nfs/dbraw/zinc/38/73/72/1065387372.db2.gz LWTHHFNUVRCXHU-UHFFFAOYSA-N 0 0 476.572 3.104 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC001492303993 1065387459 /nfs/dbraw/zinc/38/74/59/1065387459.db2.gz VONUOPOTMHVZAU-WMZOPIPTSA-N 0 0 484.569 3.144 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H](C)Oc2ccc(C)cc2)cs1 ZINC001492306562 1065388163 /nfs/dbraw/zinc/38/81/63/1065388163.db2.gz QSTLVYTVYWFVAJ-QGZVFWFLSA-N 0 0 489.667 3.423 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)NC(C)C)nnc2N(C[C@@H]2CCOC2)C2CC2)c1 ZINC001492307868 1065388707 /nfs/dbraw/zinc/38/87/07/1065388707.db2.gz WWTHTLCDTUGEKZ-INIZCTEOSA-N 0 0 463.529 3.380 20 0 JGADRN Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C)Oc2ccc(C)cc2)cs1 ZINC001492307740 1065388760 /nfs/dbraw/zinc/38/87/60/1065388760.db2.gz VRFBABKZTHYHMS-SJORKVTESA-N 0 0 454.600 3.077 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CCN2CCC(C)CC2)cc1 ZINC001492310039 1065389226 /nfs/dbraw/zinc/38/92/26/1065389226.db2.gz BYOPMTPJHAWLHY-LEWJYISDSA-N 0 0 477.675 3.155 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)c3cccs3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001492310642 1065389999 /nfs/dbraw/zinc/38/99/99/1065389999.db2.gz HRGCVCLNAZQFAQ-QGZVFWFLSA-N 0 0 463.629 3.316 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2cn3ccsc3n2)cc1 ZINC001492313086 1065391226 /nfs/dbraw/zinc/39/12/26/1065391226.db2.gz UWTWZROPBAKUPP-DLBZAZTESA-N 0 0 488.639 3.181 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@@H]4CCOC4)n3CCNC(=O)C(C)(C)C)CC2)cc1 ZINC001492314048 1065391821 /nfs/dbraw/zinc/39/18/21/1065391821.db2.gz YZYRKRKQPDPEBF-LJQANCHMSA-N 0 0 455.603 3.301 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2CC2(O)CCS(=O)(=O)CC2)cc1C ZINC001492313613 1065391850 /nfs/dbraw/zinc/39/18/50/1065391850.db2.gz WNFRSZOLOSMVED-IBGZPJMESA-N 0 0 488.610 3.204 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCC(=O)N2CCOCC2)cc1 ZINC001492316216 1065393003 /nfs/dbraw/zinc/39/30/03/1065393003.db2.gz HKSNNJHMGAPSKO-RTWAWAEBSA-N 0 0 455.603 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CCn2cncn2)cc1 ZINC001492317959 1065394170 /nfs/dbraw/zinc/39/41/70/1065394170.db2.gz ROZZKMUFSYBCCF-UHFFFAOYSA-N 0 0 496.616 3.293 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)cc1 ZINC001492318048 1065394216 /nfs/dbraw/zinc/39/42/16/1065394216.db2.gz SRZUQRROPHXPMK-MJGOQNOKSA-N 0 0 450.630 3.075 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1NC(=O)CC1(C)C ZINC001492322910 1065395962 /nfs/dbraw/zinc/39/59/62/1065395962.db2.gz DBKDDCPSIPRAJA-LJQANCHMSA-N 0 0 454.600 3.482 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC001492322861 1065396069 /nfs/dbraw/zinc/39/60/69/1065396069.db2.gz BOPTXAQOUZKZBM-ZHRRBRCNSA-N 0 0 494.518 3.094 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CCNC(=O)c2ccco2)cc1C ZINC001492324969 1065397744 /nfs/dbraw/zinc/39/77/44/1065397744.db2.gz GVWMGVUKNQHUAS-UHFFFAOYSA-N 0 0 450.499 3.121 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@H]2CCO[C@H](C)C2)cc1 ZINC001492326350 1065399029 /nfs/dbraw/zinc/39/90/29/1065399029.db2.gz YQAWTGRZSHPKIB-MSOLQXFVSA-N 0 0 475.544 3.474 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCCc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001492328967 1065399109 /nfs/dbraw/zinc/39/91/09/1065399109.db2.gz CAQHBJVCOUVKOZ-FQEVSTJZSA-N 0 0 469.611 3.064 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492329180 1065399818 /nfs/dbraw/zinc/39/98/18/1065399818.db2.gz HAEADEFSAIBDKV-KOUNCHBCSA-N 0 0 457.619 3.138 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001492331536 1065401506 /nfs/dbraw/zinc/40/15/06/1065401506.db2.gz ZDQSNYJBKNYWLS-OYRHEFFESA-N 0 0 495.672 3.418 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@]2(O)CCC[C@@H]2C)cc1 ZINC001492331043 1065401625 /nfs/dbraw/zinc/40/16/25/1065401625.db2.gz VTEPSBQUJWCYTL-HFZDXXHNSA-N 0 0 471.646 3.264 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCN2CCOC[C@H]2C)cc1C ZINC001492336316 1065403496 /nfs/dbraw/zinc/40/34/96/1065403496.db2.gz ADWNOHSBKVJTIP-SVFBPWRDSA-N 0 0 497.562 3.351 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@](C)(O)c2cccs2)cc1C ZINC001492336523 1065403540 /nfs/dbraw/zinc/40/35/40/1065403540.db2.gz GICPGZBGMQSJKQ-UUOWRZLLSA-N 0 0 469.611 3.110 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[C@@H]2CCO[C@H](C)C2)cc1C ZINC001492337209 1065404225 /nfs/dbraw/zinc/40/42/25/1065404225.db2.gz GVDAMGSWKRZZCM-PWRODBHTSA-N 0 0 455.603 3.346 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[C@H]2CCO[C@@H](C)C2)cc1C ZINC001492337200 1065404262 /nfs/dbraw/zinc/40/42/62/1065404262.db2.gz GVDAMGSWKRZZCM-ACRUOGEOSA-N 0 0 455.603 3.346 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001492337644 1065405306 /nfs/dbraw/zinc/40/53/06/1065405306.db2.gz NUQOFTQLZHOARE-IBGZPJMESA-N 0 0 498.628 3.232 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H]2CCCCS2(=O)=O)cc1C ZINC001492337554 1065405324 /nfs/dbraw/zinc/40/53/24/1065405324.db2.gz MDOHGMZJDHHGBQ-RTWAWAEBSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@]4(CCOC4)OC(C)(C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492339029 1065406808 /nfs/dbraw/zinc/40/68/08/1065406808.db2.gz MUKOESUSBZVFAX-SANMLTNESA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@@H]2CCCCS2)cc1 ZINC001492338844 1065406842 /nfs/dbraw/zinc/40/68/42/1065406842.db2.gz RPPZHVVHIRBZRI-FQEVSTJZSA-N 0 0 464.657 3.465 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](C)CN2CCOCC2)cc1C ZINC001492339725 1065407554 /nfs/dbraw/zinc/40/75/54/1065407554.db2.gz PLXBRVSPAGMDJB-SIKLNZKXSA-N 0 0 471.646 3.446 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)cc1 ZINC001492293784 1065408883 /nfs/dbraw/zinc/40/88/83/1065408883.db2.gz DAQSLCMTTQYXNZ-QZTJIDSGSA-N 0 0 464.657 3.288 20 0 JGADRN Cc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@@H](C)Oc2ccc(C)cc2)o1 ZINC001492293181 1065408935 /nfs/dbraw/zinc/40/89/35/1065408935.db2.gz AVCNVTPNQXPKQB-LJQANCHMSA-N 0 0 487.626 3.388 20 0 JGADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCS(C)(=O)=O)C2)cc1 ZINC001492289331 1065408992 /nfs/dbraw/zinc/40/89/92/1065408992.db2.gz ZXFXBULCKRSVKG-IBGZPJMESA-N 0 0 490.674 3.357 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n2CCCOC(C)C)cc1C ZINC001492351106 1065412923 /nfs/dbraw/zinc/41/29/23/1065412923.db2.gz BJNHRBLXPDGBJX-AREMUKBSSA-N 0 0 498.628 3.104 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001545691887 1065413033 /nfs/dbraw/zinc/41/30/33/1065413033.db2.gz KFTPEWFZCHCEMJ-GOSISDBHSA-N 0 0 472.609 3.472 20 0 JGADRN Cc1c(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)cnn1CC(C)C ZINC001492352133 1065414019 /nfs/dbraw/zinc/41/40/19/1065414019.db2.gz JIHPFTHGZNYTSR-SANMLTNESA-N 0 0 479.629 3.385 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n2CCC(C)C)cc1 ZINC001492352879 1065414540 /nfs/dbraw/zinc/41/45/40/1065414540.db2.gz RDCRAVNIBSYRED-XMMPIXPASA-N 0 0 454.575 3.026 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@@H]4CC4(F)F)CC3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001492352432 1065414594 /nfs/dbraw/zinc/41/45/94/1065414594.db2.gz NPFPIBGAQVAHMC-FQEVSTJZSA-N 0 0 497.612 3.365 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCS(=O)(=O)NC(C)C)cc1C ZINC001492353223 1065414864 /nfs/dbraw/zinc/41/48/64/1065414864.db2.gz UQILQQWDGCTWNC-AZUAARDMSA-N 0 0 463.648 3.284 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(=O)N4CCCC4)CC3)n2CC(C)(C)O)cc1C ZINC001492353624 1065416276 /nfs/dbraw/zinc/41/62/76/1065416276.db2.gz GIRDSLIHMIFHNP-UHFFFAOYSA-N 0 0 469.630 3.474 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CC(=O)NCC(F)F)cc1 ZINC001492353870 1065417165 /nfs/dbraw/zinc/41/71/65/1065417165.db2.gz OELDXHCDWZEUCH-UHFFFAOYSA-N 0 0 460.312 3.446 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@]2(O)CCSC2)cc1C ZINC001492358697 1065419736 /nfs/dbraw/zinc/41/97/36/1065419736.db2.gz CEKOWOFPWFZBOH-VWLOTQADSA-N 0 0 487.670 3.083 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N4CCCNC4=O)CC3)n2CCCOC(F)F)cc1 ZINC001492359326 1065420550 /nfs/dbraw/zinc/42/05/50/1065420550.db2.gz JPTZKCHYYAGQJZ-UHFFFAOYSA-N 0 0 478.544 3.179 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1C ZINC001492359214 1065420661 /nfs/dbraw/zinc/42/06/61/1065420661.db2.gz HBPXGLDSCPJZPN-NIYFSFCBSA-N 0 0 498.628 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N4CCCC4=O)CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492360660 1065423169 /nfs/dbraw/zinc/42/31/69/1065423169.db2.gz ZHMHGDPMTZEGRI-UHFFFAOYSA-N 0 0 482.629 3.062 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001492362129 1065423218 /nfs/dbraw/zinc/42/32/18/1065423218.db2.gz ATCQQBNFLJDHRD-OAQYLSRUSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCCc2nccs2)cc1 ZINC001492363299 1065424264 /nfs/dbraw/zinc/42/42/64/1065424264.db2.gz IDDSRGNCTRXATO-UHFFFAOYSA-N 0 0 475.640 3.268 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 ZINC001492363593 1065424901 /nfs/dbraw/zinc/42/49/01/1065424901.db2.gz KJSDNXBZHIEXHS-VXKWHMMOSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC001492363941 1065425668 /nfs/dbraw/zinc/42/56/68/1065425668.db2.gz PEOQORNSFMZWSD-CLOONOSVSA-N 0 0 458.603 3.489 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[C@H]2CCO[C@@H](C)C2)cc1 ZINC001492363895 1065425700 /nfs/dbraw/zinc/42/57/00/1065425700.db2.gz OEESHPMABLPETJ-PMACEKPBSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[C@H]2CCO[C@H](C)C2)cc1 ZINC001492363896 1065425732 /nfs/dbraw/zinc/42/57/32/1065425732.db2.gz OEESHPMABLPETJ-UXHICEINSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@]2(O)CCO[C@@H]2C)cc1 ZINC001492363943 1065425786 /nfs/dbraw/zinc/42/57/86/1065425786.db2.gz PEOQORNSFMZWSD-KBMIEXCESA-N 0 0 458.603 3.489 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H]2CCO[C@H]2C(C)C)cc1 ZINC001492363919 1065425809 /nfs/dbraw/zinc/42/58/09/1065425809.db2.gz OLKSIAJZJJWVBY-XXBNENTESA-N 0 0 476.643 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC2(O)CCCCCC2)cc1C ZINC001492364205 1065426519 /nfs/dbraw/zinc/42/65/19/1065426519.db2.gz TYSPDYYEPVRMRI-NRFANRHFSA-N 0 0 476.643 3.183 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H]2CCSC2)cc1C ZINC001492364018 1065426581 /nfs/dbraw/zinc/42/65/81/1065426581.db2.gz QWJFBZKGTTYIPJ-SFHVURJKSA-N 0 0 464.657 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CCOCCCO)cc1C ZINC001492367819 1065427226 /nfs/dbraw/zinc/42/72/26/1065427226.db2.gz CJIRNBVJHUASGK-UHFFFAOYSA-N 0 0 465.392 3.362 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@]4(C3)CCCOC4)n2CCCC(=O)N(C)C)cc1C ZINC001492364751 1065427233 /nfs/dbraw/zinc/42/72/33/1065427233.db2.gz ZFNQQRNDZXPTDE-RUZDIDTESA-N 0 0 455.603 3.349 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@]4(C3)CCCOC4)n2CCCC(=O)N(C)C)cc1C ZINC001492364752 1065427288 /nfs/dbraw/zinc/42/72/88/1065427288.db2.gz ZFNQQRNDZXPTDE-VWLOTQADSA-N 0 0 455.603 3.349 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CCOC(C)(C)C)cc1 ZINC001492364369 1065427311 /nfs/dbraw/zinc/42/73/11/1065427311.db2.gz WQBHGXUSNWFECM-UHFFFAOYSA-N 0 0 455.603 3.429 20 0 JGADRN Cc1csc([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)n1 ZINC001492368245 1065428065 /nfs/dbraw/zinc/42/80/65/1065428065.db2.gz DWPSHSFWRCSUMJ-SJLPKXTDSA-N 0 0 454.600 3.436 20 0 JGADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)n1 ZINC001492368244 1065428182 /nfs/dbraw/zinc/42/81/82/1065428182.db2.gz DWPSHSFWRCSUMJ-FUHWJXTLSA-N 0 0 454.600 3.436 20 0 JGADRN Cc1c(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)cnn1CC(C)C ZINC001492369006 1065428723 /nfs/dbraw/zinc/42/87/23/1065428723.db2.gz JNQHVTNXRAOQNB-OAQYLSRUSA-N 0 0 479.629 3.385 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CCN2CCOC[C@H]2C)cc1 ZINC001492369196 1065428768 /nfs/dbraw/zinc/42/87/68/1065428768.db2.gz MCRAWWKRGHXWNB-GOSISDBHSA-N 0 0 476.419 3.375 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CCCNC(=O)C(C)C)cc1C ZINC001492370000 1065431130 /nfs/dbraw/zinc/43/11/30/1065431130.db2.gz DYKDDBSMWQNHKG-QFIPXVFZSA-N 0 0 496.656 3.227 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2ccc(Cl)nc2)cc1 ZINC001492370040 1065431211 /nfs/dbraw/zinc/43/12/11/1065431211.db2.gz FLOHBEBNZCNXKW-KRWDZBQOSA-N 0 0 454.962 3.354 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@]2(O)CCOC2)cc1C ZINC001492369915 1065431217 /nfs/dbraw/zinc/43/12/17/1065431217.db2.gz DEUXRCPSZPRJTR-KDYSTLNUSA-N 0 0 499.656 3.004 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@H]2CCC(=O)N2)cc1C ZINC001492370526 1065432765 /nfs/dbraw/zinc/43/27/65/1065432765.db2.gz UMHHQAFVYKYCOL-QGZVFWFLSA-N 0 0 460.376 3.241 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCNC(=O)OC(C)(C)C)cc1C ZINC001492370965 1065434350 /nfs/dbraw/zinc/43/43/50/1065434350.db2.gz WDQRXVGJDDBJGD-IBGZPJMESA-N 0 0 486.617 3.090 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1C ZINC001492371170 1065435150 /nfs/dbraw/zinc/43/51/50/1065435150.db2.gz XNYPPSLSMGJHHL-RTBURBONSA-N 0 0 497.612 3.379 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@@]2(C)COCCO2)cc1 ZINC001492371427 1065435978 /nfs/dbraw/zinc/43/59/78/1065435978.db2.gz RCGIYYHKPYPZTN-IDISGSTGSA-N 0 0 499.656 3.350 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H]2CCOC2)cc1C ZINC001492371745 1065436008 /nfs/dbraw/zinc/43/60/08/1065436008.db2.gz UASWALNVVMCRCB-YADHBBJMSA-N 0 0 469.630 3.499 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1 ZINC001492371443 1065436016 /nfs/dbraw/zinc/43/60/16/1065436016.db2.gz RDOLQACRERHBPS-NMMYMHLASA-N 0 0 455.603 3.318 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)c2nccs2)cc1 ZINC001492372295 1065437354 /nfs/dbraw/zinc/43/73/54/1065437354.db2.gz XXLHFFOOCSFPSG-IEBWSBKVSA-N 0 0 475.640 3.439 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC2(O)CCC2)cc1 ZINC001492376604 1065438921 /nfs/dbraw/zinc/43/89/21/1065438921.db2.gz BQAQSMDNRNTOCI-UHFFFAOYSA-N 0 0 453.509 3.155 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCOCC(F)F)cc1C ZINC001492376875 1065439695 /nfs/dbraw/zinc/43/96/95/1065439695.db2.gz FHJNZOXMBGMXBR-UHFFFAOYSA-N 0 0 479.572 3.450 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001492376876 1065439814 /nfs/dbraw/zinc/43/98/14/1065439814.db2.gz FHXUECQWTVCEDF-IFMALSPDSA-N 0 0 455.603 3.285 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CC2(O)CC2)cc1C ZINC001492377106 1065440736 /nfs/dbraw/zinc/44/07/36/1065440736.db2.gz IKXHUTWRZLZBBX-UHFFFAOYSA-N 0 0 471.602 3.304 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCO[C@@H](C)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492377407 1065441420 /nfs/dbraw/zinc/44/14/20/1065441420.db2.gz OSOYAYTZJUWQJC-FPOVZHCZSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccnc(OC(F)F)c2)cc1C ZINC001492377464 1065441649 /nfs/dbraw/zinc/44/16/49/1065441649.db2.gz PRGFWPMZTHKVGH-SFHVURJKSA-N 0 0 486.523 3.220 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCO[C@H](C)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC001492377411 1065441659 /nfs/dbraw/zinc/44/16/59/1065441659.db2.gz OSOYAYTZJUWQJC-TZIWHRDSSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492378168 1065443130 /nfs/dbraw/zinc/44/31/30/1065443130.db2.gz JTJGJTRQPAYGCY-RTBURBONSA-N 0 0 481.519 3.300 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H]3c3ccco3)n2CCCNS(C)(=O)=O)cc1 ZINC001492379470 1065443807 /nfs/dbraw/zinc/44/38/07/1065443807.db2.gz RIEBKCYPJGMCDQ-IBGZPJMESA-N 0 0 459.572 3.039 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001492383071 1065446271 /nfs/dbraw/zinc/44/62/71/1065446271.db2.gz JPYKZIXVZIJXCH-OAQYLSRUSA-N 0 0 455.603 3.285 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H]2CC=CCO2)cc1C ZINC001492383267 1065447004 /nfs/dbraw/zinc/44/70/04/1065447004.db2.gz PZLAPRCTDTWYDH-JOCHJYFZSA-N 0 0 453.587 3.124 20 0 JGADRN 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ZINC001492390784 1065455506 /nfs/dbraw/zinc/45/55/06/1065455506.db2.gz AOQOXBXJROAJOJ-UHFFFAOYSA-N 0 0 491.518 3.234 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCc2csc(C(C)C)n2)cc1 ZINC001492390856 1065455626 /nfs/dbraw/zinc/45/56/26/1065455626.db2.gz DGYISEVPJYLLHH-UHFFFAOYSA-N 0 0 454.600 3.314 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCn2cnnn2)cc1C ZINC001492391272 1065455652 /nfs/dbraw/zinc/45/56/52/1065455652.db2.gz BRWUSHQQZLDUOX-DEOSSOPVSA-N 0 0 468.606 3.192 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCSC(F)(F)F)cc1 ZINC001492390925 1065456380 /nfs/dbraw/zinc/45/63/80/1065456380.db2.gz GVUQGFKOUDGEJV-AWEZNQCLSA-N 0 0 457.478 3.059 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(=O)NCc2ccco2)cc1C ZINC001492340964 1065456446 /nfs/dbraw/zinc/45/64/46/1065456446.db2.gz XCFRVSWXMZDNQK-IBGZPJMESA-N 0 0 467.570 3.387 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCSC(F)(F)F)cc1 ZINC001492390926 1065456511 /nfs/dbraw/zinc/45/65/11/1065456511.db2.gz GVUQGFKOUDGEJV-CQSZACIVSA-N 0 0 457.478 3.059 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)[C@H]4CCCC[C@H]43)n2CCCNS(C)(=O)=O)cc1C ZINC001492340975 1065457201 /nfs/dbraw/zinc/45/72/01/1065457201.db2.gz XHUBNHKABCPEHE-KSEOMHKRSA-N 0 0 475.659 3.428 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@@H]4C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC001492344243 1065458078 /nfs/dbraw/zinc/45/80/78/1065458078.db2.gz KSIZXOJWADSOLG-SFHLNBCPSA-N 0 0 498.628 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC001492344244 1065458112 /nfs/dbraw/zinc/45/81/12/1065458112.db2.gz KSIZXOJWADSOLG-SVFBPWRDSA-N 0 0 498.628 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CCCCCCO)cc1 ZINC001492344478 1065458800 /nfs/dbraw/zinc/45/88/00/1065458800.db2.gz NJHOWDXTIARRLX-OAQYLSRUSA-N 0 0 458.603 3.493 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CCCCCCO)cc1 ZINC001492344477 1065458828 /nfs/dbraw/zinc/45/88/28/1065458828.db2.gz NJHOWDXTIARRLX-NRFANRHFSA-N 0 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ZINC001492411539 1065475312 /nfs/dbraw/zinc/47/53/12/1065475312.db2.gz IGJCQDBDKPWDMN-UHFFFAOYSA-N 0 0 465.602 3.278 20 0 JGADRN Cc1nc(Cc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCCOc2ccc(C)cc2)cs1 ZINC001492411541 1065475346 /nfs/dbraw/zinc/47/53/46/1065475346.db2.gz IHHFDQQKGSVRBW-SFHVURJKSA-N 0 0 468.627 3.468 20 0 JGADRN Cc1ccc(OCCCCn2c(C(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)cc1 ZINC001492409940 1065475464 /nfs/dbraw/zinc/47/54/64/1065475464.db2.gz YEFWGOCUZXGYNU-UHFFFAOYSA-N 0 0 470.618 3.143 20 0 JGADRN Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)cc1 ZINC001492412228 1065476054 /nfs/dbraw/zinc/47/60/54/1065476054.db2.gz MXYQSOALNFCZNX-FQEVSTJZSA-N 0 0 497.600 3.278 20 0 JGADRN Cc1ccc(OCCCCn2c(CC(C)(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC001492412648 1065476144 /nfs/dbraw/zinc/47/61/44/1065476144.db2.gz VPTXBSPAOGVLIC-UHFFFAOYSA-N 0 0 463.648 3.116 20 0 JGADRN Cc1ccc(OCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(F)F)CC2)cc1 ZINC001492412455 1065476237 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CO[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2CCOCC2)CC[C@H]1C ZINC001300826884 1065555709 /nfs/dbraw/zinc/55/57/09/1065555709.db2.gz RGFHVOKNGBXKAC-HMXCVIKNSA-N 0 0 493.649 3.264 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNC(=O)C(C)C)CC[C@@H]1C ZINC001300827448 1065556273 /nfs/dbraw/zinc/55/62/73/1065556273.db2.gz ZDCHLBPJEGWXST-XUVXKRRUSA-N 0 0 492.665 3.026 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC(C)C)CC[C@H]1C ZINC001300827484 1065556775 /nfs/dbraw/zinc/55/67/75/1065556775.db2.gz UNKSDMKNJSLACV-VAMGGRTRSA-N 0 0 481.638 3.263 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC[C@H]1C ZINC001300827939 1065556820 /nfs/dbraw/zinc/55/68/20/1065556820.db2.gz WKUHDUJVHAUJOZ-LSTHTHJFSA-N 0 0 467.035 3.351 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC[C@@H]1C ZINC001300828273 1065557291 /nfs/dbraw/zinc/55/72/91/1065557291.db2.gz WRGFVHWIWVRMBW-DBVUQKKJSA-N 0 0 485.526 3.132 20 0 JGADRN CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O ZINC001300828242 1065557428 /nfs/dbraw/zinc/55/74/28/1065557428.db2.gz FSQOXDLXZGSESA-MRXNPFEDSA-N 0 0 456.373 3.399 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCC(F)F)CC1(C)C ZINC001300828730 1065558142 /nfs/dbraw/zinc/55/81/42/1065558142.db2.gz ZGBKCZXQULFGFC-SFHVURJKSA-N 0 0 458.513 3.212 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSc2ccc(C)cc2)CC[C@H]1C ZINC001300828839 1065558174 /nfs/dbraw/zinc/55/81/74/1065558174.db2.gz YDHFAXICBMWEGN-WSTZPKSXSA-N 0 0 464.657 3.142 20 0 JGADRN CCOc1cccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)n1 ZINC001300829274 1065558617 /nfs/dbraw/zinc/55/86/17/1065558617.db2.gz UTVRAHXHZZAUSN-UHFFFAOYSA-N 0 0 453.520 3.414 20 0 JGADRN CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001300829176 1065558670 /nfs/dbraw/zinc/55/86/70/1065558670.db2.gz QTFPAKGQQDIXBR-NRFANRHFSA-N 0 0 454.504 3.383 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1(C)C ZINC001300832586 1065565977 /nfs/dbraw/zinc/56/59/77/1065565977.db2.gz AHIQTHXGPBUHJK-IRXDYDNUSA-N 0 0 473.565 3.055 20 0 JGADRN CO[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(N)=O)cc2)CC[C@@H]1C ZINC001300832689 1065566433 /nfs/dbraw/zinc/56/64/33/1065566433.db2.gz BBIQSVLAGQVKHC-LIRRHRJNSA-N 0 0 455.588 3.034 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC[C@@H]1C ZINC001300834252 1065568887 /nfs/dbraw/zinc/56/88/87/1065568887.db2.gz KRPZWSBRZQAXKZ-HTAPYJJXSA-N 0 0 498.653 3.010 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC[C@H]1C ZINC001300834325 1065569117 /nfs/dbraw/zinc/56/91/17/1065569117.db2.gz LWXZLQQZTQFAQY-QWFCFKBJSA-N 0 0 458.607 3.381 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1(C)C ZINC001300835440 1065571495 /nfs/dbraw/zinc/57/14/95/1065571495.db2.gz SDVGGTSAIYRPEL-ZWKOTPCHSA-N 0 0 487.592 3.445 20 0 JGADRN O=C(c1coc(C2CCCCC2)n1)N1CCC(n2nncc2I)CC1 ZINC001300835979 1065571978 /nfs/dbraw/zinc/57/19/78/1065571978.db2.gz UNEQFTWNJRMAMG-UHFFFAOYSA-N 0 0 455.300 3.396 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCCCC2=O)CC[C@H]1C ZINC001300836868 1065572014 /nfs/dbraw/zinc/57/20/14/1065572014.db2.gz AJSPOZKFJVCJPL-IFMALSPDSA-N 0 0 455.603 3.429 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCCCC2=O)CC[C@@H]1C ZINC001300836870 1065572490 /nfs/dbraw/zinc/57/24/90/1065572490.db2.gz AJSPOZKFJVCJPL-RBBKRZOGSA-N 0 0 455.603 3.429 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1C ZINC001300838232 1065574046 /nfs/dbraw/zinc/57/40/46/1065574046.db2.gz COFRERQHTOFCFF-LAUBAEHRSA-N 0 0 490.651 3.274 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CCC2)CC[C@@H]1C ZINC001300838065 1065574188 /nfs/dbraw/zinc/57/41/88/1065574188.db2.gz HOSUUAPGSZBTJN-RXVVDRJESA-N 0 0 476.643 3.302 20 0 JGADRN CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC[C@H]1C ZINC001300838231 1065574227 /nfs/dbraw/zinc/57/42/27/1065574227.db2.gz COFRERQHTOFCFF-DYESRHJHSA-N 0 0 490.651 3.274 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCn2cncn2)CC[C@H]1C ZINC001300840578 1065577638 /nfs/dbraw/zinc/57/76/38/1065577638.db2.gz VFONIYGQQURNRB-RDTXWAMCSA-N 0 0 466.373 3.317 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1(C)C ZINC001300840592 1065578089 /nfs/dbraw/zinc/57/80/89/1065578089.db2.gz VLMPXGQERAVXCJ-WIYYLYMNSA-N 0 0 459.566 3.116 20 0 JGADRN CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ncccc2Cl)CC[C@H]1C ZINC001300840436 1065578122 /nfs/dbraw/zinc/57/81/22/1065578122.db2.gz DSRBLKNWBQXOTP-WBVHZDCISA-N 0 0 491.017 3.258 20 0 JGADRN CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(C)(C)O)cc2)CC[C@@H]1C ZINC001300840706 1065578363 /nfs/dbraw/zinc/57/83/63/1065578363.db2.gz FOOUWYQLYLQZMA-JTSKRJEESA-N 0 0 452.603 3.277 20 0 JGADRN CO[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC001300841060 1065578982 /nfs/dbraw/zinc/57/89/82/1065578982.db2.gz YEIYAVVKQCODQP-JTSKRJEESA-N 0 0 459.566 3.116 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC001300841059 1065579195 /nfs/dbraw/zinc/57/91/95/1065579195.db2.gz YEIYAVVKQCODQP-HTAPYJJXSA-N 0 0 459.566 3.116 20 0 JGADRN CO[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1(C)C ZINC001300841803 1065580199 /nfs/dbraw/zinc/58/01/99/1065580199.db2.gz PIWBOSJOANYSSE-TZIWHRDSSA-N 0 0 457.594 3.355 20 0 JGADRN CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CCCc2cnn(C)n2)CC1(C)C ZINC001300842118 1065580229 /nfs/dbraw/zinc/58/02/29/1065580229.db2.gz KWPJEHZXIZNDAU-OAQYLSRUSA-N 0 0 453.591 3.096 20 0 JGADRN CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)cc2F)CC1(C)C ZINC001300843304 1065581484 /nfs/dbraw/zinc/58/14/84/1065581484.db2.gz PNHGSDAZKBPAOY-GOSISDBHSA-N 0 0 461.538 3.457 20 0 JGADRN CO[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCC(F)(F)F)CC1(C)C ZINC001300845624 1065587402 /nfs/dbraw/zinc/58/74/02/1065587402.db2.gz VDOKQRBOKOTCPZ-SFHVURJKSA-N 0 0 481.519 3.251 20 0 JGADRN CO[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H](OC)C1)C1CC1 ZINC001300845901 1065588609 /nfs/dbraw/zinc/58/86/09/1065588609.db2.gz AFDXNEXDCLJVFA-LFAQGZIKSA-N 0 0 463.623 3.335 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@](C)=O)CCC2)CC[C@@H]1C ZINC001300846304 1065589843 /nfs/dbraw/zinc/58/98/43/1065589843.db2.gz FPDVKFWWVGUNTR-AXZCADNSSA-N 0 0 452.665 3.359 20 0 JGADRN COC(=O)[C@H]1CC(F)(F)CN1C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC001300847161 1065590423 /nfs/dbraw/zinc/59/04/23/1065590423.db2.gz ISHQVWRSNRLFNE-DBWMJRBXSA-N 0 0 450.438 3.301 20 0 JGADRN COC(=O)[C@H]1CC(F)(F)CN1C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC001300847160 1065590467 /nfs/dbraw/zinc/59/04/67/1065590467.db2.gz ISHQVWRSNRLFNE-BQLWYNFJSA-N 0 0 450.438 3.301 20 0 JGADRN CO[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNC(=O)C(C)C)CC[C@H]1C ZINC001300851171 1065594356 /nfs/dbraw/zinc/59/43/56/1065594356.db2.gz UJEZJKBAUHEQGY-ZRNYENFQSA-N 0 0 492.665 3.072 20 0 JGADRN CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)c2ccco2)CC1(C)C ZINC001300851258 1065595518 /nfs/dbraw/zinc/59/55/18/1065595518.db2.gz VGSDZSFADDLZSF-NZSAHSFTSA-N 0 0 459.591 3.081 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCSC2)CC[C@@H]1C ZINC001300851230 1065595584 /nfs/dbraw/zinc/59/55/84/1065595584.db2.gz VAHZJBJCBYKUJE-VOLVWJTLSA-N 0 0 481.663 3.079 20 0 JGADRN CO[C@@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001300852026 1065597080 /nfs/dbraw/zinc/59/70/80/1065597080.db2.gz BRMWFSQSQHQGHZ-SLFFLAALSA-N 0 0 463.648 3.024 20 0 JGADRN CO[C@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001300851956 1065597199 /nfs/dbraw/zinc/59/71/99/1065597199.db2.gz BCGBBYPMLHDZJK-YRPNKDGESA-N 0 0 463.623 3.289 20 0 JGADRN CO[C@H]1COCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCS(C)(=O)=O ZINC001300852248 1065597692 /nfs/dbraw/zinc/59/76/92/1065597692.db2.gz CVPVNFSONZHXLV-MOPGFXCFSA-N 0 0 496.699 3.198 20 0 JGADRN CO[C@@H]1COCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001300852579 1065597964 /nfs/dbraw/zinc/59/79/64/1065597964.db2.gz FBEUBNJWERYHSF-GRDNDAEWSA-N 0 0 468.396 3.091 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001300852580 1065597993 /nfs/dbraw/zinc/59/79/93/1065597993.db2.gz FBEUBNJWERYHSF-JJRVBVJISA-N 0 0 468.396 3.091 20 0 JGADRN CO[C@H]1COCC[C@@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(C)C ZINC001300852300 1065598087 /nfs/dbraw/zinc/59/80/87/1065598087.db2.gz DJVGMMPSJDTVHR-MOPGFXCFSA-N 0 0 478.663 3.080 20 0 JGADRN Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001300852984 1065599066 /nfs/dbraw/zinc/59/90/66/1065599066.db2.gz IALJASJYTKRKOD-DEOSSOPVSA-N 0 0 454.527 3.085 20 0 JGADRN Cc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C(C)C)C2)N2CCOCC2)c1 ZINC001492479197 1065600024 /nfs/dbraw/zinc/60/00/24/1065600024.db2.gz CZUUGFPUWWNZCU-DHIUTWEWSA-N 0 0 468.646 3.281 20 0 JGADRN Cc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C(C)C)C2)N2CCOCC2)c1 ZINC001492479206 1065600054 /nfs/dbraw/zinc/60/00/54/1065600054.db2.gz CZUUGFPUWWNZCU-XZOQPEGZSA-N 0 0 468.646 3.281 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001300854121 1065600111 /nfs/dbraw/zinc/60/01/11/1065600111.db2.gz JEJUSAURJRLXCJ-DENIHFKCSA-N 0 0 459.566 3.121 20 0 JGADRN CO[C@H]1COCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001300855022 1065603195 /nfs/dbraw/zinc/60/31/95/1065603195.db2.gz BOUFRYIFCVMXHW-GMAHTHKFSA-N 0 0 471.646 3.100 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001300855089 1065603247 /nfs/dbraw/zinc/60/32/47/1065603247.db2.gz CMMPAKBKLYLBDF-RHSMWYFYSA-N 0 0 496.431 3.148 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCC(C)C ZINC001300855604 1065604794 /nfs/dbraw/zinc/60/47/94/1065604794.db2.gz QKZCNGWYSXEWFN-UYAOXDASSA-N 0 0 464.010 3.395 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CCn1cccn1 ZINC001300855568 1065604906 /nfs/dbraw/zinc/60/49/06/1065604906.db2.gz QDUDNYMJHLXOIA-QZNHQXDQSA-N 0 0 468.602 3.419 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnc(C)s1 ZINC001300857135 1065609069 /nfs/dbraw/zinc/60/90/69/1065609069.db2.gz WOOFDZFLOLKMFG-RDTXWAMCSA-N 0 0 495.447 3.499 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001300857184 1065609723 /nfs/dbraw/zinc/60/97/23/1065609723.db2.gz OPXJWQGILHYEPH-QWFCFKBJSA-N 0 0 474.606 3.160 20 0 JGADRN CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001300857785 1065611169 /nfs/dbraw/zinc/61/11/69/1065611169.db2.gz QDFQPVYCIOAUIH-YLJYHZDGSA-N 0 0 475.590 3.392 20 0 JGADRN CO[C@H]1COCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001300859247 1065615337 /nfs/dbraw/zinc/61/53/37/1065615337.db2.gz WFKATDCCHGJSOT-GMAHTHKFSA-N 0 0 469.630 3.388 20 0 JGADRN 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PTUUKTUWEAYVIF-KZZOLAOHSA-N 0 0 456.649 3.239 20 0 JGADRN O=C(CNC(=O)c1cccc(Cl)c1)Nc1nc2cc(I)ccc2[nH]1 ZINC001301313121 1066113888 /nfs/dbraw/zinc/11/38/88/1066113888.db2.gz NJSIPBGYRWWIKL-UHFFFAOYSA-N 0 0 454.655 3.189 20 0 JGADRN COC[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CC(C)(C)COC)C1 ZINC001301315758 1066114416 /nfs/dbraw/zinc/11/44/16/1066114416.db2.gz OYOHWJDTXWPYSZ-SFHVURJKSA-N 0 0 468.602 3.381 20 0 JGADRN O=C(Nc1nc2cc(I)ccc2[nH]1)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001301315428 1066114473 /nfs/dbraw/zinc/11/44/73/1066114473.db2.gz IHGFRKWHEJBAII-NSHDSACASA-N 0 0 450.211 3.056 20 0 JGADRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC001301318494 1066116657 /nfs/dbraw/zinc/11/66/57/1066116657.db2.gz JIXSOYOBLNQSPY-OAHLLOKOSA-N 0 0 457.415 3.326 20 0 JGADRN COC[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C1 ZINC001301319157 1066116996 /nfs/dbraw/zinc/11/69/96/1066116996.db2.gz LFUFPKOQQXGCSW-WMZOPIPTSA-N 0 0 467.412 3.432 20 0 JGADRN 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COCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001301325629 1066119513 /nfs/dbraw/zinc/11/95/13/1066119513.db2.gz XKRDEIOGFXQQPO-UHFFFAOYSA-N 0 0 477.556 3.488 20 0 JGADRN COCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001301325820 1066120028 /nfs/dbraw/zinc/12/00/28/1066120028.db2.gz ZELHBICNHAFDTF-UHFFFAOYSA-N 0 0 467.035 3.210 20 0 JGADRN COC[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC(C)C)c2ccccc2OC)C1 ZINC001301326159 1066120045 /nfs/dbraw/zinc/12/00/45/1066120045.db2.gz DARNNWMPJDOWBA-AVRDEDQJSA-N 0 0 454.575 3.326 20 0 JGADRN COC[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001301326132 1066120101 /nfs/dbraw/zinc/12/01/01/1066120101.db2.gz CNHPRVJLEMREPH-INIZCTEOSA-N 0 0 450.465 3.141 20 0 JGADRN COC[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2c(OC)cc(OC)cc2OC)C1 ZINC001301328581 1066122038 /nfs/dbraw/zinc/12/20/38/1066122038.db2.gz KYMUMKSGSJPMIP-GOSISDBHSA-N 0 0 467.570 3.390 20 0 JGADRN COC[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCOc2ccc(Cl)cn2)C1 ZINC001301328939 1066122161 /nfs/dbraw/zinc/12/21/61/1066122161.db2.gz MOUTUGSDHHGGMJ-QGZVFWFLSA-N 0 0 457.962 3.478 20 0 JGADRN COC[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@](C)(O)c2ccccc2)C1 ZINC001301332157 1066123567 /nfs/dbraw/zinc/12/35/67/1066123567.db2.gz AKCUMUNYONTNGY-KOSHJBKYSA-N 0 0 469.611 3.040 20 0 JGADRN COCC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001301332762 1066123936 /nfs/dbraw/zinc/12/39/36/1066123936.db2.gz GURLZDAEEXFWGT-UHFFFAOYSA-N 0 0 493.534 3.495 20 0 JGADRN COC[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC001301333725 1066124367 /nfs/dbraw/zinc/12/43/67/1066124367.db2.gz YWKAQRHCWUJTGF-AWEZNQCLSA-N 0 0 450.465 3.227 20 0 JGADRN COC[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC001301333865 1066124379 /nfs/dbraw/zinc/12/43/79/1066124379.db2.gz OMGTXECXZPSYOZ-JXFKEZNVSA-N 0 0 469.483 3.494 20 0 JGADRN COC[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001301334746 1066124980 /nfs/dbraw/zinc/12/49/80/1066124980.db2.gz SNJUPQLICPDUBZ-MRXNPFEDSA-N 0 0 492.646 3.046 20 0 JGADRN COC[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CCOCC2)C1 ZINC001301339432 1066129008 /nfs/dbraw/zinc/12/90/08/1066129008.db2.gz BOTGFZZEJVVEOE-IBGZPJMESA-N 0 0 458.603 3.169 20 0 JGADRN O=C(c1ccccc1OCc1ccc(Br)cc1)N1CCN(c2nccnn2)CC1 ZINC001301339881 1066129547 /nfs/dbraw/zinc/12/95/47/1066129547.db2.gz DZZHREGTPXKZNE-UHFFFAOYSA-N 0 0 454.328 3.176 20 0 JGADRN COC[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001301342424 1066132188 /nfs/dbraw/zinc/13/21/88/1066132188.db2.gz MCAKJNPSWLRJGP-YADHBBJMSA-N 0 0 455.603 3.205 20 0 JGADRN COC[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001301343046 1066133746 /nfs/dbraw/zinc/13/37/46/1066133746.db2.gz KAFRRVRGHSYRQX-KRWDZBQOSA-N 0 0 463.554 3.336 20 0 JGADRN COC[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001301343055 1066133751 /nfs/dbraw/zinc/13/37/51/1066133751.db2.gz KCYMHKFTTYIWEA-RYQLBKOJSA-N 0 0 453.008 3.236 20 0 JGADRN COC[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001301342982 1066133774 /nfs/dbraw/zinc/13/37/74/1066133774.db2.gz CICMMVBDNPRHBY-HKBOAZHASA-N 0 0 491.633 3.042 20 0 JGADRN COC[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001301343682 1066134083 /nfs/dbraw/zinc/13/40/83/1066134083.db2.gz SSMGRGNTOVQUGC-CTNGQTDRSA-N 0 0 497.562 3.210 20 0 JGADRN COC[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)N(C)C)C1 ZINC001301343430 1066134136 /nfs/dbraw/zinc/13/41/36/1066134136.db2.gz OIJIIMHXXCDJNL-AWEZNQCLSA-N 0 0 456.374 3.115 20 0 JGADRN COC[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN(C)CC(F)(F)F)C1 ZINC001301344079 1066134983 /nfs/dbraw/zinc/13/49/83/1066134983.db2.gz WVEAQCRCSOXAHA-GOSISDBHSA-N 0 0 455.525 3.441 20 0 JGADRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(COC)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001301344849 1066135986 /nfs/dbraw/zinc/13/59/86/1066135986.db2.gz RGEWPLFDCLKWNI-CMOCDZPBSA-N 0 0 450.624 3.316 20 0 JGADRN 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COC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCOc2ccc(Cl)cn2)CCO1 ZINC001301406178 1066188532 /nfs/dbraw/zinc/18/85/32/1066188532.db2.gz LITYURNHJLTDQN-FQEVSTJZSA-N 0 0 487.988 3.453 20 0 JGADRN COC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccc2C(F)(F)F)CCO1 ZINC001301407531 1066190201 /nfs/dbraw/zinc/19/02/01/1066190201.db2.gz PMENHGAONKTCPB-IBGZPJMESA-N 0 0 478.519 3.253 20 0 JGADRN COC[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[C@H]2CCOC2)CCO1 ZINC001301407423 1066190261 /nfs/dbraw/zinc/19/02/61/1066190261.db2.gz ONJMAEDSGIGYID-UGKGYDQZSA-N 0 0 458.603 3.433 20 0 JGADRN COC[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cc(C)no2)CCO1 ZINC001301407976 1066191186 /nfs/dbraw/zinc/19/11/86/1066191186.db2.gz RKPUWMMLBVDYQJ-OAQYLSRUSA-N 0 0 455.559 3.351 20 0 JGADRN COC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)c2cc(C)oc2C)CCO1 ZINC001301408208 1066191832 /nfs/dbraw/zinc/19/18/32/1066191832.db2.gz UOCXDDWMZKFUAE-OFVILXPXSA-N 0 0 470.570 3.135 20 0 JGADRN 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CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001301912044 1066937909 /nfs/dbraw/zinc/93/79/09/1066937909.db2.gz NKKLEMPRLCJOLP-FPOVZHCZSA-N 0 0 473.643 3.035 20 0 JGADRN CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1)C(F)(F)F ZINC001302340400 1066938687 /nfs/dbraw/zinc/93/86/87/1066938687.db2.gz CRQJKPICRGMTDD-GOSISDBHSA-N 0 0 491.624 3.471 20 0 JGADRN CC(C)(Cn1c([C@@H]2CCCOC2)nnc1N(CCS(C)(=O)=O)C1CC1)c1cccc(F)c1 ZINC001302340240 1066938729 /nfs/dbraw/zinc/93/87/29/1066938729.db2.gz BCMARBYDSBMKRO-QGZVFWFLSA-N 0 0 464.607 3.302 20 0 JGADRN CC(=O)NC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2cccnc2)CCO1 ZINC001301912319 1066938981 /nfs/dbraw/zinc/93/89/81/1066938981.db2.gz OYFNLEZJLVIDAR-HXUWFJFHSA-N 0 0 487.029 3.203 20 0 JGADRN CC(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001301912420 1066939025 /nfs/dbraw/zinc/93/90/25/1066939025.db2.gz DAXMFCSINLINJE-JKSUJKDBSA-N 0 0 486.514 3.156 20 0 JGADRN CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001302341588 1066940102 /nfs/dbraw/zinc/94/01/02/1066940102.db2.gz QCLKFGQPZSEKJC-IRXDYDNUSA-N 0 0 493.630 3.070 20 0 JGADRN CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001302341586 1066940125 /nfs/dbraw/zinc/94/01/25/1066940125.db2.gz QCLKFGQPZSEKJC-DLBZAZTESA-N 0 0 493.630 3.070 20 0 JGADRN CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1)c1cccs1 ZINC001302342005 1066940523 /nfs/dbraw/zinc/94/05/23/1066940523.db2.gz STDCZHIKKDNJIP-SFHVURJKSA-N 0 0 466.673 3.208 20 0 JGADRN CC(C)(Cn1c(CCc2ccccc2)nnc1N1CCC(OCC(N)=O)CC1)C(F)(F)F ZINC001302342605 1066940888 /nfs/dbraw/zinc/94/08/88/1066940888.db2.gz VSUNJIBKDWGEJY-UHFFFAOYSA-N 0 0 453.509 3.123 20 0 JGADRN CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCCC(F)(F)F)CCO1 ZINC001301913208 1066941151 /nfs/dbraw/zinc/94/11/51/1066941151.db2.gz PIAFIOKERXNDDI-SFHVURJKSA-N 0 0 469.508 3.158 20 0 JGADRN COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(F)(F)Br)CC1 ZINC001301913081 1066941336 /nfs/dbraw/zinc/94/13/36/1066941336.db2.gz SQVUTCZBVUCJLB-UHFFFAOYSA-N 0 0 478.769 3.278 20 0 JGADRN CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1)C(F)(F)F ZINC001302343172 1066941741 /nfs/dbraw/zinc/94/17/41/1066941741.db2.gz ZSITWMBFRSRLMZ-BRWVUGGUSA-N 0 0 478.581 3.412 20 0 JGADRN CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(N)=O)CC1 ZINC001302344738 1066941764 /nfs/dbraw/zinc/94/17/64/1066941764.db2.gz CEHKEFPVULDPBD-QZTJIDSGSA-N 0 0 492.665 3.202 20 0 JGADRN CC(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001301913473 1066941768 /nfs/dbraw/zinc/94/17/68/1066941768.db2.gz KDNCFQAMQRZEIL-FPOVZHCZSA-N 0 0 465.602 3.289 20 0 JGADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2OCCC2(C)C)CCO1 ZINC001301913372 1066941825 /nfs/dbraw/zinc/94/18/25/1066941825.db2.gz VDYQHNNYJLBKCC-DHIUTWEWSA-N 0 0 499.656 3.311 20 0 JGADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCOc2ccccc2C)CCO1 ZINC001301913251 1066941973 /nfs/dbraw/zinc/94/19/73/1066941973.db2.gz PVOSKYVBMPLIGW-NRFANRHFSA-N 0 0 469.611 3.049 20 0 JGADRN CON(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1sccc1Br ZINC001302344501 1066941908 /nfs/dbraw/zinc/94/19/08/1066941908.db2.gz ZOATYNXPJZGTNS-UHFFFAOYSA-N 0 0 471.406 3.108 20 0 JGADRN CC(C)(C)OC(=O)NC(C)(C)Cn1c(N2CCC(Cn3ccnn3)CC2)nnc1C(C)(C)C ZINC001302345114 1066942294 /nfs/dbraw/zinc/94/22/94/1066942294.db2.gz KEFDJBILBSOFNW-UHFFFAOYSA-N 0 0 460.627 3.387 20 0 JGADRN CC(C)(C)OC(=O)NC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccco2)C1 ZINC001302345400 1066942650 /nfs/dbraw/zinc/94/26/50/1066942650.db2.gz SFUAXPKSVXQJKJ-KRWDZBQOSA-N 0 0 472.590 3.291 20 0 JGADRN CON(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nc(C(C)C)cs1 ZINC001302347148 1066943473 /nfs/dbraw/zinc/94/34/73/1066943473.db2.gz FVJWPCZKINOADB-OAHLLOKOSA-N 0 0 452.581 3.212 20 0 JGADRN CC(=O)NCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001301914230 