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CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC2([S@](C)=O)CC2)CC1 ZINC001501906859 1069791454 /nfs/dbraw/zinc/79/14/54/1069791454.db2.gz PIQKLEFWKICFRX-HKBQPEDESA-N 0 3 452.669 1.768 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001501906826 1069791632 /nfs/dbraw/zinc/79/16/32/1069791632.db2.gz OUTVSWNSWDQUIY-MBSDFSHPSA-N 0 3 450.628 1.397 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001501907591 1069795050 /nfs/dbraw/zinc/79/50/50/1069795050.db2.gz XTCXMAGVHCMYIC-RTBURBONSA-N 0 3 450.628 1.834 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(C)cn2)CC1 ZINC001501907540 1069795165 /nfs/dbraw/zinc/79/51/65/1069795165.db2.gz WWLGBUNRNQPQPA-HXUWFJFHSA-N 0 3 458.611 1.368 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001501907402 1069793093 /nfs/dbraw/zinc/79/30/93/1069793093.db2.gz VXSOORKIISZASV-DVECYGJZSA-N 0 3 462.639 1.714 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001501909679 1069799273 /nfs/dbraw/zinc/79/92/73/1069799273.db2.gz FSDNLHFEOOIUCR-LEWJYISDSA-N 0 3 489.665 1.596 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)CC)CC1 ZINC001501907631 1069795414 /nfs/dbraw/zinc/79/54/14/1069795414.db2.gz YGGZZHWJPPCBJG-OFVILXPXSA-N 0 3 486.617 1.942 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001501907590 1069795768 /nfs/dbraw/zinc/79/57/68/1069795768.db2.gz XTCXMAGVHCMYIC-RBUKOAKNSA-N 0 3 450.628 1.834 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCc2ccn(C)n2)CC1 ZINC001501907546 1069795824 /nfs/dbraw/zinc/79/58/24/1069795824.db2.gz WZEPYATUXXXIEK-UHFFFAOYSA-N 0 3 482.608 1.975 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)C(C)C)CC1 ZINC001501909838 1069799814 /nfs/dbraw/zinc/79/98/14/1069799814.db2.gz HOZZFRQYJMPDNO-XMMPIXPASA-N 0 3 474.654 1.537 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001501907798 1069797558 /nfs/dbraw/zinc/79/75/58/1069797558.db2.gz ZSHLYDBUCORQGU-RUZDIDTESA-N 0 3 481.601 1.755 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N(C)C)CC1 ZINC001501910223 1069800012 /nfs/dbraw/zinc/80/00/12/1069800012.db2.gz OSRZLLZHBNEGSW-UHFFFAOYSA-N 0 3 461.636 1.399 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001501909456 1069797742 /nfs/dbraw/zinc/79/77/42/1069797742.db2.gz AXKKTVAXIXHZDX-JGCGQSQUSA-N 0 3 478.688 1.832 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2COCCO2)CC1 ZINC001501909885 1069800126 /nfs/dbraw/zinc/80/01/26/1069800126.db2.gz JETQMLLMDYQDDQ-IBGZPJMESA-N 0 3 490.580 1.402 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501910126 1069800142 /nfs/dbraw/zinc/80/01/42/1069800142.db2.gz OHVXWYVUWLDIRK-OAQYLSRUSA-N 0 3 497.644 1.743 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2Cc2ccn(C)n2)CC1 ZINC001501910684 1069800838 /nfs/dbraw/zinc/80/08/38/1069800838.db2.gz XQOXNNSFPDBWOD-UHFFFAOYSA-N 0 3 484.580 1.768 20 0 JDADHN CCN1CCN(Cc2ccc(CNC(=O)Nc3ccn(CCN4CC[NH+]=C4[O-])n3)cc2)CC1 ZINC001477113683 1069801773 /nfs/dbraw/zinc/80/17/73/1069801773.db2.gz UCZGCJBGQAEWDA-UHFFFAOYSA-N 0 3 454.579 1.368 20 0 JDADHN CCN1CCN(Cc2ccc(CNC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC001477251204 1069808081 /nfs/dbraw/zinc/80/80/81/1069808081.db2.gz ZHWDBPFEBOJMHR-UHFFFAOYSA-N 0 3 451.637 1.390 20 0 JDADHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)c1 ZINC001477275402 1069810508 /nfs/dbraw/zinc/81/05/08/1069810508.db2.gz SICNLWVJXVVDQO-QHCPKHFHSA-N 0 3 457.619 1.976 20 0 JDADHN C[C@H]1C[C@H](NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C(=O)N1c1cnn(C)c1 ZINC001477318449 1069812270 /nfs/dbraw/zinc/81/22/70/1069812270.db2.gz PJYYKKFSTWJIFZ-UGKGYDQZSA-N 0 3 453.591 1.421 20 0 JDADHN C[C@H]1C[C@@H](NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C(=O)N1c1cnn(C)c1 ZINC001477318448 1069812366 /nfs/dbraw/zinc/81/23/66/1069812366.db2.gz PJYYKKFSTWJIFZ-SIKLNZKXSA-N 0 3 453.591 1.421 20 0 JDADHN CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001477318594 1069812397 /nfs/dbraw/zinc/81/23/97/1069812397.db2.gz TXZMFQRDIQCRKG-VWLOTQADSA-N 0 3 459.635 1.109 20 0 JDADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001501983200 1069812534 /nfs/dbraw/zinc/81/25/34/1069812534.db2.gz YOKLUCLAGKCDEH-QRVBRYPASA-N 0 3 462.620 1.963 20 0 JDADHN C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001477320543 1069812664 /nfs/dbraw/zinc/81/26/64/1069812664.db2.gz VYVXODJAOSJTNK-UWJYYQICSA-N 0 3 457.575 1.353 20 0 JDADHN Cn1ccnc1[C@](O)(CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)C(F)(F)F ZINC001477377120 1069816914 /nfs/dbraw/zinc/81/69/14/1069816914.db2.gz HUWCWMLDHIDNHX-VQTJNVASSA-N 0 3 455.481 1.496 20 0 JDADHN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC001477436176 1069823946 /nfs/dbraw/zinc/82/39/46/1069823946.db2.gz NASZYTFPGIGYIY-HXUWFJFHSA-N 0 3 452.607 1.909 20 0 JDADHN CCN(Cc1cnn(C)c1)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1 ZINC001502067783 1069821473 /nfs/dbraw/zinc/82/14/73/1069821473.db2.gz SOUKVYOJVZLQKL-SFTDATJTSA-N 0 3 474.654 1.788 20 0 JDADHN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@H]1CCN1C1CCOCC1 ZINC001477461213 1069825492 /nfs/dbraw/zinc/82/54/92/1069825492.db2.gz IKJUFEHAEAOHSG-HXUWFJFHSA-N 0 3 450.605 1.914 20 0 JDADHN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC001477492946 1069827234 /nfs/dbraw/zinc/82/72/34/1069827234.db2.gz ZAOXSWMPYPSGJV-JOCHJYFZSA-N 0 3 457.619 1.884 20 0 JDADHN Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC001477492950 1069827395 /nfs/dbraw/zinc/82/73/95/1069827395.db2.gz ZAOXSWMPYPSGJV-QFIPXVFZSA-N 0 3 457.619 1.884 20 0 JDADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001477582920 1069835579 /nfs/dbraw/zinc/83/55/79/1069835579.db2.gz ZISJWTMXMPGBHI-INIZCTEOSA-N 0 3 454.413 1.937 20 0 JDADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001477582921 1069835685 /nfs/dbraw/zinc/83/56/85/1069835685.db2.gz ZISJWTMXMPGBHI-MRXNPFEDSA-N 0 3 454.413 1.937 20 0 JDADHN CCN(CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)(C)C)CC1)S(C)(=O)=O ZINC001502181881 1069836258 /nfs/dbraw/zinc/83/62/58/1069836258.db2.gz BELFEFFHSXOSKO-UHFFFAOYSA-N 0 3 452.629 1.271 20 0 JDADHN CCN(CCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1C(C)(C)C)S(C)(=O)=O ZINC001502183795 1069842364 /nfs/dbraw/zinc/84/23/64/1069842364.db2.gz CWOXVGBFJYYUFU-UHFFFAOYSA-N 0 3 470.684 1.796 20 0 JDADHN CCN(CCCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1)S(C)(=O)=O ZINC001502182890 1069839473 /nfs/dbraw/zinc/83/94/73/1069839473.db2.gz GEUBLIRTSUYPEV-UHFFFAOYSA-N 0 3 491.662 1.237 20 0 JDADHN CCc1ccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCCNS(C)(=O)=O)cc1 ZINC001546217690 1069845530 /nfs/dbraw/zinc/84/55/30/1069845530.db2.gz HSGCFUNGIPTZJC-FQEVSTJZSA-N 0 3 476.647 1.605 20 0 JDADHN CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C1CC1 ZINC001502185156 1069845877 /nfs/dbraw/zinc/84/58/77/1069845877.db2.gz VRPAIYINGHRAEF-UHFFFAOYSA-N 0 3 469.590 1.569 20 0 JDADHN CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C1CC1 ZINC001502185156 1069845880 /nfs/dbraw/zinc/84/58/80/1069845880.db2.gz VRPAIYINGHRAEF-UHFFFAOYSA-N 0 3 469.590 1.569 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001477710552 1069846620 /nfs/dbraw/zinc/84/66/20/1069846620.db2.gz HWCYSDAIGXDQHX-GOSISDBHSA-N 0 3 452.987 1.515 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001477710992 1069846950 /nfs/dbraw/zinc/84/69/50/1069846950.db2.gz SIOXZQGXQRGGKT-ZWKOTPCHSA-N 0 3 455.600 1.254 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1 ZINC001477711257 1069846976 /nfs/dbraw/zinc/84/69/76/1069846976.db2.gz ZPUKBMCKGHXCMC-LJQANCHMSA-N 0 3 451.593 1.333 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001477710990 1069847058 /nfs/dbraw/zinc/84/70/58/1069847058.db2.gz SIOXZQGXQRGGKT-QZTJIDSGSA-N 0 3 455.600 1.254 20 0 JDADHN CCN(CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1)CCC(F)(F)F ZINC001502193651 1069849754 /nfs/dbraw/zinc/84/97/54/1069849754.db2.gz KTJHCHTZNDBEHO-UHFFFAOYSA-N 0 3 470.544 1.758 20 0 JDADHN CCN(CCn1c(-c2cccn2C)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)CCC(F)(F)F ZINC001502193555 1069849779 /nfs/dbraw/zinc/84/97/79/1069849779.db2.gz HVQBEBQBRDJFBG-NVXWUHKLSA-N 0 3 472.512 1.918 20 0 JDADHN CCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001502196680 1069852336 /nfs/dbraw/zinc/85/23/36/1069852336.db2.gz ZEPDICJJMXPIBY-MSOLQXFVSA-N 0 3 487.571 1.662 20 0 JDADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCn2nc(C)nc2C1)CCC(F)(F)F ZINC001502194489 1069850064 /nfs/dbraw/zinc/85/00/64/1069850064.db2.gz IDENZKVBLUQZQD-UHFFFAOYSA-N 0 3 452.489 1.873 20 0 JDADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)CCC(F)(F)F ZINC001502194413 1069850100 /nfs/dbraw/zinc/85/01/00/1069850100.db2.gz GDWSIWLCDUHBBQ-LJQANCHMSA-N 0 3 470.500 1.984 20 0 JDADHN CN(C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001477752780 1069852462 /nfs/dbraw/zinc/85/24/62/1069852462.db2.gz AEURJHHWWYHCRS-OAQYLSRUSA-N 0 3 451.575 1.431 20 0 JDADHN CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)C(C)C ZINC001502196055 1069851483 /nfs/dbraw/zinc/85/14/83/1069851483.db2.gz IZVMJPNPLLKPCH-GOSISDBHSA-N 0 3 466.652 1.897 20 0 JDADHN CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001502196683 1069852805 /nfs/dbraw/zinc/85/28/05/1069852805.db2.gz ZEPDICJJMXPIBY-ZWKOTPCHSA-N 0 3 487.571 1.662 20 0 JDADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)C(C)C ZINC001502199057 1069853875 /nfs/dbraw/zinc/85/38/75/1069853875.db2.gz CPQNMVCXWVQOBR-SFHVURJKSA-N 0 3 497.735 1.914 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1)C(C)C ZINC001502199397 1069854613 /nfs/dbraw/zinc/85/46/13/1069854613.db2.gz KFBVLFXJKGCTJP-MOPGFXCFSA-N 0 3 457.641 1.541 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1)C(C)C ZINC001502199621 1069854952 /nfs/dbraw/zinc/85/49/52/1069854952.db2.gz POOADEHYPSNHHL-LJQANCHMSA-N 0 3 464.640 1.419 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001502199576 1069855209 /nfs/dbraw/zinc/85/52/09/1069855209.db2.gz OGWQOFPBUVWCFV-HSALFYBXSA-N 0 3 470.684 1.456 20 0 JDADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001502199898 1069855996 /nfs/dbraw/zinc/85/59/96/1069855996.db2.gz VLDJHZTXFHGLDB-SFHVURJKSA-N 0 3 484.667 1.968 20 0 JDADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1)C(C)C ZINC001502200100 1069856595 /nfs/dbraw/zinc/85/65/95/1069856595.db2.gz ZIFHBBJWGYFYCG-KRWDZBQOSA-N 0 3 480.601 1.985 20 0 JDADHN CCN(CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001502204330 1069857981 /nfs/dbraw/zinc/85/79/81/1069857981.db2.gz NVSYBDGFWIZCCJ-MRXNPFEDSA-N 0 3 468.649 1.623 20 0 JDADHN 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ZINC001478133938 1069899978 /nfs/dbraw/zinc/89/99/78/1069899978.db2.gz PRTOCDFEWUVLGF-UHFFFAOYSA-N 0 3 455.607 1.929 20 0 JDADHN COc1ccc(-n2cc(CNC(=O)N[C@H]3CCN(Cc4ccccc4)C[C@H]3CO)nn2)cc1 ZINC001478145143 1069904031 /nfs/dbraw/zinc/90/40/31/1069904031.db2.gz DHVHOGPPDWZUQI-CVDCTZTESA-N 0 3 450.543 1.958 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001502243057 1069910605 /nfs/dbraw/zinc/91/06/05/1069910605.db2.gz NWFXZYUBTBLOGN-HUUCEWRRSA-N 0 3 467.416 1.994 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC001502242538 1069908760 /nfs/dbraw/zinc/90/87/60/1069908760.db2.gz BNTKDBYOPIEIBP-ROUUACIJSA-N 0 3 492.646 1.818 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@@H]1C ZINC001502242957 1069910961 /nfs/dbraw/zinc/91/09/61/1069910961.db2.gz LQLSWCCAVPNKTR-PMACEKPBSA-N 0 3 497.644 1.948 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCCN(C)S(=O)(=O)CC)C[C@H]1C ZINC001502242792 1069910131 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1069952582 /nfs/dbraw/zinc/95/25/82/1069952582.db2.gz KVBWQGSQAGLRHX-VJANTYMQSA-N 0 3 472.656 1.201 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001502257913 1069954973 /nfs/dbraw/zinc/95/49/73/1069954973.db2.gz RAFAXAHGIBNFOY-JTDSTZFVSA-N 0 3 464.592 1.259 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001502259953 1069959564 /nfs/dbraw/zinc/95/95/64/1069959564.db2.gz SCSQSCNULUMWFQ-IRXDYDNUSA-N 0 3 452.600 1.866 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001502260404 1069959640 /nfs/dbraw/zinc/95/96/40/1069959640.db2.gz YLVAYRTZRPKGSF-OALUTQOASA-N 0 3 456.591 1.655 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(N)=O)c2)C[C@@H]1C ZINC001502260871 1069959847 /nfs/dbraw/zinc/95/98/47/1069959847.db2.gz DJUGSGVFUKNIIS-ROUUACIJSA-N 0 3 453.591 1.661 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001502259952 1069960087 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1.672 20 0 JDADHN Cc1cc(N2CCC[C@H](N3CCN(C(=O)NC[C@@H]4N(C)CCCC4(C)C)CC3)C2=O)n(C)n1 ZINC001478585867 1070022863 /nfs/dbraw/zinc/02/28/63/1070022863.db2.gz XXFQMBZGFHLYGC-PMACEKPBSA-N 0 3 459.639 1.672 20 0 JDADHN CN(C)CCN1CCN(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1=O ZINC001478594402 1070023964 /nfs/dbraw/zinc/02/39/64/1070023964.db2.gz XWBOZVTYYUOOLL-UHFFFAOYSA-N 0 3 450.483 1.024 20 0 JDADHN O=C(CN1CCCC1)N1CCN(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC001478605893 1070029026 /nfs/dbraw/zinc/02/90/26/1070029026.db2.gz OFIGUBIRMOGZOE-UHFFFAOYSA-N 0 3 450.971 1.222 20 0 JDADHN C[C@@H]1CN(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)CC[C@@H]1N1CCN(C)CC1 ZINC001478627746 1070033978 /nfs/dbraw/zinc/03/39/78/1070033978.db2.gz MHWPWQLBKFJCOS-AABGKKOBSA-N 0 3 453.628 1.680 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001502292586 1070035205 /nfs/dbraw/zinc/03/52/05/1070035205.db2.gz UPIAHYSRLDISMC-GOSISDBHSA-N 0 3 470.578 1.095 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001502292918 1070035560 /nfs/dbraw/zinc/03/55/60/1070035560.db2.gz ZGXUAKYNRKRJHZ-GOSISDBHSA-N 0 3 469.656 1.199 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 ZINC001502292704 1070035712 /nfs/dbraw/zinc/03/57/12/1070035712.db2.gz WLFFYQKTFSGYGE-GOSISDBHSA-N 0 3 470.578 1.095 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001502292784 1070035819 /nfs/dbraw/zinc/03/58/19/1070035819.db2.gz XKSLGWPDFMXILP-GOSISDBHSA-N 0 3 490.634 1.318 20 0 JDADHN CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)Cc2ccc(F)cc2)CC1=O ZINC001502301842 1070047189 /nfs/dbraw/zinc/04/71/89/1070047189.db2.gz RJXCJJYBVBMYLP-KRWDZBQOSA-N 0 3 495.625 1.218 20 0 JDADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC001478771956 1070049970 /nfs/dbraw/zinc/04/99/70/1070049970.db2.gz VFRBMJOCNTWHBT-MRXNPFEDSA-N 0 3 456.547 1.317 20 0 JDADHN CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1=O ZINC001502305928 1070057110 /nfs/dbraw/zinc/05/71/10/1070057110.db2.gz ILMLQLOBGDKIQC-RBUKOAKNSA-N 0 3 466.652 1.359 20 0 JDADHN CCN1CCCN(c2nnc(Cc3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1=O ZINC001502306984 1070059594 /nfs/dbraw/zinc/05/95/94/1070059594.db2.gz QJOYIPGYRXJSNL-OAQYLSRUSA-N 0 3 482.633 1.265 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2C)CC1 ZINC001502309654 1070068393 /nfs/dbraw/zinc/06/83/93/1070068393.db2.gz KGMQRNMSDQIRRO-PMACEKPBSA-N 0 3 477.679 1.859 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001502310131 1070071272 /nfs/dbraw/zinc/07/12/72/1070071272.db2.gz SQIPHRBMBLANKY-VAMGGRTRSA-N 0 3 469.700 1.787 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC001502310216 1070071370 /nfs/dbraw/zinc/07/13/70/1070071370.db2.gz VDRHWTXHXZJPSF-LHCSWSIBSA-N 0 3 494.681 1.801 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)CC1 ZINC001502310004 1070070556 /nfs/dbraw/zinc/07/05/56/1070070556.db2.gz QUGKYQFXKZDUBU-QZTJIDSGSA-N 0 3 491.662 1.183 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2C)CC1 ZINC001502309657 1070068315 /nfs/dbraw/zinc/06/83/15/1070068315.db2.gz KGMQRNMSDQIRRO-WOJBJXKFSA-N 0 3 477.679 1.859 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC001502310305 1070072289 /nfs/dbraw/zinc/07/22/89/1070072289.db2.gz WWOWVGDYEZVPRX-HBMCJLEFSA-N 0 3 463.671 1.795 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001502310431 1070073308 /nfs/dbraw/zinc/07/33/08/1070073308.db2.gz ZGZZYCHTRDIDKM-UXHICEINSA-N 0 3 460.671 1.217 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cscn2)CC1 ZINC001502310326 1070073353 /nfs/dbraw/zinc/07/33/53/1070073353.db2.gz XJFNXCCQLDZQLO-JKSUJKDBSA-N 0 3 470.669 1.007 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001502310433 1070073525 /nfs/dbraw/zinc/07/35/25/1070073525.db2.gz ZGZZYCHTRDIDKM-WOJBJXKFSA-N 0 3 460.671 1.217 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001502310430 1070073764 /nfs/dbraw/zinc/07/37/64/1070073764.db2.gz ZGZZYCHTRDIDKM-PMACEKPBSA-N 0 3 460.671 1.217 20 0 JDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)CC1 ZINC001478981580 1070075818 /nfs/dbraw/zinc/07/58/18/1070075818.db2.gz MUSSQICYMIJLND-UHFFFAOYSA-N 0 3 455.600 1.256 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502310578 1070074107 /nfs/dbraw/zinc/07/41/07/1070074107.db2.gz BWWPURUDIKDTDB-LJQANCHMSA-N 0 3 455.607 1.648 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502310659 1070074398 /nfs/dbraw/zinc/07/43/98/1070074398.db2.gz DGKSTFBGONTNNA-GOSISDBHSA-N 0 3 496.081 1.706 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502310672 1070074580 /nfs/dbraw/zinc/07/45/80/1070074580.db2.gz DPULZGFMUDHECK-LJQANCHMSA-N 0 3 491.662 1.061 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502310577 1070074981 /nfs/dbraw/zinc/07/49/81/1070074981.db2.gz BWWPURUDIKDTDB-IBGZPJMESA-N 0 3 455.607 1.648 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502311399 1070079776 /nfs/dbraw/zinc/07/97/76/1070079776.db2.gz RTZIHYOQUJOILU-OFAXGOBFSA-N 0 3 488.633 1.838 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502310883 1070076139 /nfs/dbraw/zinc/07/61/39/1070076139.db2.gz IRXQIRATZPBTCB-DLBZAZTESA-N 0 3 463.030 1.838 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502310749 1070076195 /nfs/dbraw/zinc/07/61/95/1070076195.db2.gz FSSRGAAZSSXXGX-RBUKOAKNSA-N 0 3 485.633 1.690 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502311332 1070079829 /nfs/dbraw/zinc/07/98/29/1070079829.db2.gz QPRLPQLRGUVOBV-IAGOWNOFSA-N 0 3 461.014 1.686 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502310903 1070076373 /nfs/dbraw/zinc/07/63/73/1070076373.db2.gz IWSLCHOVJQGRHF-GOSISDBHSA-N 0 3 485.633 1.690 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502311075 1070077221 /nfs/dbraw/zinc/07/72/21/1070077221.db2.gz MFJXWXZNQQSJSB-CZTZKLFOSA-N 0 3 486.617 1.340 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310944 1070077282 /nfs/dbraw/zinc/07/72/82/1070077282.db2.gz JPSZKPJWXAMJDD-QUCCMNQESA-N 0 3 455.607 1.681 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001502312555 1070084231 /nfs/dbraw/zinc/08/42/31/1070084231.db2.gz OIIQOZVWENIUGJ-IRXDYDNUSA-N 0 3 495.554 1.266 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(C(=O)Cc3ccccc3F)CC2)CC1 ZINC001502311718 1070080615 /nfs/dbraw/zinc/08/06/15/1070080615.db2.gz YAILUDNPJXTSKA-LJQANCHMSA-N 0 3 457.598 1.643 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC001502311706 1070080906 /nfs/dbraw/zinc/08/09/06/1070080906.db2.gz XWWDJILUQDEOSW-BHIFYINESA-N 0 3 474.698 1.239 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001502311839 1070081072 /nfs/dbraw/zinc/08/10/72/1070081072.db2.gz AABIUFPUCBNADE-CEXWTWQISA-N 0 3 490.653 1.359 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502312236 1070081969 /nfs/dbraw/zinc/08/19/69/1070081969.db2.gz IUVAXTDYGQMVIN-SFHVURJKSA-N 0 3 478.667 1.207 20 0 JDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001479077455 1070084709 /nfs/dbraw/zinc/08/47/09/1070084709.db2.gz XUGOSTXASOZXJE-MSOLQXFVSA-N 0 3 451.612 1.970 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502312931 1070085640 /nfs/dbraw/zinc/08/56/40/1070085640.db2.gz VGRUCRNYLYRSGE-QKNQBKEWSA-N 0 3 486.617 1.340 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001502312938 1070085786 /nfs/dbraw/zinc/08/57/86/1070085786.db2.gz VJFFGTUPOXPEJR-HOTGVXAUSA-N 0 3 464.018 1.279 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502313555 1070089109 /nfs/dbraw/zinc/08/91/09/1070089109.db2.gz GMGVDWBMQVAOCG-IBGZPJMESA-N 0 3 473.597 1.922 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC001502313067 1070086888 /nfs/dbraw/zinc/08/68/88/1070086888.db2.gz XLZGLUJMDXZCHV-VSKRKVRLSA-N 0 3 498.676 1.734 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001502313717 1070090216 /nfs/dbraw/zinc/09/02/16/1070090216.db2.gz JNSZDMYRJDIZNF-RTWAWAEBSA-N 0 3 475.682 1.720 20 0 JDADHN 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CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502314861 1070096018 /nfs/dbraw/zinc/09/60/18/1070096018.db2.gz CGXWLYFKOMCEIK-NRFANRHFSA-N 0 3 471.654 1.224 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502314872 1070096074 /nfs/dbraw/zinc/09/60/74/1070096074.db2.gz CMIDHIRYARMQEJ-LJQANCHMSA-N 0 3 488.706 1.964 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001502314973 1070096576 /nfs/dbraw/zinc/09/65/76/1070096576.db2.gz DYBDXTJWIQULBO-IBGZPJMESA-N 0 3 480.583 1.974 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502315057 1070097017 /nfs/dbraw/zinc/09/70/17/1070097017.db2.gz GNCGHJXXCQZNQD-GOSISDBHSA-N 0 3 476.025 1.815 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502315351 1070100586 /nfs/dbraw/zinc/10/05/86/1070100586.db2.gz MBNAEUSJVJIJQP-QUCCMNQESA-N 0 3 467.684 1.022 20 0 JDADHN 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CCN1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502337417 1070204211 /nfs/dbraw/zinc/20/42/11/1070204211.db2.gz HSORLRPBXLMVNP-SLFFLAALSA-N 0 3 470.622 1.813 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001502337482 1070205305 /nfs/dbraw/zinc/20/53/05/1070205305.db2.gz IXJHQHMECZDYFF-CNNODRBYSA-N 0 3 485.699 1.167 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502337616 1070206993 /nfs/dbraw/zinc/20/69/93/1070206993.db2.gz LIEQLAVNEMGHMA-AQNXPRMDSA-N 0 3 486.621 1.049 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001502337630 1070207433 /nfs/dbraw/zinc/20/74/33/1070207433.db2.gz LNMJZJLYYQASJR-BZSNNMDCSA-N 0 3 473.713 1.104 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C)C2)CC1 ZINC001502337631 1070207959 /nfs/dbraw/zinc/20/79/59/1070207959.db2.gz LNMJZJLYYQASJR-KSZLIROESA-N 0 3 473.713 1.104 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CC3)C2)CC1 ZINC001502337834 1070210997 /nfs/dbraw/zinc/21/09/97/1070210997.db2.gz OXNFSQYRIBLTDX-OALUTQOASA-N 0 3 467.684 1.542 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001502338178 1070211814 /nfs/dbraw/zinc/21/18/14/1070211814.db2.gz SEMXNEOCIOXVCE-LJQANCHMSA-N 0 3 490.674 1.805 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502337938 1070211990 /nfs/dbraw/zinc/21/19/90/1070211990.db2.gz PRBKHJKSXNBWMU-LJQANCHMSA-N 0 3 471.654 1.466 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)CC1 ZINC001502338615 1070215199 /nfs/dbraw/zinc/21/51/99/1070215199.db2.gz XTKNZBGYOAUCHX-ZCNNSNEGSA-N 0 3 493.678 1.749 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)CC1 ZINC001502338611 1070215623 /nfs/dbraw/zinc/21/56/23/1070215623.db2.gz XTKNZBGYOAUCHX-UFYCRDLUSA-N 0 3 493.678 1.749 20 0 JDADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001493168085 1070226957 /nfs/dbraw/zinc/22/69/57/1070226957.db2.gz ALAFABBBGGSVNW-MRXNPFEDSA-N 0 3 461.014 1.686 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001502342944 1070232880 /nfs/dbraw/zinc/23/28/80/1070232880.db2.gz HCCJDLPPGRNVDZ-NHCUHLMSSA-N 0 3 495.738 1.374 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCOC)CC1 ZINC001502342590 1070230733 /nfs/dbraw/zinc/23/07/33/1070230733.db2.gz AFGXSUCHCFGWMC-SFHVURJKSA-N 0 3 468.606 1.950 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001502342943 1070232627 /nfs/dbraw/zinc/23/26/27/1070232627.db2.gz HCCJDLPPGRNVDZ-LEWJYISDSA-N 0 3 495.738 1.374 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502343403 1070237966 /nfs/dbraw/zinc/23/79/66/1070237966.db2.gz OLMMKWPHMOZUQT-PZJWPPBQSA-N 0 3 463.671 1.482 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502343428 1070238193 /nfs/dbraw/zinc/23/81/93/1070238193.db2.gz OSTYJJSFMYJYQJ-KNQAVFIVSA-N 0 3 453.635 1.763 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502343424 1070238833 /nfs/dbraw/zinc/23/88/33/1070238833.db2.gz OQXCWQIKRMYOGL-UNMCSNQZSA-N 0 3 461.655 1.852 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502343840 1070246098 /nfs/dbraw/zinc/24/60/98/1070246098.db2.gz VOJNOCHDYBGBST-RXFWQSSRSA-N 0 3 483.661 1.853 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502343814 1070244242 /nfs/dbraw/zinc/24/42/42/1070244242.db2.gz VAICCXHVGDNRAH-FGZHOGPDSA-N 0 3 463.671 1.214 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502345565 1070250653 /nfs/dbraw/zinc/25/06/53/1070250653.db2.gz CIQYMQHHOTVIPS-UXHICEINSA-N 0 3 487.624 1.937 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502345959 1070253023 /nfs/dbraw/zinc/25/30/23/1070253023.db2.gz HVQCKJGMWLZINB-SQOUVECCSA-N 0 3 491.681 1.333 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001502346011 1070254404 /nfs/dbraw/zinc/25/44/04/1070254404.db2.gz IETXPWVIXPECTD-IBGZPJMESA-N 0 3 457.627 1.044 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001502346194 1070255230 /nfs/dbraw/zinc/25/52/30/1070255230.db2.gz JQQKMWJAORJCCV-HYBUGGRVSA-N 0 3 461.655 1.679 20 0 JDADHN C[C@H]1C[C@H](C)CN(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCS(=O)CC2)C1 ZINC001493204063 1070257496 /nfs/dbraw/zinc/25/74/96/1070257496.db2.gz OEZYOWNMJUYORH-ROUUACIJSA-N 0 3 450.653 1.839 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCS(=O)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502346837 1070257783 /nfs/dbraw/zinc/25/77/83/1070257783.db2.gz PCDUXRDNEAABKS-OFNKIYASSA-N 0 3 482.695 1.161 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(N3CCS(=O)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502346838 1070258915 /nfs/dbraw/zinc/25/89/15/1070258915.db2.gz PCDUXRDNEAABKS-REWPJTCUSA-N 0 3 482.695 1.161 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCN(CC(=O)N(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001502346894 1070259588 /nfs/dbraw/zinc/25/95/88/1070259588.db2.gz PRYYTNDNCCVJSX-HXUWFJFHSA-N 0 3 462.687 1.059 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502346963 1070259952 /nfs/dbraw/zinc/25/99/52/1070259952.db2.gz QYIFQWOGVKPNFX-LJQANCHMSA-N 0 3 454.623 1.239 20 0 JDADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001493212080 1070260050 /nfs/dbraw/zinc/26/00/50/1070260050.db2.gz FIJJCZOJLKJIOT-SCTDSRPQSA-N 0 3 480.679 1.638 20 0 JDADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001493212082 1070261562 /nfs/dbraw/zinc/26/15/62/1070261562.db2.gz FIJJCZOJLKJIOT-ZIFCJYIRSA-N 0 3 480.679 1.638 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001502347196 1070263272 /nfs/dbraw/zinc/26/32/72/1070263272.db2.gz WDCQYSMRTBSNSZ-LEWJYISDSA-N 0 3 475.682 1.925 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001502347197 1070262537 /nfs/dbraw/zinc/26/25/37/1070262537.db2.gz WDCQYSMRTBSNSZ-NHCUHLMSSA-N 0 3 475.682 1.925 20 0 JDADHN CCN1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC=C(C)C2)CC1 ZINC001502350703 1070269253 /nfs/dbraw/zinc/26/92/53/1070269253.db2.gz ADABZTGCFDQKKJ-FQEVSTJZSA-N 0 3 450.653 1.754 20 0 JDADHN CCN1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC=C(C)C2)CC1 ZINC001502350704 1070269382 /nfs/dbraw/zinc/26/93/82/1070269382.db2.gz ADABZTGCFDQKKJ-HXUWFJFHSA-N 0 3 450.653 1.754 20 0 JDADHN CCN1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001502351393 1070271243 /nfs/dbraw/zinc/27/12/43/1070271243.db2.gz UYUGCCGQAYONCF-HSALFYBXSA-N 0 3 484.736 1.928 20 0 JDADHN CCN1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001502351518 1070273293 /nfs/dbraw/zinc/27/32/93/1070273293.db2.gz ZBVHNIUHMJQYHI-LJQANCHMSA-N 0 3 468.668 1.213 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001502352560 1070273349 /nfs/dbraw/zinc/27/33/49/1070273349.db2.gz GSIAGFAMNYSTBQ-HXUWFJFHSA-N 0 3 470.622 1.958 20 0 JDADHN CCN1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)CC1 ZINC001502351366 1070272423 /nfs/dbraw/zinc/27/24/23/1070272423.db2.gz UHHDSIIJIPRVHJ-FQEVSTJZSA-N 0 3 452.669 1.978 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](O)CC3(CCCC3)C2)CC1 ZINC001502352469 1070273783 /nfs/dbraw/zinc/27/37/83/1070273783.db2.gz CZTVJHKEBJUKPQ-FQEVSTJZSA-N 0 3 461.655 1.575 20 0 JDADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 ZINC001493267805 1070273857 /nfs/dbraw/zinc/27/38/57/1070273857.db2.gz XPKRHDNWQOHDOE-GUDVDZBRSA-N 0 3 468.668 1.751 20 0 JDADHN C[C@@H]1C[C@H](C)CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001493268813 1070274128 /nfs/dbraw/zinc/27/41/28/1070274128.db2.gz ZQJMJEFWHGAUJM-HDICACEKSA-N 0 3 475.619 1.528 20 0 JDADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2)C1 ZINC001493274570 1070274663 /nfs/dbraw/zinc/27/46/63/1070274663.db2.gz DAAITFBTFBFVSI-NSHGMRRFSA-N 0 3 463.652 1.918 20 0 JDADHN C[C@@H]1C[C@@H](C)CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2)C1 ZINC001493274567 1070275033 /nfs/dbraw/zinc/27/50/33/1070275033.db2.gz DAAITFBTFBFVSI-GGPKGHCWSA-N 0 3 463.652 1.918 20 0 JDADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001502354439 1070282398 /nfs/dbraw/zinc/28/23/98/1070282398.db2.gz IZZDYKBRBQQPJE-OKZBNKHCSA-N 0 3 453.657 1.008 20 0 JDADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001502354815 1070284743 /nfs/dbraw/zinc/28/47/43/1070284743.db2.gz OBZMDXNIFVYIMW-WOJBJXKFSA-N 0 3 499.726 1.700 20 0 JDADHN CCN1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502355057 1070285705 /nfs/dbraw/zinc/28/57/05/1070285705.db2.gz RVDXTOQPWGFAJZ-UHFFFAOYSA-N 0 3 462.620 1.216 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001502356165 1070289776 /nfs/dbraw/zinc/28/97/76/1070289776.db2.gz LATXXSUVFWIHQU-LJQANCHMSA-N 0 3 490.653 1.314 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001502356261 1070290177 /nfs/dbraw/zinc/29/01/77/1070290177.db2.gz LFQGNGADVRXINN-GOSISDBHSA-N 0 3 486.587 1.331 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001502356693 1070291602 /nfs/dbraw/zinc/29/16/02/1070291602.db2.gz RLFLJVVJGYDQFE-KSZLIROESA-N 0 3 453.582 1.984 20 0 JDADHN CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001502357940 1070293583 /nfs/dbraw/zinc/29/35/83/1070293583.db2.gz GRGKIGGIDAUILA-IFMALSPDSA-N 0 3 457.623 1.532 20 0 JDADHN CCN1CCN(CCCn2c(Cc3ccccn3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502358401 1070294369 /nfs/dbraw/zinc/29/43/69/1070294369.db2.gz LKFJWIBMQFAVRY-UHFFFAOYSA-N 0 3 454.623 1.383 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001502358415 1070294472 /nfs/dbraw/zinc/29/44/72/1070294472.db2.gz LQKMHHLKPCCOSU-OAQYLSRUSA-N 0 3 490.674 1.853 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001502358389 1070294689 /nfs/dbraw/zinc/29/46/89/1070294689.db2.gz LDZXFJRLSZGHAH-UXHICEINSA-N 0 3 468.668 1.069 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001502358652 1070295338 /nfs/dbraw/zinc/29/53/38/1070295338.db2.gz OSPPLABWADVRFE-FQEVSTJZSA-N 0 3 461.655 1.504 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001502358653 1070295982 /nfs/dbraw/zinc/29/59/82/1070295982.db2.gz OSPPLABWADVRFE-HXUWFJFHSA-N 0 3 461.655 1.504 20 0 JDADHN CCN1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502358639 1070296304 /nfs/dbraw/zinc/29/63/04/1070296304.db2.gz ONJYKXXIYNPCBP-LJQANCHMSA-N 0 3 457.598 1.703 20 0 JDADHN CCN(c1nnc(Cc2ccncc2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001502358524 1070296531 /nfs/dbraw/zinc/29/65/31/1070296531.db2.gz MYMKBNHMNYYJGO-OAQYLSRUSA-N 0 3 475.663 1.305 20 0 JDADHN C[C@@H]1CC[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001493431514 1070300185 /nfs/dbraw/zinc/30/01/85/1070300185.db2.gz SDSJHQDQOCZNAZ-AABGKKOBSA-N 0 3 459.639 1.968 20 0 JDADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC001502359260 1070300405 /nfs/dbraw/zinc/30/04/05/1070300405.db2.gz ZQRCVGXLGGAXDL-UHFFFAOYSA-N 0 3 497.692 1.715 20 0 JDADHN C[C@@H]1CC[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001493431516 1070300824 /nfs/dbraw/zinc/30/08/24/1070300824.db2.gz SDSJHQDQOCZNAZ-HSALFYBXSA-N 0 3 459.639 1.968 20 0 JDADHN CCN1CCN(CCCn2c(N3CCN(C(=O)c4ccccn4)CC3)nnc2C(C)(C)C)CC1 ZINC001502359835 1070300703 /nfs/dbraw/zinc/30/07/03/1070300703.db2.gz FRJBSBCNHLXBAU-UHFFFAOYSA-N 0 3 468.650 1.961 20 0 JDADHN CCN1CCN(CCCn2c(N3CC(=O)N(C)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502360371 1070302551 /nfs/dbraw/zinc/30/25/51/1070302551.db2.gz LORRPRWEBDADEX-GBXCKJPGSA-N 0 3 477.654 1.013 20 0 JDADHN CCN1CCN(CCCn2c(N3CC[C@](C)(C(=O)NC)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502359962 1070301089 /nfs/dbraw/zinc/30/10/89/1070301089.db2.gz HEUDIHHNYVZNFM-DQEYMECFSA-N 0 3 491.681 1.309 20 0 JDADHN CCN1CCN(CCCn2c(COc3cccc(C)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502360173 1070301708 /nfs/dbraw/zinc/30/17/08/1070301708.db2.gz JGUYLTDHYINSOZ-NRFANRHFSA-N 0 3 469.634 1.860 20 0 JDADHN CCN1CCN(CCCn2c(N3CCCN(CC)C(=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502359938 1070301770 /nfs/dbraw/zinc/30/17/70/1070301770.db2.gz GWJCIIKDJOCUMN-VWLOTQADSA-N 0 3 491.681 1.405 20 0 JDADHN CCN1CCN(CCCn2c(N3CCC[C@H](C(=O)OC)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502360221 1070301915 /nfs/dbraw/zinc/30/19/15/1070301915.db2.gz JZVYXXLATZIIBT-OFVILXPXSA-N 0 3 492.665 1.736 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502360883 1070303655 /nfs/dbraw/zinc/30/36/55/1070303655.db2.gz TUGZKZPYTHTXOU-NHCUHLMSSA-N 0 3 490.697 1.686 20 0 JDADHN CCN1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502360993 1070304299 /nfs/dbraw/zinc/30/42/99/1070304299.db2.gz XFRTUIPZFUNZPB-XMMPIXPASA-N 0 3 471.654 1.130 20 0 JDADHN CC1CCC(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)CC1 ZINC001493479654 1070305460 /nfs/dbraw/zinc/30/54/60/1070305460.db2.gz HGOLTZOHWXLVFQ-GPANFISMSA-N 0 3 453.538 1.311 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001493479469 1070305808 /nfs/dbraw/zinc/30/58/08/1070305808.db2.gz FULPYJJYGRMDNP-UHFFFAOYSA-N 0 3 483.683 1.445 20 0 JDADHN C[C@@H]1CCC[C@](Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001493511020 1070310657 /nfs/dbraw/zinc/31/06/57/1070310657.db2.gz SDUNFWFRYJWPDR-LHUKNYEISA-N 0 3 452.625 1.363 20 0 JDADHN CCn1nc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CCN(C)CCOC)c2ccccc2c1=O ZINC001502366627 1070313160 /nfs/dbraw/zinc/31/31/60/1070313160.db2.gz ORDZHZKNBZYYSY-GOSISDBHSA-N 0 3 496.616 1.310 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CCN1CCCC1 ZINC001493558851 1070315674 /nfs/dbraw/zinc/31/56/74/1070315674.db2.gz RQFBLLJSKRXZGW-RTWAWAEBSA-N 0 3 488.681 1.329 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1CCN1CCCC1 ZINC001493558852 1070316246 /nfs/dbraw/zinc/31/62/46/1070316246.db2.gz RQFBLLJSKRXZGW-SFTDATJTSA-N 0 3 488.681 1.329 20 0 JDADHN C[C@H]([C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCC[C@H]1C)S(C)(=O)=O ZINC001493668386 1070328972 /nfs/dbraw/zinc/32/89/72/1070328972.db2.gz ZFAZAFHLLFNDHU-CEXWTWQISA-N 0 3 468.668 1.923 20 0 JDADHN CCNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001502384667 1070329106 /nfs/dbraw/zinc/32/91/06/1070329106.db2.gz WFVCQJBUHKSRJX-GOSISDBHSA-N 0 3 461.655 1.772 20 0 JDADHN CCNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001502389503 1070332782 /nfs/dbraw/zinc/33/27/82/1070332782.db2.gz GNFVSRVJIYQRQP-OAQYLSRUSA-N 0 3 485.681 1.518 20 0 JDADHN C[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC1 ZINC001493763531 1070343202 /nfs/dbraw/zinc/34/32/02/1070343202.db2.gz PPJHKSYJZMNEJO-OALUTQOASA-N 0 3 454.641 1.723 20 0 JDADHN C[C@@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001493799101 1070349473 /nfs/dbraw/zinc/34/94/73/1070349473.db2.gz XCJGLLWTQVTMMM-MSOLQXFVSA-N 0 3 490.634 1.127 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001493798900 1070350253 /nfs/dbraw/zinc/35/02/53/1070350253.db2.gz VFETWGTWQROZAW-IBGZPJMESA-N 0 3 483.617 1.816 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493798900 1070350271 /nfs/dbraw/zinc/35/02/71/1070350271.db2.gz VFETWGTWQROZAW-IBGZPJMESA-N 0 3 483.617 1.816 20 0 JDADHN C[C@H]1CCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 ZINC001493844513 1070358690 /nfs/dbraw/zinc/35/86/90/1070358690.db2.gz UKVDWANFXBYFSB-INIZCTEOSA-N 0 3 459.982 1.672 20 0 JDADHN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCC(C)CC1 ZINC001493861218 1070363657 /nfs/dbraw/zinc/36/36/57/1070363657.db2.gz DIZGONVDKQAQCP-SFHVURJKSA-N 0 3 490.634 1.127 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001502421092 1070362081 /nfs/dbraw/zinc/36/20/81/1070362081.db2.gz MNLWFPITGRDBQM-OAQYLSRUSA-N 0 3 484.649 1.286 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001493864897 1070365775 /nfs/dbraw/zinc/36/57/75/1070365775.db2.gz SMNAGURZSXLSML-HXUWFJFHSA-N 0 3 496.660 1.962 20 0 JDADHN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C)N1CCC(C)CC1 ZINC001493866067 1070365831 /nfs/dbraw/zinc/36/58/31/1070365831.db2.gz WQVIZALBDVPUMN-ROUUACIJSA-N 0 3 454.579 1.713 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001493865900 1070365877 /nfs/dbraw/zinc/36/58/77/1070365877.db2.gz VNGAJDARKRYIQX-GOSISDBHSA-N 0 3 483.683 1.397 20 0 JDADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001494049457 1070381246 /nfs/dbraw/zinc/38/12/46/1070381246.db2.gz DDLHTFMHEZPIPX-HXUWFJFHSA-N 0 3 480.679 1.784 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001502429591 1070382076 /nfs/dbraw/zinc/38/20/76/1070382076.db2.gz BNTDMMXVRWHNAC-IRLDBZIGSA-N 0 3 487.624 1.872 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001502429844 1070383167 /nfs/dbraw/zinc/38/31/67/1070383167.db2.gz IZPLYHIWSJZFAP-IFMALSPDSA-N 0 3 485.633 1.352 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCN1CCC(C)CC1 ZINC001494069484 1070384049 /nfs/dbraw/zinc/38/40/49/1070384049.db2.gz ZSYJPYXSBIWPCW-INIZCTEOSA-N 0 3 473.544 1.653 20 0 JDADHN CC1CCN(C[C@@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(C)(=O)=O)C2)CC1 ZINC001494046334 1070380693 /nfs/dbraw/zinc/38/06/93/1070380693.db2.gz PZYQHFRTMYPVFK-ROUUACIJSA-N 0 3 452.625 1.222 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc(CC)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 ZINC001502432364 1070387202 /nfs/dbraw/zinc/38/72/02/1070387202.db2.gz GFEJKLPIJBUEQP-NRFANRHFSA-N 0 3 468.650 1.309 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc(CC)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 ZINC001502432365 1070387462 /nfs/dbraw/zinc/38/74/62/1070387462.db2.gz GFEJKLPIJBUEQP-OAQYLSRUSA-N 0 3 468.650 1.309 20 0 JDADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001494097424 1070392253 /nfs/dbraw/zinc/39/22/53/1070392253.db2.gz UHZHTLRXCASMNE-QRVBRYPASA-N 0 3 497.710 1.308 20 0 JDADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001494097421 1070392547 /nfs/dbraw/zinc/39/25/47/1070392547.db2.gz UHZHTLRXCASMNE-CEXWTWQISA-N 0 3 497.710 1.308 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001502434973 1070394583 /nfs/dbraw/zinc/39/45/83/1070394583.db2.gz SCPISKCACANLLP-FQEVSTJZSA-N 0 3 482.658 1.886 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001502436360 1070401354 /nfs/dbraw/zinc/40/13/54/1070401354.db2.gz SZSROZGRWGPIPX-LJQANCHMSA-N 0 3 460.627 1.486 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCC[C@@H](C)C2)CC1 ZINC001502438212 1070406424 /nfs/dbraw/zinc/40/64/24/1070406424.db2.gz LKWPPYKOABCPNM-GOSISDBHSA-N 0 3 462.643 1.780 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCC[C@H](C)C2)CC1 ZINC001502438213 1070406957 /nfs/dbraw/zinc/40/69/57/1070406957.db2.gz LKWPPYKOABCPNM-SFHVURJKSA-N 0 3 462.643 1.780 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001502444143 1070429536 /nfs/dbraw/zinc/42/95/36/1070429536.db2.gz JYCVLVVVPXEHBS-SFHVURJKSA-N 0 3 458.611 1.724 20 0 JDADHN CCNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(CC)CC)N(C)C)CC1 ZINC001502451307 1070445450 /nfs/dbraw/zinc/44/54/50/1070445450.db2.gz BJSZGPJUWXCVJF-RBUKOAKNSA-N 0 3 483.683 1.398 20 0 JDADHN C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001494150381 1070446167 /nfs/dbraw/zinc/44/61/67/1070446167.db2.gz KADNPMUYDMIDLE-RBUKOAKNSA-N 0 3 484.605 1.483 20 0 JDADHN CCNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 ZINC001502452058 1070449127 /nfs/dbraw/zinc/44/91/27/1070449127.db2.gz OAGYYKDQAXRPTE-MSOLQXFVSA-N 0 3 472.594 1.757 20 0 JDADHN CCNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccco2)N(CC)CC)CC1 ZINC001502452059 1070449704 /nfs/dbraw/zinc/44/97/04/1070449704.db2.gz OAGYYKDQAXRPTE-QZTJIDSGSA-N 0 3 472.594 1.757 20 0 JDADHN CCNC(=O)N1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)CCOC)CC1 ZINC001502454510 1070458572 /nfs/dbraw/zinc/45/85/72/1070458572.db2.gz LDAAJZWPJCPZGI-FQEVSTJZSA-N 0 3 473.578 1.220 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(CC(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001502454464 1070459071 /nfs/dbraw/zinc/45/90/71/1070459071.db2.gz JRBGNCAFJUOJNN-IBGZPJMESA-N 0 3 462.643 1.271 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCN(CC)CC2)CC1 ZINC001502456481 1070464220 /nfs/dbraw/zinc/46/42/20/1070464220.db2.gz BVAWWCDMNYXEKO-UHFFFAOYSA-N 0 3 469.638 1.143 20 0 JDADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@@H](C)C2)n1CCN(C)Cc1ccccc1 ZINC001494196548 1070483811 /nfs/dbraw/zinc/48/38/11/1070483811.db2.gz AAQUSRAFQJBZPI-DLBZAZTESA-N 0 3 452.650 1.962 20 0 JDADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC(C)CC2)C1 ZINC001502463569 1070492239 /nfs/dbraw/zinc/49/22/39/1070492239.db2.gz OYUVAHBOBKDQKW-RBUKOAKNSA-N 0 3 481.667 1.153 20 0 JDADHN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC(C)CC2)C1 ZINC001502463568 1070492831 /nfs/dbraw/zinc/49/28/31/1070492831.db2.gz OYUVAHBOBKDQKW-OALUTQOASA-N 0 3 481.667 1.153 20 0 JDADHN 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CCOC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCN(CC)CC2)CC1 ZINC001502484231 1070594342 /nfs/dbraw/zinc/59/43/42/1070594342.db2.gz JSUXSUJUVVLBKV-UHFFFAOYSA-N 0 3 492.669 1.501 20 0 JDADHN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](C)S1 ZINC001494467461 1070595830 /nfs/dbraw/zinc/59/58/30/1070595830.db2.gz YFHNBINNRPFORJ-OTWHNJEPSA-N 0 3 477.679 1.673 20 0 JDADHN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)S1 ZINC001494467458 1070595986 /nfs/dbraw/zinc/59/59/86/1070595986.db2.gz YFHNBINNRPFORJ-CEXWTWQISA-N 0 3 477.679 1.673 20 0 JDADHN CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001502487622 1070598020 /nfs/dbraw/zinc/59/80/20/1070598020.db2.gz TWBXXTZOVBTNAN-AZUAARDMSA-N 0 3 490.653 1.312 20 0 JDADHN C[C@@H]1CN(CCCn2c(-c3ccccc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001494524215 1070617572 /nfs/dbraw/zinc/61/75/72/1070617572.db2.gz PQXCGRYLAQHTQD-OYRHEFFESA-N 0 3 469.634 1.655 20 0 JDADHN 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CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1)N(C)C ZINC001496663223 1070856342 /nfs/dbraw/zinc/85/63/42/1070856342.db2.gz WMJLTANUWPTBDM-HJNYFJLDSA-N 0 3 496.722 1.705 20 0 JDADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1)N(C)C ZINC001496663831 1070856431 /nfs/dbraw/zinc/85/64/31/1070856431.db2.gz YIVVUENYFFFALD-JBACZVJFSA-N 0 3 493.678 1.858 20 0 JDADHN CCOc1ccc(-c2nnc(N3CCN(C(=O)COC)CC3)n2CCN2CC=CCC2)cc1OC ZINC001502812564 1070861060 /nfs/dbraw/zinc/86/10/60/1070861060.db2.gz CZGUOCMVQZBDFL-UHFFFAOYSA-N 0 3 484.601 1.909 20 0 JDADHN COc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCC(=O)N(C)C)cc1 ZINC001504197585 1070874873 /nfs/dbraw/zinc/87/48/73/1070874873.db2.gz OOPONZOKORVTBT-HXUWFJFHSA-N 0 3 469.590 1.175 20 0 JDADHN CCOc1ccccc1C(=O)N1CCN(c2nnc(C)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001502891884 1070875663 /nfs/dbraw/zinc/87/56/63/1070875663.db2.gz IDQPTFRFLBGOEI-FQEVSTJZSA-N 0 3 469.634 1.974 20 0 JDADHN COc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CC(C)(C)O)cc1OC ZINC001504198176 1070875841 /nfs/dbraw/zinc/87/58/41/1070875841.db2.gz PQMZTQCICPAHRQ-UHFFFAOYSA-N 0 3 472.590 1.478 20 0 JDADHN CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001502901126 1070877425 /nfs/dbraw/zinc/87/74/25/1070877425.db2.gz ABFDUFCAQSAOPG-HXUWFJFHSA-N 0 3 483.617 1.667 20 0 JDADHN CCOc1ccnc(N2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCN3CC)CC2)n1 ZINC001502924766 1070886057 /nfs/dbraw/zinc/88/60/57/1070886057.db2.gz DUMXPBQRDOURTM-LJQANCHMSA-N 0 3 485.637 1.806 20 0 JDADHN COc1ccc(CCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001504231887 1070897933 /nfs/dbraw/zinc/89/79/33/1070897933.db2.gz SCKYSSNNZAMZQB-FQEVSTJZSA-N 0 3 483.661 1.765 20 0 JDADHN CCOC1CC(O)(Cn2c(N3C[C@H](C)N(CC)C[C@H]3C)nnc2[C@]2(OCC)CCOC2)C1 ZINC001502965573 1070920983 /nfs/dbraw/zinc/92/09/83/1070920983.db2.gz XRAUVMZDZLIBHR-OLEDIUQTSA-N 0 3 451.612 1.779 20 0 JDADHN COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)cc1O ZINC001504256245 1070935050 /nfs/dbraw/zinc/93/50/50/1070935050.db2.gz UWBCGMYQUDRDMF-SFHVURJKSA-N 0 3 471.606 1.606 20 0 JDADHN CCOCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCOC1CCOCC1 ZINC001503030662 1070980668 /nfs/dbraw/zinc/98/06/68/1070980668.db2.gz DFXGXIDVQXIPMJ-NZQKXSOJSA-N 0 3 492.665 1.779 20 0 JDADHN CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCOC1CCOCC1 ZINC001503030670 1070982890 /nfs/dbraw/zinc/98/28/90/1070982890.db2.gz DFXGXIDVQXIPMJ-REWPJTCUSA-N 0 3 492.665 1.779 20 0 JDADHN CCOCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@](C)(O)c1ccco1 ZINC001503032563 1070984878 /nfs/dbraw/zinc/98/48/78/1070984878.db2.gz IXXAIRUWVJGZEZ-NRYAXDJKSA-N 0 3 474.606 1.694 20 0 JDADHN CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC(=O)NC(C)C ZINC001503033977 1070988684 /nfs/dbraw/zinc/98/86/84/1070988684.db2.gz ODGJNCLPVVCOME-ICSRJNTNSA-N 0 3 463.627 1.108 20 0 JDADHN CCOCc1nnc(N2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1CCN(C)Cc1ccccc1 ZINC001503034595 1070995088 /nfs/dbraw/zinc/99/50/88/1070995088.db2.gz SGPNAEFKBPRFJH-ZJSXRUAMSA-N 0 3 483.661 1.935 20 0 JDADHN CCOCc1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503035479 1070997670 /nfs/dbraw/zinc/99/76/70/1070997670.db2.gz AGJRLCKFHIVXHA-LJQANCHMSA-N 0 3 450.628 1.615 20 0 JDADHN CCOCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503038139 1071001052 /nfs/dbraw/zinc/00/10/52/1071001052.db2.gz ILURMLCGLFPAOQ-IHFIDZABSA-N 0 3 450.628 1.613 20 0 JDADHN CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503039679 1071002076 /nfs/dbraw/zinc/00/20/76/1071002076.db2.gz UYIRVGQTFYEKAP-ICSRJNTNSA-N 0 3 488.633 1.911 20 0 JDADHN CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503062329 1071017436 /nfs/dbraw/zinc/01/74/36/1071017436.db2.gz QXYJHGCNUXGAFN-MOPGFXCFSA-N 0 3 465.643 1.944 20 0 JDADHN CCOCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503062335 1071017939 /nfs/dbraw/zinc/01/79/39/1071017939.db2.gz QXYJHGCNUXGAFN-RTBURBONSA-N 0 3 465.643 1.944 20 0 JDADHN CCOCc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001503066455 1071022096 /nfs/dbraw/zinc/02/20/96/1071022096.db2.gz LJJUAEJMRIGEIS-BWKNWUBXSA-N 0 3 488.608 1.994 20 0 JDADHN CCOCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H](c1cccs1)N(C)C ZINC001503068230 1071024152 /nfs/dbraw/zinc/02/41/52/1071024152.db2.gz TVNQMSWEMRMCQG-OAHLLOKOSA-N 0 3 461.592 1.700 20 0 JDADHN CCOCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](c1cccs1)N(C)C ZINC001503068229 1071024178 /nfs/dbraw/zinc/02/41/78/1071024178.db2.gz TVNQMSWEMRMCQG-HNNXBMFYSA-N 0 3 461.592 1.700 20 0 JDADHN CCOCc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503078342 1071028280 /nfs/dbraw/zinc/02/82/80/1071028280.db2.gz BIVWGNOQMDCJIN-LEWJYISDSA-N 0 3 461.655 1.679 20 0 JDADHN CCOCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 ZINC001503093434 1071036567 /nfs/dbraw/zinc/03/65/67/1071036567.db2.gz HDYWYXAZTRSVSY-QFIPXVFZSA-N 0 3 491.681 1.306 20 0 JDADHN CCOCc1nnc(N2CCC[C@@H]2c2nncn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001503089218 1071035598 /nfs/dbraw/zinc/03/55/98/1071035598.db2.gz DMFXAFGDUUNLFI-MSOLQXFVSA-N 0 3 459.599 1.227 20 0 JDADHN COc1ccc(OCc2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001504308458 1071037605 /nfs/dbraw/zinc/03/76/05/1071037605.db2.gz BKRZBGSWWTUZDF-UHFFFAOYSA-N 0 3 499.616 1.088 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001503098199 1071042443 /nfs/dbraw/zinc/04/24/43/1071042443.db2.gz LQIYAPSQVYCONE-OALUTQOASA-N 0 3 459.595 1.453 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](c1ccco1)N(C)C ZINC001503098200 1071042504 /nfs/dbraw/zinc/04/25/04/1071042504.db2.gz LQIYAPSQVYCONE-RBUKOAKNSA-N 0 3 459.595 1.453 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCNC(=O)c1occc1C ZINC001503099527 1071046495 /nfs/dbraw/zinc/04/64/95/1071046495.db2.gz UANQRQMXXGHEKY-IBGZPJMESA-N 0 3 487.605 1.279 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc([C@@H](C)O)cc1 ZINC001503099868 1071048301 /nfs/dbraw/zinc/04/83/01/1071048301.db2.gz XUFILEXIEZSQMX-WIYYLYMNSA-N 0 3 456.591 1.659 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc([C@H](C)O)cc1 ZINC001503099865 1071047594 /nfs/dbraw/zinc/04/75/94/1071047594.db2.gz XUFILEXIEZSQMX-GHTZIAJQSA-N 0 3 456.591 1.659 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cc(C)cc(OC)c1 ZINC001503100104 1071049438 /nfs/dbraw/zinc/04/94/38/1071049438.db2.gz VHIZVDHKFNAMFP-UHFFFAOYSA-N 0 3 456.591 1.924 20 0 JDADHN COc1cccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCNC(=O)CC2)N(C)C)c1 ZINC001504324440 1071059238 /nfs/dbraw/zinc/05/92/38/1071059238.db2.gz DKPABTFDIFDEHQ-LJQANCHMSA-N 0 3 497.625 1.907 20 0 JDADHN COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)N(C)C)c1 ZINC001504324236 1071059303 /nfs/dbraw/zinc/05/93/03/1071059303.db2.gz CYYNJHUIUZMWIL-IEBWSBKVSA-N 0 3 455.563 1.024 20 0 JDADHN COc1cccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)N(C)C)c1 ZINC001504326133 1071060656 /nfs/dbraw/zinc/06/06/56/1071060656.db2.gz WBDZPGGNJRNYRV-JOCHJYFZSA-N 0 3 495.632 1.200 20 0 JDADHN COc1cccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)N2CCOCC2)N(C)C)c1 ZINC001504325611 1071060797 /nfs/dbraw/zinc/06/07/97/1071060797.db2.gz PQLKKLRADBNKKX-IRLDBZIGSA-N 0 3 486.617 1.779 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCN1CCOC(C)(C)C1 ZINC001503109807 1071064827 /nfs/dbraw/zinc/06/48/27/1071064827.db2.gz PKDHOVCGROOJGV-LJQANCHMSA-N 0 3 450.628 1.615 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001503110643 1071065460 /nfs/dbraw/zinc/06/54/60/1071065460.db2.gz YNPREVCLLKVKSK-NRFANRHFSA-N 0 3 450.628 1.472 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1c(CC)nn(C)c1OC ZINC001503110405 1071065574 /nfs/dbraw/zinc/06/55/74/1071065574.db2.gz WEFPCIDGPUTZMN-QGZVFWFLSA-N 0 3 461.611 1.857 20 0 JDADHN COc1cccc(-c2nnc(N3CCN(C(C)C)CC3)n2CCN2CCN(C(C)=O)CC2)c1 ZINC001504344374 1071074529 /nfs/dbraw/zinc/07/45/29/1071074529.db2.gz YYDVCLDTBLKGOR-UHFFFAOYSA-N 0 3 455.607 1.648 20 0 JDADHN CCOCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001503115439 1071076152 /nfs/dbraw/zinc/07/61/52/1071076152.db2.gz QILXYOSAVHLERL-QZTJIDSGSA-N 0 3 452.600 1.886 20 0 JDADHN CCOCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC1CCN(C(=O)OC)CC1 ZINC001503115492 1071077235 /nfs/dbraw/zinc/07/72/35/1071077235.db2.gz RRMTVJOUVZKAJU-LJQANCHMSA-N 0 3 450.584 1.452 20 0 JDADHN CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@H](c1cccs1)N(C)C ZINC001503115793 1071077426 /nfs/dbraw/zinc/07/74/26/1071077426.db2.gz CLXBOLWZJFFTAP-CVEARBPZSA-N 0 3 461.592 1.652 20 0 JDADHN CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001503116092 1071079130 /nfs/dbraw/zinc/07/91/30/1071079130.db2.gz ZSSLPYLNKPEKJA-IBGZPJMESA-N 0 3 474.581 1.851 20 0 JDADHN CCOCc1nnc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503121749 1071088129 /nfs/dbraw/zinc/08/81/29/1071088129.db2.gz AMVJGXMZVQCWLR-LEWJYISDSA-N 0 3 460.627 1.251 20 0 JDADHN COc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001504356585 1071088878 /nfs/dbraw/zinc/08/88/78/1071088878.db2.gz SNZXNECNBKBOQP-MRXNPFEDSA-N 0 3 450.609 1.866 20 0 JDADHN CCOCc1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503127783 1071091908 /nfs/dbraw/zinc/09/19/08/1071091908.db2.gz HJUJOKHRWLOEHD-ZRCGQRJVSA-N 0 3 450.628 1.472 20 0 JDADHN CCOC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001503140480 1071096822 /nfs/dbraw/zinc/09/68/22/1071096822.db2.gz HVVJUZPZOQZBRZ-CTNGQTDRSA-N 0 3 470.622 1.931 20 0 JDADHN CCOC[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001503141842 1071098068 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COCC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)CC1 ZINC001504530198 1071315588 /nfs/dbraw/zinc/31/55/88/1071315588.db2.gz GVPMNCGHEPHGMY-UHFFFAOYSA-N 0 3 478.395 1.593 20 0 JDADHN COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2Cc2ccccc2)CC1 ZINC001504531605 1071321189 /nfs/dbraw/zinc/32/11/89/1071321189.db2.gz UVJLIRKJIZXJCT-OAQYLSRUSA-N 0 3 483.617 1.376 20 0 JDADHN COCC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001504536024 1071338831 /nfs/dbraw/zinc/33/88/31/1071338831.db2.gz ZUMKESXYXBJRPI-AZUAARDMSA-N 0 3 460.554 1.519 20 0 JDADHN COCC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCN(C)Cc2ccccc2)CC1 ZINC001504536153 1071339541 /nfs/dbraw/zinc/33/95/41/1071339541.db2.gz UTLZENKLQHOOEJ-UHFFFAOYSA-N 0 3 463.586 1.691 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503269371 1071350522 /nfs/dbraw/zinc/35/05/22/1071350522.db2.gz FTLMXFHRQDCUQN-GOSISDBHSA-N 0 3 465.624 1.103 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503269407 1071351148 /nfs/dbraw/zinc/35/11/48/1071351148.db2.gz GZEQMQUBAYAWOA-LJQANCHMSA-N 0 3 479.651 1.114 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503269406 1071351394 /nfs/dbraw/zinc/35/13/94/1071351394.db2.gz GZEQMQUBAYAWOA-IBGZPJMESA-N 0 3 479.651 1.114 20 0 JDADHN CCS(=O)(=O)NC1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001503270282 1071356420 /nfs/dbraw/zinc/35/64/20/1071356420.db2.gz DETAZWRAJPPTAS-HXUWFJFHSA-N 0 3 495.694 1.396 20 0 JDADHN CCS(=O)(=O)NC1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001503270281 1071356519 /nfs/dbraw/zinc/35/65/19/1071356519.db2.gz DETAZWRAJPPTAS-FQEVSTJZSA-N 0 3 495.694 1.396 20 0 JDADHN COCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504553298 1071377693 /nfs/dbraw/zinc/37/76/93/1071377693.db2.gz ARTHIMBIUSXPSL-FQEVSTJZSA-N 0 3 455.607 1.679 20 0 JDADHN CCS(=O)(=O)NCCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503276730 1071391420 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CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cscn1 ZINC001503357870 1071560840 /nfs/dbraw/zinc/56/08/40/1071560840.db2.gz BKWTWWVDNGJMMC-SJORKVTESA-N 0 3 460.608 1.265 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cscn1 ZINC001503357861 1071561234 /nfs/dbraw/zinc/56/12/34/1071561234.db2.gz BKWTWWVDNGJMMC-DLBZAZTESA-N 0 3 460.608 1.265 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccn1 ZINC001503357926 1071561942 /nfs/dbraw/zinc/56/19/42/1071561942.db2.gz PPFHJHMVDXNKCC-HXUWFJFHSA-N 0 3 468.606 1.375 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1C(C)(C)C ZINC001503358081 1071563207 /nfs/dbraw/zinc/56/32/07/1071563207.db2.gz QBGSQCDAANDRLO-LJQANCHMSA-N 0 3 473.666 1.967 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001503358211 1071564476 /nfs/dbraw/zinc/56/44/76/1071564476.db2.gz SGYLWBLVOBQWCM-RTBURBONSA-N 0 3 495.550 1.974 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCCC(C)(C)C1 ZINC001503358181 1071564511 /nfs/dbraw/zinc/56/45/11/1071564511.db2.gz RQYDICIYJWWSMA-IBGZPJMESA-N 0 3 459.639 1.970 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001503358354 1071565194 /nfs/dbraw/zinc/56/51/94/1071565194.db2.gz GVHQBKUDFJFDCJ-IAGOWNOFSA-N 0 3 485.555 1.951 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001503358357 1071565395 /nfs/dbraw/zinc/56/53/95/1071565395.db2.gz GVHQBKUDFJFDCJ-IRXDYDNUSA-N 0 3 485.555 1.951 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001503358351 1071565781 /nfs/dbraw/zinc/56/57/81/1071565781.db2.gz GVHQBKUDFJFDCJ-DLBZAZTESA-N 0 3 485.555 1.951 20 0 JDADHN CN(C)C(=O)CC1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001503358768 1071567470 /nfs/dbraw/zinc/56/74/70/1071567470.db2.gz LHAWYZTVQNXNCS-UHFFFAOYSA-N 0 3 469.638 1.456 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001503358644 1071567503 /nfs/dbraw/zinc/56/75/03/1071567503.db2.gz XXEAOEACDBCARP-NHCUHLMSSA-N 0 3 483.617 1.808 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001503359171 1071569038 /nfs/dbraw/zinc/56/90/38/1071569038.db2.gz KBOVZLHMESTMLE-LEWJYISDSA-N 0 3 455.607 1.679 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001503359439 1071569949 /nfs/dbraw/zinc/56/99/49/1071569949.db2.gz LZPFLWIMZSJQHU-IBGZPJMESA-N 0 3 497.710 1.281 20 0 JDADHN COC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC(C)CC2)C[C@H](C)O1 ZINC001504712434 1071570049 /nfs/dbraw/zinc/57/00/49/1071570049.db2.gz XBJVMXJIZNDLNP-RBUKOAKNSA-N 0 3 457.579 1.897 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(F)(F)F ZINC001503359431 1071569997 /nfs/dbraw/zinc/56/99/97/1071569997.db2.gz LXUPWTNBLLFNOJ-HNNXBMFYSA-N 0 3 485.511 1.947 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001503361890 1071578309 /nfs/dbraw/zinc/57/83/09/1071578309.db2.gz ZJPHRINYAPOYFH-OALUTQOASA-N 0 3 461.655 1.901 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 ZINC001503361926 1071579400 /nfs/dbraw/zinc/57/94/00/1071579400.db2.gz ZRZSMKLCTSXFTQ-FQEVSTJZSA-N 0 3 483.665 1.926 20 0 JDADHN CN(C)C(=O)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503363484 1071585418 /nfs/dbraw/zinc/58/54/18/1071585418.db2.gz JFSCHTOEVPAZGI-LJQANCHMSA-N 0 3 461.611 1.133 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC001504725170 1071591423 /nfs/dbraw/zinc/59/14/23/1071591423.db2.gz KEINSYPHQPTCNZ-MHTWAQMVSA-N 0 3 478.638 1.703 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC001504725168 1071591625 /nfs/dbraw/zinc/59/16/25/1071591625.db2.gz KEINSYPHQPTCNZ-BURNTYAHSA-N 0 3 478.638 1.703 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001504728375 1071596980 /nfs/dbraw/zinc/59/69/80/1071596980.db2.gz WRQYTFXFKIKTRF-UFYCRDLUSA-N 0 3 458.563 1.392 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)C[C@@H](C)O1 ZINC001504730127 1071599861 /nfs/dbraw/zinc/59/98/61/1071599861.db2.gz PVAXMKRZCUTCDB-AYWYSENESA-N 0 3 483.679 1.931 20 0 JDADHN CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503370474 1071602130 /nfs/dbraw/zinc/60/21/30/1071602130.db2.gz KZPRGESKESNWMM-UHFFFAOYSA-N 0 3 494.438 1.683 20 0 JDADHN CN(C)C(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503373866 1071610338 /nfs/dbraw/zinc/61/03/38/1071610338.db2.gz IEIADTDNRYBHQM-MOPGFXCFSA-N 0 3 491.637 1.597 20 0 JDADHN COCCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504739087 1071617050 /nfs/dbraw/zinc/61/70/50/1071617050.db2.gz NPMDCHVZETZFEY-IBGZPJMESA-N 0 3 498.632 1.731 20 0 JDADHN COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001504748245 1071625565 /nfs/dbraw/zinc/62/55/65/1071625565.db2.gz OJGYPKCJVSQSFY-MTNXOHHFSA-N 0 3 450.628 1.905 20 0 JDADHN COCC[C@](C)(O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001504751251 1071632678 /nfs/dbraw/zinc/63/26/78/1071632678.db2.gz LBYQEPPBHBHCRH-CYFREDJKSA-N 0 3 459.591 1.900 20 0 JDADHN COCC[C@@](C)(O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001504751261 1071633331 /nfs/dbraw/zinc/63/33/31/1071633331.db2.gz LBYQEPPBHBHCRH-YADARESESA-N 0 3 459.591 1.900 20 0 JDADHN CN(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1)c1ccc(F)cc1 ZINC001503380445 1071636076 /nfs/dbraw/zinc/63/60/76/1071636076.db2.gz HLYCFAFSXZWEOP-WOJBJXKFSA-N 0 3 478.594 1.819 20 0 JDADHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1cccc(F)c1 ZINC001503380467 1071636245 /nfs/dbraw/zinc/63/62/45/1071636245.db2.gz HOXZTKAYJVSRMQ-HXUWFJFHSA-N 0 3 498.611 1.644 20 0 JDADHN CN(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC001503381726 1071636754 /nfs/dbraw/zinc/63/67/54/1071636754.db2.gz MJKORGQZOMHVCK-SFHVURJKSA-N 0 3 475.644 1.710 20 0 JDADHN CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1cccc(F)c1 ZINC001503381444 1071636998 /nfs/dbraw/zinc/63/69/98/1071636998.db2.gz BTLNHBHGLYZLKJ-UYAOXDASSA-N 0 3 480.610 1.696 20 0 JDADHN CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CCOCC1 ZINC001503387184 1071645624 /nfs/dbraw/zinc/64/56/24/1071645624.db2.gz NYRJNROWEVYGEA-QFIPXVFZSA-N 0 3 490.630 1.161 20 0 JDADHN CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 ZINC001503387304 1071645523 /nfs/dbraw/zinc/64/55/23/1071645523.db2.gz JBTOBTAZEIXLLH-RBUKOAKNSA-N 0 3 455.563 1.003 20 0 JDADHN CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(N)=O)C2)CCSC1 ZINC001503386838 1071645028 /nfs/dbraw/zinc/64/50/28/1071645028.db2.gz MFOIOVSYUWTQAX-BTYIYWSLSA-N 0 3 458.592 1.064 20 0 JDADHN CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(N)=O)C2)CCSC1 ZINC001503386839 1071645075 /nfs/dbraw/zinc/64/50/75/1071645075.db2.gz MFOIOVSYUWTQAX-YCRPNKLZSA-N 0 3 458.592 1.064 20 0 JDADHN CN(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC001503388116 1071645954 /nfs/dbraw/zinc/64/59/54/1071645954.db2.gz VMPUWSJCBZZAOS-JKSUJKDBSA-N 0 3 454.622 1.576 20 0 JDADHN COCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001504756934 1071646131 /nfs/dbraw/zinc/64/61/31/1071646131.db2.gz ZLKUIJOLFRCDIT-XMMPIXPASA-N 0 3 458.607 1.985 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 ZINC001503397547 1071656057 /nfs/dbraw/zinc/65/60/57/1071656057.db2.gz DXGMWMFSICSSGH-QGZVFWFLSA-N 0 3 481.692 1.941 20 0 JDADHN CN(C)CC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001503400033 1071660594 /nfs/dbraw/zinc/66/05/94/1071660594.db2.gz ZEHZRQLFFIZTOJ-SFHVURJKSA-N 0 3 459.620 1.728 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001503400331 1071660950 /nfs/dbraw/zinc/66/09/50/1071660950.db2.gz RZAWIAIGSJIIEF-FQEVSTJZSA-N 0 3 494.706 1.997 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001503401189 1071663468 /nfs/dbraw/zinc/66/34/68/1071663468.db2.gz XYJDQUZICJLOJC-IXDOHACOSA-N 0 3 452.625 1.015 20 0 JDADHN CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)c1 ZINC001503405824 1071676731 /nfs/dbraw/zinc/67/67/31/1071676731.db2.gz QSIWBZDGDDCLSA-QHCPKHFHSA-N 0 3 492.646 1.267 20 0 JDADHN COCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001504799546 1071678373 /nfs/dbraw/zinc/67/83/73/1071678373.db2.gz BNLXATGANXULHT-WOJBJXKFSA-N 0 3 468.668 1.212 20 0 JDADHN COCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001504808501 1071682320 /nfs/dbraw/zinc/68/23/20/1071682320.db2.gz SYBREZPIBPLONF-SFTDATJTSA-N 0 3 456.591 1.993 20 0 JDADHN COCCCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001504816394 1071692236 /nfs/dbraw/zinc/69/22/36/1071692236.db2.gz BSIVOIKOYQSGJI-MOPGFXCFSA-N 0 3 496.678 1.524 20 0 JDADHN COCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504819046 1071702524 /nfs/dbraw/zinc/70/25/24/1071702524.db2.gz DTYHPGZLHRGKIH-NRFANRHFSA-N 0 3 483.617 1.927 20 0 JDADHN CN(C)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001503416606 1071705009 /nfs/dbraw/zinc/70/50/09/1071705009.db2.gz UNOSAJLPVDRPLR-MRXNPFEDSA-N 0 3 469.011 1.728 20 0 JDADHN COCCCn1c(Cc2cccnc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504828328 1071711836 /nfs/dbraw/zinc/71/18/36/1071711836.db2.gz WKFNRTVITMNORW-UGKGYDQZSA-N 0 3 455.607 1.679 20 0 JDADHN COCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504828326 1071711868 /nfs/dbraw/zinc/71/18/68/1071711868.db2.gz WKFNRTVITMNORW-KNQAVFIVSA-N 0 3 455.607 1.679 20 0 JDADHN COCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504828729 1071711889 /nfs/dbraw/zinc/71/18/89/1071711889.db2.gz KWSGSSXNEMPOIC-HXUWFJFHSA-N 0 3 456.591 1.657 20 0 JDADHN CN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1ccn[nH]1)C1CCN(CCn2cccn2)CC1 ZINC001503422884 1071712265 /nfs/dbraw/zinc/71/22/65/1071712265.db2.gz FYJAMMIOIRQTTM-UHFFFAOYSA-N 0 3 482.637 1.817 20 0 JDADHN CN(c1nnc([C@H]2CCCCO2)n1CCCS(C)(=O)=O)C1CCN(CCn2cccn2)CC1 ZINC001503430153 1071721569 /nfs/dbraw/zinc/72/15/69/1071721569.db2.gz QAHHYBGHPAMKGS-HXUWFJFHSA-N 0 3 479.651 1.752 20 0 JDADHN CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1)[C@@H]1CCSC1 ZINC001503431226 1071724715 /nfs/dbraw/zinc/72/47/15/1071724715.db2.gz HDWPVVZEFKPJGX-SJORKVTESA-N 0 3 458.654 1.039 20 0 JDADHN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1)[C@H]1CCSC1 ZINC001503431223 1071724914 /nfs/dbraw/zinc/72/49/14/1071724914.db2.gz HDWPVVZEFKPJGX-DLBZAZTESA-N 0 3 458.654 1.039 20 0 JDADHN COCCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001504835287 1071733379 /nfs/dbraw/zinc/73/33/79/1071733379.db2.gz URCFYZBLTDTMPL-NRFANRHFSA-N 0 3 491.681 1.177 20 0 JDADHN COCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 ZINC001504846210 1071741999 /nfs/dbraw/zinc/74/19/99/1071741999.db2.gz FCFZGIULIZSRMA-LEWJYISDSA-N 0 3 461.632 1.827 20 0 JDADHN COCCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001504848076 1071743836 /nfs/dbraw/zinc/74/38/36/1071743836.db2.gz NHDSLTDCRIWOGW-NRFANRHFSA-N 0 3 456.591 1.774 20 0 JDADHN COCCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001504848077 1071744535 /nfs/dbraw/zinc/74/45/35/1071744535.db2.gz NHDSLTDCRIWOGW-OAQYLSRUSA-N 0 3 456.591 1.774 20 0 JDADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 ZINC001504853497 1071757775 /nfs/dbraw/zinc/75/77/75/1071757775.db2.gz CKADFLCWXQLFOE-HNNXBMFYSA-N 0 3 454.572 1.168 20 0 JDADHN CN(CC(=O)NC(C)(C)C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 ZINC001503443180 1071761113 /nfs/dbraw/zinc/76/11/13/1071761113.db2.gz YCRVTQNKCFWFIC-UHFFFAOYSA-N 0 3 488.637 1.383 20 0 JDADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001504853457 1071758260 /nfs/dbraw/zinc/75/82/60/1071758260.db2.gz BQKRRTAGAFYZSH-INIZCTEOSA-N 0 3 478.610 1.872 20 0 JDADHN