1066943781 /nfs/dbraw/zinc/94/37/81/1066943781.db2.gz NNRGKKLWFFNCEF-VQIMIIECSA-N 0 0 475.663 3.088 20 0 JGADRN O=C(CNC(=O)C(=Cc1ccco1)NC(=O)c1ccccc1)c1cncc(Br)c1 ZINC001302347876 1066943882 /nfs/dbraw/zinc/94/38/82/1066943882.db2.gz CKALLRJHQPHUMD-VCHYOVAHSA-N 0 0 454.280 3.207 20 0 JGADRN CC(=O)NCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC(=O)NC(C)C ZINC001301914312 1066944004 /nfs/dbraw/zinc/94/40/04/1066944004.db2.gz PFTSREKYNXQDHG-UHFFFAOYSA-N 0 0 463.007 3.300 20 0 JGADRN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001301914852 1066944316 /nfs/dbraw/zinc/94/43/16/1066944316.db2.gz SPGDJFIPPDLVCM-MRXNPFEDSA-N 0 0 489.020 3.093 20 0 JGADRN CON(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCn1cc(Br)cn1 ZINC001302349847 1066944806 /nfs/dbraw/zinc/94/48/06/1066944806.db2.gz YMGVRRUXGSAMMV-QGZVFWFLSA-N 0 0 463.336 3.228 20 0 JGADRN CC(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001301915421 1066944889 /nfs/dbraw/zinc/94/48/89/1066944889.db2.gz YBBXWEBHRRKNML-DYESRHJHSA-N 0 0 468.533 3.136 20 0 JGADRN CC(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001301915314 1066944980 /nfs/dbraw/zinc/94/49/80/1066944980.db2.gz WHLATJQTWWTKRN-OXQOHEQNSA-N 0 0 455.538 3.158 20 0 JGADRN C[C@@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)Cc2c[nH]nc21 ZINC001302351140 1066945216 /nfs/dbraw/zinc/94/52/16/1066945216.db2.gz ZRFPZQDTSWWHPB-MRXNPFEDSA-N 0 0 458.971 3.400 20 0 JGADRN CC(=O)NCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001301915959 1066945785 /nfs/dbraw/zinc/94/57/85/1066945785.db2.gz FTZVNQOZQRSNOG-AWEZNQCLSA-N 0 0 458.563 3.039 20 0 JGADRN CC(C)(F)COc1ccc2c(c1)CCN(c1nnc([C@H]3CCS(=O)(=O)C3)n1CC(F)(F)F)C2 ZINC001302351699 1066946185 /nfs/dbraw/zinc/94/61/85/1066946185.db2.gz ZYQAMISPARASTQ-INIZCTEOSA-N 0 0 490.523 3.432 20 0 JGADRN CC(C)(O)CCn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001302352797 1066946474 /nfs/dbraw/zinc/94/64/74/1066946474.db2.gz IBYIYJUENQXPNI-OAHLLOKOSA-N 0 0 485.448 3.272 20 0 JGADRN CC(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301916711 1066946923 /nfs/dbraw/zinc/94/69/23/1066946923.db2.gz LYBBRLHVKDTNLX-SFHVURJKSA-N 0 0 460.579 3.208 20 0 JGADRN CC(C)(O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001302353891 1066947220 /nfs/dbraw/zinc/94/72/20/1066947220.db2.gz KHOIEVNZTHKEQH-DLBZAZTESA-N 0 0 462.392 3.116 20 0 JGADRN CC(C)(O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001302354091 1066947351 /nfs/dbraw/zinc/94/73/51/1066947351.db2.gz NQZZRNRPGWSYBI-UHFFFAOYSA-N 0 0 490.942 3.395 20 0 JGADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)c1 ZINC001302354713 1066948017 /nfs/dbraw/zinc/94/80/17/1066948017.db2.gz RKQDYCAZNIZRHP-NOZRDPDXSA-N 0 0 458.518 3.076 20 0 JGADRN CCOC(=O)[C@H](NC(=O)Cn1c2ccccc2nc1C1CCCCC1)[C@@H](O)c1cccnc1 ZINC001302355994 1066948457 /nfs/dbraw/zinc/94/84/57/1066948457.db2.gz HDQPLCGJVYAYDO-PKTZIBPZSA-N 0 0 450.539 3.261 20 0 JGADRN CCOC(=O)[C@H](NC(=O)CSc1ccc(Br)cc1C)[C@@H](O)c1cccnc1 ZINC001302356647 1066948565 /nfs/dbraw/zinc/94/85/65/1066948565.db2.gz PFMBMPMWDLOBFU-MSOLQXFVSA-N 0 0 453.358 3.026 20 0 JGADRN CON(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC001302356722 1066948926 /nfs/dbraw/zinc/94/89/26/1066948926.db2.gz ANKYJJAZTMRBBJ-IBGZPJMESA-N 0 0 452.559 3.140 20 0 JGADRN CON(C)c1nnc(Cn2ccc3ccccc32)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001302358972 1066949827 /nfs/dbraw/zinc/94/98/27/1066949827.db2.gz XBMSRJBESPLSRK-UHFFFAOYSA-N 0 0 450.490 3.439 20 0 JGADRN CC(C)(O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001302359129 1066950121 /nfs/dbraw/zinc/95/01/21/1066950121.db2.gz ALPRLPNPJMVSCG-LJQANCHMSA-N 0 0 494.061 3.212 20 0 JGADRN COCCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC001301918920 1066950278 /nfs/dbraw/zinc/95/02/78/1066950278.db2.gz FCXUVSJFBQBRKS-QFIPXVFZSA-N 0 0 471.005 3.073 20 0 JGADRN CC(C)(O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001302359406 1066950593 /nfs/dbraw/zinc/95/05/93/1066950593.db2.gz UKCCFNUYMJXQQX-UHFFFAOYSA-N 0 0 457.623 3.007 20 0 JGADRN COCCN1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)c2ccccn2)CC1 ZINC001301919631 1066951559 /nfs/dbraw/zinc/95/15/59/1066951559.db2.gz JCPUODGZRJOPPI-UHFFFAOYSA-N 0 0 452.578 3.149 20 0 JGADRN CO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)sc(C)c2Br)C1 ZINC001302360086 1066951499 /nfs/dbraw/zinc/95/14/99/1066951499.db2.gz NBQMGHFKBHUUNN-CQSZACIVSA-N 0 0 468.421 3.228 20 0 JGADRN COCCN1CCN(c2nnc(Cc3ccncc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001301919314 1066951670 /nfs/dbraw/zinc/95/16/70/1066951670.db2.gz QFQPURHXUFUIAG-OALUTQOASA-N 0 0 452.525 3.326 20 0 JGADRN CC(=O)NCCCn1c(-c2ccccn2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001301919392 1066951701 /nfs/dbraw/zinc/95/17/01/1066951701.db2.gz AEYJQKXCLQATJZ-NRFANRHFSA-N 0 0 452.534 3.191 20 0 JGADRN CC(C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001302362031 1066952293 /nfs/dbraw/zinc/95/22/93/1066952293.db2.gz GUUXMARVBUISEM-OAQYLSRUSA-N 0 0 465.392 3.253 20 0 JGADRN CCOC(=O)[C@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)[C@H](O)c1cccnc1 ZINC001302361624 1066952356 /nfs/dbraw/zinc/95/23/56/1066952356.db2.gz DKZLCENTRMEENX-RTBURBONSA-N 0 0 458.927 3.071 20 0 JGADRN CC(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001301920137 1066952907 /nfs/dbraw/zinc/95/29/07/1066952907.db2.gz IYRFERQHLFTULG-UHFFFAOYSA-N 0 0 474.487 3.367 20 0 JGADRN CC(C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001302363053 1066953186 /nfs/dbraw/zinc/95/31/86/1066953186.db2.gz VKTVOFPWWNWFOQ-UHFFFAOYSA-N 0 0 495.397 3.002 20 0 JGADRN CO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(NC(C)=O)cc2)C1 ZINC001302364851 1066955032 /nfs/dbraw/zinc/95/50/32/1066955032.db2.gz WWAZTVIYZOUJIB-QGZVFWFLSA-N 0 0 459.348 3.268 20 0 JGADRN CC(C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001302364655 1066955054 /nfs/dbraw/zinc/95/50/54/1066955054.db2.gz PKPAAQWLYPPZNP-UHFFFAOYSA-N 0 0 462.598 3.371 20 0 JGADRN CO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CCOCC2(C)C)C1 ZINC001302366630 1066955846 /nfs/dbraw/zinc/95/58/46/1066955846.db2.gz DTZWWXUFGZNTTE-GOSISDBHSA-N 0 0 478.435 3.352 20 0 JGADRN COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001301922744 1066956715 /nfs/dbraw/zinc/95/67/15/1066956715.db2.gz YRHULVZZABYKGV-QGZVFWFLSA-N 0 0 458.607 3.345 20 0 JGADRN CO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001302368001 1066957278 /nfs/dbraw/zinc/95/72/78/1066957278.db2.gz YHZLQMLRNIQMRT-MRXNPFEDSA-N 0 0 485.448 3.454 20 0 JGADRN CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCNC(=O)C(C)C)C1 ZINC001302367980 1066957452 /nfs/dbraw/zinc/95/74/52/1066957452.db2.gz XYJGCJYSZWHSEG-CYBMUJFWSA-N 0 0 456.410 3.157 20 0 JGADRN CC(=O)NCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001301923142 1066957513 /nfs/dbraw/zinc/95/75/13/1066957513.db2.gz AJJYHCOSSJGTGQ-LIRRHRJNSA-N 0 0 464.492 3.119 20 0 JGADRN Cc1cc(-c2cc(C(=O)N3CCCC[C@H]3CS(N)(=O)=O)c3cnn(C(C)C)c3n2)c(C)o1 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CC(C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001302489833 1067090869 /nfs/dbraw/zinc/09/08/69/1067090869.db2.gz WDVXKAAZXHQJFF-SANMLTNESA-N 0 0 491.596 3.188 20 0 JGADRN Cc1nc(CCn2c(C(C)C)nnc2N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc1C ZINC001304047379 1067090892 /nfs/dbraw/zinc/09/08/92/1067090892.db2.gz VSTWRNWADJFTRL-UHFFFAOYSA-N 0 0 492.646 3.368 20 0 JGADRN Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCc3sccc3C2)sc1C ZINC001304047291 1067091065 /nfs/dbraw/zinc/09/10/65/1067091065.db2.gz SEOLALCHWCAVEA-AWEZNQCLSA-N 0 0 480.685 3.219 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cc1C ZINC001304048478 1067091078 /nfs/dbraw/zinc/09/10/78/1067091078.db2.gz CSMFWVOZJNRDJR-UHFFFAOYSA-N 0 0 458.506 3.120 20 0 JGADRN CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(Cl)s2)C1 ZINC001302490141 1067091036 /nfs/dbraw/zinc/09/10/36/1067091036.db2.gz YEMHTOVBHHMJCW-ZBFHGGJFSA-N 0 0 474.052 3.049 20 0 JGADRN CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001302490001 1067091254 /nfs/dbraw/zinc/09/12/54/1067091254.db2.gz WTFZHBWXZLBZLN-VQTJNVASSA-N 0 0 452.397 3.070 20 0 JGADRN CS(=O)(=O)NCCCn1c(-c2cccc(Br)c2)nnc1N1CCC2(CCCC2)C1 ZINC001302490814 1067091487 /nfs/dbraw/zinc/09/14/87/1067091487.db2.gz FRFBHUSEFAHFST-UHFFFAOYSA-N 0 0 482.448 3.417 20 0 JGADRN CS(=O)(=O)NCCCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccccc1)C1CC1 ZINC001302491063 1067091503 /nfs/dbraw/zinc/09/15/03/1067091503.db2.gz MXGUYVUMKPNOIQ-UHFFFAOYSA-N 0 0 493.431 3.144 20 0 JGADRN CS(=O)(=O)NCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(F)(F)CC1 ZINC001302490979 1067091520 /nfs/dbraw/zinc/09/15/20/1067091520.db2.gz MAUKEEVQJHLLAP-UHFFFAOYSA-N 0 0 496.353 3.022 20 0 JGADRN CS(=O)(=O)NCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCSc2ccccc2)CC1 ZINC001302491139 1067091619 /nfs/dbraw/zinc/09/16/19/1067091619.db2.gz OIJAONDZZKQGFK-HXUWFJFHSA-N 0 0 493.699 3.120 20 0 JGADRN Cc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3ccccc3F)C2)sc1C ZINC001304048804 1067091656 /nfs/dbraw/zinc/09/16/56/1067091656.db2.gz CSJNCIQLHGGTKY-GOSISDBHSA-N 0 0 458.563 3.255 20 0 JGADRN CS(=O)(=O)NCC1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCCS2)CC1 ZINC001302491354 1067091899 /nfs/dbraw/zinc/09/18/99/1067091899.db2.gz TXZDYMGUYWDWSW-LJQANCHMSA-N 0 0 455.694 3.062 20 0 JGADRN CS(=O)(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(Cl)cc2)CC1 ZINC001302491357 1067092096 /nfs/dbraw/zinc/09/20/96/1067092096.db2.gz UBHSZCDNMKMWAO-UHFFFAOYSA-N 0 0 475.018 3.002 20 0 JGADRN Cc1nc(CCn2c(N3CCO[C@H](C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001304049921 1067092270 /nfs/dbraw/zinc/09/22/70/1067092270.db2.gz MZBXHPJROCVRPT-WMZHIEFXSA-N 0 0 463.648 3.496 20 0 JGADRN Cc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)sc1C ZINC001304050253 1067092318 /nfs/dbraw/zinc/09/23/18/1067092318.db2.gz OKGPWAWPFCOLBE-QGZVFWFLSA-N 0 0 460.991 3.208 20 0 JGADRN CC(C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001302492297 1067092321 /nfs/dbraw/zinc/09/23/21/1067092321.db2.gz KSIVASPSJONPNW-HJPURHCSSA-N 0 0 484.992 3.046 20 0 JGADRN CC(C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001302492299 1067092333 /nfs/dbraw/zinc/09/23/33/1067092333.db2.gz KSIVASPSJONPNW-QMHKHESXSA-N 0 0 484.992 3.046 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 ZINC001302491721 1067092444 /nfs/dbraw/zinc/09/24/44/1067092444.db2.gz BITKTUJEGMTMLN-NBGIEHNGSA-N 0 0 473.593 3.326 20 0 JGADRN Cc1nc(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)sc1C ZINC001304050663 1067092609 /nfs/dbraw/zinc/09/26/09/1067092609.db2.gz BFWMTXYQGSHUAK-CRAIPNDOSA-N 0 0 490.655 3.139 20 0 JGADRN Cc1nc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)sc1C ZINC001304051417 1067092947 /nfs/dbraw/zinc/09/29/47/1067092947.db2.gz YFBSSWBNFYKBRB-CQSZACIVSA-N 0 0 475.018 3.493 20 0 JGADRN Cc1nc(Cn2c(C(C)C)nnc2N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)sc1C ZINC001304051918 1067093571 /nfs/dbraw/zinc/09/35/71/1067093571.db2.gz VUWUVTLEOYVQPQ-KRWDZBQOSA-N 0 0 459.664 3.092 20 0 JGADRN CS(=O)(=O)NCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(C1)CCCCC2 ZINC001302494754 1067093450 /nfs/dbraw/zinc/09/34/50/1067093450.db2.gz CQGRFYUTJJTJKT-UHFFFAOYSA-N 0 0 469.558 3.256 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001302494836 1067093523 /nfs/dbraw/zinc/09/35/23/1067093523.db2.gz AXWRIWSLVXYGLR-YZZKKUAISA-N 0 0 451.612 3.025 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001302494833 1067093612 /nfs/dbraw/zinc/09/36/12/1067093612.db2.gz AXWRIWSLVXYGLR-IEGUWTFLSA-N 0 0 451.612 3.025 20 0 JGADRN CS(=O)(=O)NCCCn1c(C2CCCC2)nnc1N(Cc1ccc(F)cc1F)C1CC1 ZINC001302494628 1067093704 /nfs/dbraw/zinc/09/37/04/1067093704.db2.gz LZORXSLVDZZGQV-UHFFFAOYSA-N 0 0 453.559 3.322 20 0 JGADRN Cc1nc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(=O)NCCCOC(C)C)CC2)sc1C ZINC001304052134 1067093867 /nfs/dbraw/zinc/09/38/67/1067093867.db2.gz MUJXUYPOAMHKKZ-HXUWFJFHSA-N 0 0 490.674 3.051 20 0 JGADRN CC(C)[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001302496810 1067095159 /nfs/dbraw/zinc/09/51/59/1067095159.db2.gz JQCWMFFYTSIOBZ-GCJKJVERSA-N 0 0 451.518 3.280 20 0 JGADRN CS(=O)(=O)NCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001302496580 1067095285 /nfs/dbraw/zinc/09/52/85/1067095285.db2.gz XOGOGRFYBASJRW-LJQANCHMSA-N 0 0 468.023 3.106 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001302496812 1067095317 /nfs/dbraw/zinc/09/53/17/1067095317.db2.gz JQCWMFFYTSIOBZ-XMSQKQJNSA-N 0 0 451.518 3.280 20 0 JGADRN Cc1nc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3CCCC3(C)C)CC2)sc1C ZINC001304055236 1067095689 /nfs/dbraw/zinc/09/56/89/1067095689.db2.gz FGLIXUOLZMSCKJ-WMZOPIPTSA-N 0 0 495.719 3.115 20 0 JGADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cnn4c3CCCC4)c2)cc1 ZINC001304055407 1067095736 /nfs/dbraw/zinc/09/57/36/1067095736.db2.gz BWCWKKNQYNFRJQ-UHFFFAOYSA-N 0 0 454.552 3.349 20 0 JGADRN CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001302497573 1067096090 /nfs/dbraw/zinc/09/60/90/1067096090.db2.gz LVNMYXBXLRDLAI-HYBUGGRVSA-N 0 0 460.594 3.292 20 0 JGADRN CS(=O)(=O)NCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001302497418 1067096135 /nfs/dbraw/zinc/09/61/35/1067096135.db2.gz WKLZSKUTQVYKQG-CVEARBPZSA-N 0 0 482.448 3.273 20 0 JGADRN Cc1nc(N2CCN(c3nnc(CC4CC4)n3CCN(C)CC(F)(F)F)CC2)sc1C ZINC001304056281 1067096209 /nfs/dbraw/zinc/09/62/09/1067096209.db2.gz RLTSKOKFCBUHDQ-UHFFFAOYSA-N 0 0 457.570 3.125 20 0 JGADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)F)n1C[C@@H]1CSCCS1 ZINC001304056458 1067096466 /nfs/dbraw/zinc/09/64/66/1067096466.db2.gz BJUOWFHOCKAISX-CQSZACIVSA-N 0 0 490.671 3.487 20 0 JGADRN CC(C)[C@@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001302497812 1067096372 /nfs/dbraw/zinc/09/63/72/1067096372.db2.gz NTFNGDQIIFVJII-JPYJTQIMSA-N 0 0 451.612 3.230 20 0 JGADRN CC(C)[C@@](C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001302497813 1067096440 /nfs/dbraw/zinc/09/64/40/1067096440.db2.gz NTFNGDQIIFVJII-MBSDFSHPSA-N 0 0 451.612 3.230 20 0 JGADRN CC(C)[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001302498268 1067096486 /nfs/dbraw/zinc/09/64/86/1067096486.db2.gz RKUYDKZMKFYKGV-XDHUDOTRSA-N 0 0 461.557 3.145 20 0 JGADRN CS(=O)(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001302497956 1067096513 /nfs/dbraw/zinc/09/65/13/1067096513.db2.gz IQPLGFKLRJOENK-INIZCTEOSA-N 0 0 459.950 3.019 20 0 JGADRN Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3CC3([S@](C)=O)CC3)CC2)sc1C ZINC001304056609 1067096884 /nfs/dbraw/zinc/09/68/84/1067096884.db2.gz VYDKINGLHJWLNE-PMERELPUSA-N 0 0 450.678 3.178 20 0 JGADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC(=O)N(C)C ZINC001304057138 1067097304 /nfs/dbraw/zinc/09/73/04/1067097304.db2.gz IQWVIGYRBHHPLA-OAHLLOKOSA-N 0 0 454.600 3.469 20 0 JGADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCCCCCO ZINC001304057219 1067097379 /nfs/dbraw/zinc/09/73/79/1067097379.db2.gz KINXDKSGXZQMJX-UHFFFAOYSA-N 0 0 492.690 3.493 20 0 JGADRN CS(=O)(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 ZINC001302499269 1067097659 /nfs/dbraw/zinc/09/76/59/1067097659.db2.gz NNLWGJJFLQIQFL-YLJYHZDGSA-N 0 0 465.595 3.095 20 0 JGADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(CC(C)C)C(C)C)n1C[C@@]1(O)CCSC1 ZINC001304057289 1067097757 /nfs/dbraw/zinc/09/77/57/1067097757.db2.gz MLLLGNGAZKDELI-QFIPXVFZSA-N 0 0 480.704 3.285 20 0 JGADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC(C)(C)O ZINC001304057471 1067098024 /nfs/dbraw/zinc/09/80/24/1067098024.db2.gz RTMHVOZFPKMLJP-OAHLLOKOSA-N 0 0 454.600 3.205 20 0 JGADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC(N)=O)n1CCNC(=O)C(C)(C)C ZINC001304057719 1067099210 /nfs/dbraw/zinc/09/92/10/1067099210.db2.gz AFLXWEBMFARHPS-HNNXBMFYSA-N 0 0 483.642 3.239 20 0 JGADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H]2CCOC2)n1CCC(C)(F)F ZINC001304057874 1067099405 /nfs/dbraw/zinc/09/94/05/1067099405.db2.gz 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C[S@@](=O)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC001302511352 1067121267 /nfs/dbraw/zinc/12/12/67/1067121267.db2.gz QNPOLAIFHMPLIV-ZUQCGGBESA-N 0 0 465.501 3.034 20 0 JGADRN C[S@@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC001302511423 1067121762 /nfs/dbraw/zinc/12/17/62/1067121762.db2.gz SJMCTXHHWRMIDK-DHYKOVJISA-N 0 0 473.687 3.095 20 0 JGADRN C[S@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC001302511617 1067122279 /nfs/dbraw/zinc/12/22/79/1067122279.db2.gz VKHAKCJYWYLLDT-DHUJRADRSA-N 0 0 494.665 3.151 20 0 JGADRN C[S@@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC001302511618 1067122318 /nfs/dbraw/zinc/12/23/18/1067122318.db2.gz VKHAKCJYWYLLDT-PGUFJCEWSA-N 0 0 494.665 3.151 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC(F)(F)C2)cnn1C ZINC001304078003 1067122997 /nfs/dbraw/zinc/12/29/97/1067122997.db2.gz MLLBGIYRYNEMMR-UHFFFAOYSA-N 0 0 464.542 3.072 20 0 JGADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(Cl)cn2)CC1 ZINC001302511659 1067123071 /nfs/dbraw/zinc/12/30/71/1067123071.db2.gz VFKMCUYDGMFUKE-IEBWSBKVSA-N 0 0 478.041 3.099 20 0 JGADRN CSC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001302512259 1067123709 /nfs/dbraw/zinc/12/37/09/1067123709.db2.gz YBXUEIHMMQLIEU-JOCHJYFZSA-N 0 0 466.051 3.395 20 0 JGADRN Cc1occc1CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C ZINC001304078780 1067123694 /nfs/dbraw/zinc/12/36/94/1067123694.db2.gz RGUKGVOOSWDAEU-IIBYNOLFSA-N 0 0 473.599 3.158 20 0 JGADRN CCCN(CC)c1ccc(C(=O)N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001304079429 1067123727 /nfs/dbraw/zinc/12/37/27/1067123727.db2.gz LQFYWLSLTWAVNK-HXUWFJFHSA-N 0 0 459.587 3.405 20 0 JGADRN CSC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001302511926 1067123738 /nfs/dbraw/zinc/12/37/38/1067123738.db2.gz CLDRPRKGBZDQHK-DOTOQJQBSA-N 0 0 469.652 3.238 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nncn1C ZINC001304079481 1067124283 /nfs/dbraw/zinc/12/42/83/1067124283.db2.gz USEPLBPYLGMRGX-UHFFFAOYSA-N 0 0 459.377 3.286 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccn2)cnn1C ZINC001304079620 1067124346 /nfs/dbraw/zinc/12/43/46/1067124346.db2.gz OZCMWWQWQFYKET-UHFFFAOYSA-N 0 0 455.364 3.352 20 0 JGADRN CSC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001302512309 1067124781 /nfs/dbraw/zinc/12/47/81/1067124781.db2.gz YYBVZIAQXNODDH-WMZOPIPTSA-N 0 0 456.616 3.004 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)cnn1C ZINC001304080006 1067125170 /nfs/dbraw/zinc/12/51/70/1067125170.db2.gz WKFIFBGDRDVAEX-INIZCTEOSA-N 0 0 463.007 3.102 20 0 JGADRN COC(=O)[C@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001304079839 1067125236 /nfs/dbraw/zinc/12/52/36/1067125236.db2.gz MMJHUJXQAAFJLZ-CQSZACIVSA-N 0 0 457.354 3.404 20 0 JGADRN CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1)c1cccnc1 ZINC001302512768 1067125561 /nfs/dbraw/zinc/12/55/61/1067125561.db2.gz FNQLZSFYDSNKND-AEFFLSMTSA-N 0 0 486.418 3.193 20 0 JGADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(O)cc2)CC1 ZINC001302512892 1067126071 /nfs/dbraw/zinc/12/60/71/1067126071.db2.gz ZPKKGVMXWSRKHA-RXVVDRJESA-N 0 0 455.603 3.303 20 0 JGADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2CCOC2=O)CC1 ZINC001302512906 1067126082 /nfs/dbraw/zinc/12/60/82/1067126082.db2.gz ZYEXNQHKDJMAQR-GOSISDBHSA-N 0 0 460.623 3.155 20 0 JGADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(O)cc2)CC1 ZINC001302512893 1067126098 /nfs/dbraw/zinc/12/60/98/1067126098.db2.gz ZPKKGVMXWSRKHA-WIYYLYMNSA-N 0 0 455.603 3.303 20 0 JGADRN COC(=O)[C@H]1CN(C(=O)c2cc3ccccc3nc2Cl)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001304081062 1067126310 /nfs/dbraw/zinc/12/63/10/1067126310.db2.gz TYJZZZXQESTEAB-MRXNPFEDSA-N 0 0 459.930 3.370 20 0 JGADRN COC(=O)[C@@H]1CN(C(=O)c2ccn(Cc3ccccc3)c2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001304081383 1067127075 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VWODWLMVDKDIJI-LLVKDONJSA-N 0 0 494.590 3.418 20 0 JGADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCOCC2)cnn1C ZINC001304082122 1067128763 /nfs/dbraw/zinc/12/87/63/1067128763.db2.gz UUUQZYNWGWXLGW-KRWDZBQOSA-N 0 0 474.993 3.291 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001304082178 1067128835 /nfs/dbraw/zinc/12/88/35/1067128835.db2.gz WPLRRAMTOQWKMM-QGZVFWFLSA-N 0 0 492.573 3.035 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC(F)(F)C(F)F)cnn1C ZINC001304082450 1067129432 /nfs/dbraw/zinc/12/94/32/1067129432.db2.gz FGCNOUDAWZEXFF-UHFFFAOYSA-N 0 0 498.481 3.312 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(O)CCOC2)cnn1C ZINC001304082463 1067129626 /nfs/dbraw/zinc/12/96/26/1067129626.db2.gz FRQQYUQVRXJLGK-RUZDIDTESA-N 0 0 468.602 3.200 20 0 JGADRN CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1cccnc1 ZINC001302514435 1067131386 /nfs/dbraw/zinc/13/13/86/1067131386.db2.gz QBTDEASOPUXXKS-QFBILLFUSA-N 0 0 453.978 3.495 20 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COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC001304090122 1067133866 /nfs/dbraw/zinc/13/38/66/1067133866.db2.gz ATGJDMAKIXNZGJ-HXUWFJFHSA-N 0 0 450.499 3.126 20 0 JGADRN Cc1[nH]nc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1-c1ccc(F)cc1 ZINC001304090550 1067133899 /nfs/dbraw/zinc/13/38/99/1067133899.db2.gz JIGXERYRDLLYKQ-SFHVURJKSA-N 0 0 458.515 3.234 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 ZINC001304091241 1067133955 /nfs/dbraw/zinc/13/39/55/1067133955.db2.gz BNLWCEQAZJEGTM-SJORKVTESA-N 0 0 478.619 3.167 20 0 JGADRN CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(N)=O)C1)c1cccnc1 ZINC001302515561 1067133870 /nfs/dbraw/zinc/13/38/70/1067133870.db2.gz ZCLHJZACUDCWKB-DOTOQJQBSA-N 0 0 472.391 3.182 20 0 JGADRN Cc1c(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)cnn1C ZINC001304089338 1067133974 /nfs/dbraw/zinc/13/39/74/1067133974.db2.gz VUVWVHIWJHWORC-UTKZUKDTSA-N 0 0 473.572 3.432 20 0 JGADRN 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CS[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCOCC1)C(C)(C)C ZINC001302579435 1067217159 /nfs/dbraw/zinc/21/71/59/1067217159.db2.gz QRXCKLZTGJTVPX-GOSISDBHSA-N 0 0 456.616 3.196 20 0 JGADRN CS[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1)C(C)(C)C ZINC001302579399 1067217267 /nfs/dbraw/zinc/21/72/67/1067217267.db2.gz QEEAZMFFAUAWHJ-NRFANRHFSA-N 0 0 496.685 3.498 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001304169685 1067217548 /nfs/dbraw/zinc/21/75/48/1067217548.db2.gz YJVMLVYVSADGRN-FQEVSTJZSA-N 0 0 476.643 3.304 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2CCN2CCOC[C@H]2C)c1 ZINC001304169657 1067217584 /nfs/dbraw/zinc/21/75/84/1067217584.db2.gz YAWOIPSDYOHXHV-JOCHJYFZSA-N 0 0 471.646 3.448 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2Cc2ccc(C(N)=O)nc2)c1 ZINC001304169870 1067217739 /nfs/dbraw/zinc/21/77/39/1067217739.db2.gz XFCWNXAVGSMGIS-FQEVSTJZSA-N 0 0 464.570 3.021 20 0 JGADRN CS[C@@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)C(C)(C)C ZINC001302579756 1067217683 /nfs/dbraw/zinc/21/76/83/1067217683.db2.gz KNSXEPGWDMRFTA-ICSRJNTNSA-N 0 0 462.708 3.456 20 0 JGADRN CS[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)(C)C ZINC001302580238 1067218085 /nfs/dbraw/zinc/21/80/85/1067218085.db2.gz MJXVDOSMJJQIMC-LSDHHAIUSA-N 0 0 464.602 3.267 20 0 JGADRN CS[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1)C(C)(C)C ZINC001302580001 1067218165 /nfs/dbraw/zinc/21/81/65/1067218165.db2.gz LHJGHWUVSCJONB-RBUKOAKNSA-N 0 0 488.658 3.179 20 0 JGADRN CS[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)C(C)(C)C ZINC001302580644 1067218598 /nfs/dbraw/zinc/21/85/98/1067218598.db2.gz NZBQPUGLKNQLAC-OJXHOQKUSA-N 0 0 463.673 3.381 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[C@H](C(F)F)N2CCOCC2)c1 ZINC001304170916 1067218655 /nfs/dbraw/zinc/21/86/55/1067218655.db2.gz PCYJYNKFTXAWMN-RZUBCFFCSA-N 0 0 493.599 3.444 20 0 JGADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)cc2C1 ZINC001304170994 1067218680 /nfs/dbraw/zinc/21/86/80/1067218680.db2.gz YJHVQYPAPSPRQH-KRWDZBQOSA-N 0 0 459.934 3.279 20 0 JGADRN CS[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)C(C)(C)C ZINC001302580642 1067218659 /nfs/dbraw/zinc/21/86/59/1067218659.db2.gz NZBQPUGLKNQLAC-NQARNYTMSA-N 0 0 463.673 3.381 20 0 JGADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001304170692 1067218754 /nfs/dbraw/zinc/21/87/54/1067218754.db2.gz AAEJCQWNUCNIPG-WJFTUGDTSA-N 0 0 469.623 3.410 20 0 JGADRN CS[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)C(C)(C)C ZINC001302580685 1067219176 /nfs/dbraw/zinc/21/91/76/1067219176.db2.gz ONESPXMFSHHGIO-LSDHHAIUSA-N 0 0 464.602 3.267 20 0 JGADRN CS[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)CC1)C(C)(C)C ZINC001302581412 1067219225 /nfs/dbraw/zinc/21/92/25/1067219225.db2.gz BZADIJSIMPQVLP-HXUWFJFHSA-N 0 0 459.616 3.163 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@@H]4C3)n2CCCOCC(C)C)c1 ZINC001304171795 1067219691 /nfs/dbraw/zinc/21/96/91/1067219691.db2.gz TXJVDNZOEHTGGU-IFMALSPDSA-N 0 0 455.603 3.251 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C4CC4)O[C@@H](C)C3)n2CCC(=O)NC(C)C)c1 ZINC001304171626 1067219705 /nfs/dbraw/zinc/21/97/05/1067219705.db2.gz SMVQMUWQOUBFLB-UGKGYDQZSA-N 0 0 455.603 3.392 20 0 JGADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC(=O)N(C)C[C@H]2C)c(C)o1 ZINC001304171780 1067219747 /nfs/dbraw/zinc/21/97/47/1067219747.db2.gz TVFDRZLRWYXSDG-DWXRJYCRSA-N 0 0 481.597 3.258 20 0 JGADRN CS[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)C(C)(C)C ZINC001302581869 1067220047 /nfs/dbraw/zinc/22/00/47/1067220047.db2.gz SSCQDHMUJMLWPW-MRXNPFEDSA-N 0 0 481.736 3.197 20 0 JGADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cn1c2ccccc2nc1SC(F)F ZINC001304171978 1067220141 /nfs/dbraw/zinc/22/01/41/1067220141.db2.gz TXNJTUHMNSWIEH-UKRRQHHQSA-N 0 0 456.515 3.102 20 0 JGADRN CS[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C(C)(C)C ZINC001302581490 1067220183 /nfs/dbraw/zinc/22/01/83/1067220183.db2.gz CUFSENQHZZFGQV-KSSFIOAISA-N 0 0 468.645 3.321 20 0 JGADRN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC001304173583 1067221040 /nfs/dbraw/zinc/22/10/40/1067221040.db2.gz YLNXETUQOXWVRQ-VFVRVIDISA-N 0 0 453.358 3.087 20 0 JGADRN CS[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001302582197 1067221089 /nfs/dbraw/zinc/22/10/89/1067221089.db2.gz WRLYIENIJKXCIB-IXDOHACOSA-N 0 0 480.679 3.453 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 ZINC001304173833 1067221568 /nfs/dbraw/zinc/22/15/68/1067221568.db2.gz GDIHLUBWKOXFQH-SFHVURJKSA-N 0 0 494.518 3.241 20 0 JGADRN CS[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1)C(C)(C)C ZINC001302582347 1067221626 /nfs/dbraw/zinc/22/16/26/1067221626.db2.gz VAJCMUIPJGCGGT-SFHVURJKSA-N 0 0 489.690 3.250 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001304174009 1067221934 /nfs/dbraw/zinc/22/19/34/1067221934.db2.gz KHUBFAUMRNIKFR-MHZLTWQESA-N 0 0 496.656 3.035 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCNC(=O)c2ccn[nH]2)c1 ZINC001304173934 1067221996 /nfs/dbraw/zinc/22/19/96/1067221996.db2.gz IOAKUUXHECZHBC-LJQANCHMSA-N 0 0 465.602 3.499 20 0 JGADRN CS[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)C(C)(C)C ZINC001302583181 1067222016 /nfs/dbraw/zinc/22/20/16/1067222016.db2.gz ZAXGBNWRNRWWMG-BARDWOONSA-N 0 0 467.652 3.394 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC2(O)CCOCC2)c1 ZINC001304173939 1067222025 /nfs/dbraw/zinc/22/20/25/1067222025.db2.gz IRIHRTMERGEMRZ-UHFFFAOYSA-N 0 0 499.656 3.099 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N4CCOCC4)CC3)n2CC(C)C)c1 ZINC001304174298 1067222439 /nfs/dbraw/zinc/22/24/39/1067222439.db2.gz OPWJEMJWESOKQN-UHFFFAOYSA-N 0 0 455.603 3.205 20 0 JGADRN CS[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)(C)C ZINC001302583367 1067222448 /nfs/dbraw/zinc/22/24/48/1067222448.db2.gz KFWSDSWVPIPJNF-HNAYVOBHSA-N 0 0 459.616 3.161 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2CCN2CCOC[C@@H]2C)c1 ZINC001304174285 1067222489 /nfs/dbraw/zinc/22/24/89/1067222489.db2.gz CFWLEZNJJVWRSO-QFIPXVFZSA-N 0 0 471.646 3.184 20 0 JGADRN CS[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)C(C)(C)C ZINC001302584778 1067223371 /nfs/dbraw/zinc/22/33/71/1067223371.db2.gz YURNIACKHXVHRD-WBVHZDCISA-N 0 0 472.619 3.156 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](Oc4ccccn4)C3)n2CCNC(=O)C(C)C)c1 ZINC001304175139 1067223716 /nfs/dbraw/zinc/22/37/16/1067223716.db2.gz RKKSKGKCPDKOHJ-OAQYLSRUSA-N 0 0 478.597 3.299 20 0 JGADRN CS[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1)C(C)(C)C ZINC001302587558 1067224304 /nfs/dbraw/zinc/22/43/04/1067224304.db2.gz CHFQAKOEODSPDO-ROUUACIJSA-N 0 0 457.604 3.311 20 0 JGADRN CS[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O)C(C)(C)C ZINC001302587360 1067224350 /nfs/dbraw/zinc/22/43/50/1067224350.db2.gz AZWGLNODAWPLQP-IXDOHACOSA-N 0 0 498.694 3.064 20 0 JGADRN CS[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1)C(C)(C)C ZINC001302587556 1067224379 /nfs/dbraw/zinc/22/43/79/1067224379.db2.gz CHFQAKOEODSPDO-MSOLQXFVSA-N 0 0 457.604 3.311 20 0 JGADRN CS[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1)C(C)(C)C ZINC001302587706 1067224650 /nfs/dbraw/zinc/22/46/50/1067224650.db2.gz DQQADTJJTBXVBE-IAGOWNOFSA-N 0 0 487.717 3.087 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2Cc2ccsc2)c1 ZINC001304175896 1067225222 /nfs/dbraw/zinc/22/52/22/1067225222.db2.gz YCOVNCWXLOPIIC-UHFFFAOYSA-N 0 0 475.640 3.102 20 0 JGADRN CS[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1)C(C)(C)C ZINC001302588772 1067225865 /nfs/dbraw/zinc/22/58/65/1067225865.db2.gz PEXPPJAPOPLILI-MSOLQXFVSA-N 0 0 473.709 3.159 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 ZINC001304177215 1067225994 /nfs/dbraw/zinc/22/59/94/1067225994.db2.gz MNZDMDZKQXSTGZ-ZWKOTPCHSA-N 0 0 468.570 3.390 20 0 JGADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001304177145 1067226065 /nfs/dbraw/zinc/22/60/65/1067226065.db2.gz LWYQZTUCYNZUDF-DFBJGRDBSA-N 0 0 455.603 3.117 20 0 JGADRN CS[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1)C(C)(C)C ZINC001302589394 1067226089 /nfs/dbraw/zinc/22/60/89/1067226089.db2.gz XCZUSXFRJCULMH-GBESFXJTSA-N 0 0 487.736 3.261 20 0 JGADRN CS[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)C(C)(C)C ZINC001302589342 1067226140 /nfs/dbraw/zinc/22/61/40/1067226140.db2.gz WMEWKWNYWCMVDC-NHCUHLMSSA-N 0 0 469.659 3.452 20 0 JGADRN CS[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C)CC1)C(C)(C)C ZINC001302589280 1067226267 /nfs/dbraw/zinc/22/62/67/1067226267.db2.gz VMVCNJRUJRVCNM-HXUWFJFHSA-N 0 0 466.659 3.467 20 0 JGADRN 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OKVOPSZCZKGMHQ-GOSISDBHSA-N 0 0 454.566 3.482 20 0 JGADRN FC(F)(F)COc1cc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C(F)(F)F)C2)ccn1 ZINC001302937749 1067511280 /nfs/dbraw/zinc/51/12/80/1067511280.db2.gz ONVFJMJAGRWTFA-KGLIPLIRSA-N 0 0 481.397 3.282 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1ccc(N2CCOC2=O)cc1 ZINC001302938235 1067511746 /nfs/dbraw/zinc/51/17/46/1067511746.db2.gz HRMPRPLUSNGRRA-UHFFFAOYSA-N 0 0 468.602 3.176 20 0 JGADRN FC(F)(F)CN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2=CCCOC2)CC1 ZINC001302938796 1067512162 /nfs/dbraw/zinc/51/21/62/1067512162.db2.gz YNEVWIKHRDCBLM-UHFFFAOYSA-N 0 0 456.900 3.415 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(N(C)C)nc2)cc1 ZINC001304433331 1067512169 /nfs/dbraw/zinc/51/21/69/1067512169.db2.gz DIHBBWRYDDREAA-SFHVURJKSA-N 0 0 465.627 3.055 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001302939075 1067512627 /nfs/dbraw/zinc/51/26/27/1067512627.db2.gz AKHCRICVKNPWAQ-UHFFFAOYSA-N 0 0 488.658 3.367 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001302939071 1067512660 /nfs/dbraw/zinc/51/26/60/1067512660.db2.gz AJHUBRQEWVTWFT-GOSISDBHSA-N 0 0 451.493 3.002 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001302939121 1067513132 /nfs/dbraw/zinc/51/31/32/1067513132.db2.gz AZZLXLGPQMMPML-WOJBJXKFSA-N 0 0 455.603 3.350 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC(Cn4cccn4)CC3)n2CCS(C)(=O)=O)cc1 ZINC001304434230 1067513456 /nfs/dbraw/zinc/51/34/56/1067513456.db2.gz OKOWLBGOAYVFSF-UHFFFAOYSA-N 0 0 474.656 3.037 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001304434261 1067513615 /nfs/dbraw/zinc/51/36/15/1067513615.db2.gz LDJXISVHOONPTG-GOSISDBHSA-N 0 0 488.658 3.461 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302939821 1067513753 /nfs/dbraw/zinc/51/37/53/1067513753.db2.gz LPDRAGQTLPGXOB-UHFFFAOYSA-N 0 0 468.646 3.116 20 0 JGADRN 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ZINC001304435386 1067514482 /nfs/dbraw/zinc/51/44/82/1067514482.db2.gz VVQMGQQBFUOKIO-FQEVSTJZSA-N 0 0 467.643 3.449 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H]2CC23CCOCC3)cc1 ZINC001304435640 1067514574 /nfs/dbraw/zinc/51/45/74/1067514574.db2.gz ZUNNZWMRGGDXKM-SFHVURJKSA-N 0 0 464.657 3.176 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@]2(O)CCC[C@H]2C)cc1 ZINC001304435094 1067514584 /nfs/dbraw/zinc/51/45/84/1067514584.db2.gz RDJYBZYUJFCEFV-GCJKJVERSA-N 0 0 466.673 3.301 20 0 JGADRN CC(C)n1cc(CNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c(=O)[nH]c1=O ZINC001302940447 1067514652 /nfs/dbraw/zinc/51/46/52/1067514652.db2.gz DPZPYPKVQNRYFN-UHFFFAOYSA-N 0 0 454.552 3.483 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCNC(=O)C2CC2)cc1 ZINC001304436823 1067515346 /nfs/dbraw/zinc/51/53/46/1067515346.db2.gz GUEGVVRMCCJNPP-QGZVFWFLSA-N 0 0 496.603 3.478 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001304436791 1067515597 /nfs/dbraw/zinc/51/55/97/1067515597.db2.gz CAZPVOGWPVEAJA-SFHVURJKSA-N 0 0 470.643 3.016 20 0 JGADRN FC(F)(F)CSCCn1c(CCOc2ccccc2)nnc1N1CCN(c2ncccn2)CC1 ZINC001302942180 1067516061 /nfs/dbraw/zinc/51/60/61/1067516061.db2.gz YGVNVGKWDBJUNM-UHFFFAOYSA-N 0 0 493.559 3.312 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCC(=O)N(C)C)cc1 ZINC001304437153 1067516243 /nfs/dbraw/zinc/51/62/43/1067516243.db2.gz NAJFPCUCPCXHDB-KRWDZBQOSA-N 0 0 484.592 3.430 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001304437297 1067516597 /nfs/dbraw/zinc/51/65/97/1067516597.db2.gz BVAWQBVKFXZZRV-AZUAARDMSA-N 0 0 484.670 3.241 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@](C)(O)c2ccco2)cc1 ZINC001304437453 1067516860 /nfs/dbraw/zinc/51/68/60/1067516860.db2.gz HFDXYRIAUOFGSI-SBUREZEXSA-N 0 0 455.584 3.081 20 0 JGADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCSc3ccc(C)cc3)CCO2)n1 ZINC001304438092 1067517539 /nfs/dbraw/zinc/51/75/39/1067517539.db2.gz 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Cc1ccc(SCc2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@@H]2C[C@@H]2C)cc1 ZINC001304438582 1067518641 /nfs/dbraw/zinc/51/86/41/1067518641.db2.gz ZUASBWSYTHLFLV-PMACEKPBSA-N 0 0 456.660 3.181 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@@H]2C[C@H]2C)cc1 ZINC001304438583 1067518709 /nfs/dbraw/zinc/51/87/09/1067518709.db2.gz ZUASBWSYTHLFLV-UXHICEINSA-N 0 0 456.660 3.181 20 0 JGADRN CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1CCCN(C)c1ccccc1 ZINC001302945745 1067518739 /nfs/dbraw/zinc/51/87/39/1067518739.db2.gz JFWLJZRNYCTKSC-HSZRJFAPSA-N 0 0 481.689 3.136 20 0 JGADRN CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCc1ccc(Cl)cc1 ZINC001302945882 1067519135 /nfs/dbraw/zinc/51/91/35/1067519135.db2.gz LBUCOEMYJYOSCC-GOSISDBHSA-N 0 0 459.038 3.162 20 0 JGADRN Cc1ccc(SCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCSC3)C2)cc1 ZINC001304439018 1067519324 /nfs/dbraw/zinc/51/93/24/1067519324.db2.gz SLTARVNKTPHEJT-DYESRHJHSA-N 0 0 481.713 3.322 20 0 JGADRN 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ZINC001302955917 1067528048 /nfs/dbraw/zinc/52/80/48/1067528048.db2.gz CBCCVNLZIWBBRG-LJQANCHMSA-N 0 0 495.441 3.160 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 ZINC001304447297 1067528369 /nfs/dbraw/zinc/52/83/69/1067528369.db2.gz QNGSRGWMLHNQRA-UHFFFAOYSA-N 0 0 462.602 3.239 20 0 JGADRN Cc1cccc(C)c1OCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001304447378 1067528644 /nfs/dbraw/zinc/52/86/44/1067528644.db2.gz DWKBFBXRQWIQMA-IAGOWNOFSA-N 0 0 469.508 3.268 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001304447912 1067528963 /nfs/dbraw/zinc/52/89/63/1067528963.db2.gz XQTXFUBKVQNBFB-LJQANCHMSA-N 0 0 452.603 3.179 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001304447928 1067528973 /nfs/dbraw/zinc/52/89/73/1067528973.db2.gz YLNHKTDXPDJMER-UHFFFAOYSA-N 0 0 480.638 3.491 20 0 JGADRN Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCO2)CC1 ZINC001304447721 1067529029 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CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001302997562 1067556783 /nfs/dbraw/zinc/55/67/83/1067556783.db2.gz CTTZIJXHSGXIJK-KRWDZBQOSA-N 0 0 479.672 3.109 20 0 JGADRN Cc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCNc2ccccn2)n1 ZINC001304478427 1067556950 /nfs/dbraw/zinc/55/69/50/1067556950.db2.gz DGMLKBLZLAZWEV-UHFFFAOYSA-N 0 0 462.602 3.240 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001304478364 1067557106 /nfs/dbraw/zinc/55/71/06/1067557106.db2.gz HDPFXZUVLZNNCC-QPPBQGQZSA-N 0 0 497.688 3.136 20 0 JGADRN Cc1cccc(-c2nnc(N3CCCN(c4ncccc4F)CC3)n2CCCNC(=O)C(C)C)n1 ZINC001304478697 1067557773 /nfs/dbraw/zinc/55/77/73/1067557773.db2.gz GNNQIUDMMIKJAO-UHFFFAOYSA-N 0 0 480.592 3.062 20 0 JGADRN Cc1nnc(CCn2c(-c3cccc(C)n3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)s1 ZINC001304478992 1067558023 /nfs/dbraw/zinc/55/80/23/1067558023.db2.gz PHXIXEJIJUPVTK-AWEZNQCLSA-N 0 0 466.537 3.124 20 0 JGADRN Cc1csc(N2CCN(c3nnc(-c4cccc(C)n4)n3CC[S@](=O)C(C)(C)C)CC2)n1 ZINC001304479209 1067558251 /nfs/dbraw/zinc/55/82/51/1067558251.db2.gz UBUASFAWEJQZNE-YTTGMZPUSA-N 0 0 473.672 3.287 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(c4ncc(Cl)cc4Cl)CC3)n2CCC(=O)N(C)C)n1 ZINC001304479026 1067558369 /nfs/dbraw/zinc/55/83/69/1067558369.db2.gz QOGWKBZMLHROHZ-UHFFFAOYSA-N 0 0 489.411 3.155 20 0 JGADRN Cc1cccc(-c2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CC(F)(F)Br)n1 ZINC001304479304 1067558676 /nfs/dbraw/zinc/55/86/76/1067558676.db2.gz QVMOHVAHJVPVSN-UHFFFAOYSA-N 0 0 469.334 3.085 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001303002119 1067559134 /nfs/dbraw/zinc/55/91/34/1067559134.db2.gz AVTHYSIDSFXYRS-KUHUBIRLSA-N 0 0 490.468 3.092 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(Cc4cccc(Cl)c4)CC3)n2CCCC(=O)N(C)C)n1 ZINC001304479838 1067559385 /nfs/dbraw/zinc/55/93/85/1067559385.db2.gz DCTOLOGEDJTIAB-UHFFFAOYSA-N 0 0 482.032 3.493 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 ZINC001303002372 1067559378 /nfs/dbraw/zinc/55/93/78/1067559378.db2.gz BTJHJTLNVSKUNP-GJZUVCINSA-N 0 0 469.630 3.497 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 ZINC001303002370 1067559403 /nfs/dbraw/zinc/55/94/03/1067559403.db2.gz BTJHJTLNVSKUNP-ATIYNZHBSA-N 0 0 469.630 3.497 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCN(C)CC(F)(F)F)n1 ZINC001304480636 1067559944 /nfs/dbraw/zinc/55/99/44/1067559944.db2.gz PRLVGSWLKNPPKR-HNNXBMFYSA-N 0 0 479.473 3.215 20 0 JGADRN Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@]4(C)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001304480783 1067560323 /nfs/dbraw/zinc/56/03/23/1067560323.db2.gz VCETXGFKRKXGFB-CLOONOSVSA-N 0 0 499.616 3.229 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001303002900 1067560547 /nfs/dbraw/zinc/56/05/47/1067560547.db2.gz JNWWXFJHCWLUSV-YADARESESA-N 0 0 486.642 3.146 20 0 JGADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCCS(C)(=O)=O)C1 ZINC001303003371 1067560554 /nfs/dbraw/zinc/56/05/54/1067560554.db2.gz MYMNUKONEPZCLK-VAMGGRTRSA-N 0 0 470.680 3.130 20 0 JGADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCCS(C)(=O)=O)C1 ZINC001303003372 1067560668 /nfs/dbraw/zinc/56/06/68/1067560668.db2.gz MYMNUKONEPZCLK-XUVXKRRUSA-N 0 0 470.680 3.130 20 0 JGADRN Cc1cccc([C@@H]2CCCN2c2nnc(-c3cccn3C)n2CCS(=O)(=O)NC(C)C)c1 ZINC001304481376 1067560982 /nfs/dbraw/zinc/56/09/82/1067560982.db2.gz DGURMKAKROHNTM-FQEVSTJZSA-N 0 0 456.616 3.261 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001303004305 1067561114 /nfs/dbraw/zinc/56/11/14/1067561114.db2.gz RVLLKKZTEHRPGP-HTAPYJJXSA-N 0 0 497.566 3.185 20 0 JGADRN Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN([C@H](C)c3nccs3)CC2)n1 ZINC001304481644 1067561244 /nfs/dbraw/zinc/56/12/44/1067561244.db2.gz FPWKKEXFMDLJPN-LJQANCHMSA-N 0 0 482.658 3.092 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)CC1 ZINC001303005148 1067561416 /nfs/dbraw/zinc/56/14/16/1067561416.db2.gz YGEORWPUOZTLJV-FQEVSTJZSA-N 0 0 469.449 3.464 20 0 JGADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)C1 ZINC001303005277 1067561494 /nfs/dbraw/zinc/56/14/94/1067561494.db2.gz ZOOBNGKSFUCZJR-YESZJQIVSA-N 0 0 484.592 3.303 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001303006035 1067561751 /nfs/dbraw/zinc/56/17/51/1067561751.db2.gz CGFMWKYYZASPQO-MFEFFIJZSA-N 0 0 480.631 3.119 20 0 JGADRN Cc1cccc(CCCn2c(-c3cnn(C)c3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)n1 ZINC001304482398 1067562008 /nfs/dbraw/zinc/56/20/08/1067562008.db2.gz OPEVSKKILDRIHQ-KRWDZBQOSA-N 0 0 462.524 3.088 20 0 JGADRN O=C(Nc1cccc(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)c1)NC1CC1 ZINC001303006520 1067561970 /nfs/dbraw/zinc/56/19/70/1067561970.db2.gz DJHYEFRCDCVBNN-SFHVURJKSA-N 0 0 457.328 3.416 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC001303006359 1067562054 /nfs/dbraw/zinc/56/20/54/1067562054.db2.gz SOSKDLQXEWZTQY-GOSISDBHSA-N 0 0 458.284 3.068 20 0 JGADRN Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)Nc3ccccn3)n2CCCC(=O)N(C)C)c1 ZINC001304482748 1067562099 /nfs/dbraw/zinc/56/20/99/1067562099.db2.gz LMVBBYDLLYUHCO-FQEVSTJZSA-N 0 0 461.570 3.444 20 0 JGADRN Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3cc(F)cc(F)c3C2)n1 ZINC001304483105 1067562314 /nfs/dbraw/zinc/56/23/14/1067562314.db2.gz UILRLVNZGOQOQH-INIZCTEOSA-N 0 0 490.580 3.065 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001303007642 1067562644 /nfs/dbraw/zinc/56/26/44/1067562644.db2.gz KRPWQIYXNVQOJG-UWJYYQICSA-N 0 0 470.039 3.194 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001303007641 1067562650 /nfs/dbraw/zinc/56/26/50/1067562650.db2.gz KRPWQIYXNVQOJG-UTKZUKDTSA-N 0 0 470.039 3.194 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001303007936 1067562668 /nfs/dbraw/zinc/56/26/68/1067562668.db2.gz BKLXMISNIBVCLE-XMMPIXPASA-N 0 0 453.566 3.388 20 0 JGADRN Cc1cccc(CC2(O)CCN(c3nnc(C(C)C)n3C[C@@H]3CCCCS3(=O)=O)CC2)c1 ZINC001304483409 1067562656 /nfs/dbraw/zinc/56/26/56/1067562656.db2.gz WIIMMMIVJDDHFQ-NRFANRHFSA-N 0 0 460.644 3.251 20 0 JGADRN Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2cccc(C)c2)s1 ZINC001304483691 1067562945 /nfs/dbraw/zinc/56/29/45/1067562945.db2.gz RCRVLJKUGMMALT-QFBILLFUSA-N 0 0 489.671 3.331 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001303008633 1067563388 /nfs/dbraw/zinc/56/33/88/1067563388.db2.gz GIIQIVZKXYCNFX-KOSHJBKYSA-N 0 0 475.638 3.311 20 0 JGADRN Cc1cccc(-c2nnc(N3CCS(=O)(=O)C4(CCCCC4)C3)n2CCOC(C)(C)C)n1 ZINC001304484181 1067563360 /nfs/dbraw/zinc/56/33/60/1067563360.db2.gz SXDYPCLXVFMWEX-UHFFFAOYSA-N 0 0 461.632 3.401 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001303009184 1067563933 /nfs/dbraw/zinc/56/39/33/1067563933.db2.gz PQUDZGVYLFVNGQ-MWTRTKDXSA-N 0 0 465.545 3.401 20 0 JGADRN Cc1cccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncccc2C)c1 ZINC001304484602 1067563924 /nfs/dbraw/zinc/56/39/24/1067563924.db2.gz WSXWQAVNWSKGQZ-RXVVDRJESA-N 0 0 454.600 3.290 20 0 JGADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC001303009881 1067564547 /nfs/dbraw/zinc/56/45/47/1067564547.db2.gz WUOGTMULGBLFQY-SIXWZSSISA-N 0 0 454.352 3.377 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001303010278 1067564801 /nfs/dbraw/zinc/56/48/01/1067564801.db2.gz UUEWDDWVFMHOHO-LVCYWYKZSA-N 0 0 465.392 3.456 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001303010161 1067564807 /nfs/dbraw/zinc/56/48/07/1067564807.db2.gz KURWVGPZSWZTMB-KDYSTLNUSA-N 0 0 499.704 3.040 20 0 JGADRN Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(N)=O)C2)n1 ZINC001304486159 1067564841 /nfs/dbraw/zinc/56/48/41/1067564841.db2.gz KCQVZRLWIKTEDC-KRWDZBQOSA-N 0 0 454.525 3.185 20 0 JGADRN Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2cccc(C(N)=O)c2)n1 ZINC001304486215 1067564907 /nfs/dbraw/zinc/56/49/07/1067564907.db2.gz UOKPUGFBOCBDIC-FQEVSTJZSA-N 0 0 491.596 3.094 20 0 JGADRN Cc1cccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CC(=O)NCCc2ccccc2)n1 ZINC001304486233 1067564925 /nfs/dbraw/zinc/56/49/25/1067564925.db2.gz VCFRFNFDZXGZCK-RBUKOAKNSA-N 0 0 450.612 3.338 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001303010351 1067564878 /nfs/dbraw/zinc/56/48/78/1067564878.db2.gz LBIIFYCZCZRMJJ-NRFANRHFSA-N 0 0 474.547 3.493 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001303010211 1067564901 /nfs/dbraw/zinc/56/49/01/1067564901.db2.gz UDHIWNVDJFASOX-CJFMBICVSA-N 0 0 459.610 3.430 20 0 JGADRN Cc1cccc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CC(=O)NCCc2ccccc2)n1 ZINC001304486232 1067565012 /nfs/dbraw/zinc/56/50/12/1067565012.db2.gz VCFRFNFDZXGZCK-OALUTQOASA-N 0 0 450.612 3.338 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 ZINC001303010435 1067565130 /nfs/dbraw/zinc/56/51/30/1067565130.db2.gz MASNGAPXNJZHCN-RPWUZVMVSA-N 0 0 456.566 3.103 20 0 JGADRN Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCNC(=O)c3cccs3)C2)c1 ZINC001304487127 1067565532 /nfs/dbraw/zinc/56/55/32/1067565532.db2.gz KJBKUWYIJBHOCP-IBGZPJMESA-N 0 0 466.611 3.210 20 0 JGADRN Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](C)(C(N)=O)C2)n1 ZINC001304487256 1067565557 /nfs/dbraw/zinc/56/55/57/1067565557.db2.gz WGPLQJQBSZNVPZ-DEOSSOPVSA-N 0 0 454.525 3.185 20 0 JGADRN Cc1cccc(CCCn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001304487056 1067565580 /nfs/dbraw/zinc/56/55/80/1067565580.db2.gz ROIGFZUGMWWYIM-UYAOXDASSA-N 0 0 456.591 3.222 20 0 JGADRN Cc1cccc(CCCn2c([C@H]3COc4ccccc4O3)nnc2N(C)CCNC(=O)C(C)C)n1 ZINC001304487052 1067565717 /nfs/dbraw/zinc/56/57/17/1067565717.db2.gz RLJAXLQYFJAURH-HSZRJFAPSA-N 0 0 478.597 3.335 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001303011531 1067566135 /nfs/dbraw/zinc/56/61/35/1067566135.db2.gz TZOSDKKKLMXRSG-VWLOTQADSA-N 0 0 469.634 3.151 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001303011881 1067566339 /nfs/dbraw/zinc/56/63/39/1067566339.db2.gz VUULMOCNJVARHE-UQBPGWFLSA-N 0 0 473.666 3.243 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCSC1 ZINC001303011882 1067566407 /nfs/dbraw/zinc/56/64/07/1067566407.db2.gz VUVDTXWXKHAOND-HTAPYJJXSA-N 0 0 480.704 3.367 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCSC1 ZINC001303011884 1067566428 /nfs/dbraw/zinc/56/64/28/1067566428.db2.gz VUVDTXWXKHAOND-JTSKRJEESA-N 0 0 480.704 3.367 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001303012177 1067566761 /nfs/dbraw/zinc/56/67/61/1067566761.db2.gz APWWNHDVEKZSCG-NBGIEHNGSA-N 0 0 473.593 3.071 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001303012196 1067567017 /nfs/dbraw/zinc/56/70/17/1067567017.db2.gz AYMUGFYQZPBMMR-YADARESESA-N 0 0 482.691 3.295 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303012372 1067567052 /nfs/dbraw/zinc/56/70/52/1067567052.db2.gz ZAMLTOFPSXCPFZ-CPJSRVTESA-N 0 0 488.633 3.257 20 0 JGADRN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC001304488934 1067567063 /nfs/dbraw/zinc/56/70/63/1067567063.db2.gz SHJGCXOGZWNXSK-UHFFFAOYSA-N 0 0 466.630 3.196 20 0 JGADRN NC(=O)C1(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(F)(F)CC2)CCOCC1 ZINC001303012958 1067567392 /nfs/dbraw/zinc/56/73/92/1067567392.db2.gz JWXLFKJSSWGFDY-UHFFFAOYSA-N 0 0 484.345 3.225 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3c(F)cc(F)cc3[C@H]2C)n1 ZINC001304489042 1067567380 /nfs/dbraw/zinc/56/73/80/1067567380.db2.gz AVVMFWJIFABIHY-HZPDHXFCSA-N 0 0 490.580 3.236 20 0 JGADRN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccccc3CO)CC2)n1 ZINC001304489086 1067567410 /nfs/dbraw/zinc/56/74/10/1067567410.db2.gz BWRFMOPQDCINIY-UHFFFAOYSA-N 0 0 462.598 3.239 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC001304489047 1067567461 /nfs/dbraw/zinc/56/74/61/1067567461.db2.gz AWWGLDXIEXWNDR-BVSLBCMMSA-N 0 0 475.659 3.082 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001303012951 1067567631 /nfs/dbraw/zinc/56/76/31/1067567631.db2.gz HEJSSKZXIQGCLM-RDPSFJRHSA-N 0 0 462.639 3.091 20 0 JGADRN NC(=O)[C@@H](Cc1ccc(F)cc1)Cn1c(Cc2cccnc2)nnc1N1CCC=C(Br)C1 ZINC001303012967 1067567683 /nfs/dbraw/zinc/56/76/83/1067567683.db2.gz KFKCDELOOBKRJJ-SFHVURJKSA-N 0 0 499.388 3.236 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C)C(=O)C2)n1 ZINC001304489318 1067567753 /nfs/dbraw/zinc/56/77/53/1067567753.db2.gz FBMVMEDNTDNNHD-QGZVFWFLSA-N 0 0 454.962 3.296 20 0 JGADRN Cc1cccc(CCCn2c(Cc3ccncc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)n1 ZINC001304489127 1067567759 /nfs/dbraw/zinc/56/77/59/1067567759.db2.gz VRMSERKCEHULGG-QHCPKHFHSA-N 0 0 461.614 3.341 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001303013295 1067567896 /nfs/dbraw/zinc/56/78/96/1067567896.db2.gz JOMOXNCRQSIGKV-NVQXNPDNSA-N 0 0 468.646 3.081 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001303013734 1067568164 /nfs/dbraw/zinc/56/81/64/1067568164.db2.gz LNJFKJBQIDHBDA-UUOWRZLLSA-N 0 0 465.639 3.463 20 0 JGADRN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001304490006 1067568283 /nfs/dbraw/zinc/56/82/83/1067568283.db2.gz JJQWHTQSERSYBR-IBGZPJMESA-N 0 0 456.591 3.071 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC001304490108 1067568386 /nfs/dbraw/zinc/56/83/86/1067568386.db2.gz KTBBKRDRIPSNPU-IRFCIJBXSA-N 0 0 468.627 3.217 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC001304490107 1067568401 /nfs/dbraw/zinc/56/84/01/1067568401.db2.gz KTBBKRDRIPSNPU-DYXWJJEUSA-N 0 0 468.627 3.217 20 0 JGADRN Cc1cccc(CCn2c(-c3ccc4ccccc4n3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)n1 ZINC001304490239 1067568653 /nfs/dbraw/zinc/56/86/53/1067568653.db2.gz KFJFWSFHWYWONS-SFHVURJKSA-N 0 0 464.595 3.309 20 0 JGADRN Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[C@H]2C)n1 ZINC001304490597 1067568670 /nfs/dbraw/zinc/56/86/70/1067568670.db2.gz LLAKPAHWIXLOBF-GOSISDBHSA-N 0 0 454.600 3.130 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001303014579 1067568780 /nfs/dbraw/zinc/56/87/80/1067568780.db2.gz OEUMSIVUIBRBIK-SANMLTNESA-N 0 0 474.694 3.257 20 0 JGADRN 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O=S1(=O)CC[C@@H](c2nnc(N3CCC(F)(F)CC3)n2Cc2ccccc2OC(F)F)C1 ZINC001303124595 1067665525 /nfs/dbraw/zinc/66/55/25/1067665525.db2.gz IPENWAPTLSWLOT-CQSZACIVSA-N 0 0 462.469 3.065 20 0 JGADRN Cc1cnn(C[C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO2)c1 ZINC001304601093 1067665524 /nfs/dbraw/zinc/66/55/24/1067665524.db2.gz GLEJZVLRZJXAIB-UXHICEINSA-N 0 0 475.638 3.142 20 0 JGADRN Cc1cnn(CCn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001304601557 1067666379 /nfs/dbraw/zinc/66/63/79/1067666379.db2.gz AOLPDDVFHPGJDE-RTBURBONSA-N 0 0 459.595 3.170 20 0 JGADRN O=S1(=O)CC[C@@H](c2nnc(N3CCO[C@H](c4ccc(F)c(F)c4)C3)n2CCCC(F)(F)F)C1 ZINC001303125410 1067666401 /nfs/dbraw/zinc/66/64/01/1067666401.db2.gz MRFPCTQEVOKYNY-PBHICJAKSA-N 0 0 494.486 3.379 20 0 JGADRN Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCC(=O)N(C)C)CCO2)c1 ZINC001304601920 1067666905 /nfs/dbraw/zinc/66/69/05/1067666905.db2.gz JJAMPYKWNINWMI-KRWDZBQOSA-N 0 0 492.411 3.141 20 0 JGADRN O=S1(=O)CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCCCCC2)C1 ZINC001303125809 1067667050 /nfs/dbraw/zinc/66/70/50/1067667050.db2.gz NIZWXGFCBOKRRM-MRXNPFEDSA-N 0 0 483.432 3.435 20 0 JGADRN Cc1cnn(C[C@H]2CN(c3nnc(-c4ccc[nH]4)n3C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCO2)c1 ZINC001304602564 1067667285 /nfs/dbraw/zinc/66/72/85/1067667285.db2.gz MEUZPVHIEWPHTF-CTNGQTDRSA-N 0 0 498.632 3.233 20 0 JGADRN O=S1(=O)CCC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC(F)(F)C2)C1 ZINC001303126176 1067667338 /nfs/dbraw/zinc/66/73/38/1067667338.db2.gz PYXRSKJXEBXXKA-NSHDSACASA-N 0 0 481.388 3.439 20 0 JGADRN O=S1(=O)CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCSCC1 ZINC001303126247 1067667352 /nfs/dbraw/zinc/66/73/52/1067667352.db2.gz QVSVEGONTGHERQ-MRXNPFEDSA-N 0 0 471.446 3.228 20 0 JGADRN Cc1cnn(CCn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001304602519 1067667849 /nfs/dbraw/zinc/66/78/49/1067667849.db2.gz LUJKXPDIXJWBDA-IBGZPJMESA-N 0 0 466.590 3.299 20 0 JGADRN O=S1(=O)CCCN1[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC(F)(F)F)C1 ZINC001303126783 1067668183 /nfs/dbraw/zinc/66/81/83/1067668183.db2.gz VSHNVNVAYZJHKT-HNNXBMFYSA-N 0 0 463.913 3.165 20 0 JGADRN Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccccc4)n3CCCN(C)CC(F)(F)F)CCO2)c1 ZINC001304603025 1067668103 /nfs/dbraw/zinc/66/81/03/1067668103.db2.gz OTHAAMGCDQKOQU-FQEVSTJZSA-N 0 0 477.535 3.240 20 0 JGADRN Cc1cnn(C[C@H]2CN(c3nnc(COc4ccccc4F)n3CCC(C)(F)F)CCO2)c1 ZINC001304602773 1067668151 /nfs/dbraw/zinc/66/81/51/1067668151.db2.gz LDABXQXCKKLFAA-QGZVFWFLSA-N 0 0 464.492 3.452 20 0 JGADRN O=S1(=O)CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001303127076 1067668666 /nfs/dbraw/zinc/66/86/66/1067668666.db2.gz XPGFXWSSACLRFE-HZPDHXFCSA-N 0 0 472.533 3.445 20 0 JGADRN Cc1cnn(CCn2c([C@H]3CCCCO3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001304603282 1067668747 /nfs/dbraw/zinc/66/87/47/1067668747.db2.gz PCRAVKQHIJKVQY-LJQANCHMSA-N 0 0 459.595 3.218 20 0 JGADRN O=S1(=O)CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2cccs2)CC1 ZINC001303127421 1067669399 /nfs/dbraw/zinc/66/93/99/1067669399.db2.gz PNCPETYERHRQQK-UHFFFAOYSA-N 0 0 485.404 3.386 20 0 JGADRN Cc1cnn(CCn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H]2CCOC2)c1 ZINC001304603817 1067669604 /nfs/dbraw/zinc/66/96/04/1067669604.db2.gz OHWOBLSNFIJLFM-AWEZNQCLSA-N 0 0 451.394 3.447 20 0 JGADRN Cc1cnn(CCn2c(-c3ccccc3F)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC001304603859 1067669642 /nfs/dbraw/zinc/66/96/42/1067669642.db2.gz PNOBUOUQPMRLDU-UHFFFAOYSA-N 0 0 453.566 3.373 20 0 JGADRN O=S1(=O)CCN(c2nnc(-c3ccccc3F)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001303127678 1067669914 /nfs/dbraw/zinc/66/99/14/1067669914.db2.gz XHOUTUMTTNIIKB-UHFFFAOYSA-N 0 0 485.372 3.133 20 0 JGADRN Cc1cnn(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](COC(C)C)C2)c1 ZINC001304603914 1067670082 /nfs/dbraw/zinc/67/00/82/1067670082.db2.gz UAAHAVDKJRVITO-VQTJNVASSA-N 0 0 472.565 3.393 20 0 JGADRN CC(C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001303127860 1067670147 /nfs/dbraw/zinc/67/01/47/1067670147.db2.gz APKHARDCGULQBY-FPOVZHCZSA-N 0 0 463.648 3.349 20 0 JGADRN O=S1(=O)CCN(c2nnc(Cc3ccccc3F)n2CCSCCCO)CC12CCCCC2 ZINC001303128354 1067670653 /nfs/dbraw/zinc/67/06/53/1067670653.db2.gz GUSPNKHXGXCGIL-UHFFFAOYSA-N 0 0 496.674 3.061 20 0 JGADRN O=S1(=O)CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001303129254 1067671213 /nfs/dbraw/zinc/67/12/13/1067671213.db2.gz SBNZEVUAFJOKLK-UHFFFAOYSA-N 0 0 486.541 3.155 20 0 JGADRN O=S1(=O)CCN(c2nnc(CCc3ccccc3)n2Cc2cc(Br)cs2)CC1 ZINC001303128928 1067671235 /nfs/dbraw/zinc/67/12/35/1067671235.db2.gz OTRAHOINRYSOBD-UHFFFAOYSA-N 0 0 481.441 3.170 20 0 JGADRN CC(C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001303129384 1067671242 /nfs/dbraw/zinc/67/12/42/1067671242.db2.gz USRMSEYLRAWHCL-QZTJIDSGSA-N 0 0 463.648 3.491 20 0 JGADRN CC(C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001303129725 1067672249 /nfs/dbraw/zinc/67/22/49/1067672249.db2.gz WUMFTAXLXUSOLI-YKSBVNFPSA-N 0 0 491.658 3.016 20 0 JGADRN Cc1cnn(CCn2c(Cc3ccccc3F)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC001304605883 1067672287 /nfs/dbraw/zinc/67/22/87/1067672287.db2.gz PBLHCWSJUWFTKM-KRWDZBQOSA-N 0 0 465.499 3.286 20 0 JGADRN Cc1cnn(C[C@H]2CN(c3nnc(Cc4csc(C)n4)n3C[C@@](C)(O)CCC(C)C)CCO2)c1 ZINC001304605441 1067672306 /nfs/dbraw/zinc/67/23/06/1067672306.db2.gz XLGOGMKAHPJTNG-QPPBQGQZSA-N 0 0 487.674 3.231 20 0 JGADRN CCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CCC3)c(N)c1 ZINC001303131325 1067672612 /nfs/dbraw/zinc/67/26/12/1067672612.db2.gz XSFNCWBBOADVHL-UHFFFAOYSA-N 0 0 451.589 3.068 20 0 JGADRN COC(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(OC)c2)n1C ZINC001303131174 1067672628 /nfs/dbraw/zinc/67/26/28/1067672628.db2.gz PUGYPRJJDLKNDY-FQEVSTJZSA-N 0 0 457.527 3.255 20 0 JGADRN CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(Nc4ccccc4)c3)CC2)cc1 ZINC001303130609 1067672671 /nfs/dbraw/zinc/67/26/71/1067672671.db2.gz KCXQIMKHMHYPHM-UHFFFAOYSA-N 0 0 450.564 3.301 20 0 JGADRN CC(C)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001303131119 1067672695 /nfs/dbraw/zinc/67/26/95/1067672695.db2.gz CKLOJHUVHZCVMD-ZDUSSCGKSA-N 0 0 459.385 3.374 20 0 JGADRN Cc1cnn(CCn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001304606122 1067672801 /nfs/dbraw/zinc/67/28/01/1067672801.db2.gz GCPSTKRILLNJJB-VQTJNVASSA-N 0 0 473.622 3.418 20 0 JGADRN Cc1cnn(CCn2c(COc3ccc(Br)cc3)nnc2Nc2ccn(C)n2)c1 ZINC001304606106 1067672812 /nfs/dbraw/zinc/67/28/12/1067672812.db2.gz FOSZXSBNGDHHGV-UHFFFAOYSA-N 0 0 457.336 3.302 20 0 JGADRN CC(C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC(F)(F)F ZINC001303132312 1067673060 /nfs/dbraw/zinc/67/30/60/1067673060.db2.gz WZXNBTDZAZBZIB-UHFFFAOYSA-N 0 0 487.490 3.397 20 0 JGADRN Cc1cnn(CCn2c(N3CCN([C@H](C)c4nc(C(C)C)no4)CC3)nnc2C(C)(C)C)c1 ZINC001304606928 1067673644 /nfs/dbraw/zinc/67/36/44/1067673644.db2.gz QLTVVMFVLRAJPZ-GOSISDBHSA-N 0 0 455.611 3.170 20 0 JGADRN Cc1cnn(CCn2c(N3CCN([C@@H](C)c4nc(C(C)C)no4)CC3)nnc2C(C)(C)C)c1 ZINC001304606929 1067673758 /nfs/dbraw/zinc/67/37/58/1067673758.db2.gz QLTVVMFVLRAJPZ-SFHVURJKSA-N 0 0 455.611 3.170 20 0 JGADRN O=S1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001303134538 1067674075 /nfs/dbraw/zinc/67/40/75/1067674075.db2.gz QIBNBIXFMBMAJL-DOTOQJQBSA-N 0 0 471.396 3.214 20 0 JGADRN O=S1CCN(c2nnc(Cc3ccsc3)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001303134355 1067674102 /nfs/dbraw/zinc/67/41/02/1067674102.db2.gz OSNQQDGUTCCSQS-UHFFFAOYSA-N 0 0 456.515 3.288 20 0 JGADRN O=S1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001303134061 1067674122 /nfs/dbraw/zinc/67/41/22/1067674122.db2.gz JQSGDSKSIZADMO-UHFFFAOYSA-N 0 0 453.465 3.039 20 0 JGADRN Cc1cn2c(n1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1)CCC2 ZINC001304607152 1067674224 /nfs/dbraw/zinc/67/42/24/1067674224.db2.gz UEBZMZYPWFFFBG-JKSUJKDBSA-N 0 0 453.513 3.278 20 0 JGADRN OC1(C(F)(F)F)CCN(c2nnc(-c3cccnc3)n2CCOc2cccc(F)c2)CC1 ZINC001303135111 1067674887 /nfs/dbraw/zinc/67/48/87/1067674887.db2.gz BCPFLTABJYOYMJ-UHFFFAOYSA-N 0 0 451.424 3.452 20 0 JGADRN O=S1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001303135070 1067674889 /nfs/dbraw/zinc/67/48/89/1067674889.db2.gz KWAYTMSIEBNVAM-AWEZNQCLSA-N 0 0 462.975 3.217 20 0 JGADRN Cc1cnc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)s1 ZINC001304608294 1067676011 /nfs/dbraw/zinc/67/60/11/1067676011.db2.gz NBJGGTNRUPXIFD-IBADJEFMSA-N 0 0 474.656 3.359 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)COc3ccc(F)cc3)CC2)s1 ZINC001304608256 1067676098 /nfs/dbraw/zinc/67/60/98/1067676098.db2.gz MQUAOTDVJFDHRK-HNNXBMFYSA-N 0 0 458.563 3.022 20 0 JGADRN O[C@@]1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(C(F)(F)F)CC2)CCOC1 ZINC001303135635 1067676448 /nfs/dbraw/zinc/67/64/48/1067676448.db2.gz BIKIJAWCTHHSSH-LJQANCHMSA-N 0 0 462.419 3.477 20 0 JGADRN OC1(C(F)(F)F)CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001303135618 1067676464 /nfs/dbraw/zinc/67/64/64/1067676464.db2.gz BABKMJHVOIZXCL-CYBMUJFWSA-N 0 0 480.409 3.314 20 0 JGADRN Cc1cnc([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)s1 ZINC001304608724 1067676580 /nfs/dbraw/zinc/67/65/80/1067676580.db2.gz FGAAWNHUGZRQTG-GFCCVEGCSA-N 0 0 455.510 3.141 20 0 JGADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)s1 ZINC001304609055 1067676628 /nfs/dbraw/zinc/67/66/28/1067676628.db2.gz HDNMNLBRNLTDGW-GDBMZVCRSA-N 0 0 458.554 3.425 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(NC(=O)C(C)C)CC2)s1 ZINC001304609312 1067676632 /nfs/dbraw/zinc/67/66/32/1067676632.db2.gz HYNNRALMFHZOHK-FUHWJXTLSA-N 0 0 460.648 3.482 20 0 JGADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)s1 ZINC001304609304 1067676636 /nfs/dbraw/zinc/67/66/36/1067676636.db2.gz HXWFWKLJOYTHQU-FUHWJXTLSA-N 0 0 489.671 3.017 20 0 JGADRN OC1(C(F)(F)F)CCN(c2nnc(CCOc3ccccc3)n2CCCOC(F)F)CC1 ZINC001303136212 1067677298 /nfs/dbraw/zinc/67/72/98/1067677298.db2.gz MTDDHTAJBZTDIW-UHFFFAOYSA-N 0 0 464.435 3.423 20 0 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Cc1csc([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(CNS(C)(=O)=O)CC2)n1 ZINC001304617993 1067686010 /nfs/dbraw/zinc/68/60/10/1067686010.db2.gz KEQDRYHACJZPRN-MRXNPFEDSA-N 0 0 474.656 3.279 20 0 JGADRN CC(C)CN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1)C(C)C ZINC001303147741 1067686208 /nfs/dbraw/zinc/68/62/08/1067686208.db2.gz XOJLCTZZHOHQLE-FQEVSTJZSA-N 0 0 491.706 3.439 20 0 JGADRN CC(C)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C)C1CCCC1 ZINC001303147420 1067686222 /nfs/dbraw/zinc/68/62/22/1067686222.db2.gz OQXNVFASMLRDGZ-VGSWGCGISA-N 0 0 455.669 3.235 20 0 JGADRN Cc1csc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCS(=O)CC2)n1 ZINC001304618269 1067686418 /nfs/dbraw/zinc/68/64/18/1067686418.db2.gz GVOVTABMHNVVQM-OIISXLGYSA-N 0 0 494.687 3.186 20 0 JGADRN Cc1csc([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccccc2F)n1 ZINC001304618592 1067686881 /nfs/dbraw/zinc/68/68/81/1067686881.db2.gz DGMMQMQYDJRENH-DOTOQJQBSA-N 0 0 493.630 3.403 20 0 JGADRN 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/nfs/dbraw/zinc/79/18/03/1067791803.db2.gz RWXAIVNRXSJGDE-VQIMIIECSA-N 0 0 486.642 3.150 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NC(C)C ZINC001304720931 1067792105 /nfs/dbraw/zinc/79/21/05/1067792105.db2.gz VMMOJRWHMSCMQP-UHFFFAOYSA-N 0 0 474.407 3.219 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCCc2ccccc2)n1CC1(C(N)=O)CCCC1 ZINC001304721409 1067792355 /nfs/dbraw/zinc/79/23/55/1067792355.db2.gz IEVDXXSKRFDWMV-UHFFFAOYSA-N 0 0 463.630 3.486 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001304721737 1067792940 /nfs/dbraw/zinc/79/29/40/1067792940.db2.gz DHJFPPHHSRJSCN-SFHVURJKSA-N 0 0 476.551 3.135 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001304721635 1067793082 /nfs/dbraw/zinc/79/30/82/1067793082.db2.gz CTPBQBRKQHBQDJ-LDQXTDLNSA-N 0 0 487.649 3.414 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO1 ZINC001304721740 1067793126 /nfs/dbraw/zinc/79/31/26/1067793126.db2.gz PHKVZZUGGAFPTC-CEXWTWQISA-N 0 0 473.622 3.215 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(=O)NC(C)C ZINC001304722874 1067794051 /nfs/dbraw/zinc/79/40/51/1067794051.db2.gz FHCLHRZRCADCBL-HNNXBMFYSA-N 0 0 469.659 3.491 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001304723178 1067794799 /nfs/dbraw/zinc/79/47/99/1067794799.db2.gz IIRDQJTWJQDUFE-STQMWFEESA-N 0 0 462.396 3.058 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001304723440 1067795099 /nfs/dbraw/zinc/79/50/99/1067795099.db2.gz NLASLIAMUVXDKR-ZBFHGGJFSA-N 0 0 465.023 3.255 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001304723613 1067795389 /nfs/dbraw/zinc/79/53/89/1067795389.db2.gz QACMNOUCMCEBCP-QUCCMNQESA-N 0 0 457.623 3.049 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)s1 ZINC001304723596 1067795420 /nfs/dbraw/zinc/79/54/20/1067795420.db2.gz PPWLTEODYFGOSU-OAHLLOKOSA-N 0 0 478.420 3.088 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001304724480 1067796184 /nfs/dbraw/zinc/79/61/84/1067796184.db2.gz IOKVRJIQSAWYOR-UHFFFAOYSA-N 0 0 467.593 3.148 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1 ZINC001304724463 1067796338 /nfs/dbraw/zinc/79/63/38/1067796338.db2.gz ICKFVGLDNDGZLZ-OAQYLSRUSA-N 0 0 496.616 3.017 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001304724889 1067796809 /nfs/dbraw/zinc/79/68/09/1067796809.db2.gz DFNIYZGZCBXODQ-TZIWHRDSSA-N 0 0 474.650 3.431 20 0 JGADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3cccnc3)n2CCSC(F)(F)F)CC1 ZINC001304725238 1067797167 /nfs/dbraw/zinc/79/71/67/1067797167.db2.gz AQZHIFJXESFJSO-UHFFFAOYSA-N 0 0 480.564 3.266 20 0 JGADRN Cc1cc(Cn2c(C(C)C)nnc2N(CCO)Cc2cc(Br)ccc2F)n(C)n1 ZINC001304725272 1067797701 /nfs/dbraw/zinc/79/77/01/1067797701.db2.gz BMARXSIPJISGMI-UHFFFAOYSA-N 0 0 465.371 3.392 20 0 JGADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)c2cccs2)CC1 ZINC001304725844 1067798079 /nfs/dbraw/zinc/79/80/79/1067798079.db2.gz QOMJVMDTFYIBTJ-DEOSSOPVSA-N 0 0 471.675 3.217 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001304725863 1067798288 /nfs/dbraw/zinc/79/82/88/1067798288.db2.gz QXPCYUBVCNBXMN-HNNXBMFYSA-N 0 0 463.558 3.150 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(CCCc2ccccc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001304726111 1067798618 /nfs/dbraw/zinc/79/86/18/1067798618.db2.gz VGDCIPVSBOQZPA-AZUAARDMSA-N 0 0 472.659 3.110 20 0 JGADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccccc3F)n2CCCCCCO)CC1 ZINC001304726200 1067798649 /nfs/dbraw/zinc/79/86/49/1067798649.db2.gz SCFIRHNLGSMMGO-UHFFFAOYSA-N 0 0 469.609 3.309 20 0 JGADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)C(C)C)CC1 ZINC001304726158 1067798815 /nfs/dbraw/zinc/79/88/15/1067798815.db2.gz PYZMHZVAPVPLQT-DEOSSOPVSA-N 0 0 487.052 3.073 20 0 JGADRN Cc1cc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2csc(Br)c2)n(C)n1 ZINC001304726492 1067799083 /nfs/dbraw/zinc/79/90/83/1067799083.db2.gz VOKFYFRZDDBQAM-UHFFFAOYSA-N 0 0 478.420 3.065 20 0 JGADRN C=CC(=O)N1CCC(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)(c2ccccc2)CC1 ZINC001304727132 1067799389 /nfs/dbraw/zinc/79/93/89/1067799389.db2.gz GVPIYZNPDYGSEO-WLBKGHODSA-N 0 0 456.608 3.066 20 0 JGADRN Cc1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)n(C)n1 ZINC001304727768 1067799576 /nfs/dbraw/zinc/79/95/76/1067799576.db2.gz IWJPBHVGSNSUKP-XMMPIXPASA-N 0 0 486.642 3.080 20 0 JGADRN Cc1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)n(C)n1 ZINC001304727834 1067799603 /nfs/dbraw/zinc/79/96/03/1067799603.db2.gz JSNOCFNCWJZMQR-HOTGVXAUSA-N 0 0 481.022 3.031 20 0 JGADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCc2nccs2)n(C)n1 ZINC001304727390 1067799664 /nfs/dbraw/zinc/79/96/64/1067799664.db2.gz GUDMZMSLTNHGCV-UHFFFAOYSA-N 0 0 475.420 3.272 20 0 JGADRN Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@@H](C)CC(N)=O)n(C)n1 ZINC001304727233 1067799695 /nfs/dbraw/zinc/79/96/95/1067799695.db2.gz FRFXBPKEITYZMM-DLBZAZTESA-N 0 0 474.009 3.479 20 0 JGADRN Cc1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)n(C)n1 ZINC001304727836 1067799900 /nfs/dbraw/zinc/79/99/00/1067799900.db2.gz JSNOCFNCWJZMQR-HZPDHXFCSA-N 0 0 481.022 3.031 20 0 JGADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)n(C)n1 ZINC001304728164 1067799944 /nfs/dbraw/zinc/79/99/44/1067799944.db2.gz MGQFNCSWQBZBAS-NHYWBVRUSA-N 0 0 488.312 3.282 20 0 JGADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@H](C)[C@@H]2C)n(C)n1 ZINC001304728186 1067800023 /nfs/dbraw/zinc/80/00/23/1067800023.db2.gz NASGSRCISSCLKC-QWHCGFSZSA-N 0 0 450.410 3.456 20 0 JGADRN CCOc1ccc(C(=O)NCC(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1OCC ZINC001303271132 1067800085 /nfs/dbraw/zinc/80/00/85/1067800085.db2.gz RTJUVLVOEAPRMI-UHFFFAOYSA-N 0 0 459.449 3.463 20 0 JGADRN Cc1cc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n(C)n1 ZINC001304728286 1067800268 /nfs/dbraw/zinc/80/02/68/1067800268.db2.gz OPIWEWAUFMLSLY-SFHVURJKSA-N 0 0 453.591 3.315 20 0 JGADRN Cc1cc(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)n(C)n1 ZINC001304729193 1067800623 /nfs/dbraw/zinc/80/06/23/1067800623.db2.gz VDHHBXOZPAWJIN-HNNXBMFYSA-N 0 0 481.910 3.194 20 0 JGADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CCN(CC(F)F)CC2)n(C)n1 ZINC001304729498 1067801124 /nfs/dbraw/zinc/80/11/24/1067801124.db2.gz YGPKSOUOXYXOCH-UHFFFAOYSA-N 0 0 486.390 3.246 20 0 JGADRN Cc1cc(Cn2c(-c3ccccc3F)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)n(C)n1 ZINC001304729146 1067801157 /nfs/dbraw/zinc/80/11/57/1067801157.db2.gz VDVUDFMIOXBJEH-HNNXBMFYSA-N 0 0 451.472 3.247 20 0 JGADRN Cc1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)n(C)n1 ZINC001304729916 1067801543 /nfs/dbraw/zinc/80/15/43/1067801543.db2.gz MVDLPVHKNVSXOK-UHFFFAOYSA-N 0 0 486.020 3.295 20 0 JGADRN Cc1cc(Cn2c(N3CCC(NC(=O)c4cc(C)oc4C)CC3)nnc2C(C)(C)C)n(C)n1 ZINC001304730184 1067801890 /nfs/dbraw/zinc/80/18/90/1067801890.db2.gz AGACXNQGZLDCPR-UHFFFAOYSA-N 0 0 453.591 3.274 20 0 JGADRN Cc1cc(C)n(-c2ccc(Cn3c(CC(C)C)nnc3N(C)Cc3ncnn3CC(F)F)cn2)n1 ZINC001304730546 1067802617 /nfs/dbraw/zinc/80/26/17/1067802617.db2.gz AABYIIUROILQPY-UHFFFAOYSA-N 0 0 484.559 3.215 20 0 JGADRN Cc1cc(C)n(-c2ccc(Cn3c(C)nnc3N3CCC([C@@](C)(O)C(F)(F)F)CC3)cn2)n1 ZINC001304730662 1067803041 /nfs/dbraw/zinc/80/30/41/1067803041.db2.gz BQJYBIVZOFKGEO-OAQYLSRUSA-N 0 0 463.508 3.362 20 0 JGADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CCCC3(C)C)C2)n1 ZINC001304731143 1067803779 /nfs/dbraw/zinc/80/37/79/1067803779.db2.gz BYPQKJMRIXJHLL-DVECYGJZSA-N 0 0 457.623 3.012 20 0 JGADRN Cc1cc(C)n(-c2ccccc2Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCSC2)n1 ZINC001304731353 1067804249 /nfs/dbraw/zinc/80/42/49/1067804249.db2.gz IJLFVHCVNMZCHW-IBGZPJMESA-N 0 0 453.616 3.209 20 0 JGADRN Cc1nn(-c2ccccc2)c(C)c1Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001304731824 1067804612 /nfs/dbraw/zinc/80/46/12/1067804612.db2.gz MCVXUUGZWXSUSK-AZUAARDMSA-N 0 0 493.637 3.449 20 0 JGADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCS(=O)(=O)C(C)(C)C)C2)n1 ZINC001304732113 1067805229 /nfs/dbraw/zinc/80/52/29/1067805229.db2.gz FMVZUHUMHUMDAN-GOSISDBHSA-N 0 0 450.653 3.444 20 0 JGADRN Cc1cc(C)n(-c2ccc(Cn3c(CC4CCCC4)nnc3N(C)CCNC(=O)C(C)C)cn2)n1 ZINC001304732358 1067805627 /nfs/dbraw/zinc/80/56/27/1067805627.db2.gz PNLJQDMZXJIBTL-UHFFFAOYSA-N 0 0 478.645 3.465 20 0 JGADRN Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001304732337 1067805694 /nfs/dbraw/zinc/80/56/94/1067805694.db2.gz PGVPAYHPVJWDDI-UHFFFAOYSA-N 0 0 499.685 3.236 20 0 JGADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc([C@H]4COCCN4C(=O)OC(C)(C)C)n3CC(C)C)C2)n1 ZINC001304732316 1067805712 /nfs/dbraw/zinc/80/57/12/1067805712.db2.gz DKOVFPFJIVUORY-WOJBJXKFSA-N 0 0 488.637 3.292 20 0 JGADRN Cc1cc(C)n(-c2ccccc2Cn2c(Cc3ccccn3)nnc2N(C)CC(=O)NC(C)C)n1 ZINC001304732501 1067805758 /nfs/dbraw/zinc/80/57/58/1067805758.db2.gz RCUITKADKGKWCM-UHFFFAOYSA-N 0 0 472.597 3.076 20 0 JGADRN Cc1cc(C)n(-c2ccc(Cn3c(C(C)C)nnc3N3CCN(C(=O)NC(C)(C)C)CC3)cn2)n1 ZINC001304732360 1067805797 /nfs/dbraw/zinc/80/57/97/1067805797.db2.gz PNMIPEUZWSARQX-UHFFFAOYSA-N 0 0 479.633 3.277 20 0 JGADRN Cc1cc(C)n(-c2ccccc2Cn2c(C3CCC3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)n1 ZINC001304732829 1067806395 /nfs/dbraw/zinc/80/63/95/1067806395.db2.gz UTFRETHAMXABNK-SFHVURJKSA-N 0 0 456.616 3.266 20 0 JGADRN Cc1cc(C)n(-c2ccccc2Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1 ZINC001304732948 1067806503 /nfs/dbraw/zinc/80/65/03/1067806503.db2.gz VVOYXSZIVNSCLK-PMACEKPBSA-N 0 0 493.637 3.449 20 0 JGADRN Cc1cc(C)n(-c2ccccc2Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1 ZINC001304732954 1067806555 /nfs/dbraw/zinc/80/65/55/1067806555.db2.gz VVOYXSZIVNSCLK-WOJBJXKFSA-N 0 0 493.637 3.449 20 0 JGADRN Cc1cc(C)n([C@H]2CCCN(c3nnc([C@H]4CCOC4)n3CCN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001304733538 1067807192 /nfs/dbraw/zinc/80/71/92/1067807192.db2.gz JDKXEMOAMUSPSI-PMACEKPBSA-N 0 0 473.622 3.304 20 0 JGADRN Cc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n(C)n1 ZINC001304733747 1067807215 /nfs/dbraw/zinc/80/72/15/1067807215.db2.gz ZCVUKPAMSMTATL-FQEVSTJZSA-N 0 0 487.649 3.346 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@H]2CCCCS2(=O)=O)n1 ZINC001304734093 1067807688 /nfs/dbraw/zinc/80/76/88/1067807688.db2.gz CAXRVYXKTAZUKQ-ROUUACIJSA-N 0 0 462.645 3.366 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H](C)CN2CCOCC2)n1 ZINC001304734431 1067808355 /nfs/dbraw/zinc/80/83/55/1067808355.db2.gz AUKUYQPAGVTUIF-GHTZIAJQSA-N 0 0 467.618 3.011 20 0 JGADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCS(=O)(=O)c3ccccc3)C2)n1 ZINC001304734628 1067808447 /nfs/dbraw/zinc/80/84/47/1067808447.db2.gz UJXSSQQLECHKHA-FQEVSTJZSA-N 0 0 485.658 3.489 20 0 JGADRN 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C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C ZINC001303923458 1068577110 /nfs/dbraw/zinc/57/71/10/1068577110.db2.gz OXNCEOIYKRDFFQ-HXOBKFHXSA-N 0 0 482.622 3.369 20 0 JGADRN CC[C@H](C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](O)C1)OC ZINC001305341290 1068577072 /nfs/dbraw/zinc/57/70/72/1068577072.db2.gz BJEUZZXPJQSBCE-IHETXDGRSA-N 0 0 454.413 3.314 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001305341844 1068578347 /nfs/dbraw/zinc/57/83/47/1068578347.db2.gz PWGGYUOJPBAEBB-MHECFPHRSA-N 0 0 473.593 3.242 20 0 JGADRN CC[C@H](C)[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC ZINC001305342160 1068578618 /nfs/dbraw/zinc/57/86/18/1068578618.db2.gz FOAWLCWNCJQPIS-XGHQBKJUSA-N 0 0 475.590 3.300 20 0 JGADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CCN(C)CC(F)(F)F ZINC001303923981 1068578594 /nfs/dbraw/zinc/57/85/94/1068578594.db2.gz JXRVOQZQNSUGPD-MRXNPFEDSA-N 0 0 498.525 3.158 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCN2CCOCC2)n1CC1CC(F)(F)C1 ZINC001303924224 1068578741 /nfs/dbraw/zinc/57/87/41/1068578741.db2.gz TULZOFTVTHPDFP-INIZCTEOSA-N 0 0 453.509 3.371 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001305342620 1068578895 /nfs/dbraw/zinc/57/88/95/1068578895.db2.gz SWFNBUXGYWUTJU-CJAUYULYSA-N 0 0 473.593 3.385 20 0 JGADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CO)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001303924299 1068578924 /nfs/dbraw/zinc/57/89/24/1068578924.db2.gz LQIVUZKGRYUAAO-RKXCMPKHSA-N 0 0 450.580 3.067 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001305342617 1068578949 /nfs/dbraw/zinc/57/89/49/1068578949.db2.gz SWFNBUXGYWUTJU-BVZFJXPGSA-N 0 0 473.593 3.385 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCc2cnccn2)n1Cc1ncnn1C(C)(C)C ZINC001303924528 1068579017 /nfs/dbraw/zinc/57/90/17/1068579017.db2.gz UVWMSXRSJXGUIS-KRWDZBQOSA-N 0 0 479.564 3.421 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@@H]1CSCCS1 ZINC001303924516 1068579027 /nfs/dbraw/zinc/57/90/27/1068579027.db2.gz MXWWNWUHXWWXCG-ARFHVFGLSA-N 0 0 465.620 3.108 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1cnnn1C ZINC001303924575 1068579134 /nfs/dbraw/zinc/57/91/34/1068579134.db2.gz VBSCLHCFHGYVEW-LHSJRXKWSA-N 0 0 497.497 3.264 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001305342672 1068579438 /nfs/dbraw/zinc/57/94/38/1068579438.db2.gz TWLDXEASGLSPHC-HXOBKFHXSA-N 0 0 482.622 3.197 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1CCS(=O)(=O)N(C)C ZINC001303924628 1068579621 /nfs/dbraw/zinc/57/96/21/1068579621.db2.gz VVQVQXJVMDBJIQ-AWEZNQCLSA-N 0 0 493.527 3.227 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCc1cn[nH]c1 ZINC001303924647 1068579764 /nfs/dbraw/zinc/57/97/64/1068579764.db2.gz NLCVWZWNYYKUNX-INIZCTEOSA-N 0 0 455.538 3.005 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001305343040 1068579926 /nfs/dbraw/zinc/57/99/26/1068579926.db2.gz UTRXKQWUUWHRCL-IQOKHDRSSA-N 0 0 470.574 3.232 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001305343042 1068579982 /nfs/dbraw/zinc/57/99/82/1068579982.db2.gz UTRXKQWUUWHRCL-REIDKSKDSA-N 0 0 470.574 3.232 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCn2cccn2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001303924824 1068580006 /nfs/dbraw/zinc/58/00/06/1068580006.db2.gz WYINSDHIUMLRED-SFHVURJKSA-N 0 0 490.605 3.248 20 0 JGADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CO)CC2)n1CCCNC(=O)C1CCC1 ZINC001303924825 1068580022 /nfs/dbraw/zinc/58/00/22/1068580022.db2.gz OUXCAFGZKOCGKE-QGZVFWFLSA-N 0 0 459.566 3.072 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCOC2)n1CCNC(=O)c1ccco1 ZINC001303924792 1068580101 /nfs/dbraw/zinc/58/01/01/1068580101.db2.gz WKGIZFGMNCMNPB-ROUUACIJSA-N 0 0 471.533 3.443 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H]1COCCO1 ZINC001303925742 1068581818 /nfs/dbraw/zinc/58/18/18/1068581818.db2.gz DJHTWWGATLKIDU-ULQDDVLXSA-N 0 0 487.498 3.045 20 0 JGADRN CC[C@H](C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305344065 1068582094 /nfs/dbraw/zinc/58/20/94/1068582094.db2.gz CEACDDLNZGLNQD-ODGPQVTHSA-N 0 0 482.673 3.448 20 0 JGADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H]1CCCO1 ZINC001303925788 1068582451 /nfs/dbraw/zinc/58/24/51/1068582451.db2.gz FHLJVXUAILVSFV-QZTJIDSGSA-N 0 0 459.566 3.431 20 0 JGADRN CC[C@H](C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)OC ZINC001305344677 1068583015 /nfs/dbraw/zinc/58/30/15/1068583015.db2.gz BAXXIKVQJKOEAN-OXJNMPFZSA-N 0 0 469.590 3.341 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305344656 1068583115 /nfs/dbraw/zinc/58/31/15/1068583115.db2.gz YZHYCMKAOJXSNH-NIYFSFCBSA-N 0 0 487.645 3.358 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001303926078 1068583343 /nfs/dbraw/zinc/58/33/43/1068583343.db2.gz HYSMJROUPSXDFW-ROUUACIJSA-N 0 0 499.591 3.494 20 0 JGADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001303926076 1068583375 /nfs/dbraw/zinc/58/33/75/1068583375.db2.gz HYSMJROUPSXDFW-MSOLQXFVSA-N 0 0 499.591 3.494 20 0 JGADRN CC[C@H](C)[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](C)(C(=O)NC)C1)OC ZINC001305344936 1068583506 /nfs/dbraw/zinc/58/35/06/1068583506.db2.gz NOPMNHKXLHQOIY-SMTRDTIPSA-N 0 0 465.602 3.359 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001305345196 1068584010 /nfs/dbraw/zinc/58/40/10/1068584010.db2.gz ZQANYFTVKQLXTE-UZUQRXQVSA-N 0 0 476.021 3.414 20 0 JGADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CCOCC(F)F ZINC001303926519 1068584227 /nfs/dbraw/zinc/58/42/27/1068584227.db2.gz LHJDUGQDMRDDIB-IAGOWNOFSA-N 0 0 481.519 3.430 20 0 JGADRN CC[C@@H](C)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)(C)C)OC ZINC001305345351 1068584677 /nfs/dbraw/zinc/58/46/77/1068584677.db2.gz GDFLOHZOOBPEQP-UZLBHIALSA-N 0 0 459.591 3.128 20 0 JGADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CCOCC(F)F ZINC001303926521 1068585013 /nfs/dbraw/zinc/58/50/13/1068585013.db2.gz LHJDUGQDMRDDIB-SJORKVTESA-N 0 0 481.519 3.430 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CCC=CO1 ZINC001303926839 1068585400 /nfs/dbraw/zinc/58/54/00/1068585400.db2.gz QNRPEVYQSKTAHO-OKZBNKHCSA-N 0 0 464.563 3.263 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCC(C)(C)O ZINC001303927237 1068586224 /nfs/dbraw/zinc/58/62/24/1068586224.db2.gz VCPPKMJKRCWFLQ-IRXDYDNUSA-N 0 0 468.595 3.122 20 0 JGADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccsc1 ZINC001303927364 1068586305 /nfs/dbraw/zinc/58/63/05/1068586305.db2.gz WGSIXLQOEFNKFX-INIZCTEOSA-N 0 0 479.603 3.139 20 0 JGADRN 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COc1ccc(C)cc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccs1 