CN(C)C1(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC001503446677 1071765827 /nfs/dbraw/zinc/76/58/27/1071765827.db2.gz CLQWQPUSKMIWBR-KRWDZBQOSA-N 0 3 452.625 1.288 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001504856659 1071771383 /nfs/dbraw/zinc/77/13/83/1071771383.db2.gz DOBHWJOYJXYJRZ-MJGOQNOKSA-N 0 3 459.570 1.662 20 0 JDADHN COCCN(C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001504857347 1071776087 /nfs/dbraw/zinc/77/60/87/1071776087.db2.gz MKQFAVKKDHTING-SJORKVTESA-N 0 3 471.562 1.412 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001504857463 1071776167 /nfs/dbraw/zinc/77/61/67/1071776167.db2.gz ODWONFVQOOSLQR-JOCHJYFZSA-N 0 3 491.681 1.623 20 0 JDADHN COCCN(C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001504857342 1071776663 /nfs/dbraw/zinc/77/66/63/1071776663.db2.gz MKQFAVKKDHTING-IAGOWNOFSA-N 0 3 471.562 1.412 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001504857786 1071778572 /nfs/dbraw/zinc/77/85/72/1071778572.db2.gz SAAOXVQTILUJDD-FQEVSTJZSA-N 0 3 475.638 1.426 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001504857695 1071778656 /nfs/dbraw/zinc/77/86/56/1071778656.db2.gz PEHKYIQZZLXUIP-FQEVSTJZSA-N 0 3 456.591 1.759 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001504857781 1071778738 /nfs/dbraw/zinc/77/87/38/1071778738.db2.gz RVBUOVUCVVYIHH-QZTJIDSGSA-N 0 3 479.626 1.282 20 0 JDADHN COCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001504857778 1071778773 /nfs/dbraw/zinc/77/87/73/1071778773.db2.gz RUCXLLVNDPWGFK-IBGZPJMESA-N 0 3 469.590 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COCCN(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001504858154 1071782006 /nfs/dbraw/zinc/78/20/06/1071782006.db2.gz WAJVTWGKZZTCCE-DVECYGJZSA-N 0 3 494.637 1.782 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001504858214 1071783461 /nfs/dbraw/zinc/78/34/61/1071783461.db2.gz XIFAUHZAFZYTBQ-SLFFLAALSA-N 0 3 496.653 1.821 20 0 JDADHN COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001504859085 1071785808 /nfs/dbraw/zinc/78/58/08/1071785808.db2.gz SCBFMBYYIYVTFA-NFBKMPQASA-N 0 3 461.611 1.492 20 0 JDADHN COCCN(C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001504858735 1071784404 /nfs/dbraw/zinc/78/44/04/1071784404.db2.gz HQYCKMAZTPGWQP-LJQANCHMSA-N 0 3 459.595 1.946 20 0 JDADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001504859210 1071787070 /nfs/dbraw/zinc/78/70/70/1071787070.db2.gz WLYQDZWPZKYCDE-KNQAVFIVSA-N 0 3 489.690 1.497 20 0 JDADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001504859258 1071787095 /nfs/dbraw/zinc/78/70/95/1071787095.db2.gz XSPHKCDERFPJDK-UHFFFAOYSA-N 0 3 469.590 1.140 20 0 JDADHN COCCN(C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001504859205 1071787565 /nfs/dbraw/zinc/78/75/65/1071787565.db2.gz WFUHYZKVAQSLCK-SFHVURJKSA-N 0 3 489.646 1.399 20 0 JDADHN COCCN(C)CCn1c(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)nnc1C(C)(C)C ZINC001504859960 1071791646 /nfs/dbraw/zinc/79/16/46/1071791646.db2.gz BAVUFGFRUZHDII-SFTDATJTSA-N 0 3 477.698 1.971 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001504860559 1071794620 /nfs/dbraw/zinc/79/46/20/1071794620.db2.gz IBTXHMZHGKJJAK-ZJPYXAASSA-N 0 3 451.568 1.889 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 ZINC001504861381 1071798764 /nfs/dbraw/zinc/79/87/64/1071798764.db2.gz NHGSJIUBNWMYKW-UXHICEINSA-N 0 3 493.653 1.449 20 0 JDADHN COCCN(C)CCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504861545 1071800132 /nfs/dbraw/zinc/80/01/32/1071800132.db2.gz OSAWZVKFNMISKS-PGRDOPGGSA-N 0 3 468.599 1.174 20 0 JDADHN COCCN(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001504861956 1071801177 /nfs/dbraw/zinc/80/11/77/1071801177.db2.gz RYBJBGJMEKLXTB-OKZBNKHCSA-N 0 3 479.626 1.329 20 0 JDADHN COCCN(C)CCn1c(N2CCc3c(cc[nH]c3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504861987 1071801199 /nfs/dbraw/zinc/80/11/99/1071801199.db2.gz SGXWIWUGJQKRQL-HSZRJFAPSA-N 0 3 460.579 1.560 20 0 JDADHN CN(Cc1cnccn1)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503504465 1071812958 /nfs/dbraw/zinc/81/29/58/1071812958.db2.gz MUSZEOTXALGDHR-UHFFFAOYSA-N 0 3 483.646 1.722 20 0 JDADHN COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504891118 1071813765 /nfs/dbraw/zinc/81/37/65/1071813765.db2.gz AQTXJXQERUJACJ-UHFFFAOYSA-N 0 3 478.619 1.143 20 0 JDADHN COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001504891924 1071815479 /nfs/dbraw/zinc/81/54/79/1071815479.db2.gz NCYYZDKSTOTHIT-UHFFFAOYSA-N 0 3 463.604 1.544 20 0 JDADHN COCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)cn1 ZINC001504897275 1071824089 /nfs/dbraw/zinc/82/40/89/1071824089.db2.gz QYXRNCXOPKJPIM-SFHVURJKSA-N 0 3 494.666 1.234 20 0 JDADHN CN(CC1CC(F)(F)C1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503524750 1071826379 /nfs/dbraw/zinc/82/63/79/1071826379.db2.gz XWNIRFGDMGRVCY-QGZVFWFLSA-N 0 3 474.622 1.688 20 0 JDADHN COCCn1cc(Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)cn1 ZINC001504897818 1071825522 /nfs/dbraw/zinc/82/55/22/1071825522.db2.gz IWOFODWFLWSRCH-UHFFFAOYSA-N 0 3 458.611 1.211 20 0 JDADHN CN(C[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN2CCCCC2)C1)S(C)(=O)=O ZINC001503548182 1071840228 /nfs/dbraw/zinc/84/02/28/1071840228.db2.gz YOJOLNPFQHNWRV-RTBURBONSA-N 0 3 454.641 1.723 20 0 JDADHN COCCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)N(C)C)C[C@H]1C 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/nfs/dbraw/zinc/59/08/93/1068590893.db2.gz RQGUPQONMJTAAK-FQEVSTJZSA-N 0 3 450.580 1.806 20 0 JDADHN NS(=O)(=O)c1ccc(OCCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC001469798404 1068592709 /nfs/dbraw/zinc/59/27/09/1068592709.db2.gz VWXKRDXOSACVEF-YADHBBJMSA-N 0 3 459.568 1.605 20 0 JDADHN CN1CCN(CCNC(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)CC1(C)C ZINC001469945395 1068637793 /nfs/dbraw/zinc/63/77/93/1068637793.db2.gz UKNLJJFQWIGCOD-QGZVFWFLSA-N 0 3 457.497 1.794 20 0 JDADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001469978603 1068653770 /nfs/dbraw/zinc/65/37/70/1068653770.db2.gz ABAJFUBUVZWPAA-UHFFFAOYSA-N 0 3 450.536 1.719 20 0 JDADHN Cc1ccc(CNC(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c(=O)n1C ZINC001470058606 1068678712 /nfs/dbraw/zinc/67/87/12/1068678712.db2.gz QATBVDQNLVEICI-UHFFFAOYSA-N 0 3 453.587 1.864 20 0 JDADHN C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)[C@@H](c1ccccc1)N(C)C ZINC001470093688 1068691032 /nfs/dbraw/zinc/69/10/32/1068691032.db2.gz 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COc1ccc(C[C@](C)(CO)NCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC ZINC001473840085 1069230463 /nfs/dbraw/zinc/23/04/63/1069230463.db2.gz PXFWWJYKVCCEAH-OAQYLSRUSA-N 0 3 451.545 1.181 20 0 JDADHN C[C@@H](Cc1cccnc1)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC001473874631 1069235215 /nfs/dbraw/zinc/23/52/15/1069235215.db2.gz KYHQBSGTDKQRFW-HNNXBMFYSA-N 0 3 452.964 1.915 20 0 JDADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCCNC(=O)CC3)CC2)cc1C ZINC001473880612 1069235447 /nfs/dbraw/zinc/23/54/47/1069235447.db2.gz AOUOIHDITCOIHY-UHFFFAOYSA-N 0 3 450.605 1.129 20 0 JDADHN CN1CCN(c2ncc(CNCc3cccc(NC(=O)CCN4CCOCC4)c3)cn2)CC1 ZINC001473940446 1069238356 /nfs/dbraw/zinc/23/83/56/1069238356.db2.gz CUGBVBHGQPXJNN-UHFFFAOYSA-N 0 3 453.591 1.179 20 0 JDADHN O=C1C[C@@H](NCc2cc(Br)c3c(c2)OCCCO3)CN1CCN1CCOCC1 ZINC001474018145 1069238905 /nfs/dbraw/zinc/23/89/05/1069238905.db2.gz ZEWWATWXMHSFMW-MRXNPFEDSA-N 0 3 454.365 1.633 20 0 JDADHN C[C@H](Cn1ncc2ccccc2c1=O)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001474073418 1069239923 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C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)Cc2ccc(F)cc2)C[C@@H]1F ZINC001505278325 1072448832 /nfs/dbraw/zinc/44/88/32/1072448832.db2.gz DLGSBDDPQZNHQZ-UXPWSPDFSA-N 0 3 498.600 1.676 20 0 JDADHN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC001505279548 1072450518 /nfs/dbraw/zinc/45/05/18/1072450518.db2.gz LFWJXLSUYDAGOL-QUCCMNQESA-N 0 3 498.632 1.996 20 0 JDADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)F ZINC001505286317 1072464878 /nfs/dbraw/zinc/46/48/78/1072464878.db2.gz AOSIMMBDJVYELH-HOTGVXAUSA-N 0 3 456.538 1.243 20 0 JDADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@@H]2CCOC2)n1CCCCCS(C)(=O)=O ZINC001505286376 1072465194 /nfs/dbraw/zinc/46/51/94/1072465194.db2.gz CNPOVVDVEACMLH-RBUKOAKNSA-N 0 3 469.652 1.686 20 0 JDADHN C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN(C)Cc2ccc(F)cc2)CCN1S(C)(=O)=O ZINC001505287406 1072468024 /nfs/dbraw/zinc/46/80/24/1072468024.db2.gz NNDUGZQSKNTVMB-FXAWDEMLSA-N 0 3 480.610 1.871 20 0 JDADHN C[C@@H]1CN(CCN(C)c2nnc(-c3ccccn3)n2CCCCN2CCOCC2)C[C@H](C)O1 ZINC001505290391 1072476757 /nfs/dbraw/zinc/47/67/57/1072476757.db2.gz SCMHISMSLZJYDK-OYRHEFFESA-N 0 3 457.623 1.998 20 0 JDADHN O=C(Cn1c(-c2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1)NCC(F)(F)F ZINC001505343696 1072526953 /nfs/dbraw/zinc/52/69/53/1072526953.db2.gz WZKZBDNJSBDELQ-UHFFFAOYSA-N 0 3 467.496 1.567 20 0 JDADHN O=C(Cn1c(CC2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1)NCC(F)F ZINC001505345214 1072533406 /nfs/dbraw/zinc/53/34/06/1072533406.db2.gz KCAXUTMFEKMXGG-UHFFFAOYSA-N 0 3 454.566 1.941 20 0 JDADHN O=C(CN1CCCC1)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)CC1 ZINC001505346691 1072539903 /nfs/dbraw/zinc/53/99/03/1072539903.db2.gz IRYDCXQHCBKIKR-INIZCTEOSA-N 0 3 492.568 1.267 20 0 JDADHN O=C(CN1CCCC1)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)CC1 ZINC001505346692 1072540006 /nfs/dbraw/zinc/54/00/06/1072540006.db2.gz IRYDCXQHCBKIKR-MRXNPFEDSA-N 0 3 492.568 1.267 20 0 JDADHN O=C(CN1CCCC1)N1CCN(c2nnc(Cc3cccnc3)n2CC(F)(F)Br)CC1 ZINC001505346764 1072540973 /nfs/dbraw/zinc/54/09/73/1072540973.db2.gz LOIWHAGPIOVNGI-UHFFFAOYSA-N 0 3 498.376 1.996 20 0 JDADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508181988 1072944010 /nfs/dbraw/zinc/94/40/10/1072944010.db2.gz CRFGFUNLLKJBCP-PMACEKPBSA-N 0 3 461.655 1.823 20 0 JDADHN CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC(C)CC2)C1 ZINC001508183572 1072947083 /nfs/dbraw/zinc/94/70/83/1072947083.db2.gz PKAYBIHOLGQJIR-TZIWHRDSSA-N 0 3 459.639 1.939 20 0 JDADHN CC(=O)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)C1 ZINC001508209785 1072973249 /nfs/dbraw/zinc/97/32/49/1072973249.db2.gz FFRTZQBVLHNAMQ-AZUAARDMSA-N 0 3 495.694 1.602 20 0 JDADHN CC(=O)N1CCCN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001508214307 1072977016 /nfs/dbraw/zinc/97/70/16/1072977016.db2.gz MYTRCTCLCCNUQI-UHFFFAOYSA-N 0 3 454.623 1.733 20 0 JDADHN CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001508215571 1072978111 /nfs/dbraw/zinc/97/81/11/1072978111.db2.gz JWHAUSUXLBGIJT-SFTDATJTSA-N 0 3 473.666 1.868 20 0 JDADHN CC(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)CC1 ZINC001508222740 1072986944 /nfs/dbraw/zinc/98/69/44/1072986944.db2.gz RLRCIHWYWUQFML-UXHICEINSA-N 0 3 466.652 1.359 20 0 JDADHN CC(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)CC1 ZINC001508222744 1072987038 /nfs/dbraw/zinc/98/70/38/1072987038.db2.gz RLRCIHWYWUQFML-WOJBJXKFSA-N 0 3 466.652 1.359 20 0 JDADHN CC(=O)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)CC1 ZINC001508222738 1072987189 /nfs/dbraw/zinc/98/71/89/1072987189.db2.gz RLRCIHWYWUQFML-PMACEKPBSA-N 0 3 466.652 1.359 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccn4C)n3CCC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001508230789 1072995031 /nfs/dbraw/zinc/99/50/31/1072995031.db2.gz DXMJPTBFOCGKBJ-KNQAVFIVSA-N 0 3 484.649 1.577 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC4CC4)n3CCNC(=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001508231767 1072996614 /nfs/dbraw/zinc/99/66/14/1072996614.db2.gz ILPITUBOZINDAB-NQIIRXRSSA-N 0 3 473.666 1.772 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001508231692 1072996789 /nfs/dbraw/zinc/99/67/89/1072996789.db2.gz HWKTYOFCXDNLCA-DENIHFKCSA-N 0 3 470.622 1.929 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC4CC4)n3CCNC(=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001508231771 1072996823 /nfs/dbraw/zinc/99/68/23/1072996823.db2.gz ILPITUBOZINDAB-WIYYLYMNSA-N 0 3 473.666 1.772 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001508231696 1072996921 /nfs/dbraw/zinc/99/69/21/1072996921.db2.gz HWKTYOFCXDNLCA-SIKLNZKXSA-N 0 3 470.622 1.929 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCNC(=O)c3ccn[nH]3)C[C@@H]2C)CC1 ZINC001508231938 1072997302 /nfs/dbraw/zinc/99/73/02/1072997302.db2.gz JSBZXVAZDMBVHW-PXNSSMCTSA-N 0 3 485.637 1.108 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3snnc3C)C[C@H]2C)CC1 ZINC001508232579 1072998113 /nfs/dbraw/zinc/99/81/13/1072998113.db2.gz NDYHPPWPCXOFON-QAPCUYQASA-N 0 3 489.650 1.003 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4ccccn4)n3CCNC(=O)C(C)C)C[C@@H]2C)CC1 ZINC001508232739 1072998467 /nfs/dbraw/zinc/99/84/67/1072998467.db2.gz MUWPLJFUUXEAEZ-REWPJTCUSA-N 0 3 496.660 1.415 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001508232822 1072998971 /nfs/dbraw/zinc/99/89/71/1072998971.db2.gz NHSUKTPICWOTNS-PGRDOPGGSA-N 0 3 482.633 1.552 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(NC(N)=O)cc3)C[C@H]2C)CC1 ZINC001508232775 1072999166 /nfs/dbraw/zinc/99/91/66/1072999166.db2.gz NANCGVHYUWMPDU-IERDGZPVSA-N 0 3 454.579 1.504 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCNC(=O)c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC001508233336 1073000318 /nfs/dbraw/zinc/00/03/18/1073000318.db2.gz POWNBLXMCPPGBE-WMZHIEFXSA-N 0 3 467.618 1.704 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CCc4ccccc4)n3CCC(=O)N(C)C)C[C@H]2C)CC1 ZINC001508233354 1073000573 /nfs/dbraw/zinc/00/05/73/1073000573.db2.gz PTQDDSZFRDEJEZ-QPPBQGQZSA-N 0 3 495.672 1.921 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@]3(O)CCSC3)C[C@H]2C)CC1 ZINC001508233507 1073000908 /nfs/dbraw/zinc/00/09/08/1073000908.db2.gz QLMNDPJUENNSGT-KKLQWCBXSA-N 0 3 464.680 1.724 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCNC(=O)C(C)C)C[C@H]2C)CC1 ZINC001508233683 1073002778 /nfs/dbraw/zinc/00/27/78/1073002778.db2.gz RCMVFTUOVVFHMG-KNQAVFIVSA-N 0 3 484.649 1.814 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccc4)n3CCOCCCO)C[C@H]2C)CC1 ZINC001508233892 1073003124 /nfs/dbraw/zinc/00/31/24/1073003124.db2.gz SPOLVJKWDPPJDI-OFNKIYASSA-N 0 3 470.618 1.723 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4ccncc4)n3CC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001508234083 1073003790 /nfs/dbraw/zinc/00/37/90/1073003790.db2.gz TUDLECRDRCKMDY-UGKGYDQZSA-N 0 3 482.633 1.167 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCc3nccnc3C)C[C@@H]2C)CC1 ZINC001508234077 1073003966 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/nfs/dbraw/zinc/00/65/27/1073006527.db2.gz YIDNNZGUJXHOII-KNQAVFIVSA-N 0 3 490.674 1.708 20 0 JDADHN CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001508237432 1073010138 /nfs/dbraw/zinc/01/01/38/1073010138.db2.gz OBVGWLQBDMKSPZ-SFHVURJKSA-N 0 3 483.621 1.008 20 0 JDADHN CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)CC1 ZINC001508255706 1073024712 /nfs/dbraw/zinc/02/47/12/1073024712.db2.gz USRKYXGKCBMROH-VQTJNVASSA-N 0 3 466.652 1.359 20 0 JDADHN CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)[C@@H](C)C1 ZINC001508257036 1073026783 /nfs/dbraw/zinc/02/67/83/1073026783.db2.gz ZRFKCSKANCWOER-WSTZPKSXSA-N 0 3 466.652 1.502 20 0 JDADHN CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cn1 ZINC001508278802 1073055063 /nfs/dbraw/zinc/05/50/63/1073055063.db2.gz AANPRECFKRHXNS-OAQYLSRUSA-N 0 3 497.648 1.423 20 0 JDADHN CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)CC1 ZINC001508307717 1073073540 /nfs/dbraw/zinc/07/35/40/1073073540.db2.gz TUZUIPJEZITJCV-FNOBOGDDSA-N 0 3 480.679 1.796 20 0 JDADHN CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508321039 1073080053 /nfs/dbraw/zinc/08/00/53/1073080053.db2.gz AMLGCMSVWXFVPJ-SFTDATJTSA-N 0 3 487.674 1.978 20 0 JDADHN CC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001508338609 1073095855 /nfs/dbraw/zinc/09/58/55/1073095855.db2.gz NJUPNVUZFOYBKS-SFHVURJKSA-N 0 3 459.620 1.870 20 0 JDADHN CC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001508338608 1073095987 /nfs/dbraw/zinc/09/59/87/1073095987.db2.gz NJUPNVUZFOYBKS-GOSISDBHSA-N 0 3 459.620 1.870 20 0 JDADHN CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001508339185 1073096255 /nfs/dbraw/zinc/09/62/55/1073096255.db2.gz VUXGIYGCJDACJP-QFIPXVFZSA-N 0 3 482.633 1.312 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001508347932 1073106879 /nfs/dbraw/zinc/10/68/79/1073106879.db2.gz NIDWJHVFJRTEPR-JBACZVJFSA-N 0 3 453.591 1.885 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)C1 ZINC001508350648 1073111738 /nfs/dbraw/zinc/11/17/38/1073111738.db2.gz FHBXWOXBMDPNRX-SESVDKBCSA-N 0 3 480.679 1.797 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)C1 ZINC001508353184 1073114890 /nfs/dbraw/zinc/11/48/90/1073114890.db2.gz NQCYUAXBAKQZRL-LEWJYISDSA-N 0 3 480.679 1.655 20 0 JDADHN CC(=O)NCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001508362468 1073130901 /nfs/dbraw/zinc/13/09/01/1073130901.db2.gz AQTIFKIWZDPJDA-NRFANRHFSA-N 0 3 471.581 1.853 20 0 JDADHN CC(=O)NC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CCO1 ZINC001508382002 1073179588 /nfs/dbraw/zinc/17/95/88/1073179588.db2.gz CEZCSTUIZXTHHH-TZIWHRDSSA-N 0 3 468.537 1.518 20 0 JDADHN CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001508390489 1073200274 /nfs/dbraw/zinc/20/02/74/1073200274.db2.gz YNARRLHWHILTOE-UHFFFAOYSA-N 0 3 462.620 1.653 20 0 JDADHN CC(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508397471 1073207740 /nfs/dbraw/zinc/20/77/40/1073207740.db2.gz JVZXWOAVULBKQR-UHFFFAOYSA-N 0 3 461.636 1.709 20 0 JDADHN CC(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001508397585 1073208435 /nfs/dbraw/zinc/20/84/35/1073208435.db2.gz LLDIDGWGXMMVNP-MRXNPFEDSA-N 0 3 461.636 1.850 20 0 JDADHN CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001508397886 1073208680 /nfs/dbraw/zinc/20/86/80/1073208680.db2.gz MZFAYJPKEMZKER-QFIPXVFZSA-N 0 3 454.623 1.395 20 0 JDADHN CC(=O)NCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508402515 1073213712 /nfs/dbraw/zinc/21/37/12/1073213712.db2.gz YJLXZYCVCFRMLI-UHFFFAOYSA-N 0 3 497.644 1.745 20 0 JDADHN C[C@H]([C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCN1CCN(C)C(C)(C)C1)S(C)(=O)=O ZINC001508429249 1073224084 /nfs/dbraw/zinc/22/40/84/1073224084.db2.gz BLQNHQZTRXELLR-DLBZAZTESA-N 0 3 451.641 1.557 20 0 JDADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CCN(C)C1CCCCC1 ZINC001508439243 1073240227 /nfs/dbraw/zinc/24/02/27/1073240227.db2.gz MIAGMRBFOFXJFH-ROUUACIJSA-N 0 3 468.668 1.923 20 0 JDADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CCN(C)C1CCCCC1 ZINC001508439236 1073240486 /nfs/dbraw/zinc/24/04/86/1073240486.db2.gz MIAGMRBFOFXJFH-QZTJIDSGSA-N 0 3 468.668 1.923 20 0 JDADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CCN(C)C1CCCCC1 ZINC001508439226 1073240536 /nfs/dbraw/zinc/24/05/36/1073240536.db2.gz MIAGMRBFOFXJFH-MSOLQXFVSA-N 0 3 468.668 1.923 20 0 JDADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001508440380 1073242847 /nfs/dbraw/zinc/24/28/47/1073242847.db2.gz JUFYKKJTUGIYFC-MOPGFXCFSA-N 0 3 477.679 1.548 20 0 JDADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CC1(N(C)C)CCOCC1 ZINC001508445204 1073250104 /nfs/dbraw/zinc/25/01/04/1073250104.db2.gz ZINLYJMQCMZCHO-SJORKVTESA-N 0 3 452.625 1.652 20 0 JDADHN CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(C(N)=O)c1 ZINC001508584060 1073280828 /nfs/dbraw/zinc/28/08/28/1073280828.db2.gz HXRBIZRGRPCJQG-UHFFFAOYSA-N 0 3 467.618 1.758 20 0 JDADHN CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001508585552 1073281613 /nfs/dbraw/zinc/28/16/13/1073281613.db2.gz RGGKKIBCUOUVLO-UHFFFAOYSA-N 0 3 468.606 1.153 20 0 JDADHN CC(C)(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCN1CCCS1(=O)=O ZINC001508597216 1073283866 /nfs/dbraw/zinc/28/38/66/1073283866.db2.gz UUFXBLPUHSEECF-UHFFFAOYSA-N 0 3 454.641 1.203 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CCCO2)CC1 ZINC001508621267 1073288171 /nfs/dbraw/zinc/28/81/71/1073288171.db2.gz XZPJDJGFHDMLRO-AUSIDOKSSA-N 0 3 498.694 1.738 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(-c3cnccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001508621556 1073288368 /nfs/dbraw/zinc/28/83/68/1073288368.db2.gz BRSYRMUXKRZFRJ-UHFFFAOYSA-N 0 3 470.603 1.634 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001508623429 1073290579 /nfs/dbraw/zinc/29/05/79/1073290579.db2.gz UCVYYYBLLQBHTR-UHFFFAOYSA-N 0 3 485.618 1.343 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(CCOc3ccccc3)n2CCNS(C)(=O)=O)CC1 ZINC001508623863 1073291108 /nfs/dbraw/zinc/29/11/08/1073291108.db2.gz VEOHHYJMZLBRRQ-UHFFFAOYSA-N 0 3 450.609 1.369 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCNS(C)(=O)=O)CC1 ZINC001508624634 1073291954 /nfs/dbraw/zinc/29/19/54/1073291954.db2.gz WQZZNAPIXVNEIH-UHFFFAOYSA-N 0 3 474.591 1.064 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)CC1 ZINC001508624641 1073292015 /nfs/dbraw/zinc/29/20/15/1073292015.db2.gz WTAQQWWGWDDRLG-UHFFFAOYSA-N 0 3 453.494 1.308 20 0 JDADHN CC(C)=CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508742959 1073357039 /nfs/dbraw/zinc/35/70/39/1073357039.db2.gz ZWHWDYLKKRYLMQ-GOSISDBHSA-N 0 3 454.641 1.793 20 0 JDADHN CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001508753383 1073357523 /nfs/dbraw/zinc/35/75/23/1073357523.db2.gz IKPBMAZVWGNCFP-UXHICEINSA-N 0 3 482.651 1.126 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC001508768843 1073362540 /nfs/dbraw/zinc/36/25/40/1073362540.db2.gz NALRFAATDZCPTN-RTWAWAEBSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 ZINC001508770313 1073363753 /nfs/dbraw/zinc/36/37/53/1073363753.db2.gz BHBRULOXNCLKFQ-PMACEKPBSA-N 0 3 480.679 1.605 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC001508770325 