ZINC001299990447 1065293977 /nfs/dbraw/zinc/29/39/77/1065293977.db2.gz LFQWMNASZRERGH-SFHVURJKSA-N 0 0 460.625 3.438 20 0 JGADRN COc1ccc(C)cc1CN1CCN(c2nnc(C(C)C)n2CCCc2nc(C)no2)CC1 ZINC001299990917 1065295205 /nfs/dbraw/zinc/29/52/05/1065295205.db2.gz PMIAACHVGOQRAB-UHFFFAOYSA-N 0 0 453.591 3.365 20 0 JGADRN COc1ccc(C)cc1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001299991067 1065295414 /nfs/dbraw/zinc/29/54/14/1065295414.db2.gz UDJINANKXXFVNO-ICSRJNTNSA-N 0 0 498.628 3.235 20 0 JGADRN COc1ccc(C)cc1CCn1c(-c2cccc(C)n2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001299991287 1065295932 /nfs/dbraw/zinc/29/59/32/1065295932.db2.gz XTHFVPPRIPKDBL-UHFFFAOYSA-N 0 0 469.611 3.222 20 0 JGADRN COc1ccc(C)cc1CN1CCN(c2nnc(CC(C)C)n2CCNC(=O)C(C)(C)C)CC1 ZINC001299991250 1065296013 /nfs/dbraw/zinc/29/60/13/1065296013.db2.gz VMDMTRYBMQKYBP-UHFFFAOYSA-N 0 0 470.662 3.278 20 0 JGADRN COc1ccc(C)cc1CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001299991388 1065296719 /nfs/dbraw/zinc/29/67/19/1065296719.db2.gz YPLNXUPAWGOKOQ-HXUWFJFHSA-N 0 0 478.519 3.467 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001299991833 1065297364 /nfs/dbraw/zinc/29/73/64/1065297364.db2.gz DHGMIYPYAZKWIG-MSOLQXFVSA-N 0 0 486.617 3.301 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H]2CCCSC2)cc1 ZINC001299992059 1065298292 /nfs/dbraw/zinc/29/82/92/1065298292.db2.gz IAFHYBXTYIOAPJ-ZACQAIPSSA-N 0 0 452.646 3.355 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001299992555 1065299433 /nfs/dbraw/zinc/29/94/33/1065299433.db2.gz OXSDBNLGCAVJFS-DLBZAZTESA-N 0 0 459.572 3.026 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2CC[C@@H](F)C2)cc1OC ZINC001299993022 1065299998 /nfs/dbraw/zinc/29/99/98/1065299998.db2.gz YGAGKHSSRAWFSJ-MUQADHOPSA-N 0 0 468.595 3.358 20 0 JGADRN COc1ccc(C2(Cn3c([C@H]4CCCO4)nnc3N(C)CCCS(C)(=O)=O)CCC2)cc1 ZINC001299992960 1065300052 /nfs/dbraw/zinc/30/00/52/1065300052.db2.gz XHUUGSQWBSCPTP-HXUWFJFHSA-N 0 0 462.616 3.131 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CC[C@H](F)C2)cc1OC ZINC001299993020 1065300259 /nfs/dbraw/zinc/30/02/59/1065300259.db2.gz YGAGKHSSRAWFSJ-HPFXQQBRSA-N 0 0 468.595 3.358 20 0 JGADRN CSc1nc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cc(=O)[nH]1 ZINC001299993852 1065300642 /nfs/dbraw/zinc/30/06/42/1065300642.db2.gz NSSIYAOWJJTQIG-UHFFFAOYSA-N 0 0 458.565 3.252 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CCC2CCOCC2)cc1 ZINC001299993077 1065300900 /nfs/dbraw/zinc/30/09/00/1065300900.db2.gz ZFFGVHKOTMQETK-SJORKVTESA-N 0 0 450.605 3.028 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC2(OC)CCC(C)CC2)cc1 ZINC001299994557 1065301329 /nfs/dbraw/zinc/30/13/29/1065301329.db2.gz DSQSAULHMGQRFW-FRIYVGAWSA-N 0 0 464.632 3.418 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC2(OC)CCC(C)CC2)cc1 ZINC001299994559 1065301356 /nfs/dbraw/zinc/30/13/56/1065301356.db2.gz DSQSAULHMGQRFW-OTQYULQBSA-N 0 0 464.632 3.418 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@](C)(O)C2CCCCC2)cc1 ZINC001299995181 1065302092 /nfs/dbraw/zinc/30/20/92/1065302092.db2.gz MCVZXRUUFLZZBT-UZUQRXQVSA-N 0 0 464.632 3.154 20 0 JGADRN COc1ccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2C[C@@H]2CCC[C@H](O)C2)cc1 ZINC001299995059 1065302102 /nfs/dbraw/zinc/30/21/02/1065302102.db2.gz LHQOABIZBFORAA-QBKZBJQZSA-N 0 0 455.603 3.388 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2Cc2nnn(C)n2)cc1Br ZINC001299995525 1065302997 /nfs/dbraw/zinc/30/29/97/1065302997.db2.gz PQGHVIUWHQNUTE-ZFWWWQNUSA-N 0 0 475.395 3.303 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2csc(C)c2)c(OC)c1 ZINC001299996200 1065304441 /nfs/dbraw/zinc/30/44/41/1065304441.db2.gz WOOSFYJTMDSRHR-AWEZNQCLSA-N 0 0 464.613 3.250 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2Cc2cccc(Br)n2)c(OC)c1 ZINC001299996398 1065305093 /nfs/dbraw/zinc/30/50/93/1065305093.db2.gz ZHJAOHNYONJESQ-OAHLLOKOSA-N 0 0 474.359 3.393 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC(=O)NCC2CC2)cc1Br ZINC001299996641 1065305581 /nfs/dbraw/zinc/30/55/81/1065305581.db2.gz KYIKLGUYHVALOZ-HNNXBMFYSA-N 0 0 480.432 3.184 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@]2(C)COCCO2)cc1Br ZINC001299996583 1065305824 /nfs/dbraw/zinc/30/58/24/1065305824.db2.gz JILCXVVFXNMPMI-MGPUTAFESA-N 0 0 483.432 3.463 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nc(C)cs2)cc1 ZINC001299996716 1065306352 /nfs/dbraw/zinc/30/63/52/1065306352.db2.gz NCXRHQKTOIZYCV-PBHICJAKSA-N 0 0 461.613 3.146 20 0 JGADRN COc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccnc2)C(C)C)cc1OC ZINC001299996851 1065306964 /nfs/dbraw/zinc/30/69/64/1065306964.db2.gz QMBUWCDHJUOLED-SFTDATJTSA-N 0 0 499.637 3.420 20 0 JGADRN COc1ccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2CC[C@H]2CCOC2)cc1 ZINC001299997681 1065308125 /nfs/dbraw/zinc/30/81/25/1065308125.db2.gz MIYBYPVNYNKVCY-FQEVSTJZSA-N 0 0 457.619 3.175 20 0 JGADRN COc1ccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@H]2C[C@@H]2C)c(OC)c1 ZINC001299997461 1065308398 /nfs/dbraw/zinc/30/83/98/1065308398.db2.gz JPRCLUYPFLZOPR-RBUKOAKNSA-N 0 0 457.619 3.413 20 0 JGADRN COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCCCO2)cc1Br ZINC001299997763 1065309100 /nfs/dbraw/zinc/30/91/00/1065309100.db2.gz ODRLATXQMOENQC-MRXNPFEDSA-N 0 0 480.407 3.246 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001545691556 1065310650 /nfs/dbraw/zinc/31/06/50/1065310650.db2.gz DJMGNRPKMOUILV-ICSRJNTNSA-N 0 0 477.613 3.103 20 0 JGADRN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001545691579 1065310666 /nfs/dbraw/zinc/31/06/66/1065310666.db2.gz DOIJMZXQTZQLQY-IBGZPJMESA-N 0 0 465.577 3.419 20 0 JGADRN Cc1ccc(Cn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)s1 ZINC001492198538 1065311048 /nfs/dbraw/zinc/31/10/48/1065311048.db2.gz BNEOEUVODVEGMQ-IAGOWNOFSA-N 0 0 472.640 3.193 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(=O)n1C ZINC001492198718 1065311220 /nfs/dbraw/zinc/31/12/20/1065311220.db2.gz DZAVAWPLQVWRKU-GOSISDBHSA-N 0 0 498.653 3.431 20 0 JGADRN Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(CC(=O)N(C)C)CC2)c(F)c1 ZINC001492199096 1065311888 /nfs/dbraw/zinc/31/18/88/1065311888.db2.gz LAUZGBBCLZKAFJ-UHFFFAOYSA-N 0 0 450.562 3.454 20 0 JGADRN Cc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cn1 ZINC001492199358 1065312496 /nfs/dbraw/zinc/31/24/96/1065312496.db2.gz QKMVWYNPJVNSEB-ZWKOTPCHSA-N 0 0 466.611 3.360 20 0 JGADRN Cc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)s1 ZINC001492199332 1065312556 /nfs/dbraw/zinc/31/25/56/1065312556.db2.gz PODYAXCEVUSLIW-QGZVFWFLSA-N 0 0 451.643 3.065 20 0 JGADRN Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cn1 ZINC001492200429 1065313939 /nfs/dbraw/zinc/31/39/39/1065313939.db2.gz KBHXBCYSNCIEIK-JOCHJYFZSA-N 0 0 469.611 3.055 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cn1 ZINC001492200435 1065314000 /nfs/dbraw/zinc/31/40/00/1065314000.db2.gz CCTIQMNOLWHGFN-NRFANRHFSA-N 0 0 497.644 3.236 20 0 JGADRN Cc1ccc(Cn2c(CC3CCCC3)nnc2N(C)CCCS(C)(=O)=O)c(N2CCOCC2)c1 ZINC001492201026 1065314547 /nfs/dbraw/zinc/31/45/47/1065314547.db2.gz RIVRXFBZRJLPSV-UHFFFAOYSA-N 0 0 489.686 3.075 20 0 JGADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001492201762 1065315720 /nfs/dbraw/zinc/31/57/20/1065315720.db2.gz WRMWIKHLLMYUKQ-PZJWPPBQSA-N 0 0 482.629 3.497 20 0 JGADRN Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cn1 ZINC001492201662 1065315741 /nfs/dbraw/zinc/31/57/41/1065315741.db2.gz TUPRLCTURSPBHA-RHSMWYFYSA-N 0 0 480.516 3.177 20 0 JGADRN Cc1ccc(Cn2c(N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001492203149 1065317642 /nfs/dbraw/zinc/31/76/42/1065317642.db2.gz TXQZCRXGHZGVOF-UHFFFAOYSA-N 0 0 480.657 3.181 20 0 JGADRN Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)s1 ZINC001492203171 1065317684 /nfs/dbraw/zinc/31/76/84/1065317684.db2.gz UOUAQDBOELLNLL-LJQANCHMSA-N 0 0 464.588 3.428 20 0 JGADRN Cc1ccc(Cn2c(N(C)[C@H](C)c3cccc(O)c3)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C ZINC001492203022 1065317692 /nfs/dbraw/zinc/31/76/92/1065317692.db2.gz PXGQAMXSKCEMHZ-BCHFMIIMSA-N 0 0 481.597 3.277 20 0 JGADRN Cc1ccc(Cn2c(N3CCN(C(=O)OC(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001492203549 1065318304 /nfs/dbraw/zinc/31/83/04/1065318304.db2.gz HFCIBSNWKRUPMM-VWLOTQADSA-N 0 0 486.617 3.128 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCN(C)C(=O)[C@H]2C)c(OCC(F)(F)F)c1 ZINC001492205015 1065319411 /nfs/dbraw/zinc/31/94/11/1065319411.db2.gz AGMFXQKLJDQCJH-NVXWUHKLSA-N 0 0 467.492 3.094 20 0 JGADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccco3)CC2)cc1F ZINC001492205289 1065319548 /nfs/dbraw/zinc/31/95/48/1065319548.db2.gz GQZRDBLDBXXOSR-UHFFFAOYSA-N 0 0 482.560 3.038 20 0 JGADRN 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Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)N3CCOCC3)C2)nc1 ZINC001492277181 1065371714 /nfs/dbraw/zinc/37/17/14/1065371714.db2.gz VDPPJVKJIYAXHU-FCHUYYIVSA-N 0 0 497.688 3.491 20 0 JGADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4cccc(C)n4)n3CCCCCO)C2)nc1 ZINC001492280283 1065373337 /nfs/dbraw/zinc/37/33/37/1065373337.db2.gz FFAFDIQIPQZVFA-HXUWFJFHSA-N 0 0 463.586 3.370 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)(C)C)n3CC3(C(N)=O)CCCC3)CC2)nc1 ZINC001492280563 1065373358 /nfs/dbraw/zinc/37/33/58/1065373358.db2.gz HYJODVDCUPUQTD-UHFFFAOYSA-N 0 0 467.618 3.180 20 0 JGADRN Cc1ccc(NC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccccc3C)CC2)nc1 ZINC001492280831 1065373989 /nfs/dbraw/zinc/37/39/89/1065373989.db2.gz KOLFQQLPOUVFON-UHFFFAOYSA-N 0 0 475.597 3.332 20 0 JGADRN Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1CCOc1ncccc1Cl ZINC001492281917 1065375090 /nfs/dbraw/zinc/37/50/90/1065375090.db2.gz VMKLWUIAASUGRG-QGZVFWFLSA-N 0 0 455.950 3.272 20 0 JGADRN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@H]4CCCOC4)n3CCOCC(F)F)C2)nc1 ZINC001492281908 1065375268 /nfs/dbraw/zinc/37/52/68/1065375268.db2.gz VLDOKLSZONOSGK-ROUUACIJSA-N 0 0 478.544 3.012 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3nccs3)C2)cc1 ZINC001492289207 1065375694 /nfs/dbraw/zinc/37/56/94/1065375694.db2.gz WYIDUWGZZLQWDI-IEBWSBKVSA-N 0 0 470.599 3.227 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCO2)cc1 ZINC001492283404 1065376477 /nfs/dbraw/zinc/37/64/77/1065376477.db2.gz HVJDKNQXLBZECF-PXDATVDWSA-N 0 0 471.602 3.271 20 0 JGADRN Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)s1 ZINC001492283782 1065376485 /nfs/dbraw/zinc/37/64/85/1065376485.db2.gz LPMNBQWAQYRUFQ-UHFFFAOYSA-N 0 0 452.584 3.316 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001492284416 1065377084 /nfs/dbraw/zinc/37/70/84/1065377084.db2.gz UKLAGNJQXUXMSA-GOSISDBHSA-N 0 0 468.524 3.048 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC2COC(C)(C)OC2)cc1 ZINC001492289233 1065377916 /nfs/dbraw/zinc/37/79/16/1065377916.db2.gz XMUYCWVKBRUGJH-GOSISDBHSA-N 0 0 459.591 3.028 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001492286970 1065379087 /nfs/dbraw/zinc/37/90/87/1065379087.db2.gz KHTMGCVYGHWREJ-XMMPIXPASA-N 0 0 491.640 3.004 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCC2(C)C)cc1 ZINC001492286935 1065379324 /nfs/dbraw/zinc/37/93/24/1065379324.db2.gz JGNVPICOQVJZGI-RTBURBONSA-N 0 0 473.643 3.390 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC001492287068 1065380000 /nfs/dbraw/zinc/38/00/00/1065380000.db2.gz AJBOBYLQSDGYDR-QFIPXVFZSA-N 0 0 498.672 3.085 20 0 JGADRN Cc1nnc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1Cc1ncnn1C(C)(C)C ZINC001492287827 1065381853 /nfs/dbraw/zinc/38/18/53/1065381853.db2.gz IMJMLASBTFPXKZ-LJQANCHMSA-N 0 0 465.606 3.328 20 0 JGADRN Cc1nnc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1Cc1ncnn1C(C)(C)C ZINC001492287826 1065381989 /nfs/dbraw/zinc/38/19/89/1065381989.db2.gz IMJMLASBTFPXKZ-IBGZPJMESA-N 0 0 465.606 3.328 20 0 JGADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC(=O)NCC3CC3)C2)cc1 ZINC001492288374 1065382402 /nfs/dbraw/zinc/38/24/02/1065382402.db2.gz LTQYWXJGCNCLSW-FQEVSTJZSA-N 0 0 481.645 3.448 20 0 JGADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC001492288504 1065383301 /nfs/dbraw/zinc/38/33/01/1065383301.db2.gz YJQXJVLHVKPKMT-SESVDKBCSA-N 0 0 468.602 3.208 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cscn3)n2CCC2(O)CCOCC2)cc1C ZINC001492239084 1065383850 /nfs/dbraw/zinc/38/38/50/1065383850.db2.gz XYIMQOCUQHTANT-UHFFFAOYSA-N 0 0 470.599 3.172 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@]2(C)CN(C)C2=O)cc1C ZINC001492238967 1065384115 /nfs/dbraw/zinc/38/41/15/1065384115.db2.gz XAAZVDZAHVWCNM-CLOONOSVSA-N 0 0 450.587 3.418 20 0 JGADRN Cc1noc(C)c1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCSC1 ZINC001492239133 1065384682 /nfs/dbraw/zinc/38/46/82/1065384682.db2.gz YZIGLGBQHQYBGM-QHCPKHFHSA-N 0 0 470.599 3.256 20 0 JGADRN Cc1ccc(NC(=O)c2nnc(N(C)Cc3nccs3)n2CC[C@H]2COCCO2)cc1C ZINC001492239250 1065384780 /nfs/dbraw/zinc/38/47/80/1065384780.db2.gz ZWIWYXQZUNTFKO-SFHVURJKSA-N 0 0 456.572 3.046 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C)C2)c1 ZINC001492301220 1065384789 /nfs/dbraw/zinc/38/47/89/1065384789.db2.gz BAPSBPPKVQWDMV-HNNXBMFYSA-N 0 0 458.469 3.109 20 0 JGADRN Cc1nc(Cc2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](C)Oc2ccc(C)cc2)cs1 ZINC001492302126 1065385510 /nfs/dbraw/zinc/38/55/10/1065385510.db2.gz FPOJGOSCDJGHJG-INIZCTEOSA-N 0 0 454.600 3.111 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC001492302234 1065385522 /nfs/dbraw/zinc/38/55/22/1065385522.db2.gz GUHJBRDJMUIWSW-SFTDATJTSA-N 0 0 468.646 3.042 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccn3)CC2)c1 ZINC001492302656 1065385969 /nfs/dbraw/zinc/38/59/69/1065385969.db2.gz IFMFRRXRPJFRME-UHFFFAOYSA-N 0 0 485.539 3.096 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(N3CCC[C@@H](CNS(C)(=O)=O)C3)nnc2C(C)(C)C)c1 ZINC001492302602 1065386033 /nfs/dbraw/zinc/38/60/33/1065386033.db2.gz KAIWUPPIPFWIHD-INIZCTEOSA-N 0 0 485.601 3.299 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cnn(C)c3)nnc2N2CCC(CCC(N)=O)CC2)c1 ZINC001492302763 1065386651 /nfs/dbraw/zinc/38/66/51/1065386651.db2.gz MBHOPUQPKJTWLT-UHFFFAOYSA-N 0 0 473.528 3.119 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC001492303596 1065386766 /nfs/dbraw/zinc/38/67/66/1065386766.db2.gz TUWYPBDJNUSWOY-UHFFFAOYSA-N 0 0 486.617 3.297 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(CC(C)C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC001492304022 1065387246 /nfs/dbraw/zinc/38/72/46/1065387246.db2.gz WFKBZDRGMMHNTJ-UHFFFAOYSA-N 0 0 485.601 3.295 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 ZINC001492305981 1065388049 /nfs/dbraw/zinc/38/80/49/1065388049.db2.gz PKRHBHQAHYQRDT-UXHICEINSA-N 0 0 496.637 3.162 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H]2CCCCN2C2CC2)cc1C ZINC001492310018 1065389251 /nfs/dbraw/zinc/38/92/51/1065389251.db2.gz BJQXIIJOSSWNLW-RBBKRZOGSA-N 0 0 489.686 3.360 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cccn3C)nnc2N(C)CCN2CCOCC2)c1 ZINC001492308174 1065389439 /nfs/dbraw/zinc/38/94/39/1065389439.db2.gz YRQBLVBVCWNVSF-UHFFFAOYSA-N 0 0 460.529 3.010 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCN(C)CC(F)(F)F)CC2)cc1 ZINC001492310625 1065389951 /nfs/dbraw/zinc/38/99/51/1065389951.db2.gz HFADXFDCAMYQGD-IBGZPJMESA-N 0 0 480.535 3.080 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC(F)(F)Br)cc1C ZINC001492311193 1065390532 /nfs/dbraw/zinc/39/05/32/1065390532.db2.gz KXBDSRJFYLBKRN-AWEZNQCLSA-N 0 0 495.390 3.331 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CCc2cccnc2)cc1C ZINC001492311523 1065390588 /nfs/dbraw/zinc/39/05/88/1065390588.db2.gz NADZUENTNCCPGG-WOJBJXKFSA-N 0 0 471.627 3.369 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CC3(C)C)CC2)cc1 ZINC001492312055 1065391117 /nfs/dbraw/zinc/39/11/17/1065391117.db2.gz PLAKLXJPPSJCHK-ZWKOTPCHSA-N 0 0 461.632 3.291 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H]2CCCSC2)cc1C ZINC001492313632 1065391945 /nfs/dbraw/zinc/39/19/45/1065391945.db2.gz WOWLWBVGMHABRX-RTBURBONSA-N 0 0 466.673 3.486 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCOC3)n2CCCn2cc(Br)cn2)cc1 ZINC001492315826 1065392271 /nfs/dbraw/zinc/39/22/71/1065392271.db2.gz CORWHPRCUDCTTM-GOSISDBHSA-N 0 0 475.391 3.440 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)cc1C ZINC001492316229 1065392977 /nfs/dbraw/zinc/39/29/77/1065392977.db2.gz HLJRBFTXPYGAFI-PZJWPPBQSA-N 0 0 479.572 3.055 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC(=O)N2CCOCC2)cc1 ZINC001492316215 1065392992 /nfs/dbraw/zinc/39/29/92/1065392992.db2.gz HKSNNJHMGAPSKO-NHCUHLMSSA-N 0 0 455.603 3.429 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C3CCCCC3)n2CCNC(=O)c2ccn[nH]2)cc1C ZINC001492317434 1065393663 /nfs/dbraw/zinc/39/36/63/1065393663.db2.gz MWSXTQHQCSIQJZ-UHFFFAOYSA-N 0 0 451.575 3.396 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@@H]2CC(F)(F)CO2)cc1 ZINC001492319540 1065394558 /nfs/dbraw/zinc/39/45/58/1065394558.db2.gz CPVHYYUAEDLDGF-NRFANRHFSA-N 0 0 493.599 3.384 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCc2ccncc2)cc1C ZINC001492320619 1065394777 /nfs/dbraw/zinc/39/47/77/1065394777.db2.gz OVAMAXRZOQSUFY-UHFFFAOYSA-N 0 0 450.587 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2CCN2CCc3sccc3C2)cc1 ZINC001492320644 1065395234 /nfs/dbraw/zinc/39/52/34/1065395234.db2.gz PDSAGHREOHNXAN-UHFFFAOYSA-N 0 0 482.654 3.246 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCSC1 ZINC001492320742 1065395267 /nfs/dbraw/zinc/39/52/67/1065395267.db2.gz QVCOMFIEPHTGQZ-DEOSSOPVSA-N 0 0 470.643 3.329 20 0 JGADRN Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001492323228 1065395872 /nfs/dbraw/zinc/39/58/72/1065395872.db2.gz KOHTWMUQXIBXET-IBGZPJMESA-N 0 0 473.599 3.232 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCc2cnn(C)n2)cc1C ZINC001492325693 1065398145 /nfs/dbraw/zinc/39/81/45/1065398145.db2.gz QJBSYCCQWQTKBS-UHFFFAOYSA-N 0 0 484.008 3.259 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@@H]2CCCCO2)cc1 ZINC001492325766 1065398188 /nfs/dbraw/zinc/39/81/88/1065398188.db2.gz RRBDJMGAEIMNSE-SFHVURJKSA-N 0 0 461.517 3.228 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1C ZINC001492329137 1065399016 /nfs/dbraw/zinc/39/90/16/1065399016.db2.gz CGBIIMRSDFMGCU-HDYDNRTBSA-N 0 0 464.607 3.483 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCCS(C)(=O)=O)n2CC(F)(F)Br)cc1C ZINC001492328980 1065399162 /nfs/dbraw/zinc/39/91/62/1065399162.db2.gz CRGDYFRLNOZJBK-UHFFFAOYSA-N 0 0 495.390 3.333 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCc1cnccn1 ZINC001492329774 1065399900 /nfs/dbraw/zinc/39/99/00/1065399900.db2.gz NFAQCKCIAAEIHV-UHFFFAOYSA-N 0 0 460.586 3.341 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001492330412 1065401030 /nfs/dbraw/zinc/40/10/30/1065401030.db2.gz MBYNNFRSHHETNH-NRFANRHFSA-N 0 0 497.562 3.291 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2C[C@@H]2CCCCS2(=O)=O)cc1C ZINC001492331054 1065401549 /nfs/dbraw/zinc/40/15/49/1065401549.db2.gz QFLNUUWQCTWLHW-QFIPXVFZSA-N 0 0 476.643 3.304 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2CCC2(O)CCC2)cc1C ZINC001492331537 1065401593 /nfs/dbraw/zinc/40/15/93/1065401593.db2.gz ZGUODXKQBJIKCR-UHFFFAOYSA-N 0 0 471.646 3.326 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CC(F)C3)n2CC2CCS(=O)(=O)CC2)cc1C ZINC001492332429 1065402636 /nfs/dbraw/zinc/40/26/36/1065402636.db2.gz ZISSXBSBDHJKRG-UHFFFAOYSA-N 0 0 464.607 3.483 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2CC2(NC(=O)OC(C)(C)C)COC2)cc1 ZINC001492336973 1065404553 /nfs/dbraw/zinc/40/45/53/1065404553.db2.gz JEKLRDYCKBSALN-HXUWFJFHSA-N 0 0 487.601 3.074 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@](C)(O)c2ccsc2)cc1C ZINC001492337988 1065406001 /nfs/dbraw/zinc/40/60/01/1065406001.db2.gz JGRGUXKFYOIBDF-UUOWRZLLSA-N 0 0 469.611 3.110 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@]4(CCOC4)OC(C)(C)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492338179 1065406119 /nfs/dbraw/zinc/40/61/19/1065406119.db2.gz KJWPGLMWIXAAKO-JWQCQUIFSA-N 0 0 458.603 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)cc1 ZINC001492339750 1065407628 /nfs/dbraw/zinc/40/76/28/1065407628.db2.gz VLMHXDKZRDCDEU-BKMJKUGQSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@H]2CCO[C@@H](C)C2)cc1C ZINC001492339790 1065407726 /nfs/dbraw/zinc/40/77/26/1065407726.db2.gz VWEVDUJUQZWCCM-PMACEKPBSA-N 0 0 476.643 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCNC(=O)C(C)C)n2Cc2cnn3ccccc23)cc1 ZINC001492339870 1065408353 /nfs/dbraw/zinc/40/83/53/1065408353.db2.gz WMSIUHYBGVINOY-UHFFFAOYSA-N 0 0 461.570 3.070 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCOc2ccc(Cl)cn2)cc1C ZINC001492339936 1065408380 /nfs/dbraw/zinc/40/83/80/1065408380.db2.gz XZJADTMSPHXGRY-GOSISDBHSA-N 0 0 484.988 3.268 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CCNC(=O)C(C)C)n2Cc2ncnn2C(C)(C)C)cc1C ZINC001492340279 1065408404 /nfs/dbraw/zinc/40/84/04/1065408404.db2.gz YYKOPDKMYZVOJM-UHFFFAOYSA-N 0 0 482.633 3.077 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)cc1 ZINC001492293786 1065409050 /nfs/dbraw/zinc/40/90/50/1065409050.db2.gz DAQSLCMTTQYXNZ-ZWKOTPCHSA-N 0 0 464.657 3.288 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)cc1 ZINC001492294540 1065409857 /nfs/dbraw/zinc/40/98/57/1065409857.db2.gz IZGRHGMAONLWGO-BKVYNOPKSA-N 0 0 450.580 3.140 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001492294947 1065410395 /nfs/dbraw/zinc/41/03/95/1065410395.db2.gz LBJZKSFGTNAVAC-IBGZPJMESA-N 0 0 465.602 3.149 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC2COC(C)(C)OC2)cc1 ZINC001492295905 1065411232 /nfs/dbraw/zinc/41/12/32/1065411232.db2.gz PZZMJMTYOGUKFA-GOSISDBHSA-N 0 0 452.559 3.346 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC001492295651 1065411355 /nfs/dbraw/zinc/41/13/55/1065411355.db2.gz POKKFABAJRFNQL-FQEVSTJZSA-N 0 0 498.653 3.285 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 ZINC001492298029 1065412289 /nfs/dbraw/zinc/41/22/89/1065412289.db2.gz ZVNXQKWNTCBHGR-GGPKGHCWSA-N 0 0 450.605 3.165 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 ZINC001492297727 1065412309 /nfs/dbraw/zinc/41/23/09/1065412309.db2.gz YDBKTMIRFZHDNM-RTWAWAEBSA-N 0 0 477.613 3.500 20 0 JGADRN CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001545691876 1065412967 /nfs/dbraw/zinc/41/29/67/1065412967.db2.gz JZWPFMHHGZSGDG-IAGOWNOFSA-N 0 0 480.535 3.063 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)n2CCCOC(C)C)cc1C ZINC001492351110 1065413024 /nfs/dbraw/zinc/41/30/24/1065413024.db2.gz BJNHRBLXPDGBJX-SANMLTNESA-N 0 0 498.628 3.104 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CCOC2)cc1C ZINC001492391005 1065413074 /nfs/dbraw/zinc/41/30/74/1065413074.db2.gz JKZPBMRDWKOOKX-GOSISDBHSA-N 0 0 453.509 3.195 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCNS(C)(=O)=O)cc1C ZINC001492353706 1065416358 /nfs/dbraw/zinc/41/63/58/1065416358.db2.gz JIVIBQDHRXKZAM-UHFFFAOYSA-N 0 0 489.564 3.192 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492354030 1065418044 /nfs/dbraw/zinc/41/80/44/1065418044.db2.gz UKHTYCJROVGERU-QHCPKHFHSA-N 0 0 497.562 3.467 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(Cc4ccsc4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001492391043 1065418730 /nfs/dbraw/zinc/41/87/30/1065418730.db2.gz KNCNTQPZVSBLQS-UHFFFAOYSA-N 0 0 482.654 3.321 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CCN(C)CC(F)(F)F)cc1 ZINC001492354139 1065418756 /nfs/dbraw/zinc/41/87/56/1065418756.db2.gz YLLGVGOHLDQLRZ-IBGZPJMESA-N 0 0 491.562 3.462 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001492358447 1065418919 /nfs/dbraw/zinc/41/89/19/1065418919.db2.gz AQEFQYISQDBYSM-KOSHJBKYSA-N 0 0 489.642 3.137 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC2(C)COC2)cc1C ZINC001492358495 1065419900 /nfs/dbraw/zinc/41/99/00/1065419900.db2.gz BBKSGEBOWKBDRI-UHFFFAOYSA-N 0 0 454.493 3.404 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001492360621 1065423163 /nfs/dbraw/zinc/42/31/63/1065423163.db2.gz YFQNVKGUBXXDNX-LJQANCHMSA-N 0 0 498.628 3.315 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1 ZINC001492363917 1065425801 /nfs/dbraw/zinc/42/58/01/1065425801.db2.gz OLKSIAJZJJWVBY-CVDCTZTESA-N 0 0 476.643 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@]2(O)CCO[C@H]2C)cc1C ZINC001492364243 1065426551 /nfs/dbraw/zinc/42/65/51/1065426551.db2.gz UJYIDKZDVXLZPB-NBGIEHNGSA-N 0 0 458.603 3.408 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC4(C3)CCOCC4)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492363992 1065426592 /nfs/dbraw/zinc/42/65/92/1065426592.db2.gz QDTOHGSQRQGZLU-UHFFFAOYSA-N 0 0 481.519 3.159 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCO[C@H]2CCCC[C@H]2C)cc1 ZINC001492369596 1065429620 /nfs/dbraw/zinc/42/96/20/1065429620.db2.gz PAQWJNAZVDRZLT-URVUXULASA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CCN2CCOC[C@@H]2C)cc1 ZINC001492369203 1065429626 /nfs/dbraw/zinc/42/96/26/1065429626.db2.gz MCRAWWKRGHXWNB-SFHVURJKSA-N 0 0 476.419 3.375 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(C)C)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1C ZINC001492369377 1065429689 /nfs/dbraw/zinc/42/96/89/1065429689.db2.gz NVBIIPGKRZHSEL-OAQYLSRUSA-N 0 0 490.670 3.286 20 0 JGADRN Cc1nc(C[C@@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCCC(=O)N(C)C)C2)no1 ZINC001492369975 1065431066 /nfs/dbraw/zinc/43/10/66/1065431066.db2.gz DQODYUUTFJIZOD-FQEVSTJZSA-N 0 0 481.601 3.184 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCCN2CCOCC2)cc1 ZINC001492370333 1065432833 /nfs/dbraw/zinc/43/28/33/1065432833.db2.gz IDQXYHPVEBLCRW-OAQYLSRUSA-N 0 0 497.562 3.436 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC(=O)NCC(F)F)cc1 ZINC001492370865 1065433491 /nfs/dbraw/zinc/43/34/91/1065433491.db2.gz VKVTZSXPKFGWRW-CQSZACIVSA-N 0 0 461.435 3.326 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2CC2CCCC2)cc1 ZINC001492370757 1065433525 /nfs/dbraw/zinc/43/35/25/1065433525.db2.gz KZVBZEIPUDQQHR-HXUWFJFHSA-N 0 0 461.632 3.121 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC001492370998 1065434340 /nfs/dbraw/zinc/43/43/40/1065434340.db2.gz WISQRGMGOQWXHP-ROUUACIJSA-N 0 0 468.570 3.390 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC(=O)N2CCOCC2)cc1C ZINC001492370980 1065434396 /nfs/dbraw/zinc/43/43/96/1065434396.db2.gz WFNXFVZYXQGVSE-LJQANCHMSA-N 0 0 477.556 3.204 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@]2(C)COCCO2)cc1 ZINC001492371429 1065435964 /nfs/dbraw/zinc/43/59/64/1065435964.db2.gz RCGIYYHKPYPZTN-JIPXPUAJSA-N 0 0 499.656 3.350 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCn2cc(Cl)cn2)cc1 ZINC001492371717 1065436059 /nfs/dbraw/zinc/43/60/59/1065436059.db2.gz SVMUILXGFDREGX-HXUWFJFHSA-N 0 0 486.020 3.457 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@](C)(O)c2cccs2)cc1 ZINC001492372264 1065437386 /nfs/dbraw/zinc/43/73/86/1065437386.db2.gz XUNKFARFVARTLR-AUSIDOKSSA-N 0 0 490.651 3.148 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@](C)(O)c2cccs2)cc1 ZINC001492372267 1065437424 /nfs/dbraw/zinc/43/74/24/1065437424.db2.gz XUNKFARFVARTLR-XXBNENTESA-N 0 0 490.651 3.148 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](n4cncn4)C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001492372371 1065437531 /nfs/dbraw/zinc/43/75/31/1065437531.db2.gz YVIOLPWZZSHGHQ-AONNBLCTSA-N 0 0 471.631 3.146 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](n4cncn4)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492372372 1065438120 /nfs/dbraw/zinc/43/81/20/1065438120.db2.gz YVIOLPWZZSHGHQ-ASPBEGMCSA-N 0 0 471.631 3.146 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCc2cccs2)cc1C ZINC001492376720 1065438856 /nfs/dbraw/zinc/43/88/56/1065438856.db2.gz DEULJQDLZTWGOW-UHFFFAOYSA-N 0 0 489.667 3.250 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H]3[C@@H]3CCCO3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492378166 1065440802 /nfs/dbraw/zinc/44/08/02/1065440802.db2.gz JTJGJTRQPAYGCY-OALUTQOASA-N 0 0 481.519 3.300 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1C ZINC001492377901 1065442332 /nfs/dbraw/zinc/44/23/32/1065442332.db2.gz YGNLDBPTZWEWBF-MOPGFXCFSA-N 0 0 494.562 3.060 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCCOC[C@H]2CCCO2)cc1 ZINC001492377880 1065442341 /nfs/dbraw/zinc/44/23/41/1065442341.db2.gz XWDNBDWBZOOVSS-HSZRJFAPSA-N 0 0 499.656 3.446 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H]3c3nncn3C)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001492378317 1065443104 /nfs/dbraw/zinc/44/31/04/1065443104.db2.gz KZPPONQZJOACPK-TYHYVREOSA-N 0 0 485.658 3.491 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(=O)C4CC4)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492379400 1065443735 /nfs/dbraw/zinc/44/37/35/1065443735.db2.gz RAVLIXWTPPWDJG-AREMUKBSSA-N 0 0 469.630 3.330 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)CC4CCCCC4)CC3)n2CC(=O)NC(C)C)cc1 ZINC001492383106 1065446294 /nfs/dbraw/zinc/44/62/94/1065446294.db2.gz KYQDMLODNIZENP-UHFFFAOYSA-N 0 0 496.656 3.309 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H]2OCCC2(C)C)cc1 ZINC001492383070 1065446354 /nfs/dbraw/zinc/44/63/54/1065446354.db2.gz JPYKZIXVZIJXCH-NRFANRHFSA-N 0 0 455.603 3.285 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H]2CC=CCO2)cc1C ZINC001492383268 1065446989 /nfs/dbraw/zinc/44/69/89/1065446989.db2.gz PZLAPRCTDTWYDH-QFIPXVFZSA-N 0 0 453.587 3.124 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2Cc2ccc(F)cn2)cc1C ZINC001492383224 1065447048 /nfs/dbraw/zinc/44/70/48/1065447048.db2.gz OJWGNWPQSPGRHW-UHFFFAOYSA-N 0 0 466.561 3.361 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2Cc2cnnn2C)cc1C ZINC001492383434 1065447846 /nfs/dbraw/zinc/44/78/46/1065447846.db2.gz RYARVPOQUKRBNQ-LJQANCHMSA-N 0 0 496.616 3.096 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001492383749 1065448699 /nfs/dbraw/zinc/44/86/99/1065448699.db2.gz BLOYBIFUICXRNF-UHFFFAOYSA-N 0 0 498.031 3.313 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4ccc(C(N)=O)cn4)CC3)n2CCC(C)(F)F)cc1 ZINC001492383702 1065448774 /nfs/dbraw/zinc/44/87/74/1065448774.db2.gz AXZTXZANRBFWRA-UHFFFAOYSA-N 0 0 485.539 3.031 20 0 JGADRN Cc1c(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)cnn1CC(C)C ZINC001492383630 1065448804 /nfs/dbraw/zinc/44/88/04/1065448804.db2.gz WQHKUDBFXCFYFS-HXUWFJFHSA-N 0 0 465.602 3.042 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@](C)(O)C(C)C)cc1 ZINC001492384303 1065451328 /nfs/dbraw/zinc/45/13/28/1065451328.db2.gz FUKNAECCJGXZEK-NLFFAJNJSA-N 0 0 457.619 3.266 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1 ZINC001492384585 1065451447 /nfs/dbraw/zinc/45/14/47/1065451447.db2.gz IFVXWRLYWCYHAB-UHFFFAOYSA-N 0 0 496.656 3.119 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@]2(C)COCCO2)cc1C ZINC001492385337 1065453031 /nfs/dbraw/zinc/45/30/31/1065453031.db2.gz QEOLRCDILLMNJX-AUSIDOKSSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@]2(C)COCCO2)cc1C ZINC001492385339 1065453082 /nfs/dbraw/zinc/45/30/82/1065453082.db2.gz QEOLRCDILLMNJX-WMZHIEFXSA-N 0 0 497.562 3.352 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(c4ccccn4)CC3)n2CCCNC(=O)C(C)C)cc1 ZINC001492385566 1065453168 /nfs/dbraw/zinc/45/31/68/1065453168.db2.gz RPLGSEPDUNLWGR-UHFFFAOYSA-N 0 0 477.613 3.049 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CCC2(F)CCC2)cc1 ZINC001492386172 1065454854 /nfs/dbraw/zinc/45/48/54/1065454854.db2.gz YTEXKKYTRHJDKI-UHFFFAOYSA-N 0 0 472.609 3.094 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](C)N2CCOCC2)cc1 ZINC001492340962 1065456454 /nfs/dbraw/zinc/45/64/54/1065456454.db2.gz WZOSYBRXNOIQGH-FQEVSTJZSA-N 0 0 457.619 3.280 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@]2(C)CCCS2)cc1C ZINC001492390934 1065456477 /nfs/dbraw/zinc/45/64/77/1065456477.db2.gz HETKDPSTYCDRMM-CVDCTZTESA-N 0 0 493.699 3.230 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)[C@@H]4CCCC[C@H]43)n2CCCNS(C)(=O)=O)cc1C ZINC001492340974 1065457046 /nfs/dbraw/zinc/45/70/46/1065457046.db2.gz XHUBNHKABCPEHE-ILWGZMRPSA-N 0 0 475.659 3.428 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492343858 1065458118 /nfs/dbraw/zinc/45/81/18/1065458118.db2.gz HCTBCETWNGSLAU-BUUDZMLXSA-N 0 0 458.603 3.347 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H]4NC(=O)CC[C@H]4C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC001492344241 1065458141 /nfs/dbraw/zinc/45/81/41/1065458141.db2.gz KSIZXOJWADSOLG-DYXWJJEUSA-N 0 0 498.628 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCN2CCCCC2=O)cc1C ZINC001492344752 1065458859 /nfs/dbraw/zinc/45/88/59/1065458859.db2.gz PXQNZMQXDGRSMV-SFTDATJTSA-N 0 0 455.603 3.490 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001492345106 1065459682 /nfs/dbraw/zinc/45/96/82/1065459682.db2.gz AMQSHYUHDLRWSV-CJAUYULYSA-N 0 0 486.617 3.028 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC2(CS(C)(=O)=O)CC2)cc1 ZINC001492344822 1065459697 /nfs/dbraw/zinc/45/96/97/1065459697.db2.gz RNVXDUNJDUORSA-HDICACEKSA-N 0 0 464.657 3.321 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492345400 1065460437 /nfs/dbraw/zinc/46/04/37/1065460437.db2.gz VODVQIOSTVILRB-RXFWQSSRSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)N4CCCC4)CC3)n2CC(C)(C)O)cc1C ZINC001492346295 1065461127 /nfs/dbraw/zinc/46/11/27/1065461127.db2.gz GQNLAKVAHXHIGH-UHFFFAOYSA-N 0 0 455.603 3.084 20 0 JGADRN Cc1csc([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)n1 ZINC001492346992 1065461706 /nfs/dbraw/zinc/46/17/06/1065461706.db2.gz OLXUJIIKIMDUNZ-MWTRTKDXSA-N 0 0 454.600 3.436 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@@H]2COCCO2)cc1 ZINC001492347166 1065462657 /nfs/dbraw/zinc/46/26/57/1065462657.db2.gz RJRNNIVGEVQIBZ-DENIHFKCSA-N 0 0 484.519 3.111 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC(=O)N2CCOCC2)cc1C ZINC001492347579 1065463395 /nfs/dbraw/zinc/46/33/95/1065463395.db2.gz WGJATQRVQRSXED-HXUWFJFHSA-N 0 0 455.603 3.205 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2CCCCCO)cc1C ZINC001492393882 1065465972 /nfs/dbraw/zinc/46/59/72/1065465972.db2.gz NCLMYLKEUHIQCM-VWLOTQADSA-N 0 0 468.602 3.122 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@]2(O)CCSC2)cc1C ZINC001492395065 1065466852 /nfs/dbraw/zinc/46/68/52/1065466852.db2.gz QVHSSYVHHLBHNQ-PXNSSMCTSA-N 0 0 472.533 3.109 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@]2(O)CCSC2)cc1C ZINC001492395056 1065466890 /nfs/dbraw/zinc/46/68/90/1065466890.db2.gz QVHSSYVHHLBHNQ-FXAWDEMLSA-N 0 0 472.533 3.109 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCCC(=O)NC2CC2)cc1C ZINC001492395866 1065467721 /nfs/dbraw/zinc/46/77/21/1065467721.db2.gz WGVXEJSKTZIOCH-QFIPXVFZSA-N 0 0 455.603 3.394 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCN2CCOCC2(C)C)cc1C ZINC001492396085 1065467835 /nfs/dbraw/zinc/46/78/35/1065467835.db2.gz XQYUGPPMWBQTEU-HSZRJFAPSA-N 0 0 471.646 3.446 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001492399946 1065469305 /nfs/dbraw/zinc/46/93/05/1065469305.db2.gz FGGLLTXPKCAZGV-RTWAWAEBSA-N 0 0 487.601 3.074 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CCc2cccnc2)cc1 ZINC001492400376 1065469331 /nfs/dbraw/zinc/46/93/31/1065469331.db2.gz IAMZWHFMVWTKDL-QHCPKHFHSA-N 0 0 451.571 3.433 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC001492401126 1065470000 /nfs/dbraw/zinc/47/00/00/1065470000.db2.gz MMGJPVDZQLXCJR-UHFFFAOYSA-N 0 0 485.610 3.021 20 0 JGADRN Cc1ccc(OCCCCn2c([C@H]3CCCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC001492411811 1065476183 /nfs/dbraw/zinc/47/61/83/1065476183.db2.gz JJRYPCOMIVQOJL-JOCHJYFZSA-N 0 0 491.658 3.159 20 0 JGADRN Cc1ccc(OCCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCOCC2)cc1 ZINC001492412414 1065476198 /nfs/dbraw/zinc/47/61/98/1065476198.db2.gz ORRZHOIPTCATHN-OAQYLSRUSA-N 0 0 476.643 3.211 20 0 JGADRN Cc1ccc(OCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C(C)C)C2)cc1 ZINC001492412665 1065477270 /nfs/dbraw/zinc/47/72/70/1065477270.db2.gz WGCPLWGCNSNTIE-UYAOXDASSA-N 0 0 481.688 3.244 20 0 JGADRN Cc1ccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001492417978 1065477845 /nfs/dbraw/zinc/47/78/45/1065477845.db2.gz YCBHLJCODPBWQN-TZIWHRDSSA-N 0 0 498.628 3.452 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccco2)N(C)C)cc1 ZINC001492418165 1065478900 /nfs/dbraw/zinc/47/89/00/1065478900.db2.gz DXWRCWHYFKNDKJ-NRFANRHFSA-N 0 0 466.586 3.234 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCO[C@@H]2C)cc1 ZINC001492418793 1065479410 /nfs/dbraw/zinc/47/94/10/1065479410.db2.gz MECKHXFLBROREO-UZUQRXQVSA-N 0 0 457.962 3.357 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCO[C@H]2C)cc1 ZINC001492418790 1065479418 /nfs/dbraw/zinc/47/94/18/1065479418.db2.gz MECKHXFLBROREO-GAJHUEQPSA-N 0 0 457.962 3.357 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001492419241 1065480392 /nfs/dbraw/zinc/48/03/92/1065480392.db2.gz SXHKFKXQCADPAE-JOCHJYFZSA-N 0 0 487.402 3.338 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@@H](F)C2)cc1 ZINC001492420358 1065481016 /nfs/dbraw/zinc/48/10/16/1065481016.db2.gz DWGINMKFLIHLLT-GUDVDZBRSA-N 0 0 450.580 3.142 20 0 JGADRN Cc1ccc(OCCn2c(CC(C)(C)C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC001492427478 1065486254 /nfs/dbraw/zinc/48/62/54/1065486254.db2.gz RHQCSRYOWWXHRR-UHFFFAOYSA-N 0 0 463.648 3.114 20 0 JGADRN Cc1ccc(OCCn2c(CN3CCCC3=O)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC001492429113 1065486837 /nfs/dbraw/zinc/48/68/37/1065486837.db2.gz FTQIIXWTKAXBEB-OAQYLSRUSA-N 0 0 496.656 3.165 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCOC3)n2Cc2cccs2)cc1 ZINC001492430360 1065488189 /nfs/dbraw/zinc/48/81/89/1065488189.db2.gz NNAWCRXFKCCCGL-SFHVURJKSA-N 0 0 475.640 3.005 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H](C)CC(N)=O)cc1 ZINC001492432279 1065489628 /nfs/dbraw/zinc/48/96/28/1065489628.db2.gz ZCULVOKUPLEQSN-GBESFXJTSA-N 0 0 486.617 3.136 20 0 JGADRN Cc1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001492432337 1065489774 /nfs/dbraw/zinc/48/97/74/1065489774.db2.gz ZNOCHSOICLSYPL-UHFFFAOYSA-N 0 0 484.626 3.074 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(N3CCS[C@@H](C)[C@@H]3C)nnc2C(C)(C)C)s1 ZINC001492436077 1065490614 /nfs/dbraw/zinc/49/06/14/1065490614.db2.gz DFJUHACCNAKCNW-GJZGRUSLSA-N 0 0 457.691 3.254 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCO3)nnc2N2CCCC[C@H](C)C2)s1 ZINC001492436329 1065491045 /nfs/dbraw/zinc/49/10/45/1065491045.db2.gz HHUPZWPZJHICOL-DOTOQJQBSA-N 0 0 453.634 3.104 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(N3CCOC[C@@H](C4CCC4)C3)nnc2C(C)(C)C)s1 ZINC001492436531 1065491157 /nfs/dbraw/zinc/49/11/57/1065491157.db2.gz JWSFLOGKTPCUEQ-SFHVURJKSA-N 0 0 481.688 3.177 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(N3CCOC[C@H](C4CCC4)C3)nnc2C(C)(C)C)s1 ZINC001492436530 1065491213 /nfs/dbraw/zinc/49/12/13/1065491213.db2.gz JWSFLOGKTPCUEQ-GOSISDBHSA-N 0 0 481.688 3.177 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H]2C)s1 ZINC001492437196 1065492752 /nfs/dbraw/zinc/49/27/52/1065492752.db2.gz TYKWBRUMNVVENU-OAHLLOKOSA-N 0 0 463.604 3.345 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)s1 ZINC001492437412 1065493496 /nfs/dbraw/zinc/49/34/96/1065493496.db2.gz XLBMXODEYTUQFL-OAHLLOKOSA-N 0 0 496.058 3.096 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nnc2N2CCOC(C)(C)[C@@H]2C)s1 ZINC001492438024 1065494965 /nfs/dbraw/zinc/49/49/65/1065494965.db2.gz GSRXFHKAMVAYCZ-KRWDZBQOSA-N 0 0 475.640 3.297 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N(C)CCNS(=O)(=O)c3ccc(C)cc3)n2C[C@@H]2CC[C@H](C)C2)n1 ZINC001492440234 1065496641 /nfs/dbraw/zinc/49/66/41/1065496641.db2.gz QCDUTCCSRAVWDD-SIKLNZKXSA-N 0 0 499.685 3.299 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)C)n2C[C@H]2CC[C@@H](F)C2)cc1 ZINC001492440205 1065496713 /nfs/dbraw/zinc/49/67/13/1065496713.db2.gz PPLBFYOJOYAIHX-RBUKOAKNSA-N 0 0 451.612 3.338 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nnc2N(C)C[C@H]2CCCCO2)s1 ZINC001492440090 1065496759 /nfs/dbraw/zinc/49/67/59/1065496759.db2.gz OHUOJUREIQUAFD-LJQANCHMSA-N 0 0 475.640 3.299 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)[C@@H](F)C2)s1 ZINC001492441543 1065497655 /nfs/dbraw/zinc/49/76/55/1065497655.db2.gz RREIDPJPHCDGAV-DOMZBBRYSA-N 0 0 485.010 3.136 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)C)n2C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001492443145 1065499050 /nfs/dbraw/zinc/49/90/50/1065499050.db2.gz YJIDKEHHYDXHAR-VQTJNVASSA-N 0 0 463.648 3.015 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CC=CCO2)cc1 ZINC001492442598 1065499058 /nfs/dbraw/zinc/49/90/58/1065499058.db2.gz XHEJMZRGLSHWPL-NRFANRHFSA-N 0 0 473.643 3.079 20 0 JGADRN 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COCCO[C@H](C)c1nnc(N2CCN(c3cc(C)ccc3C)CC2)n1CCc1nnc(C)s1 ZINC001302082772 1066503322 /nfs/dbraw/zinc/50/33/22/1066503322.db2.gz RILZUEZJMCCUJA-LJQANCHMSA-N 0 0 485.658 3.348 20 0 JGADRN CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC001301639621 1066503547 /nfs/dbraw/zinc/50/35/47/1066503547.db2.gz DKFDDLANGSSXAY-HXUWFJFHSA-N 0 0 462.598 3.487 20 0 JGADRN CC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001301639489 1066503580 /nfs/dbraw/zinc/50/35/80/1066503580.db2.gz CRYPXTLGUNNEKA-UHFFFAOYSA-N 0 0 488.514 3.500 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001302082989 1066503607 /nfs/dbraw/zinc/50/36/07/1066503607.db2.gz SQMNIOKFBLMLQJ-CVEARBPZSA-N 0 0 487.498 3.031 20 0 JGADRN COCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001301640973 1066504874 /nfs/dbraw/zinc/50/48/74/1066504874.db2.gz JQWFMAHMGDWVRP-RLLQIKCJSA-N 0 0 463.623 3.433 20 0 JGADRN 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ZINC001301641072 1066505222 /nfs/dbraw/zinc/50/52/22/1066505222.db2.gz BTUABAIUPYFMQT-WMZOPIPTSA-N 0 0 470.540 3.141 20 0 JGADRN CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001301641071 1066505227 /nfs/dbraw/zinc/50/52/27/1066505227.db2.gz BTUABAIUPYFMQT-SJLPKXTDSA-N 0 0 470.540 3.141 20 0 JGADRN CC(=O)N(C)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001301640992 1066505235 /nfs/dbraw/zinc/50/52/35/1066505235.db2.gz AHXXGPUGOVRVEN-UHFFFAOYSA-N 0 0 479.629 3.422 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1Cc1sccc1C ZINC001302083638 1066505401 /nfs/dbraw/zinc/50/54/01/1066505401.db2.gz HUZZHMINLWEINC-QGZVFWFLSA-N 0 0 478.688 3.424 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C)CC2)n1C[C@H](SC)C(C)(C)C ZINC001302083700 1066505421 /nfs/dbraw/zinc/50/54/21/1066505421.db2.gz IRUYJXWUORPGRV-OALUTQOASA-N 0 0 477.679 3.205 20 0 JGADRN CC(=O)N(C)C1CCN(c2nnc(CCOc3ccccc3)n2CCOc2ncccc2Cl)CC1 ZINC001301641377 1066505604 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NWDSKLMYMUVRTC-UHFFFAOYSA-N 0 0 450.562 3.483 20 0 JGADRN CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001301641498 1066506001 /nfs/dbraw/zinc/50/60/01/1066506001.db2.gz MJCANFOMVVVFMD-QFIPXVFZSA-N 0 0 459.641 3.347 20 0 JGADRN CC(=O)N(C)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC[C@H]2CCCCO2)CC1 ZINC001301641533 1066506067 /nfs/dbraw/zinc/50/60/67/1066506067.db2.gz NKMZUNCYVXNOCD-OAQYLSRUSA-N 0 0 460.648 3.430 20 0 JGADRN COCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001301641937 1066506440 /nfs/dbraw/zinc/50/64/40/1066506440.db2.gz RAOMZZXKYIEPLA-HOTGVXAUSA-N 0 0 477.528 3.197 20 0 JGADRN CC(C)(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCSCCCO ZINC001302083815 1066506461 /nfs/dbraw/zinc/50/64/61/1066506461.db2.gz NMGOQMFGTUDJMS-UHFFFAOYSA-N 0 0 451.681 3.310 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC1(SC)CC1 ZINC001302083934 1066506472 /nfs/dbraw/zinc/50/64/72/1066506472.db2.gz XFDJOZPSSBCLJI-INIZCTEOSA-N 0 0 467.039 3.273 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCc1sc(C)nc1C ZINC001302083887 1066506563 /nfs/dbraw/zinc/50/65/63/1066506563.db2.gz WKCYCATYFHQTNS-SFHVURJKSA-N 0 0 486.642 3.350 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C(C)=O)cc3F)CC2)n1Cc1ccoc1 ZINC001302083913 1066506575 /nfs/dbraw/zinc/50/65/75/1066506575.db2.gz WTMGONHOASWGIV-SFHVURJKSA-N 0 0 471.533 3.312 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1Cc1nnc(C)s1 ZINC001302084173 1066506944 /nfs/dbraw/zinc/50/69/44/1066506944.db2.gz KGPOOMJUTUIDCE-HZPDHXFCSA-N 0 0 475.594 3.065 20 0 JGADRN COCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(F)(F)F)CC1 ZINC001301642506 1066506928 /nfs/dbraw/zinc/50/69/28/1066506928.db2.gz KHONWCBEFZSPNV-INIZCTEOSA-N 0 0 477.528 3.402 20 0 JGADRN CC(=O)N(C)C1CCN(c2nnc(CCc3ccccc3)n2CCCNc2ccccn2)CC1 ZINC001301642233 1066507064 /nfs/dbraw/zinc/50/70/64/1066507064.db2.gz YHQGKCVBIHUGJA-UHFFFAOYSA-N 0 0 461.614 3.408 20 0 JGADRN CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cccnc2)CC1 ZINC001301643182 1066507429 /nfs/dbraw/zinc/50/74/29/1066507429.db2.gz BMIGZFAJYZGVEL-FGZHOGPDSA-N 0 0 454.619 3.282 20 0 JGADRN CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001301643204 1066507575 /nfs/dbraw/zinc/50/75/75/1066507575.db2.gz BYPLEDGYRANBBC-TZIWHRDSSA-N 0 0 486.665 3.039 20 0 JGADRN CC(C)(C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CCCOC[C@@H]1CCOC1 ZINC001302084483 1066507986 /nfs/dbraw/zinc/50/79/86/1066507986.db2.gz SFVJXKAVLIFXQG-IBGZPJMESA-N 0 0 460.598 3.270 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001302084567 1066508019 /nfs/dbraw/zinc/50/80/19/1066508019.db2.gz MRBHQZUYQYLTLS-CLOONOSVSA-N 0 0 490.624 3.194 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H]1CCOC1 ZINC001302084593 1066508374 /nfs/dbraw/zinc/50/83/74/1066508374.db2.gz MWTRVQHVSBKUTI-HZPDHXFCSA-N 0 0 485.416 3.067 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3F)CC2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001302084630 1066508501 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VPWDDWJOJAGTCW-QGZVFWFLSA-N 0 0 489.621 3.179 20 0 JGADRN COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3F)CC2)n1Cc1ccc(F)cc1 ZINC001302086131 1066510383 /nfs/dbraw/zinc/51/03/83/1066510383.db2.gz XZTNEJQUMCJUND-KRWDZBQOSA-N 0 0 458.513 3.050 20 0 JGADRN COCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301646494 1066510489 /nfs/dbraw/zinc/51/04/89/1066510489.db2.gz RWOFKMHWGNQBBD-QGZVFWFLSA-N 0 0 450.609 3.116 20 0 JGADRN COCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001301646225 1066510533 /nfs/dbraw/zinc/51/05/33/1066510533.db2.gz MHOAFHIERULBJB-FQEVSTJZSA-N 0 0 459.497 3.480 20 0 JGADRN CC(C)(C)c1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@H]1CSCCS1 ZINC001302086645 1066510835 /nfs/dbraw/zinc/51/08/35/1066510835.db2.gz AWBYBXCGMTUVJG-IBGZPJMESA-N 0 0 493.674 3.291 20 0 JGADRN CC(C)(C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCOc1ccccc1Cl ZINC001302087069 1066511685 /nfs/dbraw/zinc/51/16/85/1066511685.db2.gz BTKWDSRIKXKCQW-UHFFFAOYSA-N 0 0 484.004 3.129 20 0 JGADRN 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ZINC001304078907 1067123737 /nfs/dbraw/zinc/12/37/37/1067123737.db2.gz MFMBTMQELFVEKY-UQBPGWFLSA-N 0 0 468.602 3.099 20 0 JGADRN CSC(C)(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001302512245 1067124143 /nfs/dbraw/zinc/12/41/43/1067124143.db2.gz GQEDWRUWZGMBFH-UHFFFAOYSA-N 0 0 488.683 3.415 20 0 JGADRN Cc1occc1CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC(C)C ZINC001304079655 1067124212 /nfs/dbraw/zinc/12/42/12/1067124212.db2.gz PFRISDLBIFRKDX-UHFFFAOYSA-N 0 0 483.598 3.201 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)cnn1C ZINC001304080010 1067125160 /nfs/dbraw/zinc/12/51/60/1067125160.db2.gz WKFIFBGDRDVAEX-MRXNPFEDSA-N 0 0 463.007 3.102 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl ZINC001304080228 1067125698 /nfs/dbraw/zinc/12/56/98/1067125698.db2.gz FWIGVHRBPADQSG-ZDUSSCGKSA-N 0 0 469.970 3.461 20 0 JGADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(C)COCCO2)CC1 ZINC001302512864 1067126048 /nfs/dbraw/zinc/12/60/48/1067126048.db2.gz ZIIVPJHSYIOUNU-CLOONOSVSA-N 0 0 461.651 3.193 20 0 JGADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(O)cc2)CC1 ZINC001302512890 1067126169 /nfs/dbraw/zinc/12/61/69/1067126169.db2.gz ZPKKGVMXWSRKHA-GHTZIAJQSA-N 0 0 455.603 3.303 20 0 JGADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(C)COCCO2)CC1 ZINC001302512867 1067126178 /nfs/dbraw/zinc/12/61/78/1067126178.db2.gz ZIIVPJHSYIOUNU-UQBPGWFLSA-N 0 0 461.651 3.193 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc21 ZINC001304081171 1067126995 /nfs/dbraw/zinc/12/69/95/1067126995.db2.gz IAIXGTNHQLZSFB-HNNXBMFYSA-N 0 0 456.572 3.150 20 0 JGADRN CCC1(Cn2cc(C(=O)NCc3ccc(Br)c(Br)c3)nn2)COC1 ZINC001304081412 1067127098 /nfs/dbraw/zinc/12/70/98/1067127098.db2.gz VYNNOTJBKZGCRN-UHFFFAOYSA-N 0 0 458.154 3.160 20 0 JGADRN CSC(C)(C)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001302513223 1067127364 /nfs/dbraw/zinc/12/73/64/1067127364.db2.gz MGEQJBWLDSBKAO-MOPGFXCFSA-N 0 0 450.697 3.360 20 0 JGADRN CSC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2nccs2)CC1 ZINC001302513288 1067127411 /nfs/dbraw/zinc/12/74/11/1067127411.db2.gz NYJGTOZVJRVABD-UHFFFAOYSA-N 0 0 472.644 3.240 20 0 JGADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(C)CN(C)C2=O)cnn1C ZINC001304081629 1067127503 /nfs/dbraw/zinc/12/75/03/1067127503.db2.gz KQTQPRMDPQLEBE-HJPURHCSSA-N 0 0 471.993 3.228 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001304081923 1067128091 /nfs/dbraw/zinc/12/80/91/1067128091.db2.gz PUDNZQRWESFMEW-OAHLLOKOSA-N 0 0 489.598 3.133 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 ZINC001304081867 1067128267 /nfs/dbraw/zinc/12/82/67/1067128267.db2.gz ODAVPXYGHIIBMZ-AWEZNQCLSA-N 0 0 480.660 3.423 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001304082177 1067128694 /nfs/dbraw/zinc/12/86/94/1067128694.db2.gz WPLRRAMTOQWKMM-KRWDZBQOSA-N 0 0 492.573 3.035 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccs1 ZINC001304082255 1067128727 /nfs/dbraw/zinc/12/87/27/1067128727.db2.gz YRADUZUVEFCQGD-CQSZACIVSA-N 0 0 468.674 3.329 20 0 JGADRN CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCCCCC1)N1CCOCC1 ZINC001302514079 1067129388 /nfs/dbraw/zinc/12/93/88/1067129388.db2.gz NKBSLDKRVONCSF-HXUWFJFHSA-N 0 0 455.607 3.053 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCCO2)cnn1C ZINC001304082730 1067129418 /nfs/dbraw/zinc/12/94/18/1067129418.db2.gz QARSSAHZCUXRTO-IBGZPJMESA-N 0 0 459.982 3.258 20 0 JGADRN CSC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 ZINC001302514194 1067130132 /nfs/dbraw/zinc/13/01/32/1067130132.db2.gz WOEHQFXYRCATTH-HSZRJFAPSA-N 0 0 470.574 3.304 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)OC(C)(C)C)cnn1C ZINC001304085768 1067130851 /nfs/dbraw/zinc/13/08/51/1067130851.db2.gz DRFRCIRFQIGRMQ-UHFFFAOYSA-N 0 0 491.600 3.334 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cscc2C(F)(F)F)cnn1C ZINC001304086510 1067131536 /nfs/dbraw/zinc/13/15/36/1067131536.db2.gz JXDSVEMQBQCMFU-UHFFFAOYSA-N 0 0 450.494 3.486 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(F)F)cnn1C ZINC001304087852 1067132114 /nfs/dbraw/zinc/13/21/14/1067132114.db2.gz XFFIOQGMAQRPND-UHFFFAOYSA-N 0 0 456.501 3.091 20 0 JGADRN Cc1occc1CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C(C)C ZINC001304088437 1067132138 /nfs/dbraw/zinc/13/21/38/1067132138.db2.gz TZAAAMCPSSKQQL-JOCHJYFZSA-N 0 0 460.604 3.183 20 0 JGADRN Cc1c(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC(F)(F)F)c2)cnn1C ZINC001304087423 1067132142 /nfs/dbraw/zinc/13/21/42/1067132142.db2.gz RZYUDTULEYNSPH-UHFFFAOYSA-N 0 0 474.491 3.346 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001304088649 1067132748 /nfs/dbraw/zinc/13/27/48/1067132748.db2.gz XMOYQQBRYYXIFW-HRAATJIYSA-N 0 0 460.991 3.192 20 0 JGADRN CC(C)[C@H](Cn1c(C2CCC2)nnc1N1CCO[C@H](Cn2cccn2)C1)NC(=O)OC(C)(C)C ZINC001302515421 1067133379 /nfs/dbraw/zinc/13/33/79/1067133379.db2.gz JXBOYTCRRMLGAJ-PMACEKPBSA-N 0 0 473.622 3.197 20 0 JGADRN Cc1c(CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cc(COC(C)(C)C)on2)cnn1C ZINC001304089329 1067133448 /nfs/dbraw/zinc/13/34/48/1067133448.db2.gz VQRXBWBVNANSCB-QGZVFWFLSA-N 0 0 457.579 3.202 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC1 ZINC001304091173 1067133761 /nfs/dbraw/zinc/13/37/61/1067133761.db2.gz AOQZSEIYUMCYKZ-UHFFFAOYSA-N 0 0 462.620 3.319 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001304091138 1067133775 /nfs/dbraw/zinc/13/37/75/1067133775.db2.gz ADFXJRRGAGQDNA-JQHSSLGASA-N 0 0 467.661 3.177 20 0 JGADRN CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccccc21)NC(=O)OC(C)(C)C ZINC001302515718 1067134636 /nfs/dbraw/zinc/13/46/36/1067134636.db2.gz MYCUIBCJPCRHLR-ROUUACIJSA-N 0 0 454.575 3.473 20 0 JGADRN CSC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCN1CCOCC1 ZINC001302516121 1067135092 /nfs/dbraw/zinc/13/50/92/1067135092.db2.gz NGUZMBVVADXCDO-UHFFFAOYSA-N 0 0 455.632 3.245 20 0 JGADRN CC(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC=C(Br)C1)NC(=O)OC(C)(C)C ZINC001302516184 1067135210 /nfs/dbraw/zinc/13/52/10/1067135210.db2.gz RFRCNAXLPOUJKY-HZPDHXFCSA-N 0 0 497.438 3.267 20 0 JGADRN Cc1occc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001304092617 1067136271 /nfs/dbraw/zinc/13/62/71/1067136271.db2.gz OOIAGBODSXLBHE-PZJWPPBQSA-N 0 0 475.590 3.160 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCc1ccco1 ZINC001304092740 1067136361 /nfs/dbraw/zinc/13/63/61/1067136361.db2.gz BFUWYMAIBBFIIG-UHFFFAOYSA-N 0 0 454.531 3.319 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccnc1)C(C)C ZINC001304092831 1067136385 /nfs/dbraw/zinc/13/63/85/1067136385.db2.gz RNXPOWGOHQXFSZ-MOPGFXCFSA-N 0 0 474.656 3.416 20 0 JGADRN CC(C)[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001302517224 1067136933 /nfs/dbraw/zinc/13/69/33/1067136933.db2.gz ZPQDOAUCGVQXLN-KRWDZBQOSA-N 0 0 491.662 3.388 20 0 JGADRN CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001302517702 1067136955 /nfs/dbraw/zinc/13/69/55/1067136955.db2.gz AYSJXUCJIRROPD-LVXARBLLSA-N 0 0 499.660 3.190 20 0 JGADRN Cc1ncsc1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 ZINC001304093033 1067136951 /nfs/dbraw/zinc/13/69/51/1067136951.db2.gz UPVCEYXIRLNXRS-GOSISDBHSA-N 0 0 492.646 3.414 20 0 JGADRN Cc1c(CN(C)c2nnc(CC(C)C)n2Cc2ccnc(OC3CCOCC3)c2)cnn1C ZINC001304093295 1067137036 /nfs/dbraw/zinc/13/70/36/1067137036.db2.gz LISDREKDZURSGS-UHFFFAOYSA-N 0 0 453.591 3.156 20 0 JGADRN CC(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)NC(=O)OC(C)(C)C ZINC001302518272 1067137466 /nfs/dbraw/zinc/13/74/66/1067137466.db2.gz FGHSWOZUYPCLIB-QFBILLFUSA-N 0 0 474.581 3.335 20 0 JGADRN Cc1c(CN(C)c2nnc(Cc3ccsc3)n2CCNC(=O)c2cccs2)cnn1C ZINC001304095824 1067137458 /nfs/dbraw/zinc/13/74/58/1067137458.db2.gz WYSQJVKHGIGLAU-UHFFFAOYSA-N 0 0 455.613 3.100 20 0 JGADRN CSC(C)(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001302517858 1067137538 /nfs/dbraw/zinc/13/75/38/1067137538.db2.gz ATGGOOPVSQSMRD-ZDUSSCGKSA-N 0 0 473.462 3.473 20 0 JGADRN Cc1occc1CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC(C)C ZINC001304094275 1067137593 /nfs/dbraw/zinc/13/75/93/1067137593.db2.gz FMTVIBPFHZFDJD-UHFFFAOYSA-N 0 0 470.599 3.216 20 0 JGADRN CC(C)(C)OC(=O)[C@]1(C(=O)N2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)CCCO1 ZINC001302518369 1067137787 /nfs/dbraw/zinc/13/77/87/1067137787.db2.gz YZKZDECCZUISPC-HSZRJFAPSA-N 0 0 452.617 3.228 20 0 JGADRN Cc1c(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cnn1C ZINC001304097433 1067138773 /nfs/dbraw/zinc/13/87/73/1067138773.db2.gz QGNHAMMTRXBGGT-PGRDOPGGSA-N 0 0 485.658 3.399 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(C)n(C)c1=O ZINC001304097816 1067139480 /nfs/dbraw/zinc/13/94/80/1067139480.db2.gz YJFDOWBDCLKGRM-UHFFFAOYSA-N 0 0 464.595 3.356 20 0 JGADRN Cc1ncsc1CN(C)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccccc1Cl 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Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 ZINC001304350920 1067392609 /nfs/dbraw/zinc/39/26/09/1067392609.db2.gz VABWZLWBTUUJQQ-SJORKVTESA-N 0 0 454.962 3.490 20 0 JGADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1cc(=O)c3ccccc3[nH]1)C2=O ZINC001302805306 1067393032 /nfs/dbraw/zinc/39/30/32/1067393032.db2.gz APJYIWQLRWEDLK-UHFFFAOYSA-N 0 0 452.555 3.061 20 0 JGADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001304352440 1067393232 /nfs/dbraw/zinc/39/32/32/1067393232.db2.gz JJGUCUWBXPYXLI-MRXNPFEDSA-N 0 0 458.588 3.421 20 0 JGADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)o2)c(=O)n1C ZINC001304352442 1067393363 /nfs/dbraw/zinc/39/33/63/1067393363.db2.gz JRQBLYNAUWUELL-UHFFFAOYSA-N 0 0 457.332 3.321 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001302805860 1067393444 /nfs/dbraw/zinc/39/34/44/1067393444.db2.gz JRJASNHFVCEHHL-MDZRGWNJSA-N 0 0 453.538 3.074 20 0 JGADRN 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CC(C)[C@H]1OCCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(C)(=O)=O)c1 ZINC001302806811 1067394423 /nfs/dbraw/zinc/39/44/23/1067394423.db2.gz NBPKBQQLYUXHLL-FXAWDEMLSA-N 0 0 458.588 3.277 20 0 JGADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cn1 ZINC001304355047 1067394911 /nfs/dbraw/zinc/39/49/11/1067394911.db2.gz TYXPTJRLUOQYLR-CYBMUJFWSA-N 0 0 451.478 3.093 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1 ZINC001302807583 1067394914 /nfs/dbraw/zinc/39/49/14/1067394914.db2.gz RPXGTTLLPUUIAL-ZJOUEHCJSA-N 0 0 464.607 3.407 20 0 JGADRN Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccc(Cl)cc2)c(=O)n1C ZINC001304355360 1067395091 /nfs/dbraw/zinc/39/50/91/1067395091.db2.gz BEFKMZWNARPDOQ-GOSISDBHSA-N 0 0 457.962 3.006 20 0 JGADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001302807742 1067395271 /nfs/dbraw/zinc/39/52/71/1067395271.db2.gz SGFIUVLWFFRIPY-ONTIZHBOSA-N 0 0 452.665 3.475 20 0 JGADRN 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AEFIKWRZRGZSNK-UHFFFAOYSA-N 0 0 494.669 3.300 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCC[C@H]2CCCCO2)cc1 ZINC001304436291 1067514945 /nfs/dbraw/zinc/51/49/45/1067514945.db2.gz BVXSQBWAJJIYHW-HXUWFJFHSA-N 0 0 493.699 3.310 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2C[C@@H]2CCCSC2)cc1 ZINC001304436531 1067514967 /nfs/dbraw/zinc/51/49/67/1067514967.db2.gz DJQODBPDJUGYDP-FQEVSTJZSA-N 0 0 488.727 3.232 20 0 JGADRN FC(F)(F)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001302940862 1067515084 /nfs/dbraw/zinc/51/50/84/1067515084.db2.gz CWUUTJDQFHKCFH-HNNXBMFYSA-N 0 0 474.915 3.079 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC2(C(N)=O)CCOCC2)cc1 ZINC001304436772 1067515180 /nfs/dbraw/zinc/51/51/80/1067515180.db2.gz BJUDWZCFDSGYFZ-FQEVSTJZSA-N 0 0 487.670 3.412 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](C(=O)NCC4CC4)C3)n2CC(C)(C)O)cc1 ZINC001304436946 1067515553 /nfs/dbraw/zinc/51/55/53/1067515553.db2.gz DNRBDSUVMWYJIF-IBGZPJMESA-N 0 0 457.644 3.392 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001304437028 1067515916 /nfs/dbraw/zinc/51/59/16/1067515916.db2.gz FYKFSEMCPYSBMB-RBUKOAKNSA-N 0 0 464.657 3.317 20 0 JGADRN Cc1ccc(SCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C3CCOCC3)C2)cc1 ZINC001304437202 1067516280 /nfs/dbraw/zinc/51/62/80/1067516280.db2.gz AKNODSQOEDSPEO-AZUAARDMSA-N 0 0 493.699 3.242 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001304437427 1067516534 /nfs/dbraw/zinc/51/65/34/1067516534.db2.gz HAIYLKDGLQQSOE-UQBPGWFLSA-N 0 0 484.670 3.098 20 0 JGADRN FC(F)C(F)(F)CN1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ncccc2Cl)CC1 ZINC001302944217 1067517048 /nfs/dbraw/zinc/51/70/48/1067517048.db2.gz DCBMATXLBWQECX-OAHLLOKOSA-N 0 0 492.905 3.279 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H]3C(C)C)n2CCS(=O)(=O)N(C)C)cc1 ZINC001304437702 1067517225 /nfs/dbraw/zinc/51/72/25/1067517225.db2.gz GNNJBBQVXXZFNZ-LJQANCHMSA-N 0 0 451.662 3.395 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001302944701 1067517315 /nfs/dbraw/zinc/51/73/15/1067517315.db2.gz UMZYSIQZORRKMW-NBGIEHNGSA-N 0 0 487.620 3.404 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001302944491 1067517378 /nfs/dbraw/zinc/51/73/78/1067517378.db2.gz RIQYISSIAJLEBA-UHFFFAOYSA-N 0 0 477.654 3.118 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCNS(C)(=O)=O)cc1 ZINC001304437904 1067517583 /nfs/dbraw/zinc/51/75/83/1067517583.db2.gz LBEDYRNDTJFBGL-OAHLLOKOSA-N 0 0 477.578 3.207 20 0 JGADRN Cc1ccc(SCCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C(N)=O)C2)cc1 ZINC001304438400 1067517825 /nfs/dbraw/zinc/51/78/25/1067517825.db2.gz KMKSYHJWLYSZLW-HNNXBMFYSA-N 0 0 489.443 3.458 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@]2(O)CCOC2)cc1 ZINC001304438091 1067517845 /nfs/dbraw/zinc/51/78/45/1067517845.db2.gz JVKLZLYXFWRJQQ-LAUBAEHRSA-N 0 0 485.576 3.103 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@]2(O)CCOC2)cc1 ZINC001304438321 1067517952 /nfs/dbraw/zinc/51/79/52/1067517952.db2.gz JVKLZLYXFWRJQQ-UWJYYQICSA-N 0 0 485.576 3.103 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001304438184 1067518034 /nfs/dbraw/zinc/51/80/34/1067518034.db2.gz WIOYYOHLINQMPK-NRFANRHFSA-N 0 0 491.727 3.482 20 0 JGADRN FC(F)C(F)(F)COCCn1c(-c2cccnc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001302945329 1067518406 /nfs/dbraw/zinc/51/84/06/1067518406.db2.gz PASXSNWLQTZNSN-MRXNPFEDSA-N 0 0 466.439 3.310 20 0 JGADRN FC(F)C(F)(F)CN1CCN(c2nnc([C@H]3CCOC3)n2CCCC2CCOCC2)CC1 ZINC001302945393 1067518434 /nfs/dbraw/zinc/51/84/34/1067518434.db2.gz QUNXHYPTFDXVQT-KRWDZBQOSA-N 0 0 463.520 3.011 20 0 JGADRN Cc1cc(CN2CCN(c3nnc(CSc4ccc(C)cc4)n3CC(=O)NC(C)C)CC2)on1 ZINC001304438565 1067518667 /nfs/dbraw/zinc/51/86/67/1067518667.db2.gz ZJYDCXGLENZIIG-UHFFFAOYSA-N 0 0 483.642 3.022 20 0 JGADRN 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ZINC001304441299 1067521853 /nfs/dbraw/zinc/52/18/53/1067521853.db2.gz ULZAAJZVBXRCNZ-RUZDIDTESA-N 0 0 487.670 3.379 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001304441033 1067521930 /nfs/dbraw/zinc/52/19/30/1067521930.db2.gz POWYTMVHSLYJDP-TZIWHRDSSA-N 0 0 493.699 3.164 20 0 JGADRN FC(F)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2CCOCC2)CC1 ZINC001302948349 1067521893 /nfs/dbraw/zinc/52/18/93/1067521893.db2.gz PGAAKOPTHHWYMT-UHFFFAOYSA-N 0 0 489.398 3.361 20 0 JGADRN CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCNC(=O)c1ccco1 ZINC001302948334 1067521921 /nfs/dbraw/zinc/52/19/21/1067521921.db2.gz BYRRDQFPZPYFNU-UHFFFAOYSA-N 0 0 458.513 3.104 20 0 JGADRN Cc1ccc(SCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC(=O)N2CCOCC2)cc1 ZINC001304441300 1067522266 /nfs/dbraw/zinc/52/22/66/1067522266.db2.gz ULZAAJZVBXRCNZ-VWLOTQADSA-N 0 0 487.670 3.379 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC(=O)NC(C)(C)C ZINC001302948688 1067522332 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CC(C)Cc1nnc(N2CCN(c3cccnn3)CC2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001302954607 1067526321 /nfs/dbraw/zinc/52/63/21/1067526321.db2.gz HAFSHQQLWAPAKR-QHCPKHFHSA-N 0 0 455.994 3.154 20 0 JGADRN Cc1cccc(C)c1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001304444276 1067526383 /nfs/dbraw/zinc/52/63/83/1067526383.db2.gz DXJHUIBWEVRPCF-XMSQKQJNSA-N 0 0 463.673 3.081 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001304445388 1067526743 /nfs/dbraw/zinc/52/67/43/1067526743.db2.gz CSIRYMSJQAMQEN-UHFFFAOYSA-N 0 0 489.624 3.214 20 0 JGADRN FC(F)Oc1ccccc1CCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001302954785 1067526783 /nfs/dbraw/zinc/52/67/83/1067526783.db2.gz NMFJYHLJIHQZCV-UHFFFAOYSA-N 0 0 483.445 3.264 20 0 JGADRN CC(C)Cc1nnc(N2CCN(C3CC3)C(=O)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001302954684 1067526930 /nfs/dbraw/zinc/52/69/30/1067526930.db2.gz QFDBERSOJKLJPG-UHFFFAOYSA-N 0 0 451.493 3.429 20 0 JGADRN Cc1cccc(C)c1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001304445964 1067527093 /nfs/dbraw/zinc/52/70/93/1067527093.db2.gz ZDXOXWWHLORPSO-MJGOQNOKSA-N 0 0 464.536 3.162 20 0 JGADRN Cc1cccc(C)c1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001304445965 1067527199 /nfs/dbraw/zinc/52/71/99/1067527199.db2.gz ZDXOXWWHLORPSO-PKOBYXMFSA-N 0 0 464.536 3.162 20 0 JGADRN CC(C)Cc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1Cc1cccc(C(C)(F)F)c1 ZINC001302955331 1067527520 /nfs/dbraw/zinc/52/75/20/1067527520.db2.gz NWAMGQDQFYMWJI-UHFFFAOYSA-N 0 0 457.529 3.223 20 0 JGADRN CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CCN1CCOC(C)(C)C1 ZINC001302955333 1067527634 /nfs/dbraw/zinc/52/76/34/1067527634.db2.gz NYZYFHAHJBLLCV-FQEVSTJZSA-N 0 0 458.626 3.442 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C)CC1 ZINC001304447299 1067528255 /nfs/dbraw/zinc/52/82/55/1067528255.db2.gz QNQFUWUNYXKFAL-LPHOPBHVSA-N 0 0 459.616 3.062 20 0 JGADRN Cc1cccc(C)c1OCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001304447377 1067528286 /nfs/dbraw/zinc/52/82/86/1067528286.db2.gz DWKBFBXRQWIQMA-DLBZAZTESA-N 0 0 469.508 3.268 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c(CC2CCCC2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001304447321 1067528347 /nfs/dbraw/zinc/52/83/47/1067528347.db2.gz RCOKZCLNTIEYGP-UHFFFAOYSA-N 0 0 473.643 3.280 20 0 JGADRN FC(F)OCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001302957117 1067528853 /nfs/dbraw/zinc/52/88/53/1067528853.db2.gz LXZZSRZTIZUXLI-ZDUSSCGKSA-N 0 0 478.516 3.349 20 0 JGADRN Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCCCC2)CC1 ZINC001304447678 1067529020 /nfs/dbraw/zinc/52/90/20/1067529020.db2.gz HZIIAMBGZZPQFA-UHFFFAOYSA-N 0 0 495.672 3.374 20 0 JGADRN FC(F)OCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001302957114 1067529014 /nfs/dbraw/zinc/52/90/14/1067529014.db2.gz LXZZSRZTIZUXLI-CYBMUJFWSA-N 0 0 478.516 3.349 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCc1cccc(F)c1 ZINC001302957841 1067529308 /nfs/dbraw/zinc/52/93/08/1067529308.db2.gz VBDKRYVHYBJXNN-FGZHOGPDSA-N 0 0 484.664 3.485 20 0 JGADRN Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001304448087 1067529383 /nfs/dbraw/zinc/52/93/83/1067529383.db2.gz LNLSJTPYIROKKJ-HHHXNRCGSA-N 0 0 494.640 3.454 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001304448012 1067529388 /nfs/dbraw/zinc/52/93/88/1067529388.db2.gz ZLIHRXPSZFQSJH-SFHVURJKSA-N 0 0 467.961 3.170 20 0 JGADRN Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001304447946 1067529395 /nfs/dbraw/zinc/52/93/95/1067529395.db2.gz YYIHSIALSUBLHU-NSISKUIASA-N 0 0 473.643 3.451 20 0 JGADRN Cc1cccc(C)c1OCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001304447983 1067529414 /nfs/dbraw/zinc/52/94/14/1067529414.db2.gz KSBFQHSHSYIMGD-LJQANCHMSA-N 0 0 455.584 3.049 20 0 JGADRN Cc1cccc(C)c1OCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001304448186 1067529570 /nfs/dbraw/zinc/52/95/70/1067529570.db2.gz MLXYUVXRTBLENP-JOCHJYFZSA-N 0 0 487.402 3.433 20 0 JGADRN Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001304448412 1067530011 /nfs/dbraw/zinc/53/00/11/1067530011.db2.gz QECUEXJDGYXMHH-LVXARBLLSA-N 0 0 468.646 3.330 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001302959075 1067530817 /nfs/dbraw/zinc/53/08/17/1067530817.db2.gz NSHGDZIIZZTKDX-VABKMULXSA-N 0 0 474.694 3.205 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001302959223 1067531133 /nfs/dbraw/zinc/53/11/33/1067531133.db2.gz RGRDNQORQOQYTR-UHFFFAOYSA-N 0 0 485.677 3.381 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001302959556 1067531439 /nfs/dbraw/zinc/53/14/39/1067531439.db2.gz WNFGSVDLFVWONC-UHFFFAOYSA-N 0 0 478.563 3.288 20 0 JGADRN Fc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CCOCC(F)F ZINC001302960772 1067532160 /nfs/dbraw/zinc/53/21/60/1067532160.db2.gz MTZXZDYOIVMQDU-OAHLLOKOSA-N 0 0 470.883 3.121 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(C)C)cc2)n1 ZINC001304450826 1067532204 /nfs/dbraw/zinc/53/22/04/1067532204.db2.gz DJQONVKMOYBEHS-FQEVSTJZSA-N 0 0 469.611 3.355 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCS(=O)(=O)c1ccccc1 ZINC001302961030 1067532358 /nfs/dbraw/zinc/53/23/58/1067532358.db2.gz HDYPEJQPHLJIPY-KRWDZBQOSA-N 0 0 473.565 3.023 20 0 JGADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2Cc2cccc3c2OCCCO3)n1 ZINC001304450941 1067532598 /nfs/dbraw/zinc/53/25/98/1067532598.db2.gz XTSCMFUTUMJZRW-ROUUACIJSA-N 0 0 485.610 3.116 20 0 JGADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCn1cc(Br)cn1 ZINC001302961696 1067532610 /nfs/dbraw/zinc/53/26/10/1067532610.db2.gz QEGIAFYCIKJTFD-CQSZACIVSA-N 0 0 478.361 3.209 20 0 JGADRN CC(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1C[C@](C)(O)c1cccs1 ZINC001302961928 1067533164 /nfs/dbraw/zinc/53/31/64/1067533164.db2.gz QHWPMSHACSRUSG-DEOSSOPVSA-N 0 0 471.602 3.434 20 0 JGADRN CC(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CC(C)(C)N1CCOCC1 ZINC001302961980 1067533311 /nfs/dbraw/zinc/53/33/11/1067533311.db2.gz RGTAFKXMSPXBIA-UHFFFAOYSA-N 0 0 458.626 3.049 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CC[C@@H]2COCCO2)n1 ZINC001304452641 1067533746 /nfs/dbraw/zinc/53/37/46/1067533746.db2.gz DNDGSNLCRZRTKZ-HXUWFJFHSA-N 0 0 464.570 3.146 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CCc2cnn(-c3ccccc3)c2)n1 ZINC001304452978 1067533996 /nfs/dbraw/zinc/53/39/96/1067533996.db2.gz JJDPFIFNQQZQHY-UHFFFAOYSA-N 0 0 458.570 3.038 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2cccc(OCC(C)C)c2)n1 ZINC001304453443 1067534855 /nfs/dbraw/zinc/53/48/55/1067534855.db2.gz PULJBVTXBOGNQJ-UHFFFAOYSA-N 0 0 478.597 3.027 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2Cc2ncn(C)n2)n1 ZINC001304454183 1067535475 /nfs/dbraw/zinc/53/54/75/1067535475.db2.gz FYGLZDQEWNTSOG-UHFFFAOYSA-N 0 0 459.377 3.286 20 0 JGADRN Cc1cccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001304455245 1067536268 /nfs/dbraw/zinc/53/62/68/1067536268.db2.gz QLIYDTPUIZOGKB-ICSRJNTNSA-N 0 0 468.627 3.170 20 0 JGADRN Cc1noc(CCCn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)n1 ZINC001304454968 1067536280 /nfs/dbraw/zinc/53/62/80/1067536280.db2.gz ATVIWESMJDGZCB-MGBGTMOVSA-N 0 0 465.583 3.347 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3ccccc3Br)n2C[C@H]2CCC(=O)N2)n1 ZINC001304455094 1067536293 /nfs/dbraw/zinc/53/62/93/1067536293.db2.gz CHOZDOPSMVXRFB-MRXNPFEDSA-N 0 0 455.360 3.326 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2C[C@@]2(C)CCCO2)n1 ZINC001304455691 1067536698 /nfs/dbraw/zinc/53/66/98/1067536698.db2.gz HULXDIFYRYOQQV-HSZRJFAPSA-N 0 0 455.584 3.258 20 0 JGADRN CC(C)Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1Cc1cccc(Cl)c1 ZINC001302966327 1067536738 /nfs/dbraw/zinc/53/67/38/1067536738.db2.gz QYFAYWZOLUDPNV-UHFFFAOYSA-N 0 0 484.066 3.055 20 0 JGADRN Fc1ccc(Cc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@@H]2CCOC2)cc1 ZINC001302967344 1067537225 /nfs/dbraw/zinc/53/72/25/1067537225.db2.gz PVJIXUQCGBFDQE-INIZCTEOSA-N 0 0 459.463 3.067 20 0 JGADRN Fc1ccc(CCn2c(Cc3ccncc3)nnc2N2CCN(CC(F)(F)F)CC2)cc1F ZINC001302967314 1067537250 /nfs/dbraw/zinc/53/72/50/1067537250.db2.gz OVKIYKZWAJBDKI-UHFFFAOYSA-N 0 0 466.458 3.469 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3cnccn3)n2Cc2cccnc2OCC(F)F)n1 ZINC001304457178 1067537551 /nfs/dbraw/zinc/53/75/51/1067537551.db2.gz VLCVYPYGYVRHCG-UHFFFAOYSA-N 0 0 452.469 3.162 20 0 JGADRN Cc1cccc(-c2nnc(N(C)Cc3nc4ccccc4c(=O)[nH]3)n2CCCCCS(C)(=O)=O)n1 ZINC001304457387 1067537772 /nfs/dbraw/zinc/53/77/72/1067537772.db2.gz BOAFBGYVMVOJNN-UHFFFAOYSA-N 0 0 495.609 3.149 20 0 JGADRN CC(C)Cc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001302968926 1067537863 /nfs/dbraw/zinc/53/78/63/1067537863.db2.gz ATFPXDDYCBBLQX-OAQYLSRUSA-N 0 0 467.492 3.497 20 0 JGADRN Fc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCOCC(F)F)cc1 ZINC001302968875 1067537898 /nfs/dbraw/zinc/53/78/98/1067537898.db2.gz KVEYEGXXNQJITO-OAHLLOKOSA-N 0 0 468.398 3.436 20 0 JGADRN Fc1ccc(OCCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1F ZINC001302968796 1067537935 /nfs/dbraw/zinc/53/79/35/1067537935.db2.gz IGBWBIZVHAETEY-GOSISDBHSA-N 0 0 469.414 3.389 20 0 JGADRN Fc1ccc(OCCn2c(Cc3ccncc3)nnc2N2CCN(CC(F)F)CC2)cc1F ZINC001302969228 1067538270 /nfs/dbraw/zinc/53/82/70/1067538270.db2.gz MDNTZAZPXPRYSW-UHFFFAOYSA-N 0 0 464.467 3.008 20 0 JGADRN Fc1cccc(F)c1Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H]1CCOC1 ZINC001302969653 1067538575 /nfs/dbraw/zinc/53/85/75/1067538575.db2.gz PXANGNZRDDVOBQ-CQSZACIVSA-N 0 0 477.453 3.206 20 0 JGADRN Fc1cccc(F)c1Cc1nnc(N2CC=CCC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001302969612 1067538622 /nfs/dbraw/zinc/53/86/22/1067538622.db2.gz OPFMLMHZSKWHJI-SFHVURJKSA-N 0 0 457.447 3.177 20 0 JGADRN CC(C)Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CC[C@](C)(O)c1ccccc1 ZINC001302970591 1067538908 /nfs/dbraw/zinc/53/89/08/1067538908.db2.gz NDBBDRXYNAQDPU-NVQXNPDNSA-N 0 0 468.646 3.357 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCNC(=O)C(C)C)n2CCCc2nc3ccccc3[nH]2)n1 ZINC001304459398 1067538934 /nfs/dbraw/zinc/53/89/34/1067538934.db2.gz IJBAGQOUPTWFDD-UHFFFAOYSA-N 0 0 460.586 3.366 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2CC2(O)CCCCCC2)n1 ZINC001304459643 1067538981 /nfs/dbraw/zinc/53/89/81/1067538981.db2.gz JSUUFAQGIYTZIT-UHFFFAOYSA-N 0 0 454.619 3.476 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCc3nccs3)n2CC[C@H](N2CCOCC2)C(F)(F)F)n1 ZINC001304460188 1067539460 /nfs/dbraw/zinc/53/94/60/1067539460.db2.gz FLIIGEYHMMTREE-SFHVURJKSA-N 0 0 495.575 3.437 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCc3ccc(Br)cc3)n2Cc2cnnn2C)n1 ZINC001304459740 1067539468 /nfs/dbraw/zinc/53/94/68/1067539468.db2.gz BKMDKSHNQUHHOE-UHFFFAOYSA-N 0 0 467.375 3.267 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2CCCc2nc3c(s2)CCCC3)n1 ZINC001304461029 1067539795 /nfs/dbraw/zinc/53/97/95/1067539795.db2.gz XXZUBWYDXCRXJY-UHFFFAOYSA-N 0 0 488.683 3.488 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001302972104 1067539917 /nfs/dbraw/zinc/53/99/17/1067539917.db2.gz LJFHOSWTHLEGQD-VWLOTQADSA-N 0 0 452.603 3.238 20 0 JGADRN Cc1cccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CCNC(=O)c2ccc(C)c(F)c2)n1 ZINC001304462475 1067540601 /nfs/dbraw/zinc/54/06/01/1067540601.db2.gz SHXWHTYPMSZBJX-LJQANCHMSA-N 0 0 452.534 3.141 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCOc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)n1 ZINC001304462185 1067540681 /nfs/dbraw/zinc/54/06/81/1067540681.db2.gz MKVKOVFYXKNMJW-UHFFFAOYSA-N 0 0 477.956 3.359 20 0 JGADRN Cc1cccc(-c2nnc(N(C)CCOc3ccccc3Cl)n2CCCS(C)(=O)=O)n1 ZINC001304462467 1067540699 /nfs/dbraw/zinc/54/06/99/1067540699.db2.gz SDBYVCRVLQQEAW-UHFFFAOYSA-N 0 0 463.991 3.252 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1Cc1cccc(Br)n1 ZINC001302974470 1067540889 /nfs/dbraw/zinc/54/08/89/1067540889.db2.gz FEERKPXWRBEGEB-IAGOWNOFSA-N 0 0 450.381 3.067 20 0 JGADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302974428 1067540912 /nfs/dbraw/zinc/54/09/12/1067540912.db2.gz 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Cc1cccc(CC2(O)CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CC[C@@H](F)C3)CC2)c1 ZINC001304486350 1067564919 /nfs/dbraw/zinc/56/49/19/1067564919.db2.gz HINRIIYLWLCEOU-NHCUHLMSSA-N 0 0 457.594 3.437 20 0 JGADRN Cc1cccc(CCCn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CCNC(=O)C(C)C)n1 ZINC001304487053 1067565676 /nfs/dbraw/zinc/56/56/76/1067565676.db2.gz RLJAXLQYFJAURH-QHCPKHFHSA-N 0 0 478.597 3.335 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O ZINC001303010938 1067565827 /nfs/dbraw/zinc/56/58/27/1067565827.db2.gz OPLMPXDSFUEVOY-AREMUKBSSA-N 0 0 476.581 3.260 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001303011024 1067565833 /nfs/dbraw/zinc/56/58/33/1067565833.db2.gz QBOVRHMGZGXFIR-HOYKHHGWSA-N 0 0 457.623 3.053 20 0 JGADRN Cc1cccc(CCCn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)n1 ZINC001304487464 1067565999 /nfs/dbraw/zinc/56/59/99/1067565999.db2.gz ZGDSANKTIKSMJC-HXUWFJFHSA-N 0 0 493.637 3.336 20 0 JGADRN Cc1cccc(CC2(O)CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCSC3)CC2)c1 ZINC001304487638 1067566028 /nfs/dbraw/zinc/56/60/28/1067566028.db2.gz NEUDERXMAPBTKA-HXUWFJFHSA-N 0 0 457.644 3.052 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001303011454 1067566105 /nfs/dbraw/zinc/56/61/05/1067566105.db2.gz SOBFUQBCEKVYRB-AREMUKBSSA-N 0 0 495.628 3.086 20 0 JGADRN Cc1cccc(CCCn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)n1 ZINC001304487463 1067566106 /nfs/dbraw/zinc/56/61/06/1067566106.db2.gz ZGDSANKTIKSMJC-FQEVSTJZSA-N 0 0 493.637 3.336 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001303011761 1067566482 /nfs/dbraw/zinc/56/64/82/1067566482.db2.gz UWBMRUNXNMDGIU-IBVKSMDESA-N 0 0 485.677 3.030 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303012040 1067566697 /nfs/dbraw/zinc/56/66/97/1067566697.db2.gz VWVZUFKRWVPGGA-UQBPGWFLSA-N 0 0 465.602 3.020 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001303012657 1067567003 /nfs/dbraw/zinc/56/70/03/1067567003.db2.gz DCRKZOVWRBWVEB-HFZDXXHNSA-N 0 0 497.644 3.207 20 0 JGADRN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001304489076 1067567367 /nfs/dbraw/zinc/56/73/67/1067567367.db2.gz BLAZBSKPCMSZFE-HXUWFJFHSA-N 0 0 470.618 3.461 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001303012950 1067567674 /nfs/dbraw/zinc/56/76/74/1067567674.db2.gz HEJSSKZXIQGCLM-HYBUGGRVSA-N 0 0 462.639 3.091 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccco1 ZINC001303012919 1067567709 /nfs/dbraw/zinc/56/77/09/1067567709.db2.gz GJRMTFUQAQJMEH-SPEDKVCISA-N 0 0 450.605 3.302 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=C(C(F)(F)F)CC2)c1 ZINC001304489286 1067567666 /nfs/dbraw/zinc/56/76/66/1067567666.db2.gz DRUCADPLIKZVNW-OAHLLOKOSA-N 0 0 457.522 3.138 20 0 JGADRN 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CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001303014489 1067568877 /nfs/dbraw/zinc/56/88/77/1067568877.db2.gz NNXJOJGMNBDKRZ-AXHZCLLHSA-N 0 0 465.639 3.415 20 0 JGADRN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC001304491368 1067568912 /nfs/dbraw/zinc/56/89/12/1067568912.db2.gz QWVAVVRINMGZBA-UHFFFAOYSA-N 0 0 468.005 3.342 20 0 JGADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)NCC3(OCCO)CCCCC3)C2)C1 ZINC001304490908 1067568956 /nfs/dbraw/zinc/56/89/56/1067568956.db2.gz MKTDVLVHRWJJHT-OTQYULQBSA-N 0 0 456.649 3.384 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2cccs2)n1 ZINC001304491033 1067568959 /nfs/dbraw/zinc/56/89/59/1067568959.db2.gz QMZPKFXVIKBTHA-FUHWJXTLSA-N 0 0 460.629 3.237 20 0 JGADRN Cc1cccc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)n1 ZINC001304490958 1067568966 /nfs/dbraw/zinc/56/89/66/1067568966.db2.gz PIWWCYPVEZUFDI-OSPHWJPCSA-N 0 0 452.534 3.205 20 0 JGADRN 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Cc1cccc(CCn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC001304492003 1067569846 /nfs/dbraw/zinc/56/98/46/1067569846.db2.gz NLIVJGHGMWBQBP-UHFFFAOYSA-N 0 0 475.519 3.125 20 0 JGADRN Cc1cccc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CCc2nccs2)n1 ZINC001304492187 1067569878 /nfs/dbraw/zinc/56/98/78/1067569878.db2.gz YVYVQJADLUZKQD-UHFFFAOYSA-N 0 0 482.635 3.430 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001303015761 1067570086 /nfs/dbraw/zinc/57/00/86/1067570086.db2.gz IYWRYHFGYPMUQJ-RUZDIDTESA-N 0 0 453.631 3.357 20 0 JGADRN Cc1ccc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)c2)s1 ZINC001304492728 1067570039 /nfs/dbraw/zinc/57/00/39/1067570039.db2.gz AAWDGNRUQCSVSB-NRFANRHFSA-N 0 0 489.667 3.168 20 0 JGADRN