1073363848 /nfs/dbraw/zinc/36/38/48/1073363848.db2.gz BHBRULOXNCLKFQ-WOJBJXKFSA-N 0 3 480.679 1.605 20 0 JDADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001508778560 1073372813 /nfs/dbraw/zinc/37/28/13/1073372813.db2.gz LDWPLNJHSMDQGD-HXUWFJFHSA-N 0 3 488.681 1.168 20 0 JDADHN CC(C)C(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001508778557 1073373053 /nfs/dbraw/zinc/37/30/53/1073373053.db2.gz LDWPLNJHSMDQGD-FQEVSTJZSA-N 0 3 488.681 1.168 20 0 JDADHN CC(C)C(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508800507 1073385726 /nfs/dbraw/zinc/38/57/26/1073385726.db2.gz BMJCVPUDWQMAOE-QFIPXVFZSA-N 0 3 499.635 1.913 20 0 JDADHN CC(C)C(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001508802805 1073386624 /nfs/dbraw/zinc/38/66/24/1073386624.db2.gz PRIWGBDLUCJZMS-UHFFFAOYSA-N 0 3 455.607 1.727 20 0 JDADHN CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001508817417 1073395507 /nfs/dbraw/zinc/39/55/07/1073395507.db2.gz WNKLYDPNKLEIBA-UHFFFAOYSA-N 0 3 467.618 1.999 20 0 JDADHN CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508846641 1073412814 /nfs/dbraw/zinc/41/28/14/1073412814.db2.gz WIKSWNKSAIKLPF-YKSBVNFPSA-N 0 3 455.607 1.414 20 0 JDADHN CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001546312051 1073453555 /nfs/dbraw/zinc/45/35/55/1073453555.db2.gz JRNGHZFUWOKCLO-UHFFFAOYSA-N 0 3 498.676 1.907 20 0 JDADHN CC(C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001508957148 1073454348 /nfs/dbraw/zinc/45/43/48/1073454348.db2.gz CFUMPJQYDXHKNG-LJQANCHMSA-N 0 3 452.669 1.974 20 0 JDADHN CC(C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001508961837 1073455537 /nfs/dbraw/zinc/45/55/37/1073455537.db2.gz XKMXCQDYVNQMMJ-LJQANCHMSA-N 0 3 460.627 1.338 20 0 JDADHN CC(C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCN1CCCS1(=O)=O ZINC001508962077 1073455770 /nfs/dbraw/zinc/45/57/70/1073455770.db2.gz ZJVOTKDYAYGUTP-LJQANCHMSA-N 0 3 453.657 1.042 20 0 JDADHN CC(C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001508990442 1073462813 /nfs/dbraw/zinc/46/28/13/1073462813.db2.gz VDAFWAMLLXQDCD-HXUWFJFHSA-N 0 3 459.639 1.793 20 0 JDADHN CC(C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001508990440 1073463024 /nfs/dbraw/zinc/46/30/24/1073463024.db2.gz VDAFWAMLLXQDCD-FQEVSTJZSA-N 0 3 459.639 1.793 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001508993615 1073465950 /nfs/dbraw/zinc/46/59/50/1073465950.db2.gz HAVIAOVVSLWPOZ-UHFFFAOYSA-N 0 3 488.658 1.792 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001508996419 1073468686 /nfs/dbraw/zinc/46/86/86/1073468686.db2.gz MEPPIENNJDFQSM-ROUUACIJSA-N 0 3 452.625 1.112 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC(=O)NC1CCCCC1 ZINC001508996450 1073468967 /nfs/dbraw/zinc/46/89/67/1073468967.db2.gz MPFIDGUZOYCVNX-HXUWFJFHSA-N 0 3 459.639 1.983 20 0 JDADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC1(O)CCS(=O)(=O)CC1 ZINC001509004475 1073473095 /nfs/dbraw/zinc/47/30/95/1073473095.db2.gz SRVMMMSAMAFKFF-QGZVFWFLSA-N 0 3 455.625 1.031 20 0 JDADHN CC(C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001509012359 1073475699 /nfs/dbraw/zinc/47/56/99/1073475699.db2.gz FABPCTUOEIOUSY-DEOSSOPVSA-N 0 3 490.674 1.205 20 0 JDADHN CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001509171057 1073517316 /nfs/dbraw/zinc/51/73/16/1073517316.db2.gz AXNNRVMPGZNMQJ-UHFFFAOYSA-N 0 3 469.700 1.363 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001509206829 1073529841 /nfs/dbraw/zinc/52/98/41/1073529841.db2.gz AALITVMJSDFIRG-OAQYLSRUSA-N 0 3 467.618 1.561 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC(=O)N1CCCCC1 ZINC001509207061 1073530046 /nfs/dbraw/zinc/53/00/46/1073530046.db2.gz FCWBNYSOIWCJGI-HXUWFJFHSA-N 0 3 459.639 1.622 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC(=O)N1CCCCC1 ZINC001509207060 1073530265 /nfs/dbraw/zinc/53/02/65/1073530265.db2.gz FCWBNYSOIWCJGI-FQEVSTJZSA-N 0 3 459.639 1.622 20 0 JDADHN CC(C)Cc1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001509230810 1073541996 /nfs/dbraw/zinc/54/19/96/1073541996.db2.gz IEPQDELBNPBPSR-LEWJYISDSA-N 0 3 472.638 1.521 20 0 JDADHN CC(C)Cc1nnc(N2CCO[C@@H](c3cnn(C)c3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001509239141 1073544565 /nfs/dbraw/zinc/54/45/65/1073544565.db2.gz BKHDOPYQZKAWAG-LEWJYISDSA-N 0 3 472.638 1.731 20 0 JDADHN CC(C)Cc1nnc(N2CCO[C@H](c3cnn(C)c3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001509239155 1073544641 /nfs/dbraw/zinc/54/46/41/1073544641.db2.gz BKHDOPYQZKAWAG-RTWAWAEBSA-N 0 3 472.638 1.731 20 0 JDADHN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001509259011 1073549450 /nfs/dbraw/zinc/54/94/50/1073549450.db2.gz ALWVOHDQSRZIFU-URXFXBBRSA-N 0 3 497.706 1.916 20 0 JDADHN CC(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001509316313 1073562868 /nfs/dbraw/zinc/56/28/68/1073562868.db2.gz YMNFKGZJGVQFEN-VQTJNVASSA-N 0 3 452.669 1.831 20 0 JDADHN CC(C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001509346060 1073566946 /nfs/dbraw/zinc/56/69/46/1073566946.db2.gz BYGNHOTXGIRZTR-NHCUHLMSSA-N 0 3 462.639 1.978 20 0 JDADHN CC(C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001509346066 1073567133 /nfs/dbraw/zinc/56/71/33/1073567133.db2.gz BYGNHOTXGIRZTR-RTWAWAEBSA-N 0 3 462.639 1.978 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001509402497 1073577393 /nfs/dbraw/zinc/57/73/93/1073577393.db2.gz JNODKMDGEZFWQY-UHFFFAOYSA-N 0 3 470.622 1.814 20 0 JDADHN CC(C)CN1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001509403855 1073579763 /nfs/dbraw/zinc/57/97/63/1073579763.db2.gz INHPKFPWMZNAJT-QZTJIDSGSA-N 0 3 454.641 1.408 20 0 JDADHN CC(C)CN1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001509404258 1073580946 /nfs/dbraw/zinc/58/09/46/1073580946.db2.gz BOWRHNDOPMHZNA-GOSISDBHSA-N 0 3 494.687 1.872 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2c3ccccc3[nH]c2=O)CC1 ZINC001509404545 1073581257 /nfs/dbraw/zinc/58/12/57/1073581257.db2.gz KZFWBUFZDNSBQU-QGZVFWFLSA-N 0 3 490.634 1.422 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001509406576 1073585462 /nfs/dbraw/zinc/58/54/62/1073585462.db2.gz VNUWNRRSVHLTMM-MZKRTTBSSA-N 0 3 451.612 1.637 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001509406570 1073585723 /nfs/dbraw/zinc/58/57/23/1073585723.db2.gz VNUWNRRSVHLTMM-MIZPHKNDSA-N 0 3 451.612 1.637 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 ZINC001509411345 1073590454 /nfs/dbraw/zinc/59/04/54/1073590454.db2.gz QDSUUVTVMWFRCQ-UHFFFAOYSA-N 0 3 476.585 1.382 20 0 JDADHN CC(C)CN1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnccn2)C1 ZINC001509416747 1073592774 /nfs/dbraw/zinc/59/27/74/1073592774.db2.gz ZCFVNTBGGJPYGI-MOPGFXCFSA-N 0 3 461.636 1.975 20 0 JDADHN CC(C)CN1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001509416160 1073592814 /nfs/dbraw/zinc/59/28/14/1073592814.db2.gz YTFGCZPXSLTDOU-MOPGFXCFSA-N 0 3 468.668 1.509 20 0 JDADHN CC(C)CN1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001509416169 1073592889 /nfs/dbraw/zinc/59/28/89/1073592889.db2.gz YTFGCZPXSLTDOU-RTBURBONSA-N 0 3 468.668 1.509 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCC(=O)N(C)C)CC1 ZINC001509420382 1073594489 /nfs/dbraw/zinc/59/44/89/1073594489.db2.gz LQPDZMVTISWSGP-UHFFFAOYSA-N 0 3 466.590 1.448 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2COCCO2)CC1 ZINC001509426073 1073600032 /nfs/dbraw/zinc/60/00/32/1073600032.db2.gz DEBJBRHJBIVJKA-VQTJNVASSA-N 0 3 494.637 1.780 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)CC1=O ZINC001509427821 1073602290 /nfs/dbraw/zinc/60/22/90/1073602290.db2.gz KULUSKXCBFYROX-PMACEKPBSA-N 0 3 480.679 1.607 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)CC1=O ZINC001509428331 1073602997 /nfs/dbraw/zinc/60/29/97/1073602997.db2.gz MJELDWVDBFAWQH-LJQANCHMSA-N 0 3 468.668 1.604 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1=O ZINC001509430072 1073606849 /nfs/dbraw/zinc/60/68/49/1073606849.db2.gz OYZHEAMQPXYBME-PCCBWWKXSA-N 0 3 494.706 1.853 20 0 JDADHN CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001509432410 1073609825 /nfs/dbraw/zinc/60/98/25/1073609825.db2.gz YGHABTXVIAYSGL-HXUWFJFHSA-N 0 3 461.636 1.466 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2F)CC1 ZINC001509431887 1073609995 /nfs/dbraw/zinc/60/99/95/1073609995.db2.gz SLPMUYAXSXSDLX-HXUWFJFHSA-N 0 3 498.600 1.716 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCOC2)CC1 ZINC001509433087 1073612424 /nfs/dbraw/zinc/61/24/24/1073612424.db2.gz IBUWPOWQNZDZIC-YDIMBITNSA-N 0 3 478.638 1.978 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1=O ZINC001509433145 1073613022 /nfs/dbraw/zinc/61/30/22/1073613022.db2.gz VMRLUIRXDYXFCA-WOJBJXKFSA-N 0 3 480.679 1.605 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001509434248 1073617101 /nfs/dbraw/zinc/61/71/01/1073617101.db2.gz ZTUMDOKFVRPLLY-NRFANRHFSA-N 0 3 492.646 1.896 20 0 JDADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C ZINC001509547775 1073674237 /nfs/dbraw/zinc/67/42/37/1073674237.db2.gz PRWMBWCTRBDXFL-KURKYZTESA-N 0 3 468.624 1.234 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001509562375 1073683666 /nfs/dbraw/zinc/68/36/66/1073683666.db2.gz NBLZWRGDOLNNHL-CSODHUTKSA-N 0 3 452.625 1.002 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4ccsc4)n3CC(=O)NCC(F)F)C2)CC1 ZINC001509578255 1073696467 /nfs/dbraw/zinc/69/64/67/1073696467.db2.gz FMLGVHSQCYZKAL-GOSISDBHSA-N 0 3 481.617 1.916 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001509579873 1073700747 /nfs/dbraw/zinc/70/07/47/1073700747.db2.gz LLNAUUBKPUVBGE-MOPGFXCFSA-N 0 3 474.654 1.460 20 0 JDADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001509579879 1073700764 /nfs/dbraw/zinc/70/07/64/1073700764.db2.gz LLNAUUBKPUVBGE-OALUTQOASA-N 0 3 474.654 1.460 20 0 JDADHN CC(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCN2CCOCC2)CC1 ZINC001509579891 1073701596 /nfs/dbraw/zinc/70/15/96/1073701596.db2.gz DMFWBCBZULVLLP-UHFFFAOYSA-N 0 3 475.663 1.912 20 0 JDADHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(=O)N(C)C)C2)CC1 ZINC001509582334 1073706166 /nfs/dbraw/zinc/70/61/66/1073706166.db2.gz QSROUJKNUMUUJP-KRWDZBQOSA-N 0 3 493.454 1.729 20 0 JDADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CC(C)(C)O)C2)CC1 ZINC001509582545 1073706555 /nfs/dbraw/zinc/70/65/55/1073706555.db2.gz TZGWENSMLAOGHI-SFHVURJKSA-N 0 3 456.595 1.301 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CC(C)(C)O)C2)CC1 ZINC001509582536 1073706691 /nfs/dbraw/zinc/70/66/91/1073706691.db2.gz TZGWENSMLAOGHI-GOSISDBHSA-N 0 3 456.595 1.301 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO ZINC001509601836 1073725504 /nfs/dbraw/zinc/72/55/04/1073725504.db2.gz DKKXIXDICOMHHN-RBUKOAKNSA-N 0 3 472.590 1.539 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001509609670 1073733387 /nfs/dbraw/zinc/73/33/87/1073733387.db2.gz APTJXBRUHJWKGF-ICSRJNTNSA-N 0 3 453.591 1.920 20 0 JDADHN CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001509618790 1073741864 /nfs/dbraw/zinc/74/18/64/1073741864.db2.gz OMWPAVYLDDTJDA-CYFREDJKSA-N 0 3 477.654 1.217 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H]1CCCN1CCCO ZINC001509619190 1073742791 /nfs/dbraw/zinc/74/27/91/1073742791.db2.gz GBYBPNCDMABPJH-HXUWFJFHSA-N 0 3 477.654 1.346 20 0 JDADHN CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001509618796 1073742887 /nfs/dbraw/zinc/74/28/87/1073742887.db2.gz OMWPAVYLDDTJDA-NTKDMRAZSA-N 0 3 477.654 1.217 20 0 JDADHN CCOC(=O)C1=C(COCCNCC(N)=O)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000137055927 569864867 /nfs/dbraw/zinc/86/48/67/569864867.db2.gz FAKQIHAUXYAVJI-IBGZPJMESA-N 0 3 465.934 1.383 20 0 JDADHN O=C1NCCN([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)C12CNC2 ZINC001164410977 718878272 /nfs/dbraw/zinc/87/82/72/718878272.db2.gz KLDMDYXLMJWONP-HXUWFJFHSA-N 0 3 451.333 1.695 20 0 JDADHN CS(=O)(=O)N1CC[C@]2(C(=O)N3CCOCC3)CCN(c3ccc(CN4CCCC4)cn3)CC[C@@H]12 ZINC001164695919 719834097 /nfs/dbraw/zinc/83/40/97/719834097.db2.gz QQYDHHYUKKRLBD-ZJSXRUAMSA-N 0 3 491.658 1.157 20 0 JDADHN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(c3ncccc3CN3CCCC3)CC[C@H]12 ZINC001164694103 719834140 /nfs/dbraw/zinc/83/41/40/719834140.db2.gz DSIHGYJLLPOEHK-URXFXBBRSA-N 0 3 491.658 1.157 20 0 JDADHN CN(Cc1ccc(N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc1)C1CC1 ZINC001164818711 720273871 /nfs/dbraw/zinc/27/38/71/720273871.db2.gz MHJPDBLEYDISTB-YKSBVNFPSA-N 0 3 452.559 1.650 20 0 JDADHN CN(Cc1ccc(N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)nc1)C1CC1 ZINC001164818709 720274831 /nfs/dbraw/zinc/27/48/31/720274831.db2.gz MHJPDBLEYDISTB-RDPSFJRHSA-N 0 3 452.559 1.650 20 0 JDADHN O=C(NC[C@H]1CC[C@@]2(COCCN(c3ccc(CN4CCCC4)cn3)C2)O1)c1cnccn1 ZINC001164820548 720274871 /nfs/dbraw/zinc/27/48/71/720274871.db2.gz WEBPAPNEAKYFMB-HYBUGGRVSA-N 0 3 452.559 1.652 20 0 JDADHN CN(Cc1ccc(N2CCOC[C@@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc1)C1CC1 ZINC001164818707 720275112 /nfs/dbraw/zinc/27/51/12/720275112.db2.gz MHJPDBLEYDISTB-HYBUGGRVSA-N 0 3 452.559 1.650 20 0 JDADHN Cc1cc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164738555 720724774 /nfs/dbraw/zinc/72/47/74/720724774.db2.gz GAUXYXGSSLBQNI-DLBZAZTESA-N 0 3 453.572 1.968 20 0 JDADHN CCOC(=O)C1CCN(c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)CC1 ZINC001164747096 720728579 /nfs/dbraw/zinc/72/85/79/720728579.db2.gz ZXFZTDAFQIKRGT-MOPGFXCFSA-N 0 3 453.547 1.388 20 0 JDADHN CCOC(=O)C1CCN(c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)CC1 ZINC001164747105 720728634 /nfs/dbraw/zinc/72/86/34/720728634.db2.gz ZXFZTDAFQIKRGT-RBUKOAKNSA-N 0 3 453.547 1.388 20 0 JDADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164742904 720752598 /nfs/dbraw/zinc/75/25/98/720752598.db2.gz PGXOJANCEOARNL-RBUKOAKNSA-N 0 3 477.550 1.800 20 0 JDADHN CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)n1 ZINC001164746684 720808874 /nfs/dbraw/zinc/80/88/74/720808874.db2.gz MOMRZUMIFIWJFC-HRCADAONSA-N 0 3 451.984 1.504 20 0 JDADHN O=S1(=O)CCc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)N4CC4CC4)C3)c21 ZINC001164752618 720859278 /nfs/dbraw/zinc/85/92/78/720859278.db2.gz SZHFBVBKMKCMJE-BFYDXBDKSA-N 0 3 463.995 1.431 20 0 JDADHN CN(Cc1ccc(N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)nc1)C1CC1 ZINC001164754291 720943148 /nfs/dbraw/zinc/94/31/48/720943148.db2.gz VXXMGMZQUBYZCV-HSZRJFAPSA-N 0 3 461.632 1.386 20 0 JDADHN 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NC(=O)[C@@H]1CCCN1c1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncn1 ZINC001164962470 722061063 /nfs/dbraw/zinc/06/10/63/722061063.db2.gz SHJZCFWKXBLJQX-FQEVSTJZSA-N 0 3 451.575 1.445 20 0 JDADHN c1cncc(CN2CCO[C@H]3CN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)CC[C@H]3C2)c1 ZINC001164979335 722105372 /nfs/dbraw/zinc/10/53/72/722105372.db2.gz ICBZMNMNRVSDTQ-GOTSBHOMSA-N 0 3 495.628 1.272 20 0 JDADHN COC(=O)C1CCN(c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164979874 722127824 /nfs/dbraw/zinc/12/78/24/722127824.db2.gz QRUBOEZMPQKQEK-FCHUYYIVSA-N 0 3 466.586 1.988 20 0 JDADHN COC(=O)C1CCN(c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164979877 722128041 /nfs/dbraw/zinc/12/80/41/722128041.db2.gz QRUBOEZMPQKQEK-VXKWHMMOSA-N 0 3 466.586 1.988 20 0 JDADHN COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001164980932 722129816 /nfs/dbraw/zinc/12/98/16/722129816.db2.gz NWGGELLYDJTYNB-FGZHOGPDSA-N 0 3 466.586 1.988 20 0 JDADHN 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CCN1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001502259038 1069957758 /nfs/dbraw/zinc/95/77/58/1069957758.db2.gz HGFYUZMWNOOZNC-JKSUJKDBSA-N 0 3 469.681 1.882 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N2CCSCC2)C[C@@H]1C ZINC001502258744 1069957886 /nfs/dbraw/zinc/95/78/86/1069957886.db2.gz CDSDLMKITDWHCY-OALUTQOASA-N 0 3 493.703 1.561 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N2CCSCC2)C[C@H]1C ZINC001502258746 1069957949 /nfs/dbraw/zinc/95/79/49/1069957949.db2.gz CDSDLMKITDWHCY-RTBURBONSA-N 0 3 493.703 1.561 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C ZINC001502259230 1069958606 /nfs/dbraw/zinc/95/86/06/1069958606.db2.gz JUXKPQUZFOROEH-HOTGVXAUSA-N 0 3 451.597 1.257 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001502260403 1069959206 /nfs/dbraw/zinc/95/92/06/1069959206.db2.gz YLVAYRTZRPKGSF-MOPGFXCFSA-N 0 3 456.591 1.655 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001502260406 1069960272 /nfs/dbraw/zinc/96/02/72/1069960272.db2.gz YLVAYRTZRPKGSF-RTBURBONSA-N 0 3 456.591 1.655 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)NC)c2)C[C@H]1C ZINC001502262013 1069963738 /nfs/dbraw/zinc/96/37/38/1069963738.db2.gz SHBRYLXEUMMOPU-MSOLQXFVSA-N 0 3 453.591 1.727 20 0 JDADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC001478323239 1069964087 /nfs/dbraw/zinc/96/40/87/1069964087.db2.gz RIFDBFNAAIWKTA-SFHVURJKSA-N 0 3 451.930 1.534 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502262658 1069966385 /nfs/dbraw/zinc/96/63/85/1069966385.db2.gz BQDMMDDATJDPEJ-KSZLIROESA-N 0 3 499.682 1.818 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001502262467 1069966792 /nfs/dbraw/zinc/96/67/92/1069966792.db2.gz ZHBRUOJLTONFSE-IRXDYDNUSA-N 0 3 461.636 1.961 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001502262323 1069966871 /nfs/dbraw/zinc/96/68/71/1069966871.db2.gz XBEYQWQPLYENNB-UONOGXRCSA-N 0 3 469.562 1.570 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001502263414 1069967509 /nfs/dbraw/zinc/96/75/09/1069967509.db2.gz MGPPMIKTMHRZEJ-ZWKOTPCHSA-N 0 3 460.554 1.774 20 0 JDADHN COCCS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc1 ZINC001478431337 1069995760 /nfs/dbraw/zinc/99/57/60/1069995760.db2.gz NJZIMIHUGFFKKN-IBGZPJMESA-N 0 3 453.605 1.892 20 0 JDADHN CCN1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001502272446 1069996334 /nfs/dbraw/zinc/99/63/34/1069996334.db2.gz XGDRAKDIYMSVNU-KRWDZBQOSA-N 0 3 462.620 1.651 20 0 JDADHN CCN1CC[C@@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001502272548 1069998623 /nfs/dbraw/zinc/99/86/23/1069998623.db2.gz YHQFQHLMEIDQCE-AEFFLSMTSA-N 0 3 493.630 1.936 20 0 JDADHN 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ZINC001502281426 1070013646 /nfs/dbraw/zinc/01/36/46/1070013646.db2.gz ICVRHJUKZPKSRO-GOSISDBHSA-N 0 3 470.578 1.141 20 0 JDADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001502282386 1070017056 /nfs/dbraw/zinc/01/70/56/1070017056.db2.gz XDGKHYPVAHHAFQ-HNNXBMFYSA-N 0 3 474.520 1.903 20 0 JDADHN CCN1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001502282493 1070017237 /nfs/dbraw/zinc/01/72/37/1070017237.db2.gz YVPMMHNMDLKVAV-LJQANCHMSA-N 0 3 489.024 1.807 20 0 JDADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC001478580456 1070021298 /nfs/dbraw/zinc/02/12/98/1070021298.db2.gz VVVGFJGYBDZTIS-UHFFFAOYSA-N 0 3 453.341 1.661 20 0 JDADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001502282501 1070017579 /nfs/dbraw/zinc/01/75/79/1070017579.db2.gz YZLBPYLCZDIYKD-HXUWFJFHSA-N 0 3 485.637 1.281 20 0 JDADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001502282387 1070017635 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C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC001493211146 1070259635 /nfs/dbraw/zinc/25/96/35/1070259635.db2.gz BEIXVCFDGMWONQ-XMTFNYHQSA-N 0 3 468.668 1.855 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001502347198 1070263094 /nfs/dbraw/zinc/26/30/94/1070263094.db2.gz WDCQYSMRTBSNSZ-RTWAWAEBSA-N 0 3 475.682 1.925 20 0 JDADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001493212081 1070260883 /nfs/dbraw/zinc/26/08/83/1070260883.db2.gz FIJJCZOJLKJIOT-ZHALLVOQSA-N 0 3 480.679 1.638 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCNC(=O)CC2)CC1 ZINC001502346959 1070261224 /nfs/dbraw/zinc/26/12/24/1070261224.db2.gz QWBJCPAXBPYWIV-HXUWFJFHSA-N 0 3 485.633 1.466 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502347207 1070262643 /nfs/dbraw/zinc/26/26/43/1070262643.db2.gz WEEDKBAVAJYTCM-YADARESESA-N 0 3 454.623 1.239 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502347237 1070262756 /nfs/dbraw/zinc/26/27/56/1070262756.db2.gz WUMSLVVCIXEZAB-ILWGZMRPSA-N 0 3 457.623 1.388 20 0 JDADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001493267803 1070273186 /nfs/dbraw/zinc/27/31/86/1070273186.db2.gz XPKRHDNWQOHDOE-CEXWTWQISA-N 0 3 468.668 1.751 20 0 JDADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001493267808 1070273652 /nfs/dbraw/zinc/27/36/52/1070273652.db2.gz XPKRHDNWQOHDOE-OTWHNJEPSA-N 0 3 468.668 1.751 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001502352618 1070275159 /nfs/dbraw/zinc/27/51/59/1070275159.db2.gz IYITZRKIEMOXQY-XMMPIXPASA-N 0 3 477.654 1.218 20 0 JDADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC001502352975 1070277988 /nfs/dbraw/zinc/27/79/88/1070277988.db2.gz UGZVVABTGSXTJL-UHFFFAOYSA-N 0 3 487.653 1.486 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C)c3ccccc3C2)CC1 ZINC001502352793 1070276915 /nfs/dbraw/zinc/27/69/15/1070276915.db2.gz OCIBNJLAHRBANN-UHFFFAOYSA-N 0 3 468.650 1.900 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502352784 1070277141 /nfs/dbraw/zinc/27/71/41/1070277141.db2.gz NWXBQAQWOLDONU-IBGZPJMESA-N 0 3 483.621 1.010 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](O)(c3ccccc3F)C2)CC1 ZINC001502353036 1070279212 /nfs/dbraw/zinc/27/92/12/1070279212.db2.gz WKBKOQQWOZOLTE-RUZDIDTESA-N 0 3 487.624 1.681 20 0 JDADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001502354437 1070282583 /nfs/dbraw/zinc/28/25/83/1070282583.db2.gz IZZDYKBRBQQPJE-KURKYZTESA-N 0 3 453.657 1.008 20 0 JDADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001493293121 1070280750 /nfs/dbraw/zinc/28/07/50/1070280750.db2.gz RTYJCCRSXWWFLG-QYZOEREBSA-N 0 3 484.667 1.395 20 0 JDADHN CCN1CCN(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502354189 1070281183 /nfs/dbraw/zinc/28/11/83/1070281183.db2.gz