Cc1cccc(CCn2c(CC(C)C)nnc2N2CCN(CC(=O)N3CCCCC3)CC2)c1 ZINC001304492785 1067570085 /nfs/dbraw/zinc/57/00/85/1067570085.db2.gz GWJGCPFCKBJDHR-UHFFFAOYSA-N 0 0 452.647 3.162 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001303016158 1067570291 /nfs/dbraw/zinc/57/02/91/1067570291.db2.gz WHRIYMMHMKEFLX-WFXMLNOXSA-N 0 0 461.573 3.432 20 0 JGADRN CCN(C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H](CO)c1ccccc1 ZINC001303016151 1067570366 /nfs/dbraw/zinc/57/03/66/1067570366.db2.gz NSVJHYQWCJGFLM-IBGZPJMESA-N 0 0 458.502 3.346 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001303017331 1067570769 /nfs/dbraw/zinc/57/07/69/1067570769.db2.gz RAGBLCVHUJMXAC-AUSIDOKSSA-N 0 0 456.616 3.486 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001303017334 1067570872 /nfs/dbraw/zinc/57/08/72/1067570872.db2.gz RAGBLCVHUJMXAC-WMZHIEFXSA-N 0 0 456.616 3.486 20 0 JGADRN Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccc(F)cc2)n1 ZINC001304494284 1067571009 /nfs/dbraw/zinc/57/10/09/1067571009.db2.gz PEVMOIKHANHWBA-IEBWSBKVSA-N 0 0 457.575 3.463 20 0 JGADRN 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WWLMRKLRLRRKQU-UHFFFAOYSA-N 0 0 495.628 3.446 20 0 JGADRN Cc1nc2n(n1)CCN(c1nnc(COc3cccc(C)c3)n1CC(C)(C)NC(=O)OC(C)(C)C)C2 ZINC001304512071 1067588636 /nfs/dbraw/zinc/58/86/36/1067588636.db2.gz KZVUBBKFECDTGA-UHFFFAOYSA-N 0 0 496.616 3.389 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001304512207 1067588645 /nfs/dbraw/zinc/58/86/45/1067588645.db2.gz NMGWOPKPDFBHDZ-AREMUKBSSA-N 0 0 479.629 3.469 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCCC(=O)N(C)C)c1 ZINC001304512457 1067589309 /nfs/dbraw/zinc/58/93/09/1067589309.db2.gz ZFYPUOBWUFYTJP-SFHVURJKSA-N 0 0 482.551 3.107 20 0 JGADRN CC(C)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 ZINC001303046901 1067589367 /nfs/dbraw/zinc/58/93/67/1067589367.db2.gz IAZHNIWYTGZAQU-INIZCTEOSA-N 0 0 452.401 3.151 20 0 JGADRN CC(C)CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001303046700 1067589444 /nfs/dbraw/zinc/58/94/44/1067589444.db2.gz FPBQJRVAGQSTCM-HSZRJFAPSA-N 0 0 484.693 3.291 20 0 JGADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001304512652 1067589569 /nfs/dbraw/zinc/58/95/69/1067589569.db2.gz RVKRZLRXGOLOPH-HHHXNRCGSA-N 0 0 495.672 3.245 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(c4ncccn4)CC3)n2CC(F)(F)Br)c1 ZINC001304512833 1067589586 /nfs/dbraw/zinc/58/95/86/1067589586.db2.gz UZOPIZVZCMSSNL-UHFFFAOYSA-N 0 0 494.344 3.270 20 0 JGADRN Cc1noc(C)c1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CCOC(C)C)CC1 ZINC001304512878 1067589923 /nfs/dbraw/zinc/58/99/23/1067589923.db2.gz WJXKRROGLOLXRO-UHFFFAOYSA-N 0 0 468.602 3.366 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCO[C@]4(CCO[C@H]4C)C3)n2CCCOC(F)F)c1 ZINC001304513009 1067590279 /nfs/dbraw/zinc/59/02/79/1067590279.db2.gz OJNUFOWDRUPMES-HTAPYJJXSA-N 0 0 452.502 3.179 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001304513161 1067590769 /nfs/dbraw/zinc/59/07/69/1067590769.db2.gz QAFDMDXVEZPBAG-JLRUASKGSA-N 0 0 458.603 3.347 20 0 JGADRN Cc1c(Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cnn1C 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BSZVQWPSMZZZAG-IBGZPJMESA-N 0 0 473.643 3.464 20 0 JGADRN Cc1csc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCOc3cccc(C)c3)CCO2)n1 ZINC001304515682 1067592308 /nfs/dbraw/zinc/59/23/08/1067592308.db2.gz QDTKSVIDIAIFJL-IBGZPJMESA-N 0 0 470.599 3.147 20 0 JGADRN Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1)C2 ZINC001304516260 1067592560 /nfs/dbraw/zinc/59/25/60/1067592560.db2.gz HIRQIYMOQVVQBK-MRXNPFEDSA-N 0 0 472.615 3.093 20 0 JGADRN NC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001303052861 1067592780 /nfs/dbraw/zinc/59/27/80/1067592780.db2.gz LAPGAHZFVPAQJQ-IBGZPJMESA-N 0 0 473.021 3.017 20 0 JGADRN CC(C)CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001303053210 1067593003 /nfs/dbraw/zinc/59/30/03/1067593003.db2.gz CRVHRLNYAHBEBD-UHFFFAOYSA-N 0 0 458.632 3.356 20 0 JGADRN O=C(c1ccc(F)cc1)N1CCN(c2nnc(Cc3ccccn3)n2CCCOC(F)(F)F)CC1 ZINC001303053002 1067593048 /nfs/dbraw/zinc/59/30/48/1067593048.db2.gz OLIABNNGWMQSSP-UHFFFAOYSA-N 0 0 492.477 3.292 20 0 JGADRN O=C(c1ccc(O)cc1)N1CCN(c2nnc(-c3cccnc3)n2CCCC(F)(F)F)CC1 ZINC001303052976 1067593073 /nfs/dbraw/zinc/59/30/73/1067593073.db2.gz NOMFHUMUXRXUAZ-UHFFFAOYSA-N 0 0 460.460 3.351 20 0 JGADRN Cc1cccc(OCCn2c(CC(C)C)nnc2N2CCN(CC(=O)NC3CCCCC3)CC2)c1 ZINC001304517365 1067593121 /nfs/dbraw/zinc/59/31/21/1067593121.db2.gz HAQUTCKARKMYOK-UHFFFAOYSA-N 0 0 482.673 3.435 20 0 JGADRN O=C(c1ccccc1F)N1CCCN(c2nnc(-c3ccccn3)n2CCCOC(F)F)CC1 ZINC001303052995 1067593125 /nfs/dbraw/zinc/59/31/25/1067593125.db2.gz OEGHGWLBKQSJNG-UHFFFAOYSA-N 0 0 474.487 3.461 20 0 JGADRN Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F)C2 ZINC001304516960 1067593190 /nfs/dbraw/zinc/59/31/90/1067593190.db2.gz SLBDZODSXRKRMV-CQSZACIVSA-N 0 0 459.538 3.348 20 0 JGADRN O=C(c1ccccc1)N1CCCN(c2nnc([C@@H]3CCOC3)n2CCCOC(F)(F)F)CC1 ZINC001303053430 1067593301 /nfs/dbraw/zinc/59/33/01/1067593301.db2.gz VBOOKTFUDBPNCL-GOSISDBHSA-N 0 0 467.492 3.061 20 0 JGADRN O=C(c1ccc(Cl)cc1)N1CCN(c2nnc(Cc3cccnc3)n2CCOCC(F)F)CC1 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ZINC001304784508 1067879783 /nfs/dbraw/zinc/87/97/83/1067879783.db2.gz WIGFBPHKGJZQSX-UHFFFAOYSA-N 0 0 457.579 3.030 20 0 JGADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)s1 ZINC001304785284 1067880232 /nfs/dbraw/zinc/88/02/32/1067880232.db2.gz LZSNNWGTXYDRIX-HNNXBMFYSA-N 0 0 492.671 3.232 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001303353279 1067880402 /nfs/dbraw/zinc/88/04/02/1067880402.db2.gz CSYDPAZLQZQBIA-LEWJYISDSA-N 0 0 473.643 3.168 20 0 JGADRN Cc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001304786626 1067880942 /nfs/dbraw/zinc/88/09/42/1067880942.db2.gz GDZREHXLFAIEEY-OAHLLOKOSA-N 0 0 451.593 3.054 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001303354080 1067881594 /nfs/dbraw/zinc/88/15/94/1067881594.db2.gz DJAGHFGXTUVNNE-RUZDIDTESA-N 0 0 481.622 3.485 20 0 JGADRN Cc1nnc(Cn2c(COc3ccccc3F)nnc2N2CCN(C(=O)OCC(C)C)CC2)s1 ZINC001304790345 1067882329 /nfs/dbraw/zinc/88/23/29/1067882329.db2.gz ZQIVIDZONDURLK-UHFFFAOYSA-N 0 0 489.577 3.119 20 0 JGADRN Cc1nnc(Cn2c([C@H]3CCCO3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)s1 ZINC001304790137 1067882361 /nfs/dbraw/zinc/88/23/61/1067882361.db2.gz YWUUYELRWPOYGM-RHSMWYFYSA-N 0 0 477.635 3.467 20 0 JGADRN Cc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1Cc1cccc(Br)n1 ZINC001304790071 1067882518 /nfs/dbraw/zinc/88/25/18/1067882518.db2.gz WUQUVXHOEMOXSI-CYBMUJFWSA-N 0 0 464.389 3.393 20 0 JGADRN Cc1nnc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)s1 ZINC001304790043 1067882608 /nfs/dbraw/zinc/88/26/08/1067882608.db2.gz WRVMGCMEWGXMNR-IBGZPJMESA-N 0 0 464.020 3.134 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001303354599 1067882441 /nfs/dbraw/zinc/88/24/41/1067882441.db2.gz RRDHNQHFQREITJ-ZWKOTPCHSA-N 0 0 492.020 3.312 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001303354545 1067882492 /nfs/dbraw/zinc/88/24/92/1067882492.db2.gz NSJFBZWSCXTIPC-JJTKIYQPSA-N 0 0 481.519 3.155 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCc1ccc(F)c(F)c1 ZINC001303355521 1067882995 /nfs/dbraw/zinc/88/29/95/1067882995.db2.gz NGZLGVNHMRBAAQ-UHFFFAOYSA-N 0 0 473.446 3.285 20 0 JGADRN Cc1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CCCCn1cc(Br)cn1 ZINC001304790534 1067883038 /nfs/dbraw/zinc/88/30/38/1067883038.db2.gz NEBWTGIPINKQHL-UHFFFAOYSA-N 0 0 482.333 3.379 20 0 JGADRN Cc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CCCN(C)CC(F)(F)F ZINC001304793221 1067883063 /nfs/dbraw/zinc/88/30/63/1067883063.db2.gz ZZIJGOANFTYERB-KRWDZBQOSA-N 0 0 460.570 3.042 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC(C)(C)C(F)(F)F ZINC001303355250 1067883023 /nfs/dbraw/zinc/88/30/23/1067883023.db2.gz MQRVAXFOEDOFDI-INIZCTEOSA-N 0 0 480.535 3.494 20 0 JGADRN CC(C)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CCCS(=O)(=O)c1ccccc1 ZINC001303355431 1067883170 /nfs/dbraw/zinc/88/31/70/1067883170.db2.gz UPOYWBCPPTZNPV-FPOVZHCZSA-N 0 0 473.643 3.439 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001303355936 1067883663 /nfs/dbraw/zinc/88/36/63/1067883663.db2.gz QMZRILMSBQYFEZ-GOSISDBHSA-N 0 0 498.525 3.206 20 0 JGADRN Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001304795807 1067883752 /nfs/dbraw/zinc/88/37/52/1067883752.db2.gz MDMGHJKNNLHIHY-CYBMUJFWSA-N 0 0 472.459 3.351 20 0 JGADRN CC(C)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1CCN(C)CC(F)(F)F ZINC001303355685 1067883732 /nfs/dbraw/zinc/88/37/32/1067883732.db2.gz WXNFAZDEEMWYIE-UHFFFAOYSA-N 0 0 489.340 3.193 20 0 JGADRN CC(C)NC(=O)c1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1C[C@H]1CCCO1 ZINC001303356036 1067884093 /nfs/dbraw/zinc/88/40/93/1067884093.db2.gz XPRZELXPPZOXCC-WMLDXEAASA-N 0 0 462.392 3.482 20 0 JGADRN Cc1nnc(N(C)Cc2csc(Br)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC001304796109 1067884287 /nfs/dbraw/zinc/88/42/87/1067884287.db2.gz REDGTRXEOYPANO-HOTGVXAUSA-N 0 0 488.477 3.251 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1C[C@H](c1ccccc1)N1CCOCC1 ZINC001303358171 1067885314 /nfs/dbraw/zinc/88/53/14/1067885314.db2.gz BEOGKFNBCWFRCD-HSZRJFAPSA-N 0 0 468.646 3.362 20 0 JGADRN COC(=O)[C@@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)CC1CCCC1 ZINC001304801133 1067885286 /nfs/dbraw/zinc/88/52/86/1067885286.db2.gz DAHMOSNKWDEDMX-NRSPTQNISA-N 0 0 453.539 3.064 20 0 JGADRN COC(=O)[C@H](CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)CC1CCCC1 ZINC001304801198 1067885534 /nfs/dbraw/zinc/88/55/34/1067885534.db2.gz FCXNKEUVRSEKGS-YJBOKZPZSA-N 0 0 451.361 3.288 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@]1(O)CCC[C@@H]1C ZINC001303358522 1067885660 /nfs/dbraw/zinc/88/56/60/1067885660.db2.gz GIGUFDMAFWDBLS-BLLLJJGKSA-N 0 0 471.446 3.289 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001303358919 1067886147 /nfs/dbraw/zinc/88/61/47/1067886147.db2.gz KNTLBPKCMSFMOV-AWEZNQCLSA-N 0 0 468.528 3.210 20 0 JGADRN Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccn(Cc2ccccc2)n1 ZINC001304807030 1067886950 /nfs/dbraw/zinc/88/69/50/1067886950.db2.gz BJWDZSNBBKIXSM-UTKZUKDTSA-N 0 0 451.575 3.229 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCSC1 ZINC001303359585 1067887218 /nfs/dbraw/zinc/88/72/18/1067887218.db2.gz ZFKIIUZSQOMAJU-KURKYZTESA-N 0 0 480.679 3.299 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccc2nsnc2c1 ZINC001303359556 1067887364 /nfs/dbraw/zinc/88/73/64/1067887364.db2.gz YJVDCOYDXXPXBP-UHFFFAOYSA-N 0 0 453.494 3.248 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CSCCS1 ZINC001303359543 1067887383 /nfs/dbraw/zinc/88/73/83/1067887383.db2.gz YHCLYPSRCLNTAT-IXDOHACOSA-N 0 0 498.719 3.004 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001303359961 1067887613 /nfs/dbraw/zinc/88/76/13/1067887613.db2.gz IMZZEDDWVIEIBI-GOSISDBHSA-N 0 0 473.643 3.026 20 0 JGADRN Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001304810970 1067887994 /nfs/dbraw/zinc/88/79/94/1067887994.db2.gz FBZGDTYYIDNALU-UHFFFAOYSA-N 0 0 454.497 3.054 20 0 JGADRN Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001304811576 1067888121 /nfs/dbraw/zinc/88/81/21/1067888121.db2.gz KBLAOOJRMOQCLJ-SFHVURJKSA-N 0 0 465.476 3.100 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001303360567 1067888324 /nfs/dbraw/zinc/88/83/24/1067888324.db2.gz QCVBFCUKGWKOPN-RUZDIDTESA-N 0 0 492.665 3.241 20 0 JGADRN Cc1nnc(N2C[C@@H](C)C[C@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)n1CC(=O)NC(C)C ZINC001304811659 1067888282 /nfs/dbraw/zinc/88/82/82/1067888282.db2.gz WAKPXSARTCASOT-LAJNKCICSA-N 0 0 464.929 3.207 20 0 JGADRN Cc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001304812037 1067888319 /nfs/dbraw/zinc/88/83/19/1067888319.db2.gz NTIDDLDDZMIWSB-HXUWFJFHSA-N 0 0 481.519 3.045 20 0 JGADRN Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001304812635 1067888623 /nfs/dbraw/zinc/88/86/23/1067888623.db2.gz CKKJGVXTHGSNGK-UHFFFAOYSA-N 0 0 455.603 3.025 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001303361376 1067888639 /nfs/dbraw/zinc/88/86/39/1067888639.db2.gz ADXGILJIHLVAGT-GOEBONIOSA-N 0 0 469.483 3.485 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001303361455 1067888974 /nfs/dbraw/zinc/88/89/74/1067888974.db2.gz BCNXLYGBKVQQBF-KRWDZBQOSA-N 0 0 466.508 3.131 20 0 JGADRN Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001304813591 1067888960 /nfs/dbraw/zinc/88/89/60/1067888960.db2.gz WOCISWMAIBRKCW-MRXNPFEDSA-N 0 0 467.418 3.037 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001303362357 1067889396 /nfs/dbraw/zinc/88/93/96/1067889396.db2.gz KWIGOXPASZGIMR-IRXDYDNUSA-N 0 0 488.599 3.473 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001303362382 1067889933 /nfs/dbraw/zinc/88/99/33/1067889933.db2.gz LGRPNIJGSNWJOZ-UUOWRZLLSA-N 0 0 476.021 3.230 20 0 JGADRN Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001304815388 1067890103 /nfs/dbraw/zinc/89/01/03/1067890103.db2.gz BFRLPWQCUYJDDI-VJBMBRPKSA-N 0 0 484.645 3.227 20 0 JGADRN Cc1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1Cc1cccnc1OCC(F)F ZINC001304814290 1067890171 /nfs/dbraw/zinc/89/01/71/1067890171.db2.gz XWKLQOABQXDLPM-OAHLLOKOSA-N 0 0 450.534 3.051 20 0 JGADRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)c2cccnc2)c1 ZINC001304815839 1067890576 /nfs/dbraw/zinc/89/05/76/1067890576.db2.gz RBFCOERAIMQOBO-SBUREZEXSA-N 0 0 451.548 3.027 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001303363859 1067890647 /nfs/dbraw/zinc/89/06/47/1067890647.db2.gz TZPABRHUEHVDDI-OAHLLOKOSA-N 0 0 452.481 3.145 20 0 JGADRN Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCc1cnc2c(Cl)cnn2c1 ZINC001304816875 1067890828 /nfs/dbraw/zinc/89/08/28/1067890828.db2.gz GYKSDCOVQQFKAK-UHFFFAOYSA-N 0 0 474.997 3.409 20 0 JGADRN COC(=O)[C@]12CCC[C@H]1N(C(=O)C1CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC1)CC2 ZINC001303363734 1067890839 /nfs/dbraw/zinc/89/08/39/1067890839.db2.gz PXFGQLGBNZNQNO-QPPBQGQZSA-N 0 0 462.612 3.155 20 0 JGADRN COc1ccc(C[C@@](C)(CO)NC(=O)c2cnn(C(C)(C)C)c2Br)cc1OC ZINC001303364012 1067891064 /nfs/dbraw/zinc/89/10/64/1067891064.db2.gz QAWKSFJQIXNAKQ-FQEVSTJZSA-N 0 0 454.365 3.141 20 0 JGADRN COC(=O)[C@]12CCC[C@H]1N(C(=O)c1ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc1)CC2 ZINC001303364135 1067891127 /nfs/dbraw/zinc/89/11/27/1067891127.db2.gz UXGHMMLXOVJDFR-OFNKIYASSA-N 0 0 458.536 3.054 20 0 JGADRN COC(=O)[C@]12CCC[C@H]1N(C(=O)c1ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c1)CC2 ZINC001303364092 1067891223 /nfs/dbraw/zinc/89/12/23/1067891223.db2.gz SEAQRCCSNHPDNL-LYLBAIIYSA-N 0 0 469.003 3.318 20 0 JGADRN Cc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001304819902 1067891253 /nfs/dbraw/zinc/89/12/53/1067891253.db2.gz DFIASVUHXINRLA-SFHVURJKSA-N 0 0 456.557 3.136 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001303364194 1067891367 /nfs/dbraw/zinc/89/13/67/1067891367.db2.gz IUOHXGOWDUWGGT-JGCGQSQUSA-N 0 0 461.632 3.053 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001303364533 1067891597 /nfs/dbraw/zinc/89/15/97/1067891597.db2.gz XXJQSDIGRFICRO-LJQANCHMSA-N 0 0 480.535 3.468 20 0 JGADRN Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001304821771 1067891791 /nfs/dbraw/zinc/89/17/91/1067891791.db2.gz FAQCLIVFYGWAGA-QGZVFWFLSA-N 0 0 468.499 3.147 20 0 JGADRN Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CCc1ccccc1OC(F)F ZINC001304821518 1067891840 /nfs/dbraw/zinc/89/18/40/1067891840.db2.gz CFBCQSJFGHJIPD-UHFFFAOYSA-N 0 0 461.435 3.326 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1CCCCCS(C)(=O)=O ZINC001303365064 1067892276 /nfs/dbraw/zinc/89/22/76/1067892276.db2.gz OGHVSLPGQRFLLY-QUCCMNQESA-N 0 0 461.632 3.014 20 0 JGADRN COc1ccc(C[C@](C)(CO)NC(=O)c2cccc(CNc3ccnc(C)n3)c2)cc1OC ZINC001303364883 1067892338 /nfs/dbraw/zinc/89/23/38/1067892338.db2.gz WJOVXWDOCHOICW-RUZDIDTESA-N 0 0 450.539 3.138 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccccc1 ZINC001303365454 1067892645 /nfs/dbraw/zinc/89/26/45/1067892645.db2.gz BWRNUFRWASGESP-IBGZPJMESA-N 0 0 456.591 3.158 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CC(F)(F)Br ZINC001303365388 1067892879 /nfs/dbraw/zinc/89/28/79/1067892879.db2.gz APSHHKLEHAXUQX-OAHLLOKOSA-N 0 0 456.335 3.473 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(CC(N)=O)CC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001303365789 1067893252 /nfs/dbraw/zinc/89/32/52/1067893252.db2.gz DWDFPXXOSSCJFO-QAQDUYKDSA-N 0 0 458.994 3.280 20 0 JGADRN Cc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001304825050 1067894105 /nfs/dbraw/zinc/89/41/05/1067894105.db2.gz GKIGZPYNMSRGKA-KRWDZBQOSA-N 0 0 497.522 3.286 20 0 JGADRN Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1Cc1cccnc1OCC(F)F ZINC001304825251 1067894372 /nfs/dbraw/zinc/89/43/72/1067894372.db2.gz IZBOPWBPBCDGQP-UHFFFAOYSA-N 0 0 456.497 3.073 20 0 JGADRN Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1Cc1cccnc1OCC(F)F ZINC001304825537 1067894780 /nfs/dbraw/zinc/89/47/80/1067894780.db2.gz NNPXFOKMXUKCPI-UHFFFAOYSA-N 0 0 474.487 3.212 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1CC(=O)N(C)C1CCCCC1 ZINC001303366367 1067894662 /nfs/dbraw/zinc/89/46/62/1067894662.db2.gz ZRJFUNWGMKBZKF-HXUWFJFHSA-N 0 0 452.603 3.201 20 0 JGADRN Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304825960 1067894837 /nfs/dbraw/zinc/89/48/37/1067894837.db2.gz KDXVUTYQJMULDK-RDJZCZTQSA-N 0 0 452.600 3.193 20 0 JGADRN Cc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001304826345 1067895138 /nfs/dbraw/zinc/89/51/38/1067895138.db2.gz NAADSMJSNDNGSJ-UHFFFAOYSA-N 0 0 454.619 3.463 20 0 JGADRN Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001304826201 1067895182 /nfs/dbraw/zinc/89/51/82/1067895182.db2.gz KPYWSRCAWISDMZ-OAHLLOKOSA-N 0 0 452.600 3.241 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001303366632 1067895225 /nfs/dbraw/zinc/89/52/25/1067895225.db2.gz UKNBYNDQPAITOJ-HMXCVIKNSA-N 0 0 471.650 3.060 20 0 JGADRN Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001304826199 1067895251 /nfs/dbraw/zinc/89/52/51/1067895251.db2.gz KPYWSRCAWISDMZ-HNNXBMFYSA-N 0 0 452.600 3.241 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1Cc1ncccc1N(C)C ZINC001303366757 1067895669 /nfs/dbraw/zinc/89/56/69/1067895669.db2.gz XQDBHCUOQCCRBY-IBGZPJMESA-N 0 0 465.577 3.134 20 0 JGADRN Cc1nnc(N2CCC(Nc3cccnn3)CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001304826964 1067895614 /nfs/dbraw/zinc/89/56/14/1067895614.db2.gz QYWVDUDPNMLKEY-LPHOPBHVSA-N 0 0 456.595 3.103 20 0 JGADRN Cc1nnc(N2CCC(OC[C@H]3CCOC3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001304828613 1067895974 /nfs/dbraw/zinc/89/59/74/1067895974.db2.gz DPFCZLOFGXDNGB-IBGZPJMESA-N 0 0 459.557 3.273 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCCNC(=O)OC(C)(C)C ZINC001303367053 1067896046 /nfs/dbraw/zinc/89/60/46/1067896046.db2.gz HYECQZALMJTMLC-UHFFFAOYSA-N 0 0 461.394 3.230 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C(F)(F)C12CCC2 ZINC001303367259 1067896408 /nfs/dbraw/zinc/89/64/08/1067896408.db2.gz NMZOONRISRPWBI-JKSUJKDBSA-N 0 0 482.576 3.203 20 0 JGADRN Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001304831730 1067896656 /nfs/dbraw/zinc/89/66/56/1067896656.db2.gz VYXMDJTZRMVGES-GOSISDBHSA-N 0 0 473.565 3.301 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001303367681 1067897545 /nfs/dbraw/zinc/89/75/45/1067897545.db2.gz ZKOFRMQWJXEHLP-INIZCTEOSA-N 0 0 489.621 3.101 20 0 JGADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1nccc(C(F)F)n1 ZINC001304835829 1067897604 /nfs/dbraw/zinc/89/76/04/1067897604.db2.gz SURWSXKFQFHZEJ-HIFRSBDPSA-N 0 0 451.522 3.492 20 0 JGADRN Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1C[C@@](C)(O)c1cccs1 ZINC001304835899 1067897648 /nfs/dbraw/zinc/89/76/48/1067897648.db2.gz UBGNLULYTLRPJG-QVKFZJNVSA-N 0 0 460.991 3.459 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CCCS1 ZINC001303368923 1067897726 /nfs/dbraw/zinc/89/77/26/1067897726.db2.gz CQLFIFJHMGGHDZ-OPAMFIHVSA-N 0 0 466.652 3.148 20 0 JGADRN Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001304839434 1067899039 /nfs/dbraw/zinc/89/90/39/1067899039.db2.gz JIAUPHFMIGJIFB-RTBURBONSA-N 0 0 462.639 3.365 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCc1ccc(F)cc1 ZINC001303369750 1067899026 /nfs/dbraw/zinc/89/90/26/1067899026.db2.gz SRHRCGWNEIJVDF-LJQANCHMSA-N 0 0 474.581 3.244 20 0 JGADRN Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001304839431 1067899105 /nfs/dbraw/zinc/89/91/05/1067899105.db2.gz JIAUPHFMIGJIFB-MOPGFXCFSA-N 0 0 462.639 3.365 20 0 JGADRN O=C(CSCC(=O)Nc1cccc(Br)c1)NCc1ccc2oc(=O)[nH]c2c1 ZINC001303369608 1067899357 /nfs/dbraw/zinc/89/93/57/1067899357.db2.gz CNBZQXVKGOWYJG-UHFFFAOYSA-N 0 0 450.314 3.284 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(N3CCCC3=O)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001303370005 1067899607 /nfs/dbraw/zinc/89/96/07/1067899607.db2.gz VFMJWOIIXCBRNZ-UHFFFAOYSA-N 0 0 478.519 3.075 20 0 JGADRN Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001304841277 1067899814 /nfs/dbraw/zinc/89/98/14/1067899814.db2.gz FDTRXWHPYGFZKH-DYESRHJHSA-N 0 0 467.536 3.403 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1Cc1ccc(Cl)nc1 ZINC001303370288 1067900029 /nfs/dbraw/zinc/90/00/29/1067900029.db2.gz WYWLMUPNWCKUFT-UHFFFAOYSA-N 0 0 463.373 3.204 20 0 JGADRN Cc1nn2c(nc(C)cc2C)c1C(=O)N1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303370180 1067900045 /nfs/dbraw/zinc/90/00/45/1067900045.db2.gz HSKRVUSDSUXFFG-GJZGRUSLSA-N 0 0 455.481 3.430 20 0 JGADRN Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O ZINC001304842645 1067900440 /nfs/dbraw/zinc/90/04/40/1067900440.db2.gz XWOOWDUXGYMBBB-SJORKVTESA-N 0 0 491.605 3.025 20 0 JGADRN COc1ccc(C(=O)N2CCC[C@H](C(C)(C)O)C2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC001303371721 1067900789 /nfs/dbraw/zinc/90/07/89/1067900789.db2.gz WYNDKFAFEBAZOA-NZSAHSFTSA-N 0 0 452.617 3.175 20 0 JGADRN Cc1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001304844511 1067901118 /nfs/dbraw/zinc/90/11/18/1067901118.db2.gz BRFKIUKXWXIBCT-UHFFFAOYSA-N 0 0 482.526 3.352 20 0 JGADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)Cn2cnc(-c3ccccc3)n2)C[C@H]1C(F)(F)F ZINC001303371824 1067901190 /nfs/dbraw/zinc/90/11/90/1067901190.db2.gz ZIOSJNGFGWKEMD-JKSUJKDBSA-N 0 0 453.465 3.107 20 0 JGADRN Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001304845348 1067901418 /nfs/dbraw/zinc/90/14/18/1067901418.db2.gz DBLNFHZYJYTOQD-IBGZPJMESA-N 0 0 466.627 3.441 20 0 JGADRN Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001304845364 1067901471 /nfs/dbraw/zinc/90/14/71/1067901471.db2.gz DZTZVRWRRMTTJS-UHFFFAOYSA-N 0 0 464.611 3.291 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1C[C@@H]1CC=CCC1 ZINC001303372204 1067901533 /nfs/dbraw/zinc/90/15/33/1067901533.db2.gz BZEWWYGJFLRVLI-LJQANCHMSA-N 0 0 471.627 3.215 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001303372205 1067901537 /nfs/dbraw/zinc/90/15/37/1067901537.db2.gz CANDEWJOOOBWKY-SHTZXODSSA-N 0 0 465.961 3.046 20 0 JGADRN Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001304845955 1067901786 /nfs/dbraw/zinc/90/17/86/1067901786.db2.gz LGXCNXNQEFSVHO-UHFFFAOYSA-N 0 0 470.496 3.276 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@H](OCCCc3ccccc3)C2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001303372555 1067902092 /nfs/dbraw/zinc/90/20/92/1067902092.db2.gz HKQJFKCBLSQTHE-VJBWXMMDSA-N 0 0 469.630 3.196 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001303372531 1067902181 /nfs/dbraw/zinc/90/21/81/1067902181.db2.gz HBKHKBOWZCZQKD-UNMCSNQZSA-N 0 0 477.650 3.320 20 0 JGADRN Cc1cccc(-c2noc(SCC(=O)N3C[C@@H]4[C@](C(F)(F)F)(C3)CCCS4(=O)=O)n2)c1 ZINC001304848777 1067902501 /nfs/dbraw/zinc/90/25/01/1067902501.db2.gz YNZORIMACYBZTP-RDTXWAMCSA-N 0 0 475.514 3.105 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(Cl)cc1 ZINC001303372815 1067902804 /nfs/dbraw/zinc/90/28/04/1067902804.db2.gz NUPZGMJQSYTUKX-GOSISDBHSA-N 0 0 477.009 3.416 20 0 JGADRN Cc1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001304849302 1067902872 /nfs/dbraw/zinc/90/28/72/1067902872.db2.gz UUCCIXRAXASAOY-WIYYLYMNSA-N 0 0 468.602 3.194 20 0 JGADRN 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C[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001305003383 1068046198 /nfs/dbraw/zinc/04/61/98/1068046198.db2.gz FLHVJJPMOAXCNY-USYVTKNRSA-N 0 0 467.680 3.103 20 0 JGADRN CC(C)O[C@]1(c2nnc(N3CCOCC4(CC4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCOC1 ZINC001303510868 1068046135 /nfs/dbraw/zinc/04/61/35/1068046135.db2.gz QOLPGFCLPYVMPF-RUZDIDTESA-N 0 0 493.649 3.239 20 0 JGADRN C[C@@H]1CN(CCN(C)c2nnc(Cc3cccnc3)n2CCO[C@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001305004413 1068046602 /nfs/dbraw/zinc/04/66/02/1068046602.db2.gz LWHXBBOEACQGDY-YCSHWKNNSA-N 0 0 470.662 3.405 20 0 JGADRN C[C@@H]1CCCC[C@H]1OCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(N)=O)CC1 ZINC001305004608 1068046967 /nfs/dbraw/zinc/04/69/67/1068046967.db2.gz JVQARVPYHVPBPT-DNVCBOLYSA-N 0 0 493.450 3.343 20 0 JGADRN C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCOC1 ZINC001305004603 1068047072 /nfs/dbraw/zinc/04/70/72/1068047072.db2.gz JVPHGGXJOHJUSC-LMNJBCLMSA-N 0 0 462.616 3.169 20 0 JGADRN C[C@@H]1CCCC[C@H]1OCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1F ZINC001305005294 1068047354 /nfs/dbraw/zinc/04/73/54/1068047354.db2.gz SHVJTFOARYFHLL-MISYRCLQSA-N 0 0 459.566 3.479 20 0 JGADRN CC(C)O[C@]1(c2nnc(N3CCSCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001303511704 1068047423 /nfs/dbraw/zinc/04/74/23/1068047423.db2.gz VLYGXCSYPJIDQF-VGOFRKELSA-N 0 0 450.580 3.479 20 0 JGADRN CC(C)O[C@]1(c2nnc(N3CCOCC4(CC4)C3)n2CCSC(F)(F)F)CCOC1 ZINC001303512024 1068047667 /nfs/dbraw/zinc/04/76/67/1068047667.db2.gz XGWKGQYRTNABKJ-GOSISDBHSA-N 0 0 450.527 3.189 20 0 JGADRN CC(C)O[C@]1(c2nnc(N3CCOC[C@H]3C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCOC1 ZINC001303512055 1068047692 /nfs/dbraw/zinc/04/76/92/1068047692.db2.gz XVGNXPUCPHYXDO-YDIMBITNSA-N 0 0 481.638 3.093 20 0 JGADRN C[C@@H]1CCCC[C@H]1OCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305005532 1068047805 /nfs/dbraw/zinc/04/78/05/1068047805.db2.gz SQHIIUJANVANLE-UYAOXDASSA-N 0 0 455.607 3.025 20 0 JGADRN CC(C)Oc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CC(N)=O)cn1 ZINC001303512104 1068047759 /nfs/dbraw/zinc/04/77/59/1068047759.db2.gz PUJASFZMRSUPMJ-QGZVFWFLSA-N 0 0 461.570 3.281 20 0 JGADRN CC(C)O[C@@]1(c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC=CO2)CCOC1 ZINC001303512492 1068048072 /nfs/dbraw/zinc/04/80/72/1068048072.db2.gz ZSBCWXXTGGYMNV-IECBHUPTSA-N 0 0 477.606 3.115 20 0 JGADRN CC(C)Oc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001303512333 1068048270 /nfs/dbraw/zinc/04/82/70/1068048270.db2.gz RTVKJJQJMFIJNU-MOPGFXCFSA-N 0 0 472.590 3.116 20 0 JGADRN C[C@@H]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001305005691 1068048156 /nfs/dbraw/zinc/04/81/56/1068048156.db2.gz OJITYFDKJBEMDM-FQBWVUSXSA-N 0 0 460.623 3.152 20 0 JGADRN C[C@@H]1CCCC[C@H]1OCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305006041 1068048197 /nfs/dbraw/zinc/04/81/97/1068048197.db2.gz WAXLIELQCWDONX-CBGDNZLLSA-N 0 0 461.557 3.444 20 0 JGADRN CC(C)Oc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)cc1 ZINC001303512769 1068048424 /nfs/dbraw/zinc/04/84/24/1068048424.db2.gz YSFPKPJKKXSCLD-JLAWEPINSA-N 0 0 450.580 3.200 20 0 JGADRN C[C@@H]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305006247 1068048461 /nfs/dbraw/zinc/04/84/61/1068048461.db2.gz RDLZNZSNPWWXNV-NCXUSEDFSA-N 0 0 460.623 3.186 20 0 JGADRN C[C@H]1CCC[C@H]1Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C ZINC001305006604 1068048514 /nfs/dbraw/zinc/04/85/14/1068048514.db2.gz UFDQFBOVUZBMFA-UNMCSNQZSA-N 0 0 452.647 3.450 20 0 JGADRN C[C@@H]1CCCC[C@H]1OCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1 ZINC001305006660 1068048556 /nfs/dbraw/zinc/04/85/56/1068048556.db2.gz YNKVYEWUKZNMRR-CEMLEFRQSA-N 0 0 454.619 3.397 20 0 JGADRN C[C@@H]1CCCC[C@@H]1OCCn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001305006463 1068048678 /nfs/dbraw/zinc/04/86/78/1068048678.db2.gz XSJLMWGUEMTHHV-HBFSDRIKSA-N 0 0 453.653 3.001 20 0 JGADRN CC(C)COC(=O)N1CCC(C(=O)N2CCC[C@@H](c3ncc(Br)cn3)C2)CC1 ZINC001303513255 1068048772 /nfs/dbraw/zinc/04/87/72/1068048772.db2.gz BXDQOZKVDKGRCG-MRXNPFEDSA-N 0 0 453.381 3.450 20 0 JGADRN CCOC(=O)Cc1csc(CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)n1 ZINC001303513908 1068048939 /nfs/dbraw/zinc/04/89/39/1068048939.db2.gz BDROGMJIESGOKE-UHFFFAOYSA-N 0 0 454.339 3.125 20 0 JGADRN CN1C(=O)C[C@H](C(=O)N2CCC[C@H](c3ncc(Br)cn3)C2)[C@H]1c1cccc(F)c1 ZINC001303515189 1068049155 /nfs/dbraw/zinc/04/91/55/1068049155.db2.gz PKCCHHCOPNPPMY-UCLAIMLFSA-N 0 0 461.335 3.304 20 0 JGADRN C[C@H]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCCS(C)(=O)=O ZINC001305007167 1068049274 /nfs/dbraw/zinc/04/92/74/1068049274.db2.gz WDXHZYHJVYMSTF-CADBVGFASA-N 0 0 483.679 3.356 20 0 JGADRN CCOC(=O)[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)Cc1ccccc1OC(F)F ZINC001303514308 1068049355 /nfs/dbraw/zinc/04/93/55/1068049355.db2.gz LOLWFBKAMOPHLN-INIZCTEOSA-N 0 0 456.486 3.135 20 0 JGADRN C[C@@H]1CCCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001305008151 1068050025 /nfs/dbraw/zinc/05/00/25/1068050025.db2.gz LZUFRBMDLUKAIJ-HOYKHHGWSA-N 0 0 460.644 3.419 20 0 JGADRN CC(C)OC1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC001303516727 1068050055 /nfs/dbraw/zinc/05/00/55/1068050055.db2.gz AECQABUGPIMYGK-QHCPKHFHSA-N 0 0 451.681 3.177 20 0 JGADRN CC(C)Oc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001303516634 1068050129 /nfs/dbraw/zinc/05/01/29/1068050129.db2.gz GBPCVUGVTHFBDL-RTBURBONSA-N 0 0 472.590 3.464 20 0 JGADRN C[C@H]1CCCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001305008153 1068050150 /nfs/dbraw/zinc/05/01/50/1068050150.db2.gz LZUFRBMDLUKAIJ-MHECFPHRSA-N 0 0 460.644 3.419 20 0 JGADRN C[C@H]1CCCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCc2ccccc2)C1 ZINC001305009094 1068050548 /nfs/dbraw/zinc/05/05/48/1068050548.db2.gz GURUMXHFQWLACC-PZJWPPBQSA-N 0 0 493.699 3.171 20 0 JGADRN CC(C)Oc1ccc(Cn2c(N3CCC[C@H](N4CCCS4(=O)=O)C3)nnc2C(C)(C)C)cc1 ZINC001303517529 1068050833 /nfs/dbraw/zinc/05/08/33/1068050833.db2.gz PJSZGBJXEHHTAO-FQEVSTJZSA-N 0 0 475.659 3.415 20 0 JGADRN C[C@@H]1CCCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCOC2)C1 ZINC001305009903 1068050877 /nfs/dbraw/zinc/05/08/77/1068050877.db2.gz LQIHJMQSIRNZIM-HOYKHHGWSA-N 0 0 463.623 3.170 20 0 JGADRN C[C@@H]1CCCCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001305009757 1068050910 /nfs/dbraw/zinc/05/09/10/1068050910.db2.gz FNKGTGMXZVJNKW-CEXWTWQISA-N 0 0 459.557 3.452 20 0 JGADRN CC(C)Oc1ccc(Cn2c(N3CCN([C@@H](C)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001303517262 1068050913 /nfs/dbraw/zinc/05/09/13/1068050913.db2.gz NBADQNPYMMXVKI-IBGZPJMESA-N 0 0 468.646 3.200 20 0 JGADRN CC(C)Oc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCCO[C@@H](C)C2)cn1 ZINC001303517541 1068051104 /nfs/dbraw/zinc/05/11/04/1068051104.db2.gz PVHJIDXZKWMGDG-KRWDZBQOSA-N 0 0 470.599 3.115 20 0 JGADRN CC(C)Oc1cccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001303517715 1068051166 /nfs/dbraw/zinc/05/11/66/1068051166.db2.gz XRMWAQRMNJZUQP-PSTIOWGYSA-N 0 0 496.699 3.151 20 0 JGADRN CC(C)Oc1ccc(Cn2c(N3CCC(N4CCCNC4=O)CC3)nnc2C(C)(C)C)cn1 ZINC001303517968 1068051529 /nfs/dbraw/zinc/05/15/29/1068051529.db2.gz RMRMCFUYFSYJLF-UHFFFAOYSA-N 0 0 455.607 3.190 20 0 JGADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1CCc1nc2c(s1)CCCC2 ZINC001305011051 1068051725 /nfs/dbraw/zinc/05/17/25/1068051725.db2.gz CHOVODNFQWOQLL-HZPDHXFCSA-N 0 0 466.677 3.093 20 0 JGADRN CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305011221 1068051737 /nfs/dbraw/zinc/05/17/37/1068051737.db2.gz WWTUONDNZFLKKI-CEXWTWQISA-N 0 0 483.679 3.356 20 0 JGADRN C[C@@H]1CCCC[C@H]1OCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C ZINC001305011076 1068051748 /nfs/dbraw/zinc/05/17/48/1068051748.db2.gz DDTOECLXDSQORF-TZIWHRDSSA-N 0 0 461.651 3.246 20 0 JGADRN CC(C)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001305011796 1068052038 /nfs/dbraw/zinc/05/20/38/1068052038.db2.gz GVODVLMRISIBKF-IBGZPJMESA-N 0 0 452.603 3.213 20 0 JGADRN CC(C)O[C@@]1(c2nnc(N3CCCC[C@@H](C)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCOC1 ZINC001305011513 1068052051 /nfs/dbraw/zinc/05/20/51/1068052051.db2.gz GCSICQPEDKUTDZ-KCPMXOJXSA-N 0 0 487.620 3.428 20 0 JGADRN CC(C)Oc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)C1 ZINC001303519231 1068052742 /nfs/dbraw/zinc/05/27/42/1068052742.db2.gz XDOJUOFTUXLWRR-DENIHFKCSA-N 0 0 455.603 3.311 20 0 JGADRN C[C@H]1CCCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)C1 ZINC001305012099 1068052664 /nfs/dbraw/zinc/05/26/64/1068052664.db2.gz JCKSOWZCCAYQMR-KRWDZBQOSA-N 0 0 484.988 3.397 20 0 JGADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@H](C)C2)n1CC1(c2ccccc2)CCOCC1 ZINC001305012627 1068052914 /nfs/dbraw/zinc/05/29/14/1068052914.db2.gz NRXLEUDSSLTNLM-PMACEKPBSA-N 0 0 475.659 3.263 20 0 JGADRN 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Cc1ccc(OC(F)F)c(Cn2c(N3CCC[C@H](CNS(C)(=O)=O)C3)nnc2C(C)(C)C)c1 ZINC001492302604 1065385989 /nfs/dbraw/zinc/38/59/89/1065385989.db2.gz KAIWUPPIPFWIHD-MRXNPFEDSA-N 0 0 485.601 3.299 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](C(N)=O)C2)c1 ZINC001492302789 1065386605 /nfs/dbraw/zinc/38/66/05/1065386605.db2.gz NEAFFBKSSJACNY-MRXNPFEDSA-N 0 0 456.497 3.308 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001492303406 1065386638 /nfs/dbraw/zinc/38/66/38/1065386638.db2.gz QUUXKNVXFUYECM-UHFFFAOYSA-N 0 0 487.555 3.331 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)CC2)c1 ZINC001492303956 1065387233 /nfs/dbraw/zinc/38/72/33/1065387233.db2.gz LVISGSIWXAVFRK-HNNXBMFYSA-N 0 0 457.547 3.083 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc(C(C)(C)C)n3CC3(C(N)=O)CCOCC3)CC2)cc1 ZINC001492304249 1065388072 /nfs/dbraw/zinc/38/80/72/1065388072.db2.gz WUJPIPXKBADBCZ-UHFFFAOYSA-N 0 0 455.603 3.214 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCN(CC(F)F)CC2)cc1 ZINC001492305953 1065388118 /nfs/dbraw/zinc/38/81/18/1065388118.db2.gz OTAZLWNRIHPHFN-LJQANCHMSA-N 0 0 456.541 3.427 20 0 JGADRN Cc1ccc(OC(F)F)c(Cn2c(C(C)C)nnc2N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC001492306041 1065388201 /nfs/dbraw/zinc/38/82/01/1065388201.db2.gz QADHHDXNEUNSJB-UHFFFAOYSA-N 0 0 485.539 3.180 20 0 JGADRN Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2cc(C)ccc2OC(F)F)o1 ZINC001492308163 1065388740 /nfs/dbraw/zinc/38/87/40/1065388740.db2.gz YQNAJBZVXNOVHQ-UHFFFAOYSA-N 0 0 452.483 3.039 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H]2CC=CCO2)cc1C ZINC001492310534 1065389911 /nfs/dbraw/zinc/38/99/11/1065389911.db2.gz FXGIHHPKETVRJW-SBHAEUEKSA-N 0 0 462.616 3.077 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001492310641 1065389919 /nfs/dbraw/zinc/38/99/19/1065389919.db2.gz HRGCVCLNAZQFAQ-KRWDZBQOSA-N 0 0 463.629 3.316 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCc2cccnc2)cc1C ZINC001492311520 1065390580 /nfs/dbraw/zinc/39/05/80/1065390580.db2.gz NADZUENTNCCPGG-PMACEKPBSA-N 0 0 471.627 3.369 20 0 JGADRN Cc1ccc(OC2CCN(c3nnc(Cc4ccncc4)n3CCCC(=O)N(C)C)CC2)cc1 ZINC001492311927 1065391367 /nfs/dbraw/zinc/39/13/67/1065391367.db2.gz OZJYABIQGSCLOV-UHFFFAOYSA-N 0 0 462.598 3.489 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)cc1C ZINC001492317189 1065392889 /nfs/dbraw/zinc/39/28/89/1065392889.db2.gz LMPOJZDMOOADPV-GOSISDBHSA-N 0 0 476.002 3.194 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 ZINC001492316647 1065392956 /nfs/dbraw/zinc/39/29/56/1065392956.db2.gz KBRNYBDWKHNTEQ-UXHICEINSA-N 0 0 476.643 3.120 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCCCO2)cc1C ZINC001492317884 1065393653 /nfs/dbraw/zinc/39/36/53/1065393653.db2.gz RCQBZWPVFCUTMZ-VQTJNVASSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)cc1 ZINC001492320528 1065394511 /nfs/dbraw/zinc/39/45/11/1065394511.db2.gz LTFZVFLDZYEWTG-UHFFFAOYSA-N 0 0 488.596 3.145 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@H]2CC(F)(F)CO2)cc1 ZINC001492319541 1065394695 /nfs/dbraw/zinc/39/46/95/1065394695.db2.gz CPVHYYUAEDLDGF-OAQYLSRUSA-N 0 0 493.599 3.384 20 0 JGADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C)cc3)n2CCN2CCCS2(=O)=O)s1 ZINC001492323637 1065396534 /nfs/dbraw/zinc/39/65/34/1065396534.db2.gz SWEDDOSUADDLCF-UHFFFAOYSA-N 0 0 475.640 3.207 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2Cc2nccn2C(F)F)cc1C ZINC001492323489 1065396575 /nfs/dbraw/zinc/39/65/75/1065396575.db2.gz RCIOLAQUXKYOEU-UHFFFAOYSA-N 0 0 456.501 3.484 20 0 JGADRN Cc1cc(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@H](C)CN2CCOCC2)no1 ZINC001492324726 1065397553 /nfs/dbraw/zinc/39/75/53/1065397553.db2.gz CZPPBZWCLNGABP-LJQANCHMSA-N 0 0 454.575 3.067 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC2(S(C)(=O)=O)CC2)cc1C ZINC001492325451 1065397643 /nfs/dbraw/zinc/39/76/43/1065397643.db2.gz MKPNIZHRURZFKD-UHFFFAOYSA-N 0 0 493.033 3.074 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2CCN(C)CC(F)(F)F)cc1C ZINC001492325484 1065397655 /nfs/dbraw/zinc/39/76/55/1065397655.db2.gz NCQBXOFYDRXNOE-UHFFFAOYSA-N 0 0 463.508 3.394 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@H]2CCCCO2)cc1 ZINC001492325765 1065398137 /nfs/dbraw/zinc/39/81/37/1065398137.db2.gz RRBDJMGAEIMNSE-GOSISDBHSA-N 0 0 461.517 3.228 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2C[C@H](C(C)C)N2CCOCC2)cc1C ZINC001492326030 1065398198 /nfs/dbraw/zinc/39/81/98/1065398198.db2.gz VJQYXTVICAFQAK-HSZRJFAPSA-N 0 0 468.602 3.455 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CC2([S@@](C)=O)CCC2)cc1 ZINC001492330070 1065400992 /nfs/dbraw/zinc/40/09/92/1065400992.db2.gz KQMOHSMANIKDHZ-MGBGTMOVSA-N 0 0 476.643 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CCC(=O)N2CCCCC2)cc1 ZINC001492331498 1065401557 /nfs/dbraw/zinc/40/15/57/1065401557.db2.gz RZBNOEHWEJOLIQ-UHFFFAOYSA-N 0 0 455.603 3.431 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1C ZINC001492331413 1065401731 /nfs/dbraw/zinc/40/17/31/1065401731.db2.gz QYTAIKZPDBYVEF-FQEVSTJZSA-N 0 0 454.575 3.089 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC2CCS(=O)(=O)CC2)cc1C ZINC001492337152 1065404286 /nfs/dbraw/zinc/40/42/86/1065404286.db2.gz GJCJFOCFMLCFNG-IBGZPJMESA-N 0 0 476.643 3.302 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2cc(C(C)(C)C)no2)cc1 ZINC001492336667 1065404305 /nfs/dbraw/zinc/40/43/05/1065404305.db2.gz DCHMMEZXGOIVNG-KRWDZBQOSA-N 0 0 452.559 3.166 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@](C)(O)c2ccsc2)cc1C ZINC001492337985 1065406038 /nfs/dbraw/zinc/40/60/38/1065406038.db2.gz JGRGUXKFYOIBDF-MHECFPHRSA-N 0 0 469.611 3.110 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCCC2CCOCC2)cc1C ZINC001492338898 1065406912 /nfs/dbraw/zinc/40/69/12/1065406912.db2.gz SDGINMLETDENDR-FQEVSTJZSA-N 0 0 455.603 3.348 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCOCCS(C)(=O)=O)cc1 ZINC001492339452 1065407732 /nfs/dbraw/zinc/40/77/32/1065407732.db2.gz NZNVZBPPJBIUON-LJQANCHMSA-N 0 0 464.632 3.099 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCOCC3)C2)cc1 ZINC001492294536 1065409761 /nfs/dbraw/zinc/40/97/61/1065409761.db2.gz IYKKRQSEXXHUNX-VQTJNVASSA-N 0 0 491.658 3.061 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CCC(N)=O)CC2)cc1 ZINC001492294835 1065409767 /nfs/dbraw/zinc/40/97/67/1065409767.db2.gz JXOWYOQYFPZRCT-TZIWHRDSSA-N 