BXPOTGYEBMWEAR-IBGZPJMESA-N 0 3 473.597 1.863 20 0 JDADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001493293120 1070281337 /nfs/dbraw/zinc/28/13/37/1070281337.db2.gz RTYJCCRSXWWFLG-QRVBRYPASA-N 0 3 484.667 1.395 20 0 JDADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001502354930 1070284879 /nfs/dbraw/zinc/28/48/79/1070284879.db2.gz QGXOMBILCFOOEF-BZSNNMDCSA-N 0 3 473.713 1.246 20 0 JDADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001493305751 1070285175 /nfs/dbraw/zinc/28/51/75/1070285175.db2.gz QMFFCJNVZGUGQX-GUDVDZBRSA-N 0 3 498.694 1.641 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502358186 1070292925 /nfs/dbraw/zinc/29/29/25/1070292925.db2.gz IQMTUSMZUMMHLV-NHCUHLMSSA-N 0 3 497.710 1.313 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001502356691 1070291672 /nfs/dbraw/zinc/29/16/72/1070291672.db2.gz RLFLJVVJGYDQFE-FGTMMUONSA-N 0 3 453.582 1.984 20 0 JDADHN CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001502357941 1070292846 /nfs/dbraw/zinc/29/28/46/1070292846.db2.gz GRGKIGGIDAUILA-IRLDBZIGSA-N 0 3 457.623 1.532 20 0 JDADHN CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001502357886 1070293014 /nfs/dbraw/zinc/29/30/14/1070293014.db2.gz FHDUGKMXKODKAS-UHFFFAOYSA-N 0 3 468.650 1.644 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502358187 1070293263 /nfs/dbraw/zinc/29/32/63/1070293263.db2.gz IQMTUSMZUMMHLV-RTWAWAEBSA-N 0 3 497.710 1.313 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502358236 1070293334 /nfs/dbraw/zinc/29/33/34/1070293334.db2.gz JCGXRAJOVOYOLM-JOCHJYFZSA-N 0 3 490.697 1.194 20 0 JDADHN 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CCOC1CC(O)(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC001502963269 1070912262 /nfs/dbraw/zinc/91/22/62/1070912262.db2.gz YKRZAJFLASEXMA-UHFFFAOYSA-N 0 3 471.606 1.261 20 0 JDADHN CCOC1CC(O)(Cn2c(N3C[C@@H](C)[C@H](N4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)C1 ZINC001502964732 1070917593 /nfs/dbraw/zinc/91/75/93/1070917593.db2.gz OGOPGQHRDUGQNH-IBOGUWCDSA-N 0 3 476.666 1.885 20 0 JDADHN CCOCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001502991525 1070945158 /nfs/dbraw/zinc/94/51/58/1070945158.db2.gz JZNCFJOJVWGKQU-LJQANCHMSA-N 0 3 486.683 1.452 20 0 JDADHN CCOCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001502992989 1070948665 /nfs/dbraw/zinc/94/86/65/1070948665.db2.gz XSXQTLOGYMEKQW-SFTDATJTSA-N 0 3 496.722 1.848 20 0 JDADHN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)cc1F ZINC001504261437 1070955062 /nfs/dbraw/zinc/95/50/62/1070955062.db2.gz QJNIALZZGGOBAT-GOSISDBHSA-N 0 3 460.554 1.771 20 0 JDADHN CCOCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001503027461 1070974733 /nfs/dbraw/zinc/97/47/33/1070974733.db2.gz WZIXDAUUABQAFG-TZIWHRDSSA-N 0 3 456.591 1.773 20 0 JDADHN CCOCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001503027458 1070976603 /nfs/dbraw/zinc/97/66/03/1070976603.db2.gz WZIXDAUUABQAFG-CTNGQTDRSA-N 0 3 456.591 1.773 20 0 JDADHN CCOCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCCOC1CCOCC1 ZINC001503030665 1070984082 /nfs/dbraw/zinc/98/40/82/1070984082.db2.gz DFXGXIDVQXIPMJ-OFNKIYASSA-N 0 3 492.665 1.779 20 0 JDADHN CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@](C)(O)c1ccco1 ZINC001503032567 1070984769 /nfs/dbraw/zinc/98/47/69/1070984769.db2.gz IXXAIRUWVJGZEZ-WXVUKLJWSA-N 0 3 474.606 1.694 20 0 JDADHN COc1ccc(CN2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCC3)CC2=O)cc1 ZINC001504285698 1071012055 /nfs/dbraw/zinc/01/20/55/1071012055.db2.gz JPTSOFRCVHVTMP-UHFFFAOYSA-N 0 3 483.617 1.760 20 0 JDADHN COc1ccc(OC)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001504298271 1071025167 /nfs/dbraw/zinc/02/51/67/1071025167.db2.gz NFNSMQGPBUUCSV-QGZVFWFLSA-N 0 3 480.635 1.732 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1c(CC)nn(C)c1CC ZINC001503099210 1071045379 /nfs/dbraw/zinc/04/53/79/1071045379.db2.gz JDANSSKVGKOPIM-UHFFFAOYSA-N 0 3 472.638 1.466 20 0 JDADHN COc1ccc(OCc2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2CCN2CCCCC2)cc1 ZINC001504314729 1071045725 /nfs/dbraw/zinc/04/57/25/1071045725.db2.gz RUXFILPSZLBEFA-QFIPXVFZSA-N 0 3 472.590 1.693 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc([C@H](C)O)cc1 ZINC001503099867 1071048183 /nfs/dbraw/zinc/04/81/83/1071048183.db2.gz XUFILEXIEZSQMX-RXVVDRJESA-N 0 3 456.591 1.659 20 0 JDADHN CCOCc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503099384 1071045925 /nfs/dbraw/zinc/04/59/25/1071045925.db2.gz PSNOQZBRKAMVQP-FGZHOGPDSA-N 0 3 463.671 1.389 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001503099519 1071046642 /nfs/dbraw/zinc/04/66/42/1071046642.db2.gz NLKMUSLFQYJGPO-OYRHEFFESA-N 0 3 491.681 1.447 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001503099896 1071048352 /nfs/dbraw/zinc/04/83/52/1071048352.db2.gz ZFLXCDDORNNTGV-HXUWFJFHSA-N 0 3 478.544 1.915 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503100585 1071050403 /nfs/dbraw/zinc/05/04/03/1071050403.db2.gz HHQIGGORYMRBHQ-HXUWFJFHSA-N 0 3 478.686 1.718 20 0 JDADHN COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)N(C)C)c1 ZINC001504324238 1071059103 /nfs/dbraw/zinc/05/91/03/1071059103.db2.gz CYYNJHUIUZMWIL-MJGOQNOKSA-N 0 3 455.563 1.024 20 0 JDADHN COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNC(C)=O)C2)N(C)C)c1 ZINC001504323136 1071057087 /nfs/dbraw/zinc/05/70/87/1071057087.db2.gz AGUQGUYZCPDJBH-COPCDDAFSA-N 0 3 483.617 1.893 20 0 JDADHN COc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNC(C)=O)C2)N(C)C)c1 ZINC001504323141 1071057113 /nfs/dbraw/zinc/05/71/13/1071057113.db2.gz AGUQGUYZCPDJBH-QIJUGHKUSA-N 0 3 483.617 1.893 20 0 JDADHN COc1cccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)NC(C)C)N(C)C)c1 ZINC001504324020 1071058401 /nfs/dbraw/zinc/05/84/01/1071058401.db2.gz HHSGDKVGRWAIMF-FQEVSTJZSA-N 0 3 454.579 1.951 20 0 JDADHN COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)N(C)C)c1 ZINC001504324234 1071058901 /nfs/dbraw/zinc/05/89/01/1071058901.db2.gz CYYNJHUIUZMWIL-HKUYNNGSSA-N 0 3 455.563 1.024 20 0 JDADHN CCOCc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503103685 1071054682 /nfs/dbraw/zinc/05/46/82/1071054682.db2.gz MBUSZSGTJIAPOS-LJQANCHMSA-N 0 3 473.597 1.833 20 0 JDADHN CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503104620 1071055818 /nfs/dbraw/zinc/05/58/18/1071055818.db2.gz SPDZQZDCUJRWRF-UHFFFAOYSA-N 0 3 484.649 1.266 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCCC3)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001503108962 1071062020 /nfs/dbraw/zinc/06/20/20/1071062020.db2.gz FMQRWXACXNCLFY-UHFFFAOYSA-N 0 3 462.620 1.858 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503109296 1071063168 /nfs/dbraw/zinc/06/31/68/1071063168.db2.gz KBUUPNPODUOXCI-FQEVSTJZSA-N 0 3 461.655 1.822 20 0 JDADHN CCOCc1nnc(N2CCN(c3cnccn3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503107290 1071059775 /nfs/dbraw/zinc/05/97/75/1071059775.db2.gz LSUBQPHLVQXTLS-HXUWFJFHSA-N 0 3 457.627 1.205 20 0 JDADHN COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)N(C)C)c1 ZINC001504325132 1071059973 /nfs/dbraw/zinc/05/99/73/1071059973.db2.gz KSQQCBUOUWDHDZ-NJYVYQBISA-N 0 3 472.590 1.562 20 0 JDADHN COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)N(C)C)c1 ZINC001504325135 1071060025 /nfs/dbraw/zinc/06/00/25/1071060025.db2.gz KSQQCBUOUWDHDZ-PCCBWWKXSA-N 0 3 472.590 1.562 20 0 JDADHN COc1cccc([C@@H](Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)N(C)C)c1 ZINC001504325252 1071060137 /nfs/dbraw/zinc/06/01/37/1071060137.db2.gz PJNZTOSCOJCCFX-JOCHJYFZSA-N 0 3 466.590 1.815 20 0 JDADHN COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)N(C)C)c1 ZINC001504325429 1071060824 /nfs/dbraw/zinc/06/08/24/1071060824.db2.gz NJPZZMCPUJFFNW-ICSRJNTNSA-N 0 3 483.617 1.325 20 0 JDADHN COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)C[C@@H]2C)N(C)C)c1 ZINC001504326374 1071061310 /nfs/dbraw/zinc/06/13/10/1071061310.db2.gz XBJBUTSRBRLPBM-SNRMKQJTSA-N 0 3 455.563 1.208 20 0 JDADHN COc1cccc(-c2nnc(N3CCC(N4CCN(C(C)C)CC4)CC3)n2CCS(C)(=O)=O)c1 ZINC001504339319 1071068470 /nfs/dbraw/zinc/06/84/70/1071068470.db2.gz UEEGTCWPULTNFT-UHFFFAOYSA-N 0 3 490.674 1.993 20 0 JDADHN CCOCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCN1CCOC(C)(C)C1 ZINC001503114950 1071075085 /nfs/dbraw/zinc/07/50/85/1071075085.db2.gz BUEJREKXKGIZKU-UHFFFAOYSA-N 0 3 450.628 1.474 20 0 JDADHN CCOCc1nnc(N2CCN(Cc3csc(C)n3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503113469 1071072964 /nfs/dbraw/zinc/07/29/64/1071072964.db2.gz PCLAUCXEBLRRDD-UHFFFAOYSA-N 0 3 476.695 1.928 20 0 JDADHN CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001503114926 1071075387 /nfs/dbraw/zinc/07/53/87/1071075387.db2.gz BCVNCMUGZXULLU-SFHVURJKSA-N 0 3 480.610 1.267 20 0 JDADHN CCOCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001503114925 1071075547 /nfs/dbraw/zinc/07/55/47/1071075547.db2.gz BCVNCMUGZXULLU-GOSISDBHSA-N 0 3 480.610 1.267 20 0 JDADHN CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001503124568 1071090688 /nfs/dbraw/zinc/09/06/88/1071090688.db2.gz NWXKRWWYGNEMKE-DHIUTWEWSA-N 0 3 470.618 1.993 20 0 JDADHN CCOC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001503141845 1071098237 /nfs/dbraw/zinc/09/82/37/1071098237.db2.gz ODNNEOOUJNXZTA-UXHICEINSA-N 0 3 482.695 1.459 20 0 JDADHN COc1ccccc1[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)OC)N1CCCC1 ZINC001504367775 1071100854 /nfs/dbraw/zinc/10/08/54/1071100854.db2.gz CSYKIZZMIMBWQF-RDJZCZTQSA-N 0 3 452.581 1.732 20 0 JDADHN COc1ccccc1[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC1)N1CCCC1 ZINC001504370196 1071104001 /nfs/dbraw/zinc/10/40/01/1071104001.db2.gz PMVNJLLTTVKTJF-MJGOQNOKSA-N 0 3 478.619 1.571 20 0 JDADHN COc1ccccc1[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC1)N1CCCC1 ZINC001504370182 1071104284 /nfs/dbraw/zinc/10/42/84/1071104284.db2.gz PMVNJLLTTVKTJF-HKUYNNGSSA-N 0 3 478.619 1.571 20 0 JDADHN CCOC[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001503159178 1071111806 /nfs/dbraw/zinc/11/18/06/1071111806.db2.gz JVCVJWCBMANADY-HKBOAZHASA-N 0 3 464.655 1.891 20 0 JDADHN COc1ccccc1-c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001504386905 1071119900 /nfs/dbraw/zinc/11/99/00/1071119900.db2.gz DSLWZEVAQOHRGQ-INIZCTEOSA-N 0 3 482.507 1.791 20 0 JDADHN COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001504390134 1071124778 /nfs/dbraw/zinc/12/47/78/1071124778.db2.gz MDZFBTPUMJGZJJ-UHFFFAOYSA-N 0 3 477.631 1.671 20 0 JDADHN CCOCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCOCC1 ZINC001503187069 1071134655 /nfs/dbraw/zinc/13/46/55/1071134655.db2.gz LDENOAZAHJEKLS-UHFFFAOYSA-N 0 3 465.620 1.932 20 0 JDADHN COc1ccccc1Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCS(=O)(=O)N(C)C ZINC001504409265 1071151887 /nfs/dbraw/zinc/15/18/87/1071151887.db2.gz DHLNVDRKNJBLMX-UHFFFAOYSA-N 0 3 492.646 1.070 20 0 JDADHN CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503212755 1071159854 /nfs/dbraw/zinc/15/98/54/1071159854.db2.gz RPWSWFPRPZOMDQ-KRWDZBQOSA-N 0 3 475.619 1.049 20 0 JDADHN CCOCCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCN2CC)CC1 ZINC001503216689 1071166209 /nfs/dbraw/zinc/16/62/09/1071166209.db2.gz PIWVCIODEVPLJC-FQEVSTJZSA-N 0 3 470.622 1.958 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC(C)(C)C2)C[C@H]1CC ZINC001503220567 1071174605 /nfs/dbraw/zinc/17/46/05/1071174605.db2.gz LWWHPMSKDCQVOY-OAQYLSRUSA-N 0 3 474.654 1.727 20 0 JDADHN COc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001504425684 1071184039 /nfs/dbraw/zinc/18/40/39/1071184039.db2.gz TZITVHQOCMISHC-SFHVURJKSA-N 0 3 492.646 1.494 20 0 JDADHN CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C2CCCCC2)CC1 ZINC001503232421 1071206074 /nfs/dbraw/zinc/20/60/74/1071206074.db2.gz ANUDEWFBYKPBIU-LJQANCHMSA-N 0 3 466.652 1.897 20 0 JDADHN CCS(=O)(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)N2CCCC2)CC1 ZINC001503236051 1071219543 /nfs/dbraw/zinc/21/95/43/1071219543.db2.gz PDFVWPKCRBGXHF-FQEVSTJZSA-N 0 3 480.679 1.924 20 0 JDADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001503236116 1071220196 /nfs/dbraw/zinc/22/01/96/1071220196.db2.gz LWHAGPGEMTYBCB-ZWKOTPCHSA-N 0 3 456.657 1.796 20 0 JDADHN COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001504456949 1071232021 /nfs/dbraw/zinc/23/20/21/1071232021.db2.gz MMOVKMJYBUGHOD-MRXNPFEDSA-N 0 3 451.597 1.118 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)C)C1 ZINC001503243416 1071236301 /nfs/dbraw/zinc/23/63/01/1071236301.db2.gz HCFJXABJYLPPEF-SFHVURJKSA-N 0 3 477.635 1.917 20 0 JDADHN CO[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001504481905 1071257669 /nfs/dbraw/zinc/25/76/69/1071257669.db2.gz ZJTROYPVYAVDPD-OTPAQWSUSA-N 0 3 492.665 1.877 20 0 JDADHN CO[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001504485789 1071259715 /nfs/dbraw/zinc/25/97/15/1071259715.db2.gz NHJSBUDQGHMKDS-LEWJYISDSA-N 0 3 455.607 1.822 20 0 JDADHN CO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001504485794 1071259823 /nfs/dbraw/zinc/25/98/23/1071259823.db2.gz NHJSBUDQGHMKDS-RTWAWAEBSA-N 0 3 455.607 1.822 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(N3CCCC3=O)CC2)CC1 ZINC001504491143 1071266599 /nfs/dbraw/zinc/26/65/99/1071266599.db2.gz 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CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001503361891 1071578948 /nfs/dbraw/zinc/57/89/48/1071578948.db2.gz ZJPHRINYAPOYFH-RBUKOAKNSA-N 0 3 461.655 1.901 20 0 JDADHN CN(C)C(=O)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503363483 1071585340 /nfs/dbraw/zinc/58/53/40/1071585340.db2.gz JFSCHTOEVPAZGI-IBGZPJMESA-N 0 3 461.611 1.133 20 0 JDADHN COC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001504723530 1071589562 /nfs/dbraw/zinc/58/95/62/1071589562.db2.gz DMFYXMABCGOGBG-VQTJNVASSA-N 0 3 457.623 1.915 20 0 JDADHN CN(C)C(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503367373 1071594941 /nfs/dbraw/zinc/59/49/41/1071594941.db2.gz MNZNOHBOEQUEDD-UHFFFAOYSA-N 0 3 460.554 1.776 20 0 JDADHN CN(C)C(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503368106 1071596927 /nfs/dbraw/zinc/59/69/27/1071596927.db2.gz TUHBXUAVOWGPDS-OAQYLSRUSA-N 0 3 467.618 1.284 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001504729310 1071598285 /nfs/dbraw/zinc/59/82/85/1071598285.db2.gz OABBNHDNFAJBGC-AABGKKOBSA-N 0 3 450.628 1.438 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)C[C@@H](C)O1 ZINC001504729456 1071598624 /nfs/dbraw/zinc/59/86/24/1071598624.db2.gz OHPZRAPQQIBGOE-WTGUMLROSA-N 0 3 469.652 1.542 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)C[C@@H](C)O1 ZINC001504729450 1071598798 /nfs/dbraw/zinc/59/87/98/1071598798.db2.gz OHPZRAPQQIBGOE-NMLBUPMWSA-N 0 3 469.652 1.542 20 0 JDADHN CN(C)C(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001503369344 1071599633 /nfs/dbraw/zinc/59/96/33/1071599633.db2.gz WWOXPHNIUVFFNG-IBGZPJMESA-N 0 3 458.611 1.448 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)C[C@@H](C)O1 ZINC001504730130 1071599884 /nfs/dbraw/zinc/59/98/84/1071599884.db2.gz PVAXMKRZCUTCDB-PBASOCQRSA-N 0 3 483.679 1.931 20 0 JDADHN CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503371695 1071605360 /nfs/dbraw/zinc/60/53/60/1071605360.db2.gz KFDLWNQCKATNCS-GOSISDBHSA-N 0 3 459.982 1.430 20 0 JDADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504738317 1071615662 /nfs/dbraw/zinc/61/56/62/1071615662.db2.gz DPKHPRQMEGXTGF-TUFLPTIASA-N 0 3 480.654 1.268 20 0 JDADHN CN(C)C(=O)CN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001503376444 1071620727 /nfs/dbraw/zinc/62/07/27/1071620727.db2.gz LLJCZGQBLWOXFG-HSZRJFAPSA-N 0 3 494.619 1.916 20 0 JDADHN CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccc(F)cc1 ZINC001503379657 1071635044 /nfs/dbraw/zinc/63/50/44/1071635044.db2.gz CAISTYREYLGJOR-WZONZLPQSA-N 0 3 457.554 1.544 20 0 JDADHN CN(C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1)c1cccs1 ZINC001503380148 1071635562 /nfs/dbraw/zinc/63/55/62/1071635562.db2.gz GQZTXTBXKFBNHM-JKSUJKDBSA-N 0 3 454.622 1.574 20 0 JDADHN CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CCCCC1 ZINC001503380927 1071636154 /nfs/dbraw/zinc/63/61/54/1071636154.db2.gz JBEPZQOLTHPCTP-YSIASYRMSA-N 0 3 480.679 1.783 20 0 JDADHN CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CCCCC1 ZINC001503380930 1071636230 /nfs/dbraw/zinc/63/62/30/1071636230.db2.gz JBEPZQOLTHPCTP-YZGWKJHDSA-N 0 3 480.679 1.783 20 0 JDADHN CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CCCCC1 ZINC001503380925 1071636297 /nfs/dbraw/zinc/63/62/97/1071636297.db2.gz JBEPZQOLTHPCTP-MISYRCLQSA-N 0 3 480.679 1.783 20 0 JDADHN CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(F)F)CC2)CCSC1 ZINC001503386856 1071645000 /nfs/dbraw/zinc/64/50/00/1071645000.db2.gz MNWMCSDNUPHTIS-OAQYLSRUSA-N 0 3 480.589 1.750 20 0 JDADHN CN(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 ZINC001503388770 1071647440 /nfs/dbraw/zinc/64/74/40/1071647440.db2.gz QSKBBJPVKUHUJM-CTNGQTDRSA-N 0 3 476.647 1.945 20 0 JDADHN COCC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504758848 1071650567 /nfs/dbraw/zinc/65/05/67/1071650567.db2.gz WMNXBAIVGYFAQI-HSZRJFAPSA-N 0 3 450.628 1.399 20 0 JDADHN COCC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504758850 1071650606 /nfs/dbraw/zinc/65/06/06/1071650606.db2.gz WMNXBAIVGYFAQI-QHCPKHFHSA-N 0 3 450.628 1.399 20 0 JDADHN CN(C)CC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001503397757 1071656789 /nfs/dbraw/zinc/65/67/89/1071656789.db2.gz GDHMMBOPXIXBOB-IBGZPJMESA-N 0 3 490.678 1.663 20 0 JDADHN COCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504763009 1071660339 /nfs/dbraw/zinc/66/03/39/1071660339.db2.gz WXUXEVUDGGJCOD-LEDOBFOHSA-N 0 3 467.611 1.091 20 0 JDADHN CN(C)CC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001503400030 1071660555 /nfs/dbraw/zinc/66/05/55/1071660555.db2.gz ZEHZRQLFFIZTOJ-GOSISDBHSA-N 0 3 459.620 1.728 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001503400885 1071662897 /nfs/dbraw/zinc/66/28/97/1071662897.db2.gz XAAAOMGVGVWKJN-QGZVFWFLSA-N 0 3 457.641 1.603 20 0 JDADHN CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001503404665 1071672213 /nfs/dbraw/zinc/67/22/13/1071672213.db2.gz BNIXEJIGPYWLIV-UHFFFAOYSA-N 0 3 489.646 1.118 20 0 JDADHN COCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001504799540 1071678315 /nfs/dbraw/zinc/67/83/15/1071678315.db2.gz BNLXATGANXULHT-PMACEKPBSA-N 0 3 468.668 1.212 20 0 JDADHN COCCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504807848 1071681877 /nfs/dbraw/zinc/68/18/77/1071681877.db2.gz GOAIOCZWRKTVOA-UHFFFAOYSA-N 0 3 478.663 1.847 20 0 JDADHN COCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001504815427 1071688179 /nfs/dbraw/zinc/68/81/79/1071688179.db2.gz UEOHITNDBZGXCJ-UHFFFAOYSA-N 0 3 479.585 1.976 20 0 JDADHN COCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001504815427 1071688186 /nfs/dbraw/zinc/68/81/86/1071688186.db2.gz UEOHITNDBZGXCJ-UHFFFAOYSA-N 0 3 479.585 1.976 20 0 JDADHN COCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504828324 1071711681 /nfs/dbraw/zinc/71/16/81/1071711681.db2.gz WKFNRTVITMNORW-DENIHFKCSA-N 0 3 455.607 1.679 20 0 JDADHN CN(c1nnc([C@H]2CCCOC2)n1CCCS(C)(=O)=O)C1CCN(CCn2cccn2)CC1 ZINC001503428595 1071720243 /nfs/dbraw/zinc/72/02/43/1071720243.db2.gz UGRFUXFVSXLQGH-IBGZPJMESA-N 0 3 479.651 1.404 20 0 JDADHN CN(c1nnc([C@@H]2CCCCO2)n1CCCS(C)(=O)=O)C1CCN(CCn2cccn2)CC1 ZINC001503430152 1071721804 /nfs/dbraw/zinc/72/18/04/1071721804.db2.gz QAHHYBGHPAMKGS-FQEVSTJZSA-N 0 3 479.651 1.752 20 0 JDADHN CN(c1nnc(CC2CCCC2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001503430851 1071723959 /nfs/dbraw/zinc/72/39/59/1071723959.db2.gz CGPPWTKJJBTHLY-IBGZPJMESA-N 0 3 452.669 1.660 20 0 JDADHN COCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CC=CCC2)CC1 ZINC001504833945 1071728772 /nfs/dbraw/zinc/72/87/72/1071728772.db2.gz RNFWOPJTYFKESI-UHFFFAOYSA-N 0 3 454.579 1.366 20 0 JDADHN COCCCn1c(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504833954 1071728883 /nfs/dbraw/zinc/72/88/83/1071728883.db2.gz OJYSZKMVERCVKM-UWDQQESISA-N 0 3 492.665 1.734 20 0 JDADHN COCCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504833953 1071728948 /nfs/dbraw/zinc/72/89/48/1071728948.db2.gz OJYSZKMVERCVKM-NIRIFSCTSA-N 0 3 492.665 1.734 20 0 JDADHN COCCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001504835288 1071733540 /nfs/dbraw/zinc/73/35/40/1071733540.db2.gz URCFYZBLTDTMPL-OAQYLSRUSA-N 0 3 491.681 1.177 20 0 JDADHN COCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 ZINC001504846211 1071741751 /nfs/dbraw/zinc/74/17/51/1071741751.db2.gz FCFZGIULIZSRMA-NHCUHLMSSA-N 0 3 461.632 1.827 20 0 JDADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001504854048 1071761064 /nfs/dbraw/zinc/76/10/64/1071761064.db2.gz HPFKZCKPQORVNT-CQSZACIVSA-N 0 3 472.562 1.307 20 0 JDADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001504854044 1071761441 /nfs/dbraw/zinc/76/14/41/1071761441.db2.gz HPFKZCKPQORVNT-AWEZNQCLSA-N 0 3 472.562 1.307 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001504856982 1071773516 /nfs/dbraw/zinc/77/35/16/1071773516.db2.gz FMXMHXJLIJSTKI-NRFANRHFSA-N 0 3 488.608 1.781 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)o1 ZINC001504857065 1071773564 /nfs/dbraw/zinc/77/35/64/1071773564.db2.gz JFOOCOYMKUAYPR-CQSZACIVSA-N 0 3 455.357 1.799 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001504856539 1071771349 /nfs/dbraw/zinc/77/13/49/1071771349.db2.gz AQQUNCRGBZXLCH-IBGZPJMESA-N 0 3 473.578 1.108 20 0 JDADHN COCCN(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 ZINC001504856914 1071771844 /nfs/dbraw/zinc/77/18/44/1071771844.db2.gz CZAMSILZSAOVFE-NRFANRHFSA-N 0 3 458.563 1.427 20 0 JDADHN COCCN(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 ZINC001504857214 1071774958 /nfs/dbraw/zinc/77/49/58/1071774958.db2.gz IRIXQEYXKFZVSD-SFHVURJKSA-N 0 