0 0 455.603 3.430 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 ZINC001492294933 1065409813 /nfs/dbraw/zinc/40/98/13/1065409813.db2.gz KVXUIMBYIKGTPH-IRXDYDNUSA-N 0 0 454.962 3.436 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCOCC3)C2)cc1 ZINC001492294533 1065409865 /nfs/dbraw/zinc/40/98/65/1065409865.db2.gz IYKKRQSEXXHUNX-UXHICEINSA-N 0 0 491.658 3.061 20 0 JGADRN Cc1ccc(O[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001492294948 1065410333 /nfs/dbraw/zinc/41/03/33/1065410333.db2.gz LBJZKSFGTNAVAC-LJQANCHMSA-N 0 0 465.602 3.149 20 0 JGADRN Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(F)(F)F)cc1 ZINC001492295616 1065411439 /nfs/dbraw/zinc/41/14/39/1065411439.db2.gz OVBLDJYSGWBGIX-JKSUJKDBSA-N 0 0 460.522 3.345 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(Cc4cccs4)CC3)n2CC(=O)NC(C)C)cc1 ZINC001492391002 1065412885 /nfs/dbraw/zinc/41/28/85/1065412885.db2.gz JIPFCDXJTPEOLX-UHFFFAOYSA-N 0 0 468.627 3.074 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCN2CCCS2(=O)=O)cc1 ZINC001492351120 1065412957 /nfs/dbraw/zinc/41/29/57/1065412957.db2.gz BKDOXHBAURKOMZ-LJQANCHMSA-N 0 0 461.632 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCSCC(F)(F)F)cc1 ZINC001492351053 1065413014 /nfs/dbraw/zinc/41/30/14/1065413014.db2.gz AYSNIRRGNFBECS-LJQANCHMSA-N 0 0 457.522 3.163 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492351970 1065414008 /nfs/dbraw/zinc/41/40/08/1065414008.db2.gz HVSUVNYQVCSYRP-LJQANCHMSA-N 0 0 465.602 3.055 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](c4cnn(C)c4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492351969 1065414024 /nfs/dbraw/zinc/41/40/24/1065414024.db2.gz HVSUVNYQVCSYRP-IBGZPJMESA-N 0 0 465.602 3.055 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2CCCOC(F)F)cc1C ZINC001492352362 1065414633 /nfs/dbraw/zinc/41/46/33/1065414633.db2.gz LVKDAXSHVGHDFA-XMMPIXPASA-N 0 0 479.572 3.404 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC001492353436 1065415717 /nfs/dbraw/zinc/41/57/17/1065415717.db2.gz ZFPIHAYIWHYPAS-HWHXTQLESA-N 0 0 455.603 3.463 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2cccc(Br)n2)cc1 ZINC001492353395 1065415802 /nfs/dbraw/zinc/41/58/02/1065415802.db2.gz YGPKQTDNPAALJH-JOCHJYFZSA-N 0 0 485.386 3.073 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC2(O)CC2)cc1 ZINC001492353672 1065416222 /nfs/dbraw/zinc/41/62/22/1065416222.db2.gz IBUMBNFIJAZYJO-SFHVURJKSA-N 0 0 457.575 3.041 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCCn2cccn2)cc1 ZINC001492353657 1065416350 /nfs/dbraw/zinc/41/63/50/1065416350.db2.gz HKIOGVCXGPMUBA-UHFFFAOYSA-N 0 0 465.602 3.147 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)cc1C ZINC001492359213 1065420740 /nfs/dbraw/zinc/42/07/40/1065420740.db2.gz HBPXGLDSCPJZPN-BCHFMIIMSA-N 0 0 498.628 3.056 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCSC(C)C)cc1C ZINC001492359698 1065421408 /nfs/dbraw/zinc/42/14/08/1065421408.db2.gz MCDDTGVRJGWBLH-UHFFFAOYSA-N 0 0 481.688 3.134 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCOC2)cc1C ZINC001492360472 1065422346 /nfs/dbraw/zinc/42/23/46/1065422346.db2.gz UDMOCJUGENLMFL-QGZVFWFLSA-N 0 0 454.493 3.404 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(N4CCCCC4=O)CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492360664 1065423249 /nfs/dbraw/zinc/42/32/49/1065423249.db2.gz ZNBQZMHRMPBDGD-UHFFFAOYSA-N 0 0 496.656 3.452 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2nc(C(C)(C)C)cs2)cc1 ZINC001492362127 1065423264 /nfs/dbraw/zinc/42/32/64/1065423264.db2.gz ASWWXPXNEQZDME-UHFFFAOYSA-N 0 0 498.653 3.439 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCNC(=O)c2ccn[nH]2)cc1C ZINC001492362728 1065424102 /nfs/dbraw/zinc/42/41/02/1065424102.db2.gz GENYCUMUUQZQGT-UHFFFAOYSA-N 0 0 495.628 3.411 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCCSC2)cc1C ZINC001492362595 1065424119 /nfs/dbraw/zinc/42/41/19/1065424119.db2.gz DEHIMLGYJMEJAS-ICSRJNTNSA-N 0 0 464.657 3.240 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CCSCCCO)cc1C ZINC001492364202 1065426568 /nfs/dbraw/zinc/42/65/68/1065426568.db2.gz TYPOVDVXOOVZLR-UHFFFAOYSA-N 0 0 487.670 3.038 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC001492368748 1065428837 /nfs/dbraw/zinc/42/88/37/1065428837.db2.gz GSNPOIDMHVAHCG-FQEVSTJZSA-N 0 0 475.659 3.382 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492369616 1065429713 /nfs/dbraw/zinc/42/97/13/1065429713.db2.gz PDDGWKNPPFYGRY-CLOONOSVSA-N 0 0 455.603 3.068 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@]2(C)CCCO2)cc1C ZINC001492369812 1065430315 /nfs/dbraw/zinc/43/03/15/1065430315.db2.gz CFWCLKPAVXVUQZ-NZQKXSOJSA-N 0 0 462.616 3.056 20 0 JGADRN Cc1nc(C[C@H]2CCCN(c3nnc(COc4ccc(C)cc4)n3CCCC(=O)N(C)C)C2)no1 ZINC001492369976 1065431170 /nfs/dbraw/zinc/43/11/70/1065431170.db2.gz DQODYUUTFJIZOD-HXUWFJFHSA-N 0 0 481.601 3.184 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2C[C@@](C)(O)CCC(C)C)cc1C ZINC001492370132 1065431864 /nfs/dbraw/zinc/43/18/64/1065431864.db2.gz RXMWWIGJYBQDFQ-MHZLTWQESA-N 0 0 494.640 3.318 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)n2Cc2ccoc2)cc1C ZINC001492370228 1065431920 /nfs/dbraw/zinc/43/19/20/1065431920.db2.gz GIBHDDFKZMAIHP-HXUWFJFHSA-N 0 0 487.626 3.223 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2C[C@](C)(O)CCC(C)C)cc1C ZINC001492370131 1065431958 /nfs/dbraw/zinc/43/19/58/1065431958.db2.gz RXMWWIGJYBQDFQ-HHHXNRCGSA-N 0 0 494.640 3.318 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CC[C@H](F)C2)cc1 ZINC001492370345 1065432879 /nfs/dbraw/zinc/43/28/79/1065432879.db2.gz INTLKAGLKJPSOG-BJLQDIEVSA-N 0 0 450.580 3.317 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@]2(C)COCCO2)cc1 ZINC001492371431 1065435999 /nfs/dbraw/zinc/43/59/99/1065435999.db2.gz RCGIYYHKPYPZTN-KDYSTLNUSA-N 0 0 499.656 3.350 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](n4cnc(C(N)=O)n4)C3)n2CCC(C)C)cc1C ZINC001492371730 1065436038 /nfs/dbraw/zinc/43/60/38/1065436038.db2.gz TUAXNNZQJSQYJH-IBGZPJMESA-N 0 0 466.590 3.052 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[C@@H]2COCCO2)cc1 ZINC001492372047 1065436527 /nfs/dbraw/zinc/43/65/27/1065436527.db2.gz VYYGEQSMVIVCNY-RBBKRZOGSA-N 0 0 485.629 3.102 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H]2COCCO2)cc1C ZINC001492372210 1065436628 /nfs/dbraw/zinc/43/66/28/1065436628.db2.gz XJIKQBPZEFMJML-RBBKRZOGSA-N 0 0 485.629 3.020 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCCSC2)cc1C ZINC001492377185 1065440691 /nfs/dbraw/zinc/44/06/91/1065440691.db2.gz MBQXCXSHGCPLEA-FQEVSTJZSA-N 0 0 493.699 3.089 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCCN(C(C)C)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1C ZINC001492377498 1065441508 /nfs/dbraw/zinc/44/15/08/1065441508.db2.gz QYLMWLGIUHPZLS-HSZRJFAPSA-N 0 0 489.686 3.362 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001492379407 1065443770 /nfs/dbraw/zinc/44/37/70/1065443770.db2.gz RBEHKSVBZUPIGA-FPOVZHCZSA-N 0 0 461.632 3.262 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC001492382794 1065445246 /nfs/dbraw/zinc/44/52/46/1065445246.db2.gz DEFAUBWJTHYAPB-XXBNENTESA-N 0 0 455.603 3.285 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H]2CCC[C@H](O)C2)cc1C ZINC001492382898 1065445366 /nfs/dbraw/zinc/44/53/66/1065445366.db2.gz FAHYWQJTPBJHCL-VXKWHMMOSA-N 0 0 469.630 3.330 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1C ZINC001492383034 1065446302 /nfs/dbraw/zinc/44/63/02/1065446302.db2.gz IYXYWKCPHBMGQR-AREMUKBSSA-N 0 0 498.628 3.009 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2Cc2cccc(C(F)(F)F)n2)cc1C ZINC001492383281 1065447991 /nfs/dbraw/zinc/44/79/91/1065447991.db2.gz QKDKQPSQJOIGRR-UHFFFAOYSA-N 0 0 474.487 3.214 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](C)c2nccs2)cc1C ZINC001492383764 1065448851 /nfs/dbraw/zinc/44/88/51/1065448851.db2.gz XMOQWYVFQPOCSS-QZTJIDSGSA-N 0 0 454.600 3.401 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](C)c2nccs2)cc1C ZINC001492383765 1065449581 /nfs/dbraw/zinc/44/95/81/1065449581.db2.gz XMOQWYVFQPOCSS-ROUUACIJSA-N 0 0 454.600 3.401 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@](C)(O)C2CC2)cc1 ZINC001492384097 1065450337 /nfs/dbraw/zinc/45/03/37/1065450337.db2.gz DILCNVIHTOYXTR-JTSKRJEESA-N 0 0 467.536 3.399 20 0 JGADRN Cc1nccn1CCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001492384881 1065452113 /nfs/dbraw/zinc/45/21/13/1065452113.db2.gz LNDGKKWPBWOSFM-NRFANRHFSA-N 0 0 479.629 3.454 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCSCC(F)(F)F)cc1C ZINC001492385688 1065453909 /nfs/dbraw/zinc/45/39/09/1065453909.db2.gz UQTHGLBBLOIYKO-INIZCTEOSA-N 0 0 471.549 3.436 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2C[C@H]2CCCCC2(F)F)cc1 ZINC001492385640 1065453946 /nfs/dbraw/zinc/45/39/46/1065453946.db2.gz SYUCIDONOWDWBN-HXUWFJFHSA-N 0 0 490.599 3.201 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCc2cn[nH]c2)cc1 ZINC001492386084 1065454716 /nfs/dbraw/zinc/45/47/16/1065454716.db2.gz XMGDDXPIYOIXJB-QGZVFWFLSA-N 0 0 463.508 3.204 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@]4(CCOC4)OC(C)(C)C3)n2CCCC(=O)N(C)C)cc1C ZINC001492341105 1065457214 /nfs/dbraw/zinc/45/72/14/1065457214.db2.gz ZMZCZLOKIDXLSH-SANMLTNESA-N 0 0 485.629 3.117 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CCC(=O)N(C)C)cc1C ZINC001492344167 1065458136 /nfs/dbraw/zinc/45/81/36/1065458136.db2.gz KEZVOBLNMDNHPP-FQEVSTJZSA-N 0 0 455.603 3.084 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001492344744 1065458961 /nfs/dbraw/zinc/45/89/61/1065458961.db2.gz PRPRRDJMZOLHEZ-SFHVURJKSA-N 0 0 495.546 3.284 20 0 JGADRN Cc1ccc(OCc2nnc(N3Cc4ccoc4CC(C)(C)C3)n2CCCNS(C)(=O)=O)cc1 ZINC001492344965 1065459641 /nfs/dbraw/zinc/45/96/41/1065459641.db2.gz SIQHCAYBHLCTTQ-UHFFFAOYSA-N 0 0 487.626 3.287 20 0 JGADRN Cc1ccc(OCc2nnc(N3C[C@@H](C4CC4)O[C@@H](C)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492345375 1065460403 /nfs/dbraw/zinc/46/04/03/1065460403.db2.gz UTSBLNCKORXUES-RXVVDRJESA-N 0 0 455.603 3.474 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1C ZINC001492346995 1065461807 /nfs/dbraw/zinc/46/18/07/1065461807.db2.gz OMBMUIDFZZUCCC-HHHXNRCGSA-N 0 0 496.656 3.035 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCC(=O)N(C)C)cc1C ZINC001492347562 1065462798 /nfs/dbraw/zinc/46/27/98/1065462798.db2.gz VVSFQCDZQPPALH-HSZRJFAPSA-N 0 0 497.562 3.482 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCNS(C)(=O)=O)cc1C ZINC001492394735 1065466927 /nfs/dbraw/zinc/46/69/27/1065466927.db2.gz QAYAWWXNSKGHQM-DEOSSOPVSA-N 0 0 493.674 3.055 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC2(C(N)=O)CCOCC2)cc1C ZINC001492394664 1065466954 /nfs/dbraw/zinc/46/69/54/1065466954.db2.gz PSPCDQKMUYCGIL-SANMLTNESA-N 0 0 499.656 3.397 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCC(=O)NC2CC2)cc1C ZINC001492395865 1065467788 /nfs/dbraw/zinc/46/77/88/1065467788.db2.gz WGVXEJSKTZIOCH-JOCHJYFZSA-N 0 0 455.603 3.394 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCNC(=O)C2CCC2)cc1 ZINC001492395446 1065467815 /nfs/dbraw/zinc/46/78/15/1065467815.db2.gz SPENCHGCYURCSZ-IBGZPJMESA-N 0 0 455.603 3.476 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCO[C@@H]2CCOC2)cc1C ZINC001492396382 1065468469 /nfs/dbraw/zinc/46/84/69/1065468469.db2.gz ZQDCDVGOYKXVFZ-WOJBJXKFSA-N 0 0 484.519 3.437 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCO[C@@H]2CCOC2)cc1C ZINC001492396379 1065468517 /nfs/dbraw/zinc/46/85/17/1065468517.db2.gz ZQDCDVGOYKXVFZ-UXHICEINSA-N 0 0 484.519 3.437 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001492400370 1065469219 /nfs/dbraw/zinc/46/92/19/1065469219.db2.gz IAAULGUOJFAQCG-OAQYLSRUSA-N 0 0 489.617 3.320 20 0 JGADRN Cc1ccc(OCc2nnc(N3CCSC(C)(C)C3)n2CC2(S(C)(=O)=O)CCC2)cc1 ZINC001492401806 1065470857 /nfs/dbraw/zinc/47/08/57/1065470857.db2.gz MRTUTZFZSGEJMX-UHFFFAOYSA-N 0 0 464.657 3.465 20 0 JGADRN Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCCC(F)(F)F)cc1 ZINC001492401842 1065471078 /nfs/dbraw/zinc/47/10/78/1065471078.db2.gz NFAFNGFQTXAZOG-AEFFLSMTSA-N 0 0 451.493 3.470 20 0 JGADRN Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@](C)(c3cnn(C)c3)C2)cc1 ZINC001492407494 1065473355 /nfs/dbraw/zinc/47/33/55/1065473355.db2.gz HEGHSGBINBAMSN-SANMLTNESA-N 0 0 495.628 3.069 20 0 JGADRN Cc1nc([C@@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCOC(C)(C)C)CCO2)no1 ZINC001492402949 1065473484 /nfs/dbraw/zinc/47/34/84/1065473484.db2.gz XRWQKYNEWYULOV-IBGZPJMESA-N 0 0 456.547 3.250 20 0 JGADRN Cc1ccc(OCCCCn2c(CC(C)C)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC001492411532 1065475331 /nfs/dbraw/zinc/47/53/31/1065475331.db2.gz HZRRHVQIVGEYJA-AREMUKBSSA-N 0 0 482.629 3.459 20 0 JGADRN Cc1ccc(OCCCCn2c(C3CC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC001492412558 1065476294 /nfs/dbraw/zinc/47/62/94/1065476294.db2.gz SKOHXVWEASFGRD-UHFFFAOYSA-N 0 0 461.632 3.183 20 0 JGADRN Cc1ccc(OCCCCn2c(CN3CCCC3=O)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 ZINC001492412614 1065476313 /nfs/dbraw/zinc/47/63/13/1065476313.db2.gz UTTIIRRFFBPNGC-UHFFFAOYSA-N 0 0 496.656 3.263 20 0 JGADRN Cc1ccc(OCCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC001492417960 1065477778 /nfs/dbraw/zinc/47/77/78/1065477778.db2.gz XHEGMQLSABGZCI-NRFANRHFSA-N 0 0 498.653 3.225 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@H](CO)O2)cc1 ZINC001492418089 1065477823 /nfs/dbraw/zinc/47/78/23/1065477823.db2.gz ASDBVQOSLDKCFX-RBUKOAKNSA-N 0 0 490.402 3.399 20 0 JGADRN Cc1ccc(OCCCn2c(CN3CCCC3=O)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001492418350 1065478708 /nfs/dbraw/zinc/47/87/08/1065478708.db2.gz HARZXHMFTITSEW-HXUWFJFHSA-N 0 0 498.628 3.281 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001492418792 1065479384 /nfs/dbraw/zinc/47/93/84/1065479384.db2.gz MECKHXFLBROREO-SBUREZEXSA-N 0 0 457.962 3.357 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CCN(C)C(=O)OC(C)(C)C)cc1 ZINC001492419342 1065480461 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FXHVXQBLVZIBCV-LEWJYISDSA-N 0 0 455.603 3.447 20 0 JGADRN Cc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC001492424951 1065483861 /nfs/dbraw/zinc/48/38/61/1065483861.db2.gz ORSXCZZPXPMBTL-QIJZPMMNSA-N 0 0 461.632 3.291 20 0 JGADRN Cc1ccc(OCCn2c(-c3cccn3C)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001492425304 1065484453 /nfs/dbraw/zinc/48/44/53/1065484453.db2.gz XJXRLWAGUPCEMY-OAQYLSRUSA-N 0 0 496.612 3.401 20 0 JGADRN Cc1ccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(c3nccs3)CC2)cc1 ZINC001492425386 1065484654 /nfs/dbraw/zinc/48/46/54/1065484654.db2.gz ZKZUGSGTHGDBTA-QGZVFWFLSA-N 0 0 490.655 3.116 20 0 JGADRN Cc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC001492425267 1065484694 /nfs/dbraw/zinc/48/46/94/1065484694.db2.gz WTJQGVFUTFWSHO-BBWFWOEESA-N 0 0 471.574 3.003 20 0 JGADRN Cc1ccc(OCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC001492426979 1065485374 /nfs/dbraw/zinc/48/53/74/1065485374.db2.gz 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Cc1ccc(SCc2nnc(N3CCOC4(CCCCC4)C3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001492469109 1065518055 /nfs/dbraw/zinc/51/80/55/1065518055.db2.gz ZPRFSEHKABHVQA-UHFFFAOYSA-N 0 0 493.699 3.310 20 0 JGADRN Cc1ccc(SCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC001492469184 1065518067 /nfs/dbraw/zinc/51/80/67/1065518067.db2.gz BPYRTMXWMHDNCL-HZPDHXFCSA-N 0 0 455.506 3.097 20 0 JGADRN Cc1ccc(SCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC001492469741 1065519058 /nfs/dbraw/zinc/51/90/58/1065519058.db2.gz SKRUOTVJTNTVIJ-SJLPKXTDSA-N 0 0 482.576 3.403 20 0 JGADRN Cc1ccc(SCCn2c(-c3cccn3C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC001492469702 1065519130 /nfs/dbraw/zinc/51/91/30/1065519130.db2.gz RWXWQPLTGUCCMT-UHFFFAOYSA-N 0 0 488.683 3.245 20 0 JGADRN Cc1ccc(SCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCOCC2)cc1 ZINC001492469918 1065519620 /nfs/dbraw/zinc/51/96/20/1065519620.db2.gz VWZLCHLZQQPIHC-IBGZPJMESA-N 0 0 464.657 3.144 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCSc1ccc(C)cc1 ZINC001492470284 1065520147 /nfs/dbraw/zinc/52/01/47/1065520147.db2.gz ZPLKCSXLLUHCNM-FQEVSTJZSA-N 0 0 453.616 3.317 20 0 JGADRN Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cccc(C)c1 ZINC001492471112 1065521198 /nfs/dbraw/zinc/52/11/98/1065521198.db2.gz FXIMPSZSINALJH-FXAWDEMLSA-N 0 0 456.591 3.064 20 0 JGADRN Cc1cccc(C(=O)N2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CC[C@@H](F)C3)CC2)c1 ZINC001492471240 1065521657 /nfs/dbraw/zinc/52/16/57/1065521657.db2.gz LMSFJKMWWYNWML-TZIWHRDSSA-N 0 0 470.593 3.215 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H]2CC=CCC2)c1 ZINC001492471658 1065522758 /nfs/dbraw/zinc/52/27/58/1065522758.db2.gz RCTKLPZXRBDCQZ-FQEVSTJZSA-N 0 0 473.581 3.456 20 0 JGADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccn2C)n1CCNC(=O)c1cccc(C)c1 ZINC001492471639 1065522855 /nfs/dbraw/zinc/52/28/55/1065522855.db2.gz QTKNTRQSSOCAMJ-UHFFFAOYSA-N 0 0 460.586 3.009 20 0 JGADRN Cc1cccc(C(=O)N2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCSC(F)(F)F)CC2)c1 ZINC001492471870 1065523136 /nfs/dbraw/zinc/52/31/36/1065523136.db2.gz WBVDGSBWSLRFOA-KRWDZBQOSA-N 0 0 496.559 3.143 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(CC(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)c1 ZINC001492477995 1065523730 /nfs/dbraw/zinc/52/37/30/1065523730.db2.gz BNCTYGDXBIZOLH-UHFFFAOYSA-N 0 0 483.686 3.218 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccco2)c1 ZINC001492478234 1065524188 /nfs/dbraw/zinc/52/41/88/1065524188.db2.gz GTYNSDCHBYEYML-UHFFFAOYSA-N 0 0 478.578 3.237 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001492478441 1065524379 /nfs/dbraw/zinc/52/43/79/1065524379.db2.gz MJDIGVPEXIRRCK-IBGZPJMESA-N 0 0 482.629 3.415 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(C3CC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC001492478544 1065524854 /nfs/dbraw/zinc/52/48/54/1065524854.db2.gz OUFFELVDPQFPRO-SFHVURJKSA-N 0 0 451.493 3.442 20 0 JGADRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cc(S(N)(=O)=O)ccc1C ZINC001300795125 1065525399 /nfs/dbraw/zinc/52/53/99/1065525399.db2.gz RUIHBXBURBLUOY-KRWDZBQOSA-N 0 0 453.358 3.391 20 0 JGADRN Cc1cccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N2CCS[C@H](C)[C@H]2C)c1 ZINC001492478725 1065525462 /nfs/dbraw/zinc/52/54/62/1065525462.db2.gz UGSJFBPHVFMWJH-RTBURBONSA-N 0 0 450.612 3.333 20 0 JGADRN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cc(S(N)(=O)=O)ccc1C ZINC001300795126 1065525503 /nfs/dbraw/zinc/52/55/03/1065525503.db2.gz RUIHBXBURBLUOY-QGZVFWFLSA-N 0 0 453.358 3.391 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncccc2N(C)C)CC1(C)C ZINC001300795648 1065525829 /nfs/dbraw/zinc/52/58/29/1065525829.db2.gz PDBVWDYIADPBOL-GOSISDBHSA-N 0 0 474.407 3.406 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@H](C)C2)CC[C@H]1C ZINC001300796033 1065526305 /nfs/dbraw/zinc/52/63/05/1065526305.db2.gz QQPHXQBZDIMOMY-NEYJZJCJSA-N 0 0 462.616 3.025 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN(C)CC(F)(F)F)CC[C@@H]1C ZINC001300795796 1065526344 /nfs/dbraw/zinc/52/63/44/1065526344.db2.gz IUISILNFRDJGEP-UEXGIBASSA-N 0 0 477.572 3.064 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C(N)=O)cc2)CC[C@H]1C ZINC001300796611 1065528071 /nfs/dbraw/zinc/52/80/71/1065528071.db2.gz SUOOLNRVXZQPRY-KUHUBIRLSA-N 0 0 487.402 3.055 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCNC(=O)C(C)C)CC1(C)C ZINC001300797221 1065529065 /nfs/dbraw/zinc/52/90/65/1065529065.db2.gz WHIXCMAVNYSIMF-QGZVFWFLSA-N 0 0 482.398 3.480 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCSCC(F)(F)F)CC[C@@H]1C ZINC001300797661 1065529680 /nfs/dbraw/zinc/52/96/80/1065529680.db2.gz OLOVJMIJHAAYBC-FCEWJHQRSA-N 0 0 466.570 3.475 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)NC(C)C)CC[C@H]1C ZINC001300797834 1065529711 /nfs/dbraw/zinc/52/97/11/1065529711.db2.gz PZZRPHPVRCMAAP-KAGYGMCKSA-N 0 0 493.674 3.224 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2snnc2C)CC[C@H]1C ZINC001300797713 1065529758 /nfs/dbraw/zinc/52/97/58/1065529758.db2.gz XRWKBPGZKKGLTH-IAQYHMDHSA-N 0 0 466.409 3.116 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC[C@@H]1C ZINC001300799523 1065531688 /nfs/dbraw/zinc/53/16/88/1065531688.db2.gz WICDLEINABAIFB-RYLXDESZSA-N 0 0 480.606 3.386 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)CC[C@H]1C ZINC001300799926 1065532042 /nfs/dbraw/zinc/53/20/42/1065532042.db2.gz XSTRNKQNYOWOMS-VWKPWSFCSA-N 0 0 484.988 3.475 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2COCCO2)CC1(C)C ZINC001300803696 1065535014 /nfs/dbraw/zinc/53/50/14/1065535014.db2.gz IWSVDKRSEWROHX-WMZOPIPTSA-N 0 0 465.392 3.293 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(C)(=O)=O)CC[C@@H]1C ZINC001300803762 1065535057 /nfs/dbraw/zinc/53/50/57/1065535057.db2.gz JRACLJDJPHPVRT-HLLBOEOZSA-N 0 0 452.646 3.037 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCC2)CC[C@@H]1C ZINC001300803692 1065535071 /nfs/dbraw/zinc/53/50/71/1065535071.db2.gz ITJSEGQMZSFKIO-MAUKXSAKSA-N 0 0 453.008 3.427 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCO[C@@H]2C)CC[C@H]1C ZINC001300804318 1065536404 /nfs/dbraw/zinc/53/64/04/1065536404.db2.gz OYIPTNDNKMWHPE-QGDIXAPHSA-N 0 0 471.421 3.170 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCS(C)(=O)=O)CC[C@@H]1C ZINC001300804999 1065536733 /nfs/dbraw/zinc/53/67/33/1065536733.db2.gz VRVMXAQXWYRGGO-SOLBZPMBSA-N 0 0 466.673 3.427 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001300808629 1065539938 /nfs/dbraw/zinc/53/99/38/1065539938.db2.gz GDRLGPSEZZPLEE-RAUXBKROSA-N 0 0 471.606 3.242 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2Cc2cnn(C)c2)CC[C@H]1C ZINC001300810505 1065540997 /nfs/dbraw/zinc/54/09/97/1065540997.db2.gz NCFBPTWQGYZWLW-FZKQIMNGSA-N 0 0 463.355 3.490 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(I)cc2)CC1(C)C ZINC001300810813 1065541647 /nfs/dbraw/zinc/54/16/47/1065541647.db2.gz PYILWLUESJGNHZ-QGZVFWFLSA-N 0 0 492.365 3.193 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(=O)N2CCOCC2)CC[C@H]1C ZINC001300810514 1065541714 /nfs/dbraw/zinc/54/17/14/1065541714.db2.gz NFZHMAMWBPYPNJ-OFNKIYASSA-N 0 0 485.629 3.090 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1(C)C ZINC001300818049 1065546277 /nfs/dbraw/zinc/54/62/77/1065546277.db2.gz DEWCJIABJCZXSR-NRFANRHFSA-N 0 0 466.561 3.387 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSCCCO)CC[C@@H]1C ZINC001300819495 1065547312 /nfs/dbraw/zinc/54/73/12/1065547312.db2.gz AELVUFCQUJLXFK-XUVXKRRUSA-N 0 0 497.706 3.369 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001300820401 1065548571 /nfs/dbraw/zinc/54/85/71/1065548571.db2.gz UCRFJQKZCGUYDY-TXPKVOOTSA-N 0 0 490.605 3.028 20 0 JGADRN CO[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCSCC(F)(F)F)CC[C@H]1C ZINC001300820770 1065548948 /nfs/dbraw/zinc/54/89/48/1065548948.db2.gz VHJMVLNCOLRPEA-PBHICJAKSA-N 0 0 496.559 3.349 20 0 JGADRN CO[C@@H]1CN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[S@](=O)C(C)(C)C)CC[C@@H]1C ZINC001300822223 1065549574 /nfs/dbraw/zinc/54/95/74/1065549574.db2.gz YYSZASQDTSABSH-SWTDOBGNSA-N 0 0 472.615 3.002 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)CC[C@@H]1C ZINC001300822878 1065550100 /nfs/dbraw/zinc/55/01/00/1065550100.db2.gz LEKIELQBDNFWMA-CEWLAPEOSA-N 0 0 487.649 3.459 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CCOCC2)CC1(C)C ZINC001300822459 1065550259 /nfs/dbraw/zinc/55/02/59/1065550259.db2.gz DGALMLGUVKOUEW-RTBURBONSA-N 0 0 493.649 3.264 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CCOCC2)CC1(C)C ZINC001300822458 1065550375 /nfs/dbraw/zinc/55/03/75/1065550375.db2.gz DGALMLGUVKOUEW-RBUKOAKNSA-N 0 0 493.649 3.264 20 0 JGADRN CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC001300823091 1065550754 /nfs/dbraw/zinc/55/07/54/1065550754.db2.gz HOJWSLXYBGLOAH-FXUDXRNXSA-N 0 0 464.554 3.335 20 0 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C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(C)(C)C)S(C)(=O)=O ZINC001301983968 1066292832 /nfs/dbraw/zinc/29/28/32/1066292832.db2.gz RMNRVKNYJSLSMJ-DLBZAZTESA-N 0 0 484.688 3.433 20 0 JGADRN COCCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)=O)CC2)CCC1 ZINC001301469294 1066292907 /nfs/dbraw/zinc/29/29/07/1066292907.db2.gz ZBAVNKKVHWYQLK-UHFFFAOYSA-N 0 0 463.529 3.422 20 0 JGADRN COCCC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCC1 ZINC001301469209 1066293010 /nfs/dbraw/zinc/29/30/10/1066293010.db2.gz XQZZFNANLXOEKA-GOSISDBHSA-N 0 0 453.008 3.429 20 0 JGADRN COCCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001301469142 1066293075 /nfs/dbraw/zinc/29/30/75/1066293075.db2.gz WXAWQXSYEZGNAP-GOSISDBHSA-N 0 0 463.529 3.468 20 0 JGADRN COCCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCO[C@H](C)C2)CCC1 ZINC001301469311 1066293720 /nfs/dbraw/zinc/29/37/20/1066293720.db2.gz ZXWQOFXBHVUTDZ-QGZVFWFLSA-N 0 0 460.575 3.403 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccc1Cl ZINC001301984319 1066294016 /nfs/dbraw/zinc/29/40/16/1066294016.db2.gz TWCGICMEHZBMTG-CVEARBPZSA-N 0 0 491.017 3.079 20 0 JGADRN COCCC1(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001301469691 1066294111 /nfs/dbraw/zinc/29/41/11/1066294111.db2.gz VUHGCAFKLZPANN-MRXNPFEDSA-N 0 0 466.673 3.429 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCc1sccc1C ZINC001301984659 1066294755 /nfs/dbraw/zinc/29/47/55/1066294755.db2.gz PLFMUSUERDSISX-WZONZLPQSA-N 0 0 464.632 3.389 20 0 JGADRN COCCC1(Cn2c(-c3cccc4cccnc43)nnc2N(C)CCS(C)(=O)=O)CCC1 ZINC001301470986 1066295061 /nfs/dbraw/zinc/29/50/61/1066295061.db2.gz OIYSDSYRMLJBTD-UHFFFAOYSA-N 0 0 457.600 3.181 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001301984995 1066295225 /nfs/dbraw/zinc/29/52/25/1066295225.db2.gz RCXBPOCMFJOXOC-BUPNWXMQSA-N 0 0 493.693 3.000 20 0 JGADRN COCCC1(Cn2c(-c3ccccc3Br)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001301471456 1066295803 /nfs/dbraw/zinc/29/58/03/1066295803.db2.gz GWPSVYMXTDYJOU-HNNXBMFYSA-N 0 0 462.392 3.226 20 0 JGADRN COCCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)COC)CC2)CCC1 ZINC001301471073 1066295877 /nfs/dbraw/zinc/29/58/77/1066295877.db2.gz QOWIQAOXSRGWMX-UHFFFAOYSA-N 0 0 479.984 3.239 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccs1 ZINC001301985122 1066295853 /nfs/dbraw/zinc/29/58/53/1066295853.db2.gz XHYACNLNTPDVCH-NEPJUHHUSA-N 0 0 472.434 3.403 20 0 JGADRN C[C@@H]1[C@@H](NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CCN1C(=O)OC(C)(C)C ZINC001301985406 1066296517 /nfs/dbraw/zinc/29/65/17/1066296517.db2.gz FJPVHUMNJIYBIN-CJNGLKHVSA-N 0 0 464.506 3.079 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1nc(C(C)(C)C)cs1)S(C)(=O)=O ZINC001301985184 1066296702 /nfs/dbraw/zinc/29/67/02/1066296702.db2.gz ABFVBJHDUOWARI-LSDHHAIUSA-N 0 0 462.645 3.400 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCOc1ncccc1Cl)S(C)(=O)=O ZINC001301985773 1066297274 /nfs/dbraw/zinc/29/72/74/1066297274.db2.gz BWSLGYGYCAMZLI-UONOGXRCSA-N 0 0 499.424 3.379 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1CCSC1 ZINC001301986115 1066298253 /nfs/dbraw/zinc/29/82/53/1066298253.db2.gz VMTDOBMNNAVUAT-MHORFTMASA-N 0 0 469.652 3.105 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1ccnn1 ZINC001301986091 1066298330 /nfs/dbraw/zinc/29/83/30/1066298330.db2.gz CQRIKIYGRBUTBE-KBPBESRZSA-N 0 0 486.429 3.192 20 0 JGADRN COCCC1(Cn2c(-c3cnccn3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CCC1 ZINC001301476589 1066299000 /nfs/dbraw/zinc/29/90/00/1066299000.db2.gz BBRXJOIZXSKCBE-UHFFFAOYSA-N 0 0 471.512 3.295 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1cccc(CN2CCOCC2)c1 ZINC001301986482 1066299446 /nfs/dbraw/zinc/29/94/46/1066299446.db2.gz YAFXYRBBMYKABG-FDFHNCONSA-N 0 0 471.646 3.365 20 0 JGADRN COCCO[C@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001301986425 1066299518 /nfs/dbraw/zinc/29/95/18/1066299518.db2.gz WYXKZGRAHICBSQ-ZCNNSNEGSA-N 0 0 471.602 3.059 20 0 JGADRN COCCC1(Cn2c(-c3cnccn3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001301477256 1066299658 /nfs/dbraw/zinc/29/96/58/1066299658.db2.gz MHHGXKKXFUNLFU-SFHVURJKSA-N 0 0 471.606 3.435 20 0 JGADRN COCCC1(Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001301477516 1066299681 /nfs/dbraw/zinc/29/96/81/1066299681.db2.gz QEAAGROXCFTCCM-KRWDZBQOSA-N 0 0 459.616 3.123 20 0 JGADRN COCCC1(Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001301477082 1066299712 /nfs/dbraw/zinc/29/97/12/1066299712.db2.gz KKWOCGXQQAWLHX-QGZVFWFLSA-N 0 0 470.599 3.153 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2c(c1)OCCO2 ZINC001301986548 1066299771 /nfs/dbraw/zinc/29/97/71/1066299771.db2.gz DWJOSEIDRYULEI-CABCVRRESA-N 0 0 492.001 3.071 20 0 JGADRN COCCC1(Cn2c(C3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCCC1 ZINC001301478068 1066300067 /nfs/dbraw/zinc/30/00/67/1066300067.db2.gz PKLOBQGQOFVYJY-UHFFFAOYSA-N 0 0 453.653 3.004 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2c(c1)OCCO2 ZINC001301986566 1066300125 /nfs/dbraw/zinc/30/01/25/1066300125.db2.gz DWJOSEIDRYULEI-HUUCEWRRSA-N 0 0 492.001 3.071 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC[S@](=O)C(C)(C)C ZINC001301986694 1066300276 /nfs/dbraw/zinc/30/02/76/1066300276.db2.gz FFNJAOJBXMUBIF-YSVMAZNTSA-N 0 0 475.080 3.404 20 0 JGADRN COCCC1(Cn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001301477972 1066300192 /nfs/dbraw/zinc/30/01/92/1066300192.db2.gz NIOHSYAZGWVPTH-UHFFFAOYSA-N 0 0 455.607 3.095 20 0 JGADRN COCCC1(Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001301477517 1066300374 /nfs/dbraw/zinc/30/03/74/1066300374.db2.gz QEAAGROXCFTCCM-QGZVFWFLSA-N 0 0 459.616 3.123 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1CCc1cccc2[nH]ccc21 ZINC001301986739 1066300380 /nfs/dbraw/zinc/30/03/80/1066300380.db2.gz FKFWPHRSKZGGTJ-SJORKVTESA-N 0 0 452.584 3.322 20 0 JGADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(Cl)nc1 ZINC001301986615 1066300395 /nfs/dbraw/zinc/30/03/95/1066300395.db2.gz FDHVVOMIXZJPLP-KBPBESRZSA-N 0 0 477.974 3.028 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001301986963 1066300682 /nfs/dbraw/zinc/30/06/82/1066300682.db2.gz GDUAQOVDEZMMOK-QZTJIDSGSA-N 0 0 499.616 3.109 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cccn2C)n1CCc1ccn(-c2ccc(F)cc2)n1)S(C)(=O)=O ZINC001301986965 1066300930 /nfs/dbraw/zinc/30/09/30/1066300930.db2.gz GDUAQOVDEZMMOK-ZWKOTPCHSA-N 0 0 499.616 3.109 20 0 JGADRN COCCC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H](OC)C2)CCC1 ZINC001301479763 1066301057 /nfs/dbraw/zinc/30/10/57/1066301057.db2.gz DGZDOPOBEWJPTP-WOJBJXKFSA-N 0 0 493.649 3.409 20 0 JGADRN COCCC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H](OC)C2)CCC1 ZINC001301479761 1066301230 /nfs/dbraw/zinc/30/12/30/1066301230.db2.gz DGZDOPOBEWJPTP-UXHICEINSA-N 0 0 493.649 3.409 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1c(F)cccc1N1CCCC1 ZINC001301987015 1066301098 /nfs/dbraw/zinc/30/10/98/1066301098.db2.gz GMIWNDADCXWVGT-IAGOWNOFSA-N 0 0 474.606 3.319 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CC=CCO1 ZINC001301987465 1066301658 /nfs/dbraw/zinc/30/16/58/1066301658.db2.gz HXCREGSLATVHFK-ZIFCJYIRSA-N 0 0 455.584 3.096 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCOc1ncccc1Cl ZINC001301987253 1066301862 /nfs/dbraw/zinc/30/18/62/1066301862.db2.gz AEEDSLNXLYZNRT-SQWLQELKSA-N 0 0 493.914 3.286 20 0 JGADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CCOc1ncccc1F ZINC001301987542 1066302137 /nfs/dbraw/zinc/30/21/37/1066302137.db2.gz ILUKBFFEXIKAPN-IAGOWNOFSA-N 0 0 498.584 3.364 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCC(=O)Nc1ccccc1 ZINC001301987803 1066303256 /nfs/dbraw/zinc/30/32/56/1066303256.db2.gz DWJNQIMDBWLBEK-LZLYRXPVSA-N 0 0 485.507 3.187 20 0 JGADRN COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1Cc1cccc(NC(C)=O)c1 ZINC001301987760 1066303294 /nfs/dbraw/zinc/30/32/94/1066303294.db2.gz DMUOQMIAESTMOM-SPYBWZPUSA-N 0 0 485.507 3.165 20 0 JGADRN COCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001301482506 1066304037 /nfs/dbraw/zinc/30/40/37/1066304037.db2.gz HACBWZLTJPNOED-SJLPKXTDSA-N 0 0 450.580 3.333 20 0 JGADRN C[C@H]([C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc32)n1CCCOC1CCOCC1)S(C)(=O)=O ZINC001301988648 1066305113 /nfs/dbraw/zinc/30/51/13/1066305113.db2.gz DUKAENXUOYDRCS-ZWKOTPCHSA-N 0 0 489.642 3.270 20 0 JGADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCSC1(C)C ZINC001301988902 1066305546 /nfs/dbraw/zinc/30/55/46/1066305546.db2.gz NBSMSWZRHVBQAH-HLLBOEOZSA-N 0 0 480.656 3.463 20 0 JGADRN 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Cc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 ZINC001304399203 1067461965 /nfs/dbraw/zinc/46/19/65/1067461965.db2.gz WHBMEGMAIVTDAD-GGPKGHCWSA-N 0 0 454.575 3.169 20 0 JGADRN Cc1ccoc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C)cc2)CC1 ZINC001304399307 1067462316 /nfs/dbraw/zinc/46/23/16/1067462316.db2.gz ZQDHKZCDMARUJN-SFHVURJKSA-N 0 0 473.599 3.194 20 0 JGADRN Cc1ccoc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C)cc2)CC1 ZINC001304399306 1067462361 /nfs/dbraw/zinc/46/23/61/1067462361.db2.gz ZQDHKZCDMARUJN-GOSISDBHSA-N 0 0 473.599 3.194 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2CCO[C@@H](C)C2)cc1 ZINC001304399466 1067462368 /nfs/dbraw/zinc/46/23/68/1067462368.db2.gz YMNUHUDOCRHXJM-YRPNKDGESA-N 0 0 464.632 3.238 20 0 JGADRN Cc1ccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2CC2CCS(=O)(=O)CC2)cc1 ZINC001304399435 1067462379 /nfs/dbraw/zinc/46/23/79/1067462379.db2.gz CPNHSVCRWMBRCU-UHFFFAOYSA-N 0 0 468.570 3.472 20 0 JGADRN 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Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C)N2CCOCC2)cc1 ZINC001304425603 1067503356 /nfs/dbraw/zinc/50/33/56/1067503356.db2.gz RHSHDIKBVCKGPX-RBBKRZOGSA-N 0 0 457.619 3.138 20 0 JGADRN Cc1ccc(OCc2nnc(Nc3cnn(C)c3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001304426075 1067503673 /nfs/dbraw/zinc/50/36/73/1067503673.db2.gz XNPORLKOUNGPPU-LJQANCHMSA-N 0 0 479.507 3.296 20 0 JGADRN Cc1ccc(OCCN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C(F)(F)C23CCC3)cc1 ZINC001304427116 1067504252 /nfs/dbraw/zinc/50/42/52/1067504252.db2.gz BRTXXPOOYGCQFO-WMZOPIPTSA-N 0 0 483.585 3.147 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(C(C)C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001304428053 1067505120 /nfs/dbraw/zinc/50/51/20/1067505120.db2.gz CYIRZWNDURQJAP-UHFFFAOYSA-N 0 0 493.577 3.098 20 0 JGADRN CC[C@@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)c1ccccc1 ZINC001302927269 1067505432 /nfs/dbraw/zinc/50/54/32/1067505432.db2.gz CCZCOJSFOMVQAC-LJQANCHMSA-N 0 0 451.527 3.188 20 0 JGADRN 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ZINC001304429152 1067506606 /nfs/dbraw/zinc/50/66/06/1067506606.db2.gz MSDJPWKXLARZSE-QGZVFWFLSA-N 0 0 454.543 3.049 20 0 JGADRN CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001302931019 1067506651 /nfs/dbraw/zinc/50/66/51/1067506651.db2.gz VQTGHULRBOTRQS-YKSBVNFPSA-N 0 0 465.708 3.468 20 0 JGADRN CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1CCCOC(F)(F)F ZINC001302929914 1067506662 /nfs/dbraw/zinc/50/66/62/1067506662.db2.gz MYRCVHJBYOEPQL-KRWDZBQOSA-N 0 0 481.585 3.234 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccnc3)n2C[C@H](C)c2nccs2)cc1 ZINC001304429387 1067506864 /nfs/dbraw/zinc/50/68/64/1067506864.db2.gz NSQPINFTOWTJDJ-SFHVURJKSA-N 0 0 497.650 3.323 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N2CCc3c(Cl)cccc3C2)s1 ZINC001304429335 1067506982 /nfs/dbraw/zinc/50/69/82/1067506982.db2.gz NJQZICNKMSXRSP-UHFFFAOYSA-N 0 0 452.005 3.151 20 0 JGADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC2(C)C)cc1 ZINC001304429882 1067507308 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454.444 3.201 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)C)n2Cc2nccn2C(F)F)cc1 ZINC001304431154 1067509415 /nfs/dbraw/zinc/50/94/15/1067509415.db2.gz CAUHUGMRGRCVJI-UHFFFAOYSA-N 0 0 463.558 3.480 20 0 JGADRN FC(F)(F)CN1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001302936682 1067509656 /nfs/dbraw/zinc/50/96/56/1067509656.db2.gz KBKCLFHPNJTBMM-KRWDZBQOSA-N 0 0 498.516 3.131 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CCn2cc(Br)cn2)cc1 ZINC001304431423 1067509743 /nfs/dbraw/zinc/50/97/43/1067509743.db2.gz FWKPUDBNVHSQOC-HNNXBMFYSA-N 0 0 492.447 3.238 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)[C@@H]3CCSC3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304431707 1067510094 /nfs/dbraw/zinc/51/00/94/1067510094.db2.gz KOULGLPNERWETN-CQSZACIVSA-N 0 0 459.563 3.499 20 0 JGADRN Cc1c(CN(C)c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCSC2)cnn1C ZINC001304432284 1067510411 /nfs/dbraw/zinc/51/04/11/1067510411.db2.gz UBSDUCUOHYPAKO-JOCHJYFZSA-N 0 0 458.657 3.425 20 0 JGADRN Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCc2ccsc2)cc1 ZINC001304431935 1067510511 /nfs/dbraw/zinc/51/05/11/1067510511.db2.gz NNBRDBISGFVMBL-UHFFFAOYSA-N 0 0 471.652 3.478 20 0 JGADRN Cc1cc([C@@](C)(O)Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@H](C(N)=O)C2)c(C)o1 ZINC001304432492 1067511073 /nfs/dbraw/zinc/51/10/73/1067511073.db2.gz AWZVTZBEWRASGV-UUOWRZLLSA-N 0 0 469.611 3.308 20 0 JGADRN Cc1cc([C@](C)(O)Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@H](C(N)=O)C2)c(C)o1 ZINC001304432491 1067511114 /nfs/dbraw/zinc/51/11/14/1067511114.db2.gz AWZVTZBEWRASGV-MHECFPHRSA-N 0 0 469.611 3.308 20 0 JGADRN Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2CSCCS2)cc1 ZINC001304432536 1067511184 /nfs/dbraw/zinc/51/11/84/1067511184.db2.gz BQHADQDFKNNABR-UTKZUKDTSA-N 0 0 463.698 3.429 20 0 JGADRN Cc1ccc(SCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001304432814 1067511577 /nfs/dbraw/zinc/51/15/77/1067511577.db2.gz HKTCWKWEDYVZKJ-OALUTQOASA-N 0 0 493.699 3.164 20 0 JGADRN FC(F)(F)COc1cc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C(F)(F)F)C2)ccn1 ZINC001302938358 1067511693 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CC(C)CC[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303004347 1067561153 /nfs/dbraw/zinc/56/11/53/1067561153.db2.gz SPRPTIVCSSYULA-XFAGBWLFSA-N 0 0 461.582 3.446 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001303004343 1067561158 /nfs/dbraw/zinc/56/11/58/1067561158.db2.gz SPRPTIVCSSYULA-GGUMNFRJSA-N 0 0 461.582 3.446 20 0 JGADRN Cc1cccc(CC2(O)CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCC(C)(F)F)CC2)c1 ZINC001304481696 1067561357 /nfs/dbraw/zinc/56/13/57/1067561357.db2.gz HFFQYRDGCMWKKA-LJQANCHMSA-N 0 0 482.597 3.108 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001303004919 1067561466 /nfs/dbraw/zinc/56/14/66/1067561466.db2.gz WGUVLHVKLLVMFB-HOYKHHGWSA-N 0 0 491.658 3.075 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001303004922 1067561486 /nfs/dbraw/zinc/56/14/86/1067561486.db2.gz WGUVLHVKLLVMFB-MHECFPHRSA-N 0 0 491.658 3.075 20 0 JGADRN Cc1cccc(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCNC(=O)CC2)n1 ZINC001304482015 1067561574 /nfs/dbraw/zinc/56/15/74/1067561574.db2.gz JHBTUUDARWSOEP-GOSISDBHSA-N 0 0 452.534 3.220 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC001303005666 1067561759 /nfs/dbraw/zinc/56/17/59/1067561759.db2.gz GXJSRXSUDCFZSN-NSHDSACASA-N 0 0 454.321 3.366 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001303006011 1067561839 /nfs/dbraw/zinc/56/18/39/1067561839.db2.gz BUJKQLGJPGPYNV-VWLOTQADSA-N 0 0 454.619 3.470 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CCN(C)c2ccccc2)n1 ZINC001304482471 1067561961 /nfs/dbraw/zinc/56/19/61/1067561961.db2.gz KSYHSKGXTPDMCX-JOCHJYFZSA-N 0 0 450.587 3.415 20 0 