3 482.626 1.780 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001504857224 1071775393 /nfs/dbraw/zinc/77/53/93/1071775393.db2.gz KXCLCWGMOBJWOH-RBUKOAKNSA-N 0 3 493.653 1.638 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001504857921 1071780048 /nfs/dbraw/zinc/78/00/48/1071780048.db2.gz TYOGPKYFKGGKGO-DNVCBOLYSA-N 0 3 462.517 1.337 20 0 JDADHN COCCN(C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001504857513 1071776137 /nfs/dbraw/zinc/77/61/37/1071776137.db2.gz MLULELCPEQMRPN-KDURUIRLSA-N 0 3 458.611 1.644 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001504857566 1071777280 /nfs/dbraw/zinc/77/72/80/1071777280.db2.gz PNCLQRIGNVASND-RBUKOAKNSA-N 0 3 493.653 1.891 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001504857562 1071777819 /nfs/dbraw/zinc/77/78/19/1071777819.db2.gz PNCLQRIGNVASND-MOPGFXCFSA-N 0 3 493.653 1.891 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001504858023 1071779889 /nfs/dbraw/zinc/77/98/89/1071779889.db2.gz VQWQCKNUSIOMDI-UXHICEINSA-N 0 3 463.627 1.680 20 0 JDADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(C1)CCCCC2 ZINC001504857804 1071778707 /nfs/dbraw/zinc/77/87/07/1071778707.db2.gz POYUHYGGPOOYRF-LJQANCHMSA-N 0 3 484.667 1.350 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)o1 ZINC001504857064 1071773931 /nfs/dbraw/zinc/77/39/31/1071773931.db2.gz JFOOCOYMKUAYPR-AWEZNQCLSA-N 0 3 455.357 1.799 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001504858022 1071780545 /nfs/dbraw/zinc/78/05/45/1071780545.db2.gz VQWQCKNUSIOMDI-PMACEKPBSA-N 0 3 463.627 1.680 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001504857902 1071780941 /nfs/dbraw/zinc/78/09/41/1071780941.db2.gz RNUGRSMCCXYRRX-MSOLQXFVSA-N 0 3 472.656 1.062 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001504858167 1071781617 /nfs/dbraw/zinc/78/16/17/1071781617.db2.gz WFOGSNJHBGKNGY-MOPGFXCFSA-N 0 3 450.628 1.881 20 0 JDADHN COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001504859086 1071785407 /nfs/dbraw/zinc/78/54/07/1071785407.db2.gz SCBFMBYYIYVTFA-NZQKXSOJSA-N 0 3 461.611 1.492 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001504858080 1071781783 /nfs/dbraw/zinc/78/17/83/1071781783.db2.gz UEXUELLXVGJAHA-QYZOEREBSA-N 0 3 472.656 1.204 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001504858126 1071781901 /nfs/dbraw/zinc/78/19/01/1071781901.db2.gz VPLIGKSTERNZQH-IBGZPJMESA-N 0 3 459.526 1.856 20 0 JDADHN COCCN(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001504858015 1071782182 /nfs/dbraw/zinc/78/21/82/1071782182.db2.gz TXMUHOUXAFPKFO-UHFFFAOYSA-N 0 3 473.597 1.924 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001504858625 1071782796 /nfs/dbraw/zinc/78/27/96/1071782796.db2.gz DREGXMZUPRPTSI-UHFFFAOYSA-N 0 3 454.554 1.703 20 0 JDADHN COCCN(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCNC(=O)CC1 ZINC001504858541 1071783164 /nfs/dbraw/zinc/78/31/64/1071783164.db2.gz YZVRHDCBUZNEGU-UHFFFAOYSA-N 0 3 482.589 1.140 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001504858393 1071783400 /nfs/dbraw/zinc/78/34/00/1071783400.db2.gz YAEHDJBEONQPCF-OAHLLOKOSA-N 0 3 457.501 1.986 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001504858263 1071783512 /nfs/dbraw/zinc/78/35/12/1071783512.db2.gz XIZLERUKTXBNBL-HXUWFJFHSA-N 0 3 471.606 1.919 20 0 JDADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001504858367 1071783690 /nfs/dbraw/zinc/78/36/90/1071783690.db2.gz AWPWQRAKNRFCIP-UHFFFAOYSA-N 0 3 483.617 1.331 20 0 JDADHN COCCN(C)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001504858888 1071784447 /nfs/dbraw/zinc/78/44/47/1071784447.db2.gz MTDFUKIAVITYND-UHFFFAOYSA-N 0 3 458.611 1.472 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001504858921 1071784622 /nfs/dbraw/zinc/78/46/22/1071784622.db2.gz NMECIQWFGZPHPT-YADARESESA-N 0 3 459.591 1.840 20 0 JDADHN COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001504859088 1071785875 /nfs/dbraw/zinc/78/58/75/1071785875.db2.gz SCBFMBYYIYVTFA-REWPJTCUSA-N 0 3 461.611 1.492 20 0 JDADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001504858922 1071784820 /nfs/dbraw/zinc/78/48/20/1071784820.db2.gz NOMWKWOCHLPTHX-HNNXBMFYSA-N 0 3 476.525 1.615 20 0 JDADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001504858768 1071784961 /nfs/dbraw/zinc/78/49/61/1071784961.db2.gz INTDMYHATQXZHN-SFHVURJKSA-N 0 3 476.647 1.979 20 0 JDADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(C)n2CCN2CCc3ccccc3C2)C1 ZINC001504859708 1071790030 /nfs/dbraw/zinc/79/00/30/1071790030.db2.gz DORQCKIUHDAAHF-JOCHJYFZSA-N 0 3 476.647 1.522 20 0 JDADHN COCCN(C)CCn1c(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001504859958 1071790995 /nfs/dbraw/zinc/79/09/95/1071790995.db2.gz BAVUFGFRUZHDII-RTWAWAEBSA-N 0 3 477.698 1.971 20 0 JDADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001504859125 1071786364 /nfs/dbraw/zinc/78/63/64/1071786364.db2.gz TVFFYMLWBYRAMG-KRWDZBQOSA-N 0 3 465.599 1.082 20 0 JDADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504859212 1071787480 /nfs/dbraw/zinc/78/74/80/1071787480.db2.gz WLYQDZWPZKYCDE-UGKGYDQZSA-N 0 3 489.690 1.497 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001504860203 1071791569 /nfs/dbraw/zinc/79/15/69/1071791569.db2.gz CQAFNEJOHSNKJW-CYFREDJKSA-N 0 3 494.637 1.924 20 0 JDADHN COCCN(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001504859970 1071791712 /nfs/dbraw/zinc/79/17/12/1071791712.db2.gz BEUWWSOIVGPUCV-OALUTQOASA-N 0 3 481.642 1.210 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001504860556 1071795029 /nfs/dbraw/zinc/79/50/29/1071795029.db2.gz IBTXHMZHGKJJAK-BRSBDYLESA-N 0 3 451.568 1.889 20 0 JDADHN COCCN(C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001504862935 1071802543 /nfs/dbraw/zinc/80/25/43/1071802543.db2.gz WYUOSVVZUQNULM-CTNGQTDRSA-N 0 3 472.590 1.987 20 0 JDADHN COCCN(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001504861472 1071799359 /nfs/dbraw/zinc/79/93/59/1071799359.db2.gz OEFZETLDHHBXFQ-KRWDZBQOSA-N 0 3 464.954 1.730 20 0 JDADHN CN(Cc1cccc(C(N)=O)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001503481089 1071800752 /nfs/dbraw/zinc/80/07/52/1071800752.db2.gz PXJRGXDMTPLWNE-IBGZPJMESA-N 0 3 474.631 1.790 20 0 JDADHN COCCN(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001504861994 1071801188 /nfs/dbraw/zinc/80/11/88/1071801188.db2.gz SHRBDLVGDFLJQL-NXMSCROESA-N 0 3 491.637 1.343 20 0 JDADHN COCCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CC[C@@H](C)C1 ZINC001504870640 1071804784 /nfs/dbraw/zinc/80/47/84/1071804784.db2.gz NBVDTHRMFOJBRR-AQNXPRMDSA-N 0 3 461.655 1.897 20 0 JDADHN COCCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CC[C@H](C)C1 ZINC001504870641 1071804885 /nfs/dbraw/zinc/80/48/85/1071804885.db2.gz NBVDTHRMFOJBRR-UFYCRDLUSA-N 0 3 461.655 1.897 20 0 JDADHN CN(CC1COC(C)(C)OC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CCCO ZINC001503565346 1071854970 /nfs/dbraw/zinc/85/49/70/1071854970.db2.gz PQOHVDYGXZWIIS-IBGZPJMESA-N 0 3 487.605 1.608 20 0 JDADHN CN(CC1COC(C)(C)OC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CCCO ZINC001503565348 1071855054 /nfs/dbraw/zinc/85/50/54/1071855054.db2.gz PQOHVDYGXZWIIS-LJQANCHMSA-N 0 3 487.605 1.608 20 0 JDADHN CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001503594713 1071870673 /nfs/dbraw/zinc/87/06/73/1071870673.db2.gz HUCMNQRGAWTTFB-RBUKOAKNSA-N 0 3 491.637 1.645 20 0 JDADHN COCCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001504910889 1071865734 /nfs/dbraw/zinc/86/57/34/1071865734.db2.gz NRBZTPVHMWXLSH-INIZCTEOSA-N 0 3 470.578 1.788 20 0 JDADHN COCCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001504910889 1071865737 /nfs/dbraw/zinc/86/57/37/1071865737.db2.gz NRBZTPVHMWXLSH-INIZCTEOSA-N 0 3 470.578 1.788 20 0 JDADHN CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001503604039 1071884763 /nfs/dbraw/zinc/88/47/63/1071884763.db2.gz QIXXFCUCBSCCIX-VXKWHMMOSA-N 0 3 491.658 1.944 20 0 JDADHN COCCN1CCN(c2nnc(-c3ccccn3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504915880 1071878568 /nfs/dbraw/zinc/87/85/68/1071878568.db2.gz OWHCICMGIWXRGY-PCCBWWKXSA-N 0 3 457.623 1.996 20 0 JDADHN COCCN1CCN(c2nnc(-c3ccccn3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504915875 1071878641 /nfs/dbraw/zinc/87/86/41/1071878641.db2.gz OWHCICMGIWXRGY-ACRUOGEOSA-N 0 3 457.623 1.996 20 0 JDADHN CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCOC2)n1CC1(N2CCCC2)CCOCC1 ZINC001503604399 1071885705 /nfs/dbraw/zinc/88/57/05/1071885705.db2.gz VVEJGJTXONEOKP-GOSISDBHSA-N 0 3 455.625 1.298 20 0 JDADHN CN(CCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)CC(F)(F)F ZINC001503605435 1071887943 /nfs/dbraw/zinc/88/79/43/1071887943.db2.gz IVKHGBLXVMNQPS-KRWDZBQOSA-N 0 3 453.513 1.993 20 0 JDADHN CN(CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)CC(F)(F)F ZINC001503608903 1071892137 /nfs/dbraw/zinc/89/21/37/1071892137.db2.gz FNIVSXQJXJMAAM-KRWDZBQOSA-N 0 3 468.528 1.510 20 0 JDADHN COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504920236 1071892192 /nfs/dbraw/zinc/89/21/92/1071892192.db2.gz PKBCRCHEMXHBMX-BDTNDASRSA-N 0 3 464.655 1.686 20 0 JDADHN COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504920240 1071892318 /nfs/dbraw/zinc/89/23/18/1071892318.db2.gz PKBCRCHEMXHBMX-BHDDXSALSA-N 0 3 464.655 1.686 20 0 JDADHN CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)Cc1ccccc1 ZINC001503610498 1071894310 /nfs/dbraw/zinc/89/43/10/1071894310.db2.gz GHBZOSMHBHWKBY-FQEVSTJZSA-N 0 3 462.620 1.589 20 0 JDADHN CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1)C1CCCC1 ZINC001503610510 1071894520 /nfs/dbraw/zinc/89/45/20/1071894520.db2.gz GLICOOBQCUGSIR-GOSISDBHSA-N 0 3 452.669 1.975 20 0 JDADHN CN(CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)OC(C)(C)C ZINC001503613928 1071899782 /nfs/dbraw/zinc/89/97/82/1071899782.db2.gz ZVKNNAUHALEKBM-IBGZPJMESA-N 0 3 499.620 1.345 20 0 JDADHN CN(CCOCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503635072 1071946481 /nfs/dbraw/zinc/94/64/81/1071946481.db2.gz IWHJWVKXILEPIJ-OAQYLSRUSA-N 0 3 469.634 1.908 20 0 JDADHN COCCO[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H]1OCC[C@H]1C ZINC001504942520 1071985702 /nfs/dbraw/zinc/98/57/02/1071985702.db2.gz DMTXXBNLUGICMI-NJRJFZHGSA-N 0 3 492.665 1.806 20 0 JDADHN COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)O ZINC001504942951 1071986131 /nfs/dbraw/zinc/98/61/31/1071986131.db2.gz FSEJMPLUKDMHRR-GGPKGHCWSA-N 0 3 466.627 1.152 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1cnn(C)c1 ZINC001504960753 1072005747 /nfs/dbraw/zinc/00/57/47/1072005747.db2.gz ATQFEDMPMZPLAV-CTNGQTDRSA-N 0 3 460.627 1.389 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1cnn(C)c1 ZINC001504960754 1072005771 /nfs/dbraw/zinc/00/57/71/1072005771.db2.gz ATQFEDMPMZPLAV-FPOVZHCZSA-N 0 3 460.627 1.389 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC1(O)CCOCC1 ZINC001504967032 1072014304 /nfs/dbraw/zinc/01/43/04/1072014304.db2.gz WAYOSTHFFBDMGC-LJQANCHMSA-N 0 3 467.611 1.092 20 0 JDADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC3CCCC3)n2CCCCCS(C)(=O)=O)CC1 ZINC001503681510 1072013105 /nfs/dbraw/zinc/01/31/05/1072013105.db2.gz NXQFWEPGWXKFSE-OAQYLSRUSA-N 0 3 494.706 1.969 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504968276 1072016446 /nfs/dbraw/zinc/01/64/46/1072016446.db2.gz RMAMFCNFWJGHFT-SFHVURJKSA-N 0 3 465.643 1.133 20 0 JDADHN CN1CCN(CCn2c(-c3cnccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1(C)C ZINC001503685837 1072018054 /nfs/dbraw/zinc/01/80/54/1072018054.db2.gz XVVRJGKKXPLRMK-GOSISDBHSA-N 0 3 476.651 1.165 20 0 JDADHN CN1CCN(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)CC1(C)C ZINC001503686401 1072019385 /nfs/dbraw/zinc/01/93/85/1072019385.db2.gz QLGKOLHDNMAKBS-UHFFFAOYSA-N 0 3 461.998 1.473 20 0 JDADHN CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503691873 1072028970 /nfs/dbraw/zinc/02/89/70/1072028970.db2.gz GSRPJNWWVNOVAU-INIZCTEOSA-N 0 3 461.998 1.924 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504979123 1072029037 /nfs/dbraw/zinc/02/90/37/1072029037.db2.gz KJSKRIBXZUWADG-AZUAARDMSA-N 0 3 465.643 1.133 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H]1OCCC1(C)C ZINC001504987558 1072040062 /nfs/dbraw/zinc/04/00/62/1072040062.db2.gz BMZCZOCIMRKQQV-VAMGGRTRSA-N 0 3 478.638 1.560 20 0 JDADHN CNC(=O)C(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503702451 1072043602 /nfs/dbraw/zinc/04/36/02/1072043602.db2.gz STQCWIOWTNXVTF-LJQANCHMSA-N 0 3 459.639 1.526 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cccc(OC)c1 ZINC001504989307 1072045368 /nfs/dbraw/zinc/04/53/68/1072045368.db2.gz JICQLQUCNXPMDX-SIKLNZKXSA-N 0 3 486.617 1.802 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001504989401 1072046099 /nfs/dbraw/zinc/04/60/99/1072046099.db2.gz KNBFGLIHQVBQQX-NJYVYQBISA-N 0 3 478.638 1.419 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001504992194 1072056434 /nfs/dbraw/zinc/05/64/34/1072056434.db2.gz YCBSMFYWWZGIEM-WOZUAGRISA-N 0 3 478.638 1.560 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@H]1COCCO1 ZINC001504993023 1072058722 /nfs/dbraw/zinc/05/87/22/1072058722.db2.gz CEWDLICXCFRHDO-ICSRJNTNSA-N 0 3 453.584 1.109 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@@H]1COCCO1 ZINC001504993025 1072058883 /nfs/dbraw/zinc/05/88/83/1072058883.db2.gz CEWDLICXCFRHDO-UYAOXDASSA-N 0 3 453.584 1.109 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@]1(C)COCCO1 ZINC001504996228 1072067515 /nfs/dbraw/zinc/06/75/15/1072067515.db2.gz VIGIZSDOSITOGM-YYDVJCTNSA-N 0 3 467.611 1.497 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@]1(O)CCSC1 ZINC001504996222 1072067537 /nfs/dbraw/zinc/06/75/37/1072067537.db2.gz RIRFUPAWQNPLIX-PGRDOPGGSA-N 0 3 469.652 1.419 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@]1(O)CCSC1 ZINC001504996225 1072067566 /nfs/dbraw/zinc/06/75/66/1072067566.db2.gz RIRFUPAWQNPLIX-XMSQKQJNSA-N 0 3 469.652 1.419 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@]1(C)COCCO1 ZINC001504996220 1072067626 /nfs/dbraw/zinc/06/76/26/1072067626.db2.gz VIGIZSDOSITOGM-SFYKDHMMSA-N 0 3 467.611 1.497 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1cc(C)nn1C ZINC001504997149 1072070182 /nfs/dbraw/zinc/07/01/82/1072070182.db2.gz WZVNEYYLQRNILI-IBGZPJMESA-N 0 3 461.611 1.641 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@H](c1ccsc1)N(C)C ZINC001505001301 1072080198 /nfs/dbraw/zinc/08/01/98/1072080198.db2.gz WLSYRIQDFGMYNO-MISYRCLQSA-N 0 3 464.636 1.887 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@H](c1ccsc1)N(C)C ZINC001505001297 1072080288 /nfs/dbraw/zinc/08/02/88/1072080288.db2.gz WLSYRIQDFGMYNO-HOJAQTOUSA-N 0 3 464.636 1.887 20 0 JDADHN COCCOC1(Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(C)C)CC2)CCOCC1 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ZINC001468360092 1068254658 /nfs/dbraw/zinc/25/46/58/1068254658.db2.gz RDVIBGHQLCAQAE-KSSFIOAISA-N 0 3 453.634 1.845 20 0 JDADHN Cc1ccc([C@@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)N2CCCC2)cc1 ZINC001468388177 1068264616 /nfs/dbraw/zinc/26/46/16/1068264616.db2.gz QYCIPPKPDDNIML-LEWJYISDSA-N 0 3 452.621 1.920 20 0 JDADHN Cc1ccc([C@H](CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)N2CCCC2)cc1 ZINC001468388179 1068265127 /nfs/dbraw/zinc/26/51/27/1068265127.db2.gz QYCIPPKPDDNIML-RTWAWAEBSA-N 0 3 452.621 1.920 20 0 JDADHN Cc1ccc([C@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)N2CCCC2)cc1 ZINC001468388180 1068266105 /nfs/dbraw/zinc/26/61/05/1068266105.db2.gz QYCIPPKPDDNIML-SFTDATJTSA-N 0 3 452.621 1.920 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC001468453927 1068283188 /nfs/dbraw/zinc/28/31/88/1068283188.db2.gz UUEVBKYJXUBCAU-SJORKVTESA-N 0 3 459.360 1.864 20 0 JDADHN CC(C)Cc1ccc([C@@H](CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)N(C)C)cc1 ZINC001468485054 1068291720 /nfs/dbraw/zinc/29/17/20/1068291720.db2.gz AIQRBWRBQBCNIU-OAQYLSRUSA-N 0 3 453.653 1.364 20 0 JDADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC001468544273 1068309161 /nfs/dbraw/zinc/30/91/61/1068309161.db2.gz NKVAEPUECDRPKG-PZJWPPBQSA-N 0 3 451.575 1.335 20 0 JDADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC001468562130 1068314379 /nfs/dbraw/zinc/31/43/79/1068314379.db2.gz NOIOHEISNCMOFQ-QFIPXVFZSA-N 0 3 453.605 1.754 20 0 JDADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC001468657244 1068336475 /nfs/dbraw/zinc/33/64/75/1068336475.db2.gz POEPUQDHGPBBBB-NYSBEXSLSA-N 0 3 456.568 1.595 20 0 JDADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)CC1=O ZINC001468667761 1068341201 /nfs/dbraw/zinc/34/12/01/1068341201.db2.gz BEZGVFDIKPQLIG-PMACEKPBSA-N 0 3 454.575 1.111 20 0 JDADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)CC1=O ZINC001468667747 1068341310 /nfs/dbraw/zinc/34/13/10/1068341310.db2.gz 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ZINC001469229894 1068470417 /nfs/dbraw/zinc/47/04/17/1068470417.db2.gz CUBPMYKTEZVXFN-XMMPIXPASA-N 0 3 457.575 1.868 20 0 JDADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001469341800 1068497605 /nfs/dbraw/zinc/49/76/05/1068497605.db2.gz HOYFRMZMQZOXJX-PBHICJAKSA-N 0 3 451.365 1.632 20 0 JDADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001469341801 1068497923 /nfs/dbraw/zinc/49/79/23/1068497923.db2.gz HOYFRMZMQZOXJX-RHSMWYFYSA-N 0 3 451.365 1.632 20 0 JDADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)CC2)c1 ZINC001469355337 1068502800 /nfs/dbraw/zinc/50/28/00/1068502800.db2.gz STXHQICZELHNMW-HIFRSBDPSA-N 0 3 456.590 1.176 20 0 JDADHN CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001469509591 1068534990 /nfs/dbraw/zinc/53/49/90/1068534990.db2.gz KTXHMLJWNSWGCZ-GUDVDZBRSA-N 0 3 456.634 1.644 20 0 JDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC001469579083 1068551730 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CCN1C(=S)N=NC1CCNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001470451853 1068764185 /nfs/dbraw/zinc/76/41/85/1068764185.db2.gz LRXKWVDWCPZYIY-SFHVURJKSA-N 0 3 458.636 1.768 20 0 JDADHN CCCN1C[C@H](CNC(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)CC1=O ZINC001470572040 1068784039 /nfs/dbraw/zinc/78/40/39/1068784039.db2.gz VHHVUEMCGYBLSQ-NRFANRHFSA-N 0 3 457.619 1.915 20 0 JDADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC001470664559 1068800114 /nfs/dbraw/zinc/80/01/14/1068800114.db2.gz COSOCZDXIWYQFC-LBPRGKRZSA-N 0 3 451.325 1.761 20 0 JDADHN CN(CCN1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1)Cc1ccccc1 ZINC001470730707 1068806110 /nfs/dbraw/zinc/80/61/10/1068806110.db2.gz VRPQXIYSJCRHCN-UHFFFAOYSA-N 0 3 450.527 1.423 20 0 JDADHN CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC001470862594 1068818508 /nfs/dbraw/zinc/81/85/08/1068818508.db2.gz HPILTKFISHMVOB-INIZCTEOSA-N 0 3 450.540 1.259 20 0 JDADHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 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C[C@H](CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)C ZINC001473778945 1069222558 /nfs/dbraw/zinc/22/25/58/1069222558.db2.gz IMVGLXCNPOHQOD-QGZVFWFLSA-N 0 3 453.605 1.905 20 0 JDADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CCN2CCOCC2(C)C)CCN1CCOC ZINC001500256460 1069222849 /nfs/dbraw/zinc/22/28/49/1069222849.db2.gz BRTMSRXGRMOYAJ-FQEVSTJZSA-N 0 3 472.638 1.783 20 0 JDADHN CCC[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC)CCN1CCOC ZINC001500259379 1069223409 /nfs/dbraw/zinc/22/34/09/1069223409.db2.gz PZYKZSPAKNCAMX-INIZCTEOSA-N 0 3 461.567 1.079 20 0 JDADHN CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001500264762 1069224988 /nfs/dbraw/zinc/22/49/88/1069224988.db2.gz RJXAJWGRSDGKFY-GUDVDZBRSA-N 0 3 461.611 1.177 20 0 JDADHN CCC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCN(CC)CC2)CCO1 ZINC001500269284 1069229814 /nfs/dbraw/zinc/22/98/14/1069229814.db2.gz SZCYMLMISCXHAK-PMACEKPBSA-N 0 3 468.668 1.213 20 0 JDADHN CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CCO1 ZINC001500268750 1069229934 /nfs/dbraw/zinc/22/99/34/1069229934.db2.gz QMDYZYOGGZLYSC-VAMGGRTRSA-N 0 3 469.652 1.422 20 0 JDADHN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001500338222 1069237075 /nfs/dbraw/zinc/23/70/75/1069237075.db2.gz DODDVOOPCLGWNI-RTWAWAEBSA-N 0 3 497.710 1.406 20 0 JDADHN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001500338220 1069237204 /nfs/dbraw/zinc/23/72/04/1069237204.db2.gz DODDVOOPCLGWNI-NHCUHLMSSA-N 0 3 497.710 1.406 20 0 JDADHN CN(C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001474374833 1069244038 /nfs/dbraw/zinc/24/40/38/1069244038.db2.gz FJFSKQPKNWVXER-LSDHHAIUSA-N 0 3 450.502 1.845 20 0 JDADHN CN(C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001474374830 1069244102 /nfs/dbraw/zinc/24/41/02/1069244102.db2.gz FJFSKQPKNWVXER-CABCVRRESA-N 0 3 450.502 1.845 20 0 JDADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001500409312 1069245845 /nfs/dbraw/zinc/24/58/45/1069245845.db2.gz PTDCTFJCOQZUCP-SFHVURJKSA-N 0 3 475.619 1.294 20 0 JDADHN CCCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001500566629 1069271800 /nfs/dbraw/zinc/27/18/00/1069271800.db2.gz HBEFLEBEDAUZNQ-UXHICEINSA-N 0 3 488.681 1.388 20 0 JDADHN CNC(=O)CN1CCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC001474824641 1069273382 /nfs/dbraw/zinc/27/33/82/1069273382.db2.gz IFJDBPPQJYIQEO-XZOQPEGZSA-N 0 3 474.602 1.487 20 0 JDADHN CCCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001500631823 1069291753 /nfs/dbraw/zinc/29/17/53/1069291753.db2.gz INNOHZSCORGSAG-KNQAVFIVSA-N 0 3 472.638 1.874 20 0 JDADHN CCCCN1CCC(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001474905615 1069301887 /nfs/dbraw/zinc/30/18/87/1069301887.db2.gz KNSOTFNEDKXHSN-UHFFFAOYSA-N 0 3 459.634 1.559 20 0 JDADHN CN1CCN(Cc2cccc(CNS(=O)(=O)Cc3cccc(S(C)(=O)=O)c3)c2)CC1 ZINC001474929408 1069307811 /nfs/dbraw/zinc/30/78/11/1069307811.db2.gz XOTGCDYDKYUURW-UHFFFAOYSA-N 0 3 451.614 1.457 20 0 JDADHN CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001505159017 