JGADRN Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@](C)(O)c2ccc(F)cc2)n1 ZINC001304482405 1067562089 /nfs/dbraw/zinc/56/20/89/1067562089.db2.gz JJUJDTFWJBRFNL-BWKNWUBXSA-N 0 0 469.561 3.326 20 0 JGADRN 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CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001303011759 1067566348 /nfs/dbraw/zinc/56/63/48/1067566348.db2.gz UWBMRUNXNMDGIU-FQRUVTKNSA-N 0 0 485.677 3.030 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001303011879 1067566396 /nfs/dbraw/zinc/56/63/96/1067566396.db2.gz VUULMOCNJVARHE-KBMIEXCESA-N 0 0 473.666 3.243 20 0 JGADRN CC(C)CC[C@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001303012037 1067566775 /nfs/dbraw/zinc/56/67/75/1067566775.db2.gz VWVZUFKRWVPGGA-CLOONOSVSA-N 0 0 465.602 3.020 20 0 JGADRN Cc1cccc(CCn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)n1 ZINC001304488313 1067566758 /nfs/dbraw/zinc/56/67/58/1067566758.db2.gz FODZAIRFXVMWSW-UHFFFAOYSA-N 0 0 475.597 3.152 20 0 JGADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3cccc(C)c3)n2CCS(=O)(=O)NC(C)C)n1 ZINC001304488585 1067567027 /nfs/dbraw/zinc/56/70/27/1067567027.db2.gz XNBZHERALURLSS-JOCHJYFZSA-N 0 0 485.658 3.117 20 0 JGADRN CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001303012659 1067567406 /nfs/dbraw/zinc/56/74/06/1067567406.db2.gz DCRKZOVWRBWVEB-QFQXNSOFSA-N 0 0 497.644 3.207 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(F)(F)F)C2)c1 ZINC001304489069 1067567501 /nfs/dbraw/zinc/56/75/01/1067567501.db2.gz BGDRHOJIHDDJLB-RDJZCZTQSA-N 0 0 459.538 3.218 20 0 JGADRN NC(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CCCC1 ZINC001303012991 1067567650 /nfs/dbraw/zinc/56/76/50/1067567650.db2.gz LAKOQBLMLIUXCT-UHFFFAOYSA-N 0 0 484.910 3.387 20 0 JGADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=C(C(F)(F)F)CC2)c1 ZINC001304489285 1067567750 /nfs/dbraw/zinc/56/77/50/1067567750.db2.gz DRUCADPLIKZVNW-HNNXBMFYSA-N 0 0 457.522 3.138 20 0 JGADRN Cc1cccc(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 ZINC001304489613 1067568075 /nfs/dbraw/zinc/56/80/75/1067568075.db2.gz DBSGLHBQDYCHPC-KRWDZBQOSA-N 0 0 475.018 3.015 20 0 JGADRN 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KVGXUCSKZCMDBT-QHCPKHFHSA-N 0 0 494.562 3.142 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCCn2ccnn2)c1 ZINC001304503301 1067577615 /nfs/dbraw/zinc/57/76/15/1067577615.db2.gz KGGMVFVCJZAFLU-JOCHJYFZSA-N 0 0 493.534 3.377 20 0 JGADRN Cc1nn(C)c(C)c1Cn1c(COc2cccc(C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001304503469 1067577644 /nfs/dbraw/zinc/57/76/44/1067577644.db2.gz FGKYGYOQMYKLQK-UHFFFAOYSA-N 0 0 481.645 3.111 20 0 JGADRN NC(=O)[C@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCC(F)(F)C(F)F)C1 ZINC001303025060 1067577745 /nfs/dbraw/zinc/57/77/45/1067577745.db2.gz PCYNJHPMTVEIGI-HNNXBMFYSA-N 0 0 496.465 3.219 20 0 JGADRN NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC001303025093 1067577938 /nfs/dbraw/zinc/57/79/38/1067577938.db2.gz RCHMDZCEVVBDOU-BRWVUGGUSA-N 0 0 455.456 3.453 20 0 JGADRN NC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001303025335 1067578180 /nfs/dbraw/zinc/57/81/80/1067578180.db2.gz VRNRFRGUVPTJML-UHFFFAOYSA-N 0 0 465.302 3.064 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@@]2(O)CCO[C@@H]2C)c1 ZINC001304504063 1067578076 /nfs/dbraw/zinc/57/80/76/1067578076.db2.gz QATKYOYFKSOYHL-GNMOFYLKSA-N 0 0 499.656 3.083 20 0 JGADRN NC(=O)[C@H]1CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001303025752 1067578203 /nfs/dbraw/zinc/57/82/03/1067578203.db2.gz TTZRJXBQQRBFGB-KRWDZBQOSA-N 0 0 466.508 3.097 20 0 JGADRN Cc1cccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H]2CCOC[C@H]2C)c1 ZINC001304504459 1067578409 /nfs/dbraw/zinc/57/84/09/1067578409.db2.gz SDMAQKAJGKNCHC-QYZOEREBSA-N 0 0 495.546 3.343 20 0 JGADRN CC(C)CCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001303025889 1067578521 /nfs/dbraw/zinc/57/85/21/1067578521.db2.gz ASIZIMCADYGXPX-UHFFFAOYSA-N 0 0 455.651 3.244 20 0 JGADRN CC(C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001303028156 1067578753 /nfs/dbraw/zinc/57/87/53/1067578753.db2.gz XWNKKQWNJGBSBD-UHFFFAOYSA-N 0 0 479.629 3.323 20 0 JGADRN COC(=O)c1cc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)c(O)c(OC)c1 ZINC001304504907 1067578891 /nfs/dbraw/zinc/57/88/91/1067578891.db2.gz IPKOZWYQRXMMKU-UHFFFAOYSA-N 0 0 454.336 3.178 20 0 JGADRN Cc1cccc(OCc2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(Cl)nc2)c1 ZINC001304505113 1067579247 /nfs/dbraw/zinc/57/92/47/1067579247.db2.gz ZAGPPGIDUBDCSX-UHFFFAOYSA-N 0 0 456.978 3.031 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)(c2ccccc2)C1 ZINC001303029427 1067579319 /nfs/dbraw/zinc/57/93/19/1067579319.db2.gz KDBQDLVPINNSLF-KSSFIOAISA-N 0 0 452.420 3.240 20 0 JGADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)(c2ccccc2)C1 ZINC001303029425 1067579371 /nfs/dbraw/zinc/57/93/71/1067579371.db2.gz KDBQDLVPINNSLF-KBXCAEBGSA-N 0 0 452.420 3.240 20 0 JGADRN Cc1nc(CCn2c(COc3cccc(C)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)sc1C ZINC001304505732 1067579430 /nfs/dbraw/zinc/57/94/30/1067579430.db2.gz AVKHFDDXPPGUMR-IBGZPJMESA-N 0 0 475.640 3.105 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CCC2(F)CCC2)c1 ZINC001304505619 1067579440 /nfs/dbraw/zinc/57/94/40/1067579440.db2.gz DVFYZNSRGHUBLM-UHFFFAOYSA-N 0 0 479.622 3.213 20 0 JGADRN Cc1c(Cn2c(COc3cccc(C)c3)nnc2N2CC(=O)N(C)C[C@H]2C)cnn1CC(C)C ZINC001304506360 1067580012 /nfs/dbraw/zinc/58/00/12/1067580012.db2.gz DPUVQHLXIHQQCW-LJQANCHMSA-N 0 0 465.602 3.042 20 0 JGADRN Cc1cccc(OCc2nnc(N3CC[C@H](C4CCOCC4)C3)n2CCNC(=O)C(C)C)c1 ZINC001304506424 1067580021 /nfs/dbraw/zinc/58/00/21/1067580021.db2.gz KLRSLJSZLXQLSV-NRFANRHFSA-N 0 0 455.603 3.191 20 0 JGADRN NC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 ZINC001303032097 1067580099 /nfs/dbraw/zinc/58/00/99/1067580099.db2.gz CQGGACXOAFDYMT-AEFFLSMTSA-N 0 0 480.382 3.347 20 0 JGADRN Cc1nc(C)c(CCn2c(COc3cccc(C)c3)nnc2N2CC(=O)N(C)C[C@H]2C)s1 ZINC001304506704 1067580262 /nfs/dbraw/zinc/58/02/62/1067580262.db2.gz FTUGNCPFVCDXNJ-MRXNPFEDSA-N 0 0 454.600 3.148 20 0 JGADRN CC(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001303032207 1067580410 /nfs/dbraw/zinc/58/04/10/1067580410.db2.gz WEBSZPJAZRBVNH-ZWKOTPCHSA-N 0 0 465.595 3.198 20 0 JGADRN NC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCCCO2)CC1 ZINC001303033948 1067580663 /nfs/dbraw/zinc/58/06/63/1067580663.db2.gz AENURMXESMEJOF-MRXNPFEDSA-N 0 0 468.385 3.435 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCC(F)(F)C2)c1 ZINC001304507161 1067580800 /nfs/dbraw/zinc/58/08/00/1067580800.db2.gz MZGVUIBFDOOCBG-QGZVFWFLSA-N 0 0 463.529 3.072 20 0 JGADRN Cc1cccc(OCc2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001304507075 1067580841 /nfs/dbraw/zinc/58/08/41/1067580841.db2.gz PYJSWTMONCEUCE-ASPBEGMCSA-N 0 0 470.643 3.440 20 0 JGADRN CC(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001303034236 1067580913 /nfs/dbraw/zinc/58/09/13/1067580913.db2.gz MMYBMLWCQNMKTD-FXAWDEMLSA-N 0 0 479.622 3.310 20 0 JGADRN NC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001303034198 1067580998 /nfs/dbraw/zinc/58/09/98/1067580998.db2.gz DGDSXTTUDNIYHR-IAGOWNOFSA-N 0 0 455.456 3.453 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC(=O)NC2CCCCC2)c1 ZINC001304507402 1067581037 /nfs/dbraw/zinc/58/10/37/1067581037.db2.gz SJQIZQAHJNTAII-UHFFFAOYSA-N 0 0 482.629 3.096 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC(OCCC(C)C)CC3)n2CC(=O)N2CCOCC2)c1 ZINC001304507475 1067581144 /nfs/dbraw/zinc/58/11/44/1067581144.db2.gz RASFNFSMWWWRCT-UHFFFAOYSA-N 0 0 485.629 3.056 20 0 JGADRN NC(=O)C[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001303034670 1067581236 /nfs/dbraw/zinc/58/12/36/1067581236.db2.gz ABLKMXBLDZZDHP-KDOFPFPSSA-N 0 0 467.492 3.400 20 0 JGADRN NC(=O)[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2ccc(Br)s2)C1 ZINC001303034837 1067581544 /nfs/dbraw/zinc/58/15/44/1067581544.db2.gz IUOQOCYWORBUHJ-ZDUSSCGKSA-N 0 0 494.390 3.375 20 0 JGADRN NC(=O)[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[C@H]2CCCCO2)C1 ZINC001303035215 1067581558 /nfs/dbraw/zinc/58/15/58/1067581558.db2.gz JLGKYSJOPKOVJL-GDBMZVCRSA-N 0 0 468.385 3.435 20 0 JGADRN NC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001303035139 1067581563 /nfs/dbraw/zinc/58/15/63/1067581563.db2.gz ZLTNZIPWFFLVJZ-SFHVURJKSA-N 0 0 451.493 3.483 20 0 JGADRN NC(=O)C[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCOC(F)F)C1 ZINC001303035999 1067582072 /nfs/dbraw/zinc/58/20/72/1067582072.db2.gz HFAJRBVXSQSKOL-ZDUSSCGKSA-N 0 0 472.334 3.429 20 0 JGADRN NC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001303035768 1067582092 /nfs/dbraw/zinc/58/20/92/1067582092.db2.gz MTFVPSRXHTVMKL-UHFFFAOYSA-N 0 0 464.517 3.289 20 0 JGADRN NC(=O)C[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2cccc(COCC(F)(F)F)c2)C1 ZINC001303036008 1067582121 /nfs/dbraw/zinc/58/21/21/1067582121.db2.gz HHNPOSDNLCGXIR-INIZCTEOSA-N 0 0 451.493 3.375 20 0 JGADRN Cc1cccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001304508274 1067582123 /nfs/dbraw/zinc/58/21/23/1067582123.db2.gz MKLQGFUDXPIWQZ-FXAWDEMLSA-N 0 0 491.514 3.377 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2CCC[C@H](O)C2)c1 ZINC001304508238 1067582139 /nfs/dbraw/zinc/58/21/39/1067582139.db2.gz FNEQSQHJPOHSFB-VXKWHMMOSA-N 0 0 469.630 3.411 20 0 JGADRN Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001304508277 1067582175 /nfs/dbraw/zinc/58/21/75/1067582175.db2.gz MKLQGFUDXPIWQZ-YLJYHZDGSA-N 0 0 491.514 3.377 20 0 JGADRN NC(=O)C[C@H]1CCCN(c2nnc(C3CC3)n2Cc2cccc(COCC(F)(F)F)c2)C1 ZINC001303036009 1067582252 /nfs/dbraw/zinc/58/22/52/1067582252.db2.gz HHNPOSDNLCGXIR-MRXNPFEDSA-N 0 0 451.493 3.375 20 0 JGADRN NC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(O)CCCC2)CC1 ZINC001303036363 1067582368 /nfs/dbraw/zinc/58/23/68/1067582368.db2.gz RQBYDTVODHMILF-UHFFFAOYSA-N 0 0 450.008 3.231 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H]2COCCO2)c1 ZINC001304508539 1067582361 /nfs/dbraw/zinc/58/23/61/1067582361.db2.gz HMOCMAIHXNVOBM-MOPGFXCFSA-N 0 0 470.492 3.129 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCCOC(F)(F)F)c1 ZINC001304508413 1067582394 /nfs/dbraw/zinc/58/23/94/1067582394.db2.gz YGRUBVVLSUFODM-UHFFFAOYSA-N 0 0 476.521 3.105 20 0 JGADRN NC(=O)C[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001303036625 1067582531 /nfs/dbraw/zinc/58/25/31/1067582531.db2.gz KYCKMTKEVXQQGZ-HOCLYGCPSA-N 0 0 467.492 3.053 20 0 JGADRN NC(=O)C[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCc2ccccc2OC(F)F)C1 ZINC001303036664 1067582637 /nfs/dbraw/zinc/58/26/37/1067582637.db2.gz LCBXICGDYHUZOO-INIZCTEOSA-N 0 0 456.497 3.276 20 0 JGADRN Cc1nc(CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)sc1C ZINC001304508875 1067582883 /nfs/dbraw/zinc/58/28/83/1067582883.db2.gz BXNKPRNQLPHJKD-GOSISDBHSA-N 0 0 454.600 3.183 20 0 JGADRN NC(=O)C[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOC[C@H]2CCOC2)C1 ZINC001303037990 1067583395 /nfs/dbraw/zinc/58/33/95/1067583395.db2.gz ZNMQEJQRXLUGEB-QZTJIDSGSA-N 0 0 461.994 3.134 20 0 JGADRN NC(=O)C[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2nccs2)C1 ZINC001303037929 1067583500 /nfs/dbraw/zinc/58/35/00/1067583500.db2.gz YIFGCTXUJFWZPU-CYBMUJFWSA-N 0 0 478.420 3.217 20 0 JGADRN Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC(C)(C)N2CCOCC2)c1 ZINC001304509280 1067583743 /nfs/dbraw/zinc/58/37/43/1067583743.db2.gz UHWPBRVDJVWRLN-QUCCMNQESA-N 0 0 497.562 3.432 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCc2ccccn2)c1 ZINC001304509334 1067583870 /nfs/dbraw/zinc/58/38/70/1067583870.db2.gz PKXGRFGGYHNURZ-JOCHJYFZSA-N 0 0 469.611 3.207 20 0 JGADRN NC(=O)C[C@@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC2=CCCOC2)C1 ZINC001303038574 1067583944 /nfs/dbraw/zinc/58/39/44/1067583944.db2.gz MUXAZCRVKKWNIL-INIZCTEOSA-N 0 0 490.402 3.058 20 0 JGADRN Cc1cccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC2CCS(=O)(=O)CC2)c1 ZINC001304509810 1067584394 /nfs/dbraw/zinc/58/43/94/1067584394.db2.gz WFIIUJXQJGUHHQ-UHFFFAOYSA-N 0 0 476.643 3.384 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC=C(Br)C3)n2CCNC(=O)C(C)C)c1 ZINC001304510403 1067584903 /nfs/dbraw/zinc/58/49/03/1067584903.db2.gz NOIUMTMHDPCHLS-UHFFFAOYSA-N 0 0 462.392 3.427 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[C@H]2CCO[C@@H](C)C2)c1 ZINC001304510389 1067584997 /nfs/dbraw/zinc/58/49/97/1067584997.db2.gz NGCQNTCSMAYTRR-PCCBWWKXSA-N 0 0 455.603 3.463 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC[C@H](C)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001304510428 1067585010 /nfs/dbraw/zinc/58/50/10/1067585010.db2.gz OAIQAYPCMAYYRY-AZUAARDMSA-N 0 0 461.632 3.073 20 0 JGADRN NC(=O)C[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CSCCS2)C1 ZINC001303040460 1067585507 /nfs/dbraw/zinc/58/55/07/1067585507.db2.gz YDXVSOKAGXXFAF-PMACEKPBSA-N 0 0 459.685 3.394 20 0 JGADRN CC(C)CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001303040482 1067585603 /nfs/dbraw/zinc/58/56/03/1067585603.db2.gz GLSDZQMPKVHXKE-LGVFNWMJSA-N 0 0 497.706 3.005 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC2(C(N)=O)CCOCC2)c1 ZINC001304511125 1067586167 /nfs/dbraw/zinc/58/61/67/1067586167.db2.gz ZZHLQIMOWIIQQY-QGZVFWFLSA-N 0 0 481.519 3.226 20 0 JGADRN CC(C)CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 ZINC001303041586 1067586212 /nfs/dbraw/zinc/58/62/12/1067586212.db2.gz RWMGGUCNGAOKIQ-RUZDIDTESA-N 0 0 472.634 3.081 20 0 JGADRN CC(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001303041970 1067586287 /nfs/dbraw/zinc/58/62/87/1067586287.db2.gz ZRYWNXIIJSCXAZ-UHFFFAOYSA-N 0 0 481.576 3.253 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCSC2)CC1 ZINC001303042870 1067586458 /nfs/dbraw/zinc/58/64/58/1067586458.db2.gz BEOWDHSNFRAEEI-GOSISDBHSA-N 0 0 491.061 3.097 20 0 JGADRN CC(C)CCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001303041978 1067586573 /nfs/dbraw/zinc/58/65/73/1067586573.db2.gz ZYUWPTMFWXPZCU-HXUWFJFHSA-N 0 0 458.676 3.500 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCO2)CC1 ZINC001303042842 1067586645 /nfs/dbraw/zinc/58/66/45/1067586645.db2.gz APVUAIHVLMCNDC-CQSZACIVSA-N 0 0 468.421 3.430 20 0 JGADRN Cc1nnsc1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001304511404 1067586775 /nfs/dbraw/zinc/58/67/75/1067586775.db2.gz BHOMQHXJJUPVKY-HNNXBMFYSA-N 0 0 481.548 3.447 20 0 JGADRN NC(=O)CC1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(Cl)nc2)CC1 ZINC001303043374 1067586842 /nfs/dbraw/zinc/58/68/42/1067586842.db2.gz ILBYORHQNRGXRN-UHFFFAOYSA-N 0 0 454.962 3.088 20 0 JGADRN Cc1nnsc1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001304511405 1067586882 /nfs/dbraw/zinc/58/68/82/1067586882.db2.gz BHOMQHXJJUPVKY-OAHLLOKOSA-N 0 0 481.548 3.447 20 0 JGADRN NC(=O)CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001303043751 1067587168 /nfs/dbraw/zinc/58/71/68/1067587168.db2.gz ANWHUBIKPCOOOK-UHFFFAOYSA-N 0 0 462.526 3.067 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001304511434 1067587201 /nfs/dbraw/zinc/58/72/01/1067587201.db2.gz CCXLLLYFZIIVQU-NLFFAJNJSA-N 0 0 455.603 3.164 20 0 JGADRN NC(=O)CC1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001303044016 1067587470 /nfs/dbraw/zinc/58/74/70/1067587470.db2.gz HYXXFQIZYAGVIP-UHFFFAOYSA-N 0 0 454.962 3.088 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2C[C@](C)(O)C(C)C)c1 ZINC001304511787 1067587969 /nfs/dbraw/zinc/58/79/69/1067587969.db2.gz BGLSWBUVHCSXQW-LOSJGSFVSA-N 0 0 468.602 3.058 20 0 JGADRN NC(=O)CC1CCN(c2nnc(-c3ccccn3)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001303044582 1067588112 /nfs/dbraw/zinc/58/81/12/1067588112.db2.gz YEVXSLONNJUPAF-UHFFFAOYSA-N 0 0 465.505 3.150 20 0 JGADRN NC(=O)CCC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(Br)n2)CC1 ZINC001303044923 1067588128 /nfs/dbraw/zinc/58/81/28/1067588128.db2.gz CVZMZCPJABLHKC-KRWDZBQOSA-N 0 0 477.407 3.207 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(F)c2F)CC1 ZINC001303044921 1067588148 /nfs/dbraw/zinc/58/81/48/1067588148.db2.gz CVCQEYMNOORZMV-UHFFFAOYSA-N 0 0 454.525 3.267 20 0 JGADRN NC(=O)CC1CCN(c2nnc(Cc3ccccn3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001303044563 1067588170 /nfs/dbraw/zinc/58/81/70/1067588170.db2.gz WXWXKBLZLJIZJE-UHFFFAOYSA-N 0 0 493.578 3.020 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@H]2CCC(F)(F)C2)c1 ZINC001304512062 1067588160 /nfs/dbraw/zinc/58/81/60/1067588160.db2.gz KRBOAMPHYQLXHK-ROUUACIJSA-N 0 0 483.585 3.071 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2F)CC1 ZINC001303045095 1067588384 /nfs/dbraw/zinc/58/83/84/1067588384.db2.gz GHISUSORSMHSBX-UHFFFAOYSA-N 0 0 488.564 3.078 20 0 JGADRN CC(C)CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001303044964 1067588407 /nfs/dbraw/zinc/58/84/07/1067588407.db2.gz JIVNZVMUXBTAOA-FQEVSTJZSA-N 0 0 483.535 3.462 20 0 JGADRN NC(=O)CCC1CCN(c2nnc(Cc3cccnc3)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001303045134 1067588412 /nfs/dbraw/zinc/58/84/12/1067588412.db2.gz HGXJXEPPVGGFRG-UHFFFAOYSA-N 0 0 493.559 3.464 20 0 JGADRN NC(=O)CCC1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001303045835 1067588714 /nfs/dbraw/zinc/58/87/14/1067588714.db2.gz NAZLYDYFOAMRIA-HNNXBMFYSA-N 0 0 467.492 3.053 20 0 JGADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(COc3cccc(C)c3)n2CCOC(C)C)CC1 ZINC001304512217 1067588909 /nfs/dbraw/zinc/58/89/09/1067588909.db2.gz NSORGPVJUGHADH-UHFFFAOYSA-N 0 0 481.645 3.263 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)c1 ZINC001304512245 1067588929 /nfs/dbraw/zinc/58/89/29/1067588929.db2.gz GLGSAQJWHHVZLX-RPBOFIJWSA-N 0 0 455.603 3.285 20 0 JGADRN NC(=O)COC1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(Br)cc2)CC1 ZINC001303046010 1067589038 /nfs/dbraw/zinc/58/90/38/1067589038.db2.gz HIRZUZPLQGMUNT-UHFFFAOYSA-N 0 0 490.446 3.487 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001304512513 1067589281 /nfs/dbraw/zinc/58/92/81/1067589281.db2.gz QLKVVIAYJNJVKR-RUZDIDTESA-N 0 0 483.638 3.439 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2Cc2nccn2C(F)F)c1 ZINC001304512490 1067589347 /nfs/dbraw/zinc/58/93/47/1067589347.db2.gz QBJCNVKYHQBTNM-SFHVURJKSA-N 0 0 487.555 3.499 20 0 JGADRN CC(C)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC001303047641 1067589685 /nfs/dbraw/zinc/58/96/85/1067589685.db2.gz MSGIFYFOWDPBOV-NRFANRHFSA-N 0 0 452.603 3.386 20 0 JGADRN CC(C)CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001303048716 1067589964 /nfs/dbraw/zinc/58/99/64/1067589964.db2.gz DCWYCVGWGJPKOZ-UHFFFAOYSA-N 0 0 496.703 3.078 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001304512976 1067589971 /nfs/dbraw/zinc/58/99/71/1067589971.db2.gz NYGKACDBVZIVDZ-LEWJYISDSA-N 0 0 487.601 3.074 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[C@H](C(F)F)N2CCOCC2)c1 ZINC001304512957 1067590001 /nfs/dbraw/zinc/59/00/01/1067590001.db2.gz NJALUEJEQLDTOV-FGZHOGPDSA-N 0 0 493.599 3.383 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCO[C@@]4(CCO[C@@H]4C)C3)n2CCCOC(F)F)c1 ZINC001304513012 1067590398 /nfs/dbraw/zinc/59/03/98/1067590398.db2.gz OJNUFOWDRUPMES-VGSWGCGISA-N 0 0 452.502 3.179 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CCC(=O)NC(C)(C)C)c1 ZINC001304513297 1067590669 /nfs/dbraw/zinc/59/06/69/1067590669.db2.gz RWRYZOABVSMAML-NRFANRHFSA-N 0 0 473.618 3.101 20 0 JGADRN CC(C)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 ZINC001303050098 1067590783 /nfs/dbraw/zinc/59/07/83/1067590783.db2.gz OUHQKGSSSNMINA-HXUWFJFHSA-N 0 0 481.638 3.210 20 0 JGADRN CC(C)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 ZINC001303050097 1067590858 /nfs/dbraw/zinc/59/08/58/1067590858.db2.gz OUHQKGSSSNMINA-FQEVSTJZSA-N 0 0 481.638 3.210 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCCN(C)CC(F)(F)F)c1 ZINC001304513699 1067590996 /nfs/dbraw/zinc/59/09/96/1067590996.db2.gz WWRBUDDJSUBGJR-LEWJYISDSA-N 0 0 497.562 3.434 20 0 JGADRN CC(C)CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001303050720 1067591091 /nfs/dbraw/zinc/59/10/91/1067591091.db2.gz SJVRYNDRQINIBJ-SFTDATJTSA-N 0 0 454.598 3.092 20 0 JGADRN CC(C)CCN(C)c1nnc(Cc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001303050388 1067591181 /nfs/dbraw/zinc/59/11/81/1067591181.db2.gz QMSLNMVTPYTAAB-LJQANCHMSA-N 0 0 454.541 3.399 20 0 JGADRN NC(=O)COC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001303051608 1067591393 /nfs/dbraw/zinc/59/13/93/1067591393.db2.gz NQHYQAFBBTVSCC-MRXNPFEDSA-N 0 0 481.519 3.292 20 0 JGADRN NC(=O)Nc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCSCC2)cc1 ZINC001303051231 1067591482 /nfs/dbraw/zinc/59/14/82/1067591482.db2.gz DWRBUWSDZZTBPE-UHFFFAOYSA-N 0 0 462.377 3.128 20 0 JGADRN NC(=O)Nc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCCN(CC(F)(F)F)CC2)cc1 ZINC001303051997 1067591704 /nfs/dbraw/zinc/59/17/04/1067591704.db2.gz XRFRXVZFNJKOAT-GOSISDBHSA-N 0 0 481.523 3.133 20 0 JGADRN NC(=O)[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cc2F)C1 ZINC001303052020 1067591765 /nfs/dbraw/zinc/59/17/65/1067591765.db2.gz YIMWHOSHTYOYIR-LBPRGKRZSA-N 0 0 465.302 3.064 20 0 JGADRN Cc1cccc(OCCn2c(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)nnc2C(C)(C)C)c1 ZINC001304515484 1067591963 /nfs/dbraw/zinc/59/19/63/1067591963.db2.gz BEQDJTYLRSKVKV-LJQANCHMSA-N 0 0 463.648 3.071 20 0 JGADRN Cc1cccc2c1CCN(c1nnc([C@@H]3CCC(=O)N3)n1C[C@H](C)CNC(=O)OC(C)(C)C)C2 ZINC001304515430 1067592030 /nfs/dbraw/zinc/59/20/30/1067592030.db2.gz AARBNOVNQKFZMH-UZLBHIALSA-N 0 0 468.602 3.261 20 0 JGADRN Cc1cccc(OCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001304515372 1067592067 /nfs/dbraw/zinc/59/20/67/1067592067.db2.gz NBNKNAAEKIWOMY-QGZVFWFLSA-N 0 0 476.459 3.080 20 0 JGADRN Cc1cccc(OCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001304516193 1067592247 /nfs/dbraw/zinc/59/22/47/1067592247.db2.gz WFLXNXNXOPIPMC-IBGZPJMESA-N 0 0 481.601 3.417 20 0 JGADRN Cc1cccc(OCc2nnc(N3CCS(=O)(=O)C4(CCCCC4)C3)n2CCCCCO)c1 ZINC001304515988 1067592281 /nfs/dbraw/zinc/59/22/81/1067592281.db2.gz UEGOZEHKYUPTHD-UHFFFAOYSA-N 0 0 476.643 3.266 20 0 JGADRN NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCc2cc(Br)ccc2F)C1 ZINC001303052407 1067592376 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ZINC001303082461 1067616364 /nfs/dbraw/zinc/61/63/64/1067616364.db2.gz IOMQWCBNFFFOBV-UHFFFAOYSA-N 0 0 461.435 3.469 20 0 JGADRN CC(C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001303082579 1067616391 /nfs/dbraw/zinc/61/63/91/1067616391.db2.gz YKCMFESRVVDZQG-NRFANRHFSA-N 0 0 457.623 3.128 20 0 JGADRN O=C(Nc1ccccn1)c1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CCCOC(F)(F)F ZINC001303082807 1067616725 /nfs/dbraw/zinc/61/67/25/1067616725.db2.gz PCDUKEDRHNYPPK-SFHVURJKSA-N 0 0 490.486 3.300 20 0 JGADRN O=C(Nc1ccccn1)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCSC(F)(F)F ZINC001303082896 1067617082 /nfs/dbraw/zinc/61/70/82/1067617082.db2.gz SCOMTUNEGNUJJL-HNNXBMFYSA-N 0 0 470.521 3.431 20 0 JGADRN O=C(NC1CC1)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCSCCCO)C1 ZINC001303082971 1067617546 /nfs/dbraw/zinc/61/75/46/1067617546.db2.gz WBEWDMWXBCUGHI-HNNXBMFYSA-N 0 0 482.025 3.348 20 0 JGADRN Cc1ccccc1Cc1nnc(N(C)CCNC(=O)C(C)C)n1C[C@](C)(O)c1ccsc1 ZINC001304548872 1067617667 /nfs/dbraw/zinc/61/76/67/1067617667.db2.gz WGZLEJBRULNEKZ-DEOSSOPVSA-N 0 0 455.628 3.355 20 0 JGADRN O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(F)c(F)c2)C1 ZINC001303085392 1067618288 /nfs/dbraw/zinc/61/82/88/1067618288.db2.gz BAJVIASPRXMSES-INIZCTEOSA-N 0 0 494.468 3.290 20 0 JGADRN O=C(NCC(F)(F)F)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)c(F)c2)C1 ZINC001303085415 1067618300 /nfs/dbraw/zinc/61/83/00/1067618300.db2.gz BICPNEUKSFGVJD-CABCVRRESA-N 0 0 473.446 3.003 20 0 JGADRN O=C(NCC(F)(F)F)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)c(F)c2)C1 ZINC001303085420 1067618322 /nfs/dbraw/zinc/61/83/22/1067618322.db2.gz BICPNEUKSFGVJD-HUUCEWRRSA-N 0 0 473.446 3.003 20 0 JGADRN O=C(NCC(F)(F)F)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(F)c(F)c2)C1 ZINC001303085395 1067618350 /nfs/dbraw/zinc/61/83/50/1067618350.db2.gz BAJVIASPRXMSES-MRXNPFEDSA-N 0 0 494.468 3.290 20 0 JGADRN Cc1ccccc1Cc1nnc(N(CCC(C)C)C2CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001304549447 1067618393 /nfs/dbraw/zinc/61/83/93/1067618393.db2.gz NLAAKRWARFMGCL-HXUWFJFHSA-N 0 0 459.660 3.474 20 0 JGADRN O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCCCC2)C1 ZINC001303085630 1067618517 /nfs/dbraw/zinc/61/85/17/1067618517.db2.gz CZDHWCSLCIJDFB-KRWDZBQOSA-N 0 0 457.541 3.211 20 0 JGADRN O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(F)ccc2F)C1 ZINC001303086061 1067618936 /nfs/dbraw/zinc/61/89/36/1067618936.db2.gz HRDDFWQBYMEGIA-KBPBESRZSA-N 0 0 473.446 3.003 20 0 JGADRN CC(C)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001303085938 1067619063 /nfs/dbraw/zinc/61/90/63/1067619063.db2.gz BOTITYRSDREJQM-GOSISDBHSA-N 0 0 465.595 3.047 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1CCCS(C)(=O)=O ZINC001304550224 1067619264 /nfs/dbraw/zinc/61/92/64/1067619264.db2.gz HWWSWVHYVAOHSI-IBGZPJMESA-N 0 0 452.571 3.484 20 0 JGADRN O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(F)c(F)c2)C1 ZINC001303086427 1067619290 /nfs/dbraw/zinc/61/92/90/1067619290.db2.gz IVKCKYJIWZIBRT-HNNXBMFYSA-N 0 0 466.414 3.171 20 0 JGADRN O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc(C3CCCC3)n2CCCOC[C@H]2CCCO2)C1 ZINC001303086398 1067619323 /nfs/dbraw/zinc/61/93/23/1067619323.db2.gz IQMQCXORYMPPLW-ZWKOTPCHSA-N 0 0 473.540 3.026 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1CC(=O)NCC(F)F ZINC001304550364 1067619681 /nfs/dbraw/zinc/61/96/81/1067619681.db2.gz IBLVRUYDSIDJKU-QGZVFWFLSA-N 0 0 453.484 3.430 20 0 JGADRN O=C(NCC(F)(F)F)C1CCN(c2nnc(Cc3ccccc3F)n2[C@@H]2C[C@H]2CF)CC1 ZINC001303086640 1067619814 /nfs/dbraw/zinc/61/98/14/1067619814.db2.gz KLFYNFUMQTWYHL-DOTOQJQBSA-N 0 0 457.447 3.433 20 0 JGADRN CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001303086465 1067619830 /nfs/dbraw/zinc/61/98/30/1067619830.db2.gz GNLMPCQNXALKJT-RTBURBONSA-N 0 0 455.669 3.103 20 0 JGADRN CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cnccn2)CC1 ZINC001303086810 1067620086 /nfs/dbraw/zinc/62/00/86/1067620086.db2.gz HTQTZECDRNHVPT-KDURUIRLSA-N 0 0 470.622 3.212 20 0 JGADRN O=C(NCC(F)(F)F)[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001303086753 1067620130 /nfs/dbraw/zinc/62/01/30/1067620130.db2.gz LPDXIISMXTXLHB-GFCCVEGCSA-N 0 0 487.408 3.240 20 0 JGADRN COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C ZINC001303086993 1067620475 /nfs/dbraw/zinc/62/04/75/1067620475.db2.gz RMRCQKDXLAJACK-CJFMBICVSA-N 0 0 456.514 3.463 20 0 JGADRN O=C(NCc1ccc(Cl)cc1)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCOCC(F)F ZINC001303087377 1067621126 /nfs/dbraw/zinc/62/11/26/1067621126.db2.gz DXRICRHIVCTGLQ-DLBZAZTESA-N 0 0 483.947 3.006 20 0 JGADRN O=C(NCC(F)(F)F)C1CCN(c2nnc(Cc3ccncc3)n2CC2CCCC2)CC1 ZINC001303087574 1067621131 /nfs/dbraw/zinc/62/11/31/1067621131.db2.gz QMHWLBPAKURELB-UHFFFAOYSA-N 0 0 450.509 3.349 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCSCC(F)(F)F ZINC001304551540 1067621156 /nfs/dbraw/zinc/62/11/56/1067621156.db2.gz BHRDXJSPWWARNG-INIZCTEOSA-N 0 0 462.563 3.096 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CCC(Cl)=C(Cl)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001304551495 1067621162 /nfs/dbraw/zinc/62/11/62/1067621162.db2.gz SDZHIOJMRYLVLS-KRWDZBQOSA-N 0 0 463.369 3.065 20 0 JGADRN O=C(NCC(F)(F)F)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(F)c2F)CC1 ZINC001303087744 1067621382 /nfs/dbraw/zinc/62/13/82/1067621382.db2.gz RDIARBSISOUTQN-MRXNPFEDSA-N 0 0 487.473 3.198 20 0 JGADRN O=C(NCc1nnc(N(CCO)Cc2ccccc2)n1Cc1ccsc1)c1cccs1 ZINC001303087716 1067621395 /nfs/dbraw/zinc/62/13/95/1067621395.db2.gz IJRSOAFQNZICIN-UHFFFAOYSA-N 0 0 453.593 3.378 20 0 JGADRN O=C(NCC(F)(F)F)[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCCOCC2CC2)C1 ZINC001303087616 1067621407 /nfs/dbraw/zinc/62/14/07/1067621407.db2.gz QYRBDYADIBFSQX-MRXNPFEDSA-N 0 0 469.483 3.406 20 0 JGADRN O=C(NCc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCCOC(F)F)c1cccs1 ZINC001303087847 1067621750 /nfs/dbraw/zinc/62/17/50/1067621750.db2.gz KSQBWZUDNOWVND-MRXNPFEDSA-N 0 0 469.558 3.152 20 0 JGADRN Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCCNC(=O)C(C)C ZINC001304552080 1067621779 /nfs/dbraw/zinc/62/17/79/1067621779.db2.gz INPUFQJJXVIYHG-QFQXNSOFSA-N 0 0 469.630 3.114 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CCC(CC(N)=O)CC2)n1Cc1cccnc1OCC(F)F ZINC001304552138 1067621806 /nfs/dbraw/zinc/62/18/06/1067621806.db2.gz WUKOWRHDJUSJJP-UHFFFAOYSA-N 0 0 484.551 3.356 20 0 JGADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cnn(C)c1 ZINC001303087990 1067622140 /nfs/dbraw/zinc/62/21/40/1067622140.db2.gz VUNXAFVVAKBZGL-IAGOWNOFSA-N 0 0 456.465 3.197 20 0 JGADRN Cc1ccccc1Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCNC(=O)c1ccco1 ZINC001304552797 1067622157 /nfs/dbraw/zinc/62/21/57/1067622157.db2.gz LTGUJFFHVBKCPD-QFBILLFUSA-N 0 0 477.487 3.356 20 0 JGADRN O=C(NCc1nnc(N2CCC(CCCO)CC2)n1CC(F)(F)Br)c1cccs1 ZINC001303088419 1067622823 /nfs/dbraw/zinc/62/28/23/1067622823.db2.gz QUCMGIIRNKXPBL-UHFFFAOYSA-N 0 0 492.390 3.246 20 0 JGADRN O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(F)ccc2F)C1 ZINC001303088575 1067623215 /nfs/dbraw/zinc/62/32/15/1067623215.db2.gz XRMJCIVPDICJMX-SUMWQHHRSA-N 0 0 473.446 3.351 20 0 JGADRN O=C(NCC1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CC=CCO2)CC1)C(F)(F)F ZINC001303088650 1067623221 /nfs/dbraw/zinc/62/32/21/1067623221.db2.gz AHVNYSMIEFAEGA-MRXNPFEDSA-N 0 0 467.467 3.324 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@H]1CSCCS1 ZINC001304554082 1067623297 /nfs/dbraw/zinc/62/32/97/1067623297.db2.gz WGUZYDAJKULOGO-SFHVURJKSA-N 0 0 466.698 3.039 20 0 JGADRN O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc(CC3CC3)n2CCSCC(F)(F)F)C1 ZINC001303088842 1067623608 /nfs/dbraw/zinc/62/36/08/1067623608.db2.gz ZYNXAAOFBCYUNK-LBPRGKRZSA-N 0 0 459.460 3.031 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001304554997 1067623674 /nfs/dbraw/zinc/62/36/74/1067623674.db2.gz AYJTWIGJPJQCLK-HMXCVIKNSA-N 0 0 459.660 3.379 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CCCS(C)(=O)=O ZINC001304554258 1067623750 /nfs/dbraw/zinc/62/37/50/1067623750.db2.gz YSCTVAHNSFKNRS-HSZRJFAPSA-N 0 0 490.670 3.167 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@@H]1CC[C@H](C)C1 ZINC001304554993 1067623761 /nfs/dbraw/zinc/62/37/61/1067623761.db2.gz AYJTWIGJPJQCLK-CEWLAPEOSA-N 0 0 459.660 3.379 20 0 JGADRN O=C(NCc1ccc(Cl)cc1)c1nnc(N2CCCOCC2)n1CCSCC(F)(F)F ZINC001303088873 1067624019 /nfs/dbraw/zinc/62/40/19/1067624019.db2.gz SZAAKCAEDMKESI-UHFFFAOYSA-N 0 0 477.940 3.384 20 0 JGADRN O=C(NCC(F)(F)F)C1CCN(c2nnc(COc3ccc(F)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001303089218 1067624391 /nfs/dbraw/zinc/62/43/91/1067624391.db2.gz XROOJAHHIDYTQW-WMLDXEAASA-N 0 0 473.446 3.422 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CCC(=O)NC(C)(C)C ZINC001304555961 1067624416 /nfs/dbraw/zinc/62/44/16/1067624416.db2.gz FFGNFUIWKCSCFC-OAQYLSRUSA-N 0 0 466.630 3.073 20 0 JGADRN Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCNC(=O)C(C)(C)C ZINC001304555865 1067624504 /nfs/dbraw/zinc/62/45/04/1067624504.db2.gz DFUVPNVMHVZPQY-NRFANRHFSA-N 0 0 468.646 3.081 20 0 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CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001305324157 1068544673 /nfs/dbraw/zinc/54/46/73/1068544673.db2.gz RTFCCHJOVHOQMN-SSOJOUAXSA-N 0 0 471.602 3.212 20 0 JGADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001303902223 1068545342 /nfs/dbraw/zinc/54/53/42/1068545342.db2.gz MUJRXUNGKFYZQT-QVKFZJNVSA-N 0 0 464.588 3.095 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305324983 1068545617 /nfs/dbraw/zinc/54/56/17/1068545617.db2.gz VGTPDHVVXXNMJH-JMERFSKESA-N 0 0 470.437 3.268 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001305324867 1068545639 /nfs/dbraw/zinc/54/56/39/1068545639.db2.gz CWAPVNQETZTCKN-YZZKKUAISA-N 0 0 463.026 3.344 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)Cc1ccco1 ZINC001305324822 1068545650 /nfs/dbraw/zinc/54/56/50/1068545650.db2.gz CKBCOYSGNQQUIH-IXFSTUDKSA-N 0 0 476.599 3.370 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCNS(C)(=O)=O ZINC001303902379 1068546126 /nfs/dbraw/zinc/54/61/26/1068546126.db2.gz XAQPXKMDVPESKL-FXAWDEMLSA-N 0 0 497.637 3.280 20 0 JGADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001303902677 1068546588 /nfs/dbraw/zinc/54/65/88/1068546588.db2.gz PBFKYPMXOVKIHQ-UEXGIBASSA-N 0 0 480.606 3.243 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001305325779 1068546916 /nfs/dbraw/zinc/54/69/16/1068546916.db2.gz WWTMURWRJLGINR-DDZJLLFASA-N 0 0 485.412 3.409 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001305325799 1068547161 /nfs/dbraw/zinc/54/71/61/1068547161.db2.gz KFAPSQWHMMQRFZ-GAJHUEQPSA-N 0 0 459.664 3.084 20 0 JGADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001303903463 1068547477 /nfs/dbraw/zinc/54/74/77/1068547477.db2.gz RLIXEXPDKGXMIQ-BBTUJRGHSA-N 0 0 480.606 3.243 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 ZINC001305325953 1068547610 /nfs/dbraw/zinc/54/76/10/1068547610.db2.gz GFBXQHSDLFHJAG-AIDSWVIKSA-N 0 0 459.639 3.168 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](c3cnn(C)c3)C2)n1CCNC(=O)C(C)(C)C ZINC001303904114 1068547915 /nfs/dbraw/zinc/54/79/15/1068547915.db2.gz VXQHAALHSHNXGU-LAUBAEHRSA-N 0 0 499.591 3.031 20 0 JGADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCSC[C@@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001303904770 1068549104 /nfs/dbraw/zinc/54/91/04/1068549104.db2.gz DZLSLIVLIDMFFF-JKSUJKDBSA-N 0 0 468.620 3.324 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCN1CCOCC1 ZINC001305326707 1068549288 /nfs/dbraw/zinc/54/92/88/1068549288.db2.gz KARVGHXLMKQYEO-KBMIEXCESA-N 0 0 468.602 3.166 20 0 JGADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCCOC(F)F ZINC001303904757 1068549277 /nfs/dbraw/zinc/54/92/77/1068549277.db2.gz DVIYPDKLUFZLEI-CPUCHLNUSA-N 0 0 469.464 3.121 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 ZINC001305326921 1068549734 /nfs/dbraw/zinc/54/97/34/1068549734.db2.gz ZMLOQDKYZJNQHA-UPHOHHOISA-N 0 0 458.603 3.478 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 ZINC001303905164 1068550047 /nfs/dbraw/zinc/55/00/47/1068550047.db2.gz JWNPNYVDXKUOIB-VDZJLULYSA-N 0 0 466.991 3.040 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 ZINC001305327193 1068550353 /nfs/dbraw/zinc/55/03/53/1068550353.db2.gz JBTJTSSAQXYVLF-RLSLOFABSA-N 0 0 490.670 3.334 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 ZINC001305327195 1068550411 /nfs/dbraw/zinc/55/04/11/1068550411.db2.gz JBTJTSSAQXYVLF-WZOHSFFVSA-N 0 0 490.670 3.334 20 0 JGADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCSC[C@@H]2C)n1CC(=O)NCC(F)(F)F ZINC001303905462 1068550439 /nfs/dbraw/zinc/55/04/39/1068550439.db2.gz PYSAXAITLCZFNN-QWHCGFSZSA-N 0 0 461.485 3.177 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCSC2)n1CCNC(=O)c1ccn[nH]1 ZINC001303905551 1068550574 /nfs/dbraw/zinc/55/05/74/1068550574.db2.gz RXSCLKUAAJPBMQ-GOEBONIOSA-N 0 0 476.006 3.166 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCNC(=O)OC(C)(C)C ZINC001303905795 1068550903 /nfs/dbraw/zinc/55/09/03/1068550903.db2.gz WRDVFYRDIQWCBA-ZYSHUDEJSA-N 0 0 477.537 3.034 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCc1ccncc1 ZINC001303905762 1068550915 /nfs/dbraw/zinc/55/09/15/1068550915.db2.gz VREIMKDKARKXKP-QFBILLFUSA-N 0 0 476.002 3.333 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305327763 1068551276 /nfs/dbraw/zinc/55/12/76/1068551276.db2.gz PNSKCZWHDVCXMR-YZZKKUAISA-N 0 0 464.632 3.154 20 0 JGADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001303905848 1068551354 /nfs/dbraw/zinc/55/13/54/1068551354.db2.gz XHFKWYHIGHCUDA-FCEWJHQRSA-N 0 0 498.525 3.014 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001305327741 1068551400 /nfs/dbraw/zinc/55/14/00/1068551400.db2.gz PEMRNPIXAWZQEM-UQBPGWFLSA-N 0 0 454.619 3.366 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001305328176 1068551821 /nfs/dbraw/zinc/55/18/21/1068551821.db2.gz LPGCCWROMMANPB-SXVTUYLSSA-N 0 0 463.623 3.372 20 0 JGADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001305328389 1068552206 /nfs/dbraw/zinc/55/22/06/1068552206.db2.gz OSFXYSMDASRZBV-ZCVOSGHJSA-N 0 0 457.497 3.438 20 0 JGADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCS(C)(=O)=O)n1CCc1ccccn1 ZINC001303906415 1068552204 /nfs/dbraw/zinc/55/22/04/1068552204.db2.gz HNNMLSRDWOYIDD-MRXNPFEDSA-N 0 0 463.991 3.190 20 0 JGADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1Cc1cn(C2COC2)nn1 ZINC001303906452 1068552257 /nfs/dbraw/zinc/55/22/57/1068552257.db2.gz IOLPPOYDUVXDFA-CYBMUJFWSA-N 0 0 467.908 3.374 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305329135 1068552638 /nfs/dbraw/zinc/55/26/38/1068552638.db2.gz QREJXQXLOKBDQX-QMHKHESXSA-N 0 0 459.595 3.026 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 ZINC001305328571 1068552824 /nfs/dbraw/zinc/55/28/24/1068552824.db2.gz FAUCKZDPNGQINI-NXQMDHLFSA-N 0 0 455.603 3.383 20 0 JGADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N(CC)Cc1nc2ccsc2c(=O)[nH]1 ZINC001305329164 1068553214 /nfs/dbraw/zinc/55/32/14/1068553214.db2.gz QXMWDPLJQMDJHF-PEBXRYMYSA-N 0 0 470.603 3.213 20 0 JGADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@]1(C)CN(C)C1=O ZINC001303907021 1068553314 /nfs/dbraw/zinc/55/33/14/1068553314.db2.gz PYDFZKXXBKVZAT-GYCJOSAFSA-N 0 0 492.020 3.385 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001305329211 1068553880 /nfs/dbraw/zinc/55/38/80/1068553880.db2.gz RGGSDSPXHRLNKL-LLJLJFOGSA-N 0 0 475.659 3.493 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ncccc1N(C)C ZINC001303907062 1068553936 /nfs/dbraw/zinc/55/39/36/1068553936.db2.gz QAUPHIQBRPLPJT-SJORKVTESA-N 0 0 484.004 3.248 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001305329562 1068554733 /nfs/dbraw/zinc/55/47/33/1068554733.db2.gz HHPWRBLUHCMLFB-FJRUVBMXSA-N 0 0 492.665 3.156 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001305329566 1068554840 /nfs/dbraw/zinc/55/48/40/1068554840.db2.gz HHPWRBLUHCMLFB-MQDRFIBZSA-N 0 0 492.665 3.156 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305330305 1068555271 /nfs/dbraw/zinc/55/52/71/1068555271.db2.gz UOSGEWDZVHIFIO-LLJLJFOGSA-N 0 0 473.622 3.225 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305330303 1068555308 /nfs/dbraw/zinc/55/53/08/1068555308.db2.gz UOSGEWDZVHIFIO-HOOSLVGPSA-N 0 0 473.622 3.225 20 0 JGADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCC2)n1CCNC(=O)c1ccn[nH]1 ZINC001303907827 1068555303 /nfs/dbraw/zinc/55/53/03/1068555303.db2.gz ZXJSPVBSIQXKAG-OAHLLOKOSA-N 0 0 457.966 3.461 20 0 JGADRN COc1ccc(C(=O)N=S2(=O)CCCC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC001303908249 1068555314 /nfs/dbraw/zinc/55/53/14/1068555314.db2.gz NLLCVCUUCUXXCK-UHFFFAOYSA-N 0 0 456.973 3.229 20 0 JGADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001305329967 1068555423 /nfs/dbraw/zinc/55/54/23/1068555423.db2.gz TXYVYWZDCDAQFQ-BVZFJXPGSA-N 0 0 481.576 3.024 20 0 JGADRN CC[C@H](C)[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC001305330272 1068555874 /nfs/dbraw/zinc/55/58/74/1068555874.db2.gz IYSWRVPXBSKMBT-KDYSTLNUSA-N 0 0 482.673 3.171 20 0 JGADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1nccn1C(F)F ZINC001303908872 1068555849 /nfs/dbraw/zinc/55/58/49/1068555849.db2.gz GUBKVHWXVDYEHF-STQMWFEESA-N 0 0 465.892 3.023 20 0 JGADRN 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