1072393038 /nfs/dbraw/zinc/39/30/38/1072393038.db2.gz CCTFAZHVRQFLFC-FGTMMUONSA-N 0 3 473.713 1.245 20 0 JDADHN CS[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001505161602 1072394003 /nfs/dbraw/zinc/39/40/03/1072394003.db2.gz VSFLFVLMFDKJNA-JYJNAYRXSA-N 0 3 460.670 1.329 20 0 JDADHN CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001505161603 1072394120 /nfs/dbraw/zinc/39/41/20/1072394120.db2.gz VSFLFVLMFDKJNA-XHSDSOJGSA-N 0 3 460.670 1.329 20 0 JDADHN CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001505170552 1072397334 /nfs/dbraw/zinc/39/73/34/1072397334.db2.gz HDCCHFKGHYGQHW-QZTJIDSGSA-N 0 3 488.724 1.921 20 0 JDADHN CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC001505172087 1072399011 /nfs/dbraw/zinc/39/90/11/1072399011.db2.gz NNCQVABXPYZVMJ-SJLPKXTDSA-N 0 3 472.681 1.427 20 0 JDADHN CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)CCOCC1 ZINC001505178412 1072401811 /nfs/dbraw/zinc/40/18/11/1072401811.db2.gz BZOYFSWUVIQBDW-FQEVSTJZSA-N 0 3 493.722 1.933 20 0 JDADHN CSCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 ZINC001505255414 1072434835 /nfs/dbraw/zinc/43/48/35/1072434835.db2.gz SVCAVHYFOPKITF-QGZVFWFLSA-N 0 3 460.670 1.286 20 0 JDADHN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)C[C@H]1C(F)(F)F ZINC001505273142 1072445095 /nfs/dbraw/zinc/44/50/95/1072445095.db2.gz NUVCRMXQDINGMH-BRWVUGGUSA-N 0 3 458.529 1.996 20 0 JDADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001505277969 1072447888 /nfs/dbraw/zinc/44/78/88/1072447888.db2.gz PZNJDCURCSEVIN-RTBURBONSA-N 0 3 482.695 1.458 20 0 JDADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2ccccn2)n1CCCC(=O)N(C)C ZINC001505278086 1072447949 /nfs/dbraw/zinc/44/79/49/1072447949.db2.gz VVPPGAOXEOTURL-LJQANCHMSA-N 0 3 455.607 1.822 20 0 JDADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCC(C)(C)O ZINC001505278184 1072448006 /nfs/dbraw/zinc/44/80/06/1072448006.db2.gz ZXFVOYSWQVFJLR-QGZVFWFLSA-N 0 3 457.579 1.776 20 0 JDADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCOC2)n1CCCCCS(C)(=O)=O ZINC001505286374 1072464938 /nfs/dbraw/zinc/46/49/38/1072464938.db2.gz CNPOVVDVEACMLH-OALUTQOASA-N 0 3 469.652 1.686 20 0 JDADHN C[C@@H]1CN(CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)C[C@H](C)O1 ZINC001505287493 1072467852 /nfs/dbraw/zinc/46/78/52/1072467852.db2.gz LWBHWTVHNZILMP-BGYRXZFFSA-N 0 3 470.622 1.957 20 0 JDADHN O=C(c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCOCC(F)F)N1CCCC1 ZINC001505339635 1072517869 /nfs/dbraw/zinc/51/78/69/1072517869.db2.gz QWSVREKPTFYQJM-UHFFFAOYSA-N 0 3 456.538 1.344 20 0 JDADHN O=C(Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1)NCC(F)(F)F ZINC001505341845 1072522274 /nfs/dbraw/zinc/52/22/74/1072522274.db2.gz BLQDLIMZAXJBKC-OAHLLOKOSA-N 0 3 453.469 1.177 20 0 JDADHN O=C(Cn1c(Cc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1)NCC(F)(F)F ZINC001505346232 1072538058 /nfs/dbraw/zinc/53/80/58/1072538058.db2.gz VDOYIAJKUPHWFQ-UHFFFAOYSA-N 0 3 481.523 1.491 20 0 JDADHN O=C(Nc1ccccn1)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1CCCN1CCCO ZINC001505347947 1072544548 /nfs/dbraw/zinc/54/45/48/1072544548.db2.gz XDQHONOWCQESMD-HZPDHXFCSA-N 0 3 483.495 1.540 20 0 JDADHN O=C(Nc1ccccn1)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1CCCN1CCCO ZINC001505347948 1072544798 /nfs/dbraw/zinc/54/47/98/1072544798.db2.gz XDQHONOWCQESMD-JKSUJKDBSA-N 0 3 483.495 1.540 20 0 JDADHN CC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001508179404 1072941756 /nfs/dbraw/zinc/94/17/56/1072941756.db2.gz QZYZMRLTJNMUDU-UHFFFAOYSA-N 0 3 468.650 1.737 20 0 JDADHN CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508181995 1072944152 /nfs/dbraw/zinc/94/41/52/1072944152.db2.gz CRFGFUNLLKJBCP-WOJBJXKFSA-N 0 3 461.655 1.823 20 0 JDADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001508194681 1072958340 /nfs/dbraw/zinc/95/83/40/1072958340.db2.gz ZXKPTYAMQKJCOU-NRFANRHFSA-N 0 3 468.650 1.979 20 0 JDADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccncc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508197366 1072960586 /nfs/dbraw/zinc/96/05/86/1072960586.db2.gz QEXQTMGJAZKLAZ-XZOQPEGZSA-N 0 3 496.660 1.511 20 0 JDADHN CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508200820 1072965472 /nfs/dbraw/zinc/96/54/72/1072965472.db2.gz XSOJANSRYRKILQ-NHCUHLMSSA-N 0 3 461.655 1.724 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001508230507 1072993478 /nfs/dbraw/zinc/99/34/78/1072993478.db2.gz DCSPXMJGIWVWTK-NRSPTQNISA-N 0 3 475.638 1.423 20 0 JDADHN CC(=O)N1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001508229926 1072993586 /nfs/dbraw/zinc/99/35/86/1072993586.db2.gz XDHUUHQZUUTFEZ-NRFANRHFSA-N 0 3 453.591 1.762 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CC[C@H]3COCCO3)C[C@H]2C)CC1 ZINC001508230267 1072994030 /nfs/dbraw/zinc/99/40/30/1072994030.db2.gz AQHSGTRFWKTJGY-HLAWJBBLSA-N 0 3 462.639 1.760 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CC[C@@H]3COCCO3)C[C@H]2C)CC1 ZINC001508230268 1072994220 /nfs/dbraw/zinc/99/42/20/1072994220.db2.gz AQHSGTRFWKTJGY-HMXCVIKNSA-N 0 3 462.639 1.760 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3CCNC(=O)C(C)C)C[C@H]2C)CC1 ZINC001508230521 1072994378 /nfs/dbraw/zinc/99/43/78/1072994378.db2.gz DCVATSOLLXZZBJ-DENIHFKCSA-N 0 3 484.649 1.435 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccn4C)n3CCNC(=O)C(C)C)C[C@@H]2C)CC1 ZINC001508230540 1072994989 /nfs/dbraw/zinc/99/49/89/1072994989.db2.gz DCVATSOLLXZZBJ-UGKGYDQZSA-N 0 3 484.649 1.435 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3snnc3C)C[C@@H]2C)CC1 ZINC001508232577 1072998355 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CC(C)(C)OC(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001508669200 1073325929 /nfs/dbraw/zinc/32/59/29/1073325929.db2.gz BCAHXGQCWSSNRB-IBGZPJMESA-N 0 3 464.611 1.855 20 0 JDADHN CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508688066 1073335597 /nfs/dbraw/zinc/33/55/97/1073335597.db2.gz DGIGGIFDSJMVGQ-HXUWFJFHSA-N 0 3 483.679 1.934 20 0 JDADHN CC(C)(CN1CCCC1)Cn1c(C(=O)N2CCCC2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001508720131 1073350305 /nfs/dbraw/zinc/35/03/05/1073350305.db2.gz DVZNPERTWINJIU-UHFFFAOYSA-N 0 3 466.652 1.650 20 0 JDADHN CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001508756637 1073358165 /nfs/dbraw/zinc/35/81/65/1073358165.db2.gz PIASNWCGWXARMR-IBGZPJMESA-N 0 3 454.641 1.745 20 0 JDADHN CC(C)C(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508803219 1073387103 /nfs/dbraw/zinc/38/71/03/1073387103.db2.gz RZECKMWHGKYGDA-UHFFFAOYSA-N 0 3 473.666 1.918 20 0 JDADHN CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 ZINC001508813230 1073392505 /nfs/dbraw/zinc/39/25/05/1073392505.db2.gz QNCBMQOTRJSHSN-GOSISDBHSA-N 0 3 468.668 1.511 20 0 JDADHN CC(C)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001508838658 1073409961 /nfs/dbraw/zinc/40/99/61/1073409961.db2.gz OURGJYRXFFUWRJ-VQTJNVASSA-N 0 3 498.694 1.452 20 0 JDADHN CC(C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508843162 1073411248 /nfs/dbraw/zinc/41/12/48/1073411248.db2.gz HBCVCANXGHCPBN-XMMPIXPASA-N 0 3 455.607 1.415 20 0 JDADHN CC(C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001508851559 1073416364 /nfs/dbraw/zinc/41/63/64/1073416364.db2.gz OWZZBNMESDGCKE-AUSIDOKSSA-N 0 3 458.611 1.434 20 0 JDADHN CC(C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001508851571 1073416426 /nfs/dbraw/zinc/41/64/26/1073416426.db2.gz OWZZBNMESDGCKE-XXBNENTESA-N 0 3 458.611 1.434 20 0 JDADHN CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)N1CCCC1 ZINC001508872296 1073432891 /nfs/dbraw/zinc/43/28/91/1073432891.db2.gz ITRQYXRZIFWIGE-QRVBRYPASA-N 0 3 468.668 1.779 20 0 JDADHN CC(C)c1nnc(N2CCC(Cn3cncn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001508956022 1073453596 /nfs/dbraw/zinc/45/35/96/1073453596.db2.gz MGGVRFFWEMFLNP-FQEVSTJZSA-N 0 3 457.627 1.852 20 0 JDADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001508959168 1073454466 /nfs/dbraw/zinc/45/44/66/1073454466.db2.gz LKSKTJSXPGWBGL-VQTJNVASSA-N 0 3 467.684 1.430 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCn1cc(Br)cn1 ZINC001508993242 1073465062 /nfs/dbraw/zinc/46/50/62/1073465062.db2.gz BFWAVMXNPAMOOF-UHFFFAOYSA-N 0 3 479.427 1.805 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001508995207 1073467863 /nfs/dbraw/zinc/46/78/63/1073467863.db2.gz BLKSVQSKSFRQKT-OAQYLSRUSA-N 0 3 483.617 1.670 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001508995204 1073468031 /nfs/dbraw/zinc/46/80/31/1073468031.db2.gz BLKSVQSKSFRQKT-NRFANRHFSA-N 0 3 483.617 1.670 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001508996411 1073469030 /nfs/dbraw/zinc/46/90/30/1073469030.db2.gz MEPPIENNJDFQSM-MSOLQXFVSA-N 0 3 452.625 1.112 20 0 JDADHN CC(C)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001509001577 1073471502 /nfs/dbraw/zinc/47/15/02/1073471502.db2.gz KZHDYSCHEKLHCK-UHFFFAOYSA-N 0 3 453.591 1.730 20 0 JDADHN CC(C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001509012361 1073475621 /nfs/dbraw/zinc/47/56/21/1073475621.db2.gz FABPCTUOEIOUSY-XMMPIXPASA-N 0 3 490.674 1.205 20 0 JDADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001509014009 1073477586 /nfs/dbraw/zinc/47/75/86/1073477586.db2.gz NSENXGSPQWIDQO-IBGZPJMESA-N 0 3 462.620 1.450 20 0 JDADHN CCc1ccccc1OCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(=O)N(C)CC ZINC001546312440 1073481727 /nfs/dbraw/zinc/48/17/27/1073481727.db2.gz WXZCXAHLVMNWAU-NRFANRHFSA-N 0 3 497.644 1.641 20 0 JDADHN CC(C)[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001509038911 1073482282 /nfs/dbraw/zinc/48/22/82/1073482282.db2.gz CKDQAIXZQOPSCV-VQTJNVASSA-N 0 3 497.710 1.262 20 0 JDADHN CC(C)[C@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001509038918 1073482355 /nfs/dbraw/zinc/48/23/55/1073482355.db2.gz CKDQAIXZQOPSCV-WOJBJXKFSA-N 0 3 497.710 1.262 20 0 JDADHN CC(C)CC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001509119603 1073507847 /nfs/dbraw/zinc/50/78/47/1073507847.db2.gz OSFJREWOKISPNL-IBGZPJMESA-N 0 3 459.639 1.985 20 0 JDADHN CC(C)Cc1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001509188976 1073521879 /nfs/dbraw/zinc/52/18/79/1073521879.db2.gz MVNCCCXJOCURIA-FPOVZHCZSA-N 0 3 473.666 1.914 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001509218668 1073538652 /nfs/dbraw/zinc/53/86/52/1073538652.db2.gz OTLINVSFBAOAOB-AZUAARDMSA-N 0 3 468.668 1.590 20 0 JDADHN CC(C)Cc1nnc(N2CCO[C@H](c3cnn(C)c3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001509239161 1073544828 /nfs/dbraw/zinc/54/48/28/1073544828.db2.gz BKHDOPYQZKAWAG-SFTDATJTSA-N 0 3 472.638 1.731 20 0 JDADHN CC(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001509254106 1073547592 /nfs/dbraw/zinc/54/75/92/1073547592.db2.gz IHESLYZYYJNWTB-HXUWFJFHSA-N 0 3 468.668 1.307 20 0 JDADHN CC(C)CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001509267017 1073556082 /nfs/dbraw/zinc/55/60/82/1073556082.db2.gz WDLHTWLZULCIQH-XMMPIXPASA-N 0 3 472.638 1.610 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 ZINC001509402813 1073577791 /nfs/dbraw/zinc/57/77/91/1073577791.db2.gz KBLMVSLUPSWTLU-LJQANCHMSA-N 0 3 458.611 1.595 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NC2CCCCC2)CC1 ZINC001509402983 1073578488 /nfs/dbraw/zinc/57/84/88/1073578488.db2.gz BXDUBSPPDOXEMX-SFHVURJKSA-N 0 3 483.683 1.505 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)CCO3)CC1 ZINC001509403390 1073579114 /nfs/dbraw/zinc/57/91/14/1073579114.db2.gz FXVZZRXNQWIMKA-GOSISDBHSA-N 0 3 476.647 1.844 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)CCO3)CC1 ZINC001509403397 1073579172 /nfs/dbraw/zinc/57/91/72/1073579172.db2.gz FXVZZRXNQWIMKA-SFHVURJKSA-N 0 3 476.647 1.844 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001509404207 1073580660 /nfs/dbraw/zinc/58/06/60/1073580660.db2.gz BLRDHEZAPLWTFO-GOSISDBHSA-N 0 3 487.571 1.555 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC(N)=O)C1 ZINC001509405291 1073582946 /nfs/dbraw/zinc/58/29/46/1073582946.db2.gz CRFSNEXUPPWPBH-FGTMMUONSA-N 0 3 454.641 1.248 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001509407784 1073587542 /nfs/dbraw/zinc/58/75/42/1073587542.db2.gz ZIKFPACUYKKTCM-PTUXOGIPSA-N 0 3 451.612 1.637 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001509410607 1073589981 /nfs/dbraw/zinc/58/99/81/1073589981.db2.gz RJRVMISEXFHLPH-LJQANCHMSA-N 0 3 483.608 1.648 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001509412203 1073591450 /nfs/dbraw/zinc/59/14/50/1073591450.db2.gz WNMXRKFJYPMDJH-HXUWFJFHSA-N 0 3 485.608 1.775 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001509418844 1073593376 /nfs/dbraw/zinc/59/33/76/1073593376.db2.gz GEQARJBRSOFHRI-FQEVSTJZSA-N 0 3 453.591 1.666 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NC(C)C)CC1 ZINC001509422648 1073596870 /nfs/dbraw/zinc/59/68/70/1073596870.db2.gz NYIVYSVSPBJQAQ-UHFFFAOYSA-N 0 3 491.662 1.498 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001509423442 1073597728 /nfs/dbraw/zinc/59/77/28/1073597728.db2.gz TYKMFTHIMVUNMF-LJQANCHMSA-N 0 3 466.581 1.813 20 0 JDADHN CC(C)CN1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001509425627 1073600174 /nfs/dbraw/zinc/60/01/74/1073600174.db2.gz HPCUNPCPZAAKRQ-UHFFFAOYSA-N 0 3 456.682 1.702 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2)CC1 ZINC001509426530 1073600619 /nfs/dbraw/zinc/60/06/19/1073600619.db2.gz GEDNZACFYXTUML-MOPGFXCFSA-N 0 3 486.708 1.675 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1=O ZINC001509427647 1073602315 /nfs/dbraw/zinc/60/23/15/1073602315.db2.gz JRBPDSWBZQTNGY-HBMCJLEFSA-N 0 3 489.665 1.418 20 0 JDADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)COCCO2)CC1 ZINC001509428945 1073604237 /nfs/dbraw/zinc/60/42/37/1073604237.db2.gz AKEJDZFTSNQSHT-JOCHJYFZSA-N 0 3 462.620 1.853 20 0 JDADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1=O ZINC001509429880 1073605575 /nfs/dbraw/zinc/60/55/75/1073605575.db2.gz QHYLKUPHDXDIPS-TZIWHRDSSA-N 0 3 473.666 1.866 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001509430078 1073606889 /nfs/dbraw/zinc/60/68/89/1073606889.db2.gz OYZHEAMQPXYBME-QHAWAJNXSA-N 0 3 494.706 1.853 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1=O ZINC001509433137 1073611234 /nfs/dbraw/zinc/61/12/34/1073611234.db2.gz VMRLUIRXDYXFCA-PMACEKPBSA-N 0 3 480.679 1.605 20 0 JDADHN CC(C)CN1CCO[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001509438481 1073620031 /nfs/dbraw/zinc/62/00/31/1073620031.db2.gz ATYZUGBUYDPCPE-QHAWAJNXSA-N 0 3 472.638 1.637 20 0 JDADHN CC(C)COC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001509451806 1073635428 /nfs/dbraw/zinc/63/54/28/1073635428.db2.gz PNEWQEGTZKIJFC-GOSISDBHSA-N 0 3 484.667 1.683 20 0 JDADHN CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001509468272 1073640431 /nfs/dbraw/zinc/64/04/31/1073640431.db2.gz IZDQOSQCAJJSFJ-NJDAHSKKSA-N 0 3 462.639 1.976 20 0 JDADHN CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001509502764 1073652392 /nfs/dbraw/zinc/65/23/92/1073652392.db2.gz GUJNAHFBWGQSRE-FQEVSTJZSA-N 0 3 488.681 1.338 20 0 JDADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001509519178 1073663201 /nfs/dbraw/zinc/66/32/01/1073663201.db2.gz RYLXUCFEPLIARV-LJQANCHMSA-N 0 3 474.631 1.890 20 0 JDADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001509519238 1073663444 /nfs/dbraw/zinc/66/34/44/1073663444.db2.gz SMCBBWXKBACXLB-MJGOQNOKSA-N 0 3 476.603 1.624 20 0 JDADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)C(C)C ZINC001509546476 1073672716 /nfs/dbraw/zinc/67/27/16/1073672716.db2.gz KBHUGUYKSXLPLB-PKOBYXMFSA-N 0 3 481.667 1.339 20 0 JDADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1)C(C)C ZINC001509546463 1073672853 /nfs/dbraw/zinc/67/28/53/1073672853.db2.gz KALYKWSQIXSMRK-IBGZPJMESA-N 0 3 476.651 1.416 20 0 JDADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1)C(C)C ZINC001509546464 1073672940 /nfs/dbraw/zinc/67/29/40/1073672940.db2.gz KALYKWSQIXSMRK-LJQANCHMSA-N 0 3 476.651 1.416 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001509557959 1073681010 /nfs/dbraw/zinc/68/10/10/1073681010.db2.gz SYMRBOVLIQSTET-ROUUACIJSA-N 0 3 452.625 1.258 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001509559069 1073681899 /nfs/dbraw/zinc/68/18/99/1073681899.db2.gz CIARSSABWOTSHF-VQTJNVASSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)N1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001509559068 1073682023 /nfs/dbraw/zinc/68/20/23/1073682023.db2.gz CIARSSABWOTSHF-UXHICEINSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCN2CCOCC2)C1 ZINC001509562777 1073683677 /nfs/dbraw/zinc/68/36/77/1073683677.db2.gz NKAOYJVQYANCMH-PMACEKPBSA-N 0 3 468.668 1.069 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCN2CCOCC2)C1 ZINC001509562785 1073683975 /nfs/dbraw/zinc/68/39/75/1073683975.db2.gz NKAOYJVQYANCMH-VQTJNVASSA-N 0 3 468.668 1.069 20 0 JDADHN CC(C)N1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509564190 1073686396 /nfs/dbraw/zinc/68/63/96/1073686396.db2.gz SPVRVUIJICXWRL-RTBURBONSA-N 0 3 466.652 1.534 20 0 JDADHN CC(C)N1CCN([C@H]2CCN(c3nnc(Cc4ccsc4)n3CC(=O)NCC(F)F)C2)CC1 ZINC001509578260 1073696436 /nfs/dbraw/zinc/69/64/36/1073696436.db2.gz FMLGVHSQCYZKAL-SFHVURJKSA-N 0 3 481.617 1.916 20 0 JDADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CCOc4ccccc4)n3CCC(=O)N(C)C)C2)CC1 ZINC001509580045 1073701476 /nfs/dbraw/zinc/70/14/76/1073701476.db2.gz NLSDGAAWBBDPSB-QFIPXVFZSA-N 0 3 483.661 1.983 20 0 JDADHN CC(C)N1CCN([C@H]2CCN(c3nnc(Cc4ccncc4)n3CC(=O)NCC(F)F)C2)CC1 ZINC001509579961 1073701514 /nfs/dbraw/zinc/70/15/14/1073701514.db2.gz MKCNSCPVDWYSBH-IBGZPJMESA-N 0 3 476.576 1.250 20 0 JDADHN 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CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001502282410 1070017434 /nfs/dbraw/zinc/01/74/34/1070017434.db2.gz XHNQMNHKALEING-SJLPKXTDSA-N 0 3 472.590 1.971 20 0 JDADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001502282409 1070017380 /nfs/dbraw/zinc/01/73/80/1070017380.db2.gz XHNQMNHKALEING-FUHWJXTLSA-N 0 3 472.590 1.971 20 0 JDADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001502282500 1070017155 /nfs/dbraw/zinc/01/71/55/1070017155.db2.gz YZLBPYLCZDIYKD-FQEVSTJZSA-N 0 3 485.637 1.281 20 0 JDADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001502282408 1070017770 /nfs/dbraw/zinc/01/77/70/1070017770.db2.gz XHNQMNHKALEING-AEFFLSMTSA-N 0 3 472.590 1.971 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001502291796 1070031258 /nfs/dbraw/zinc/03/12/58/1070031258.db2.gz HSGQHXFXQICKQI-KSEOMHKRSA-N 0 3 488.681 1.280 20 0 JDADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001502292056 1070032716 /nfs/dbraw/zinc/03/27/16/1070032716.db2.gz LVEJYBOBZDUMJK-IRXDYDNUSA-N 0 3 485.555 1.893 20 0 JDADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001502292057 1070032994 /nfs/dbraw/zinc/03/29/94/1070032994.db2.gz LVEJYBOBZDUMJK-SJORKVTESA-N 0 3 485.555 1.893 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001502292106 1070033060 /nfs/dbraw/zinc/03/30/60/1070033060.db2.gz MPKLXVOBZNQPNR-RBUKOAKNSA-N 0 3 483.683 1.399 20 0 JDADHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC001478626441 1070033308 /nfs/dbraw/zinc/03/33/08/1070033308.db2.gz SKMHUNHPDGCNJB-DEOSSOPVSA-N 0 3 456.591 1.690 20 0 JDADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001502292296 1070033686 /nfs/dbraw/zinc/03/36/86/1070033686.db2.gz OWLJEIFAIOESIP-FQEVSTJZSA-N 0 3 498.632 1.779 20 0 JDADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001502292919 1070036129 /nfs/dbraw/zinc/03/61/29/1070036129.db2.gz ZGXUAKYNRKRJHZ-SFHVURJKSA-N 0 3 469.656 1.199 20 0 JDADHN CCN1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2CCC(OC)CC2)CC1=O ZINC001502300422 1070044459 /nfs/dbraw/zinc/04/44/59/1070044459.db2.gz GACCXGGKJTYOHJ-UHFFFAOYSA-N 0 3 498.632 1.873 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@@H](C3CCC3)C2)CC1 ZINC001502309265 1070065846 /nfs/dbraw/zinc/06/58/46/1070065846.db2.gz ASWXHZKJWPGGMK-SBHAEUEKSA-N 0 3 497.710 1.167 20 0 JDADHN CNC(=O)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)Cc1ccc(C(F)(F)F)cc1 ZINC001478917322 1070066898 /nfs/dbraw/zinc/06/68/98/1070066898.db2.gz ULJWVIHTCKTTAI-QXAKKESOSA-N 0 3 456.509 1.851 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001502309493 1070066848 /nfs/dbraw/zinc/06/68/48/1070066848.db2.gz GKSIUMCASISWLB-XDNAFOTISA-N 0 3 491.653 1.642 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001502310112 1070071327 /nfs/dbraw/zinc/07/13/27/1070071327.db2.gz SLIOJEAWDNAPHB-OTWHNJEPSA-N 0 3 455.673 1.541 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC001502310214 1070070995 /nfs/dbraw/zinc/07/09/95/1070070995.db2.gz VDRHWTXHXZJPSF-HNTODFAGSA-N 0 3 494.681 1.801 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC001502309625 1070067943 /nfs/dbraw/zinc/06/79/43/1070067943.db2.gz JLZWKTKZCQGQGU-LJQANCHMSA-N 0 3 487.653 1.485 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC001502310217 1070072005 /nfs/dbraw/zinc/07/20/05/1070072005.db2.gz VDRHWTXHXZJPSF-OAKYZLIPSA-N 0 3 494.681 1.801 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502310885 1070075630 /nfs/dbraw/zinc/07/56/30/1070075630.db2.gz IRXQIRATZPBTCB-IRXDYDNUSA-N 0 3 463.030 1.838 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502310233 1070072651 /nfs/dbraw/zinc/07/26/51/1070072651.db2.gz VMAJMSHVOJEGCI-AABGKKOBSA-N 0 3 465.643 1.085 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310748 1070075684 /nfs/dbraw/zinc/07/56/84/1070075684.db2.gz FSSRGAAZSSXXGX-OALUTQOASA-N 0 3 485.633 1.690 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cscn2)CC1 ZINC001502310325 1070073681 /nfs/dbraw/zinc/07/36/81/1070073681.db2.gz XJFNXCCQLDZQLO-HZPDHXFCSA-N 0 3 470.669 1.007 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310747 1070075911 /nfs/dbraw/zinc/07/59/11/1070075911.db2.gz FSSRGAAZSSXXGX-MOPGFXCFSA-N 0 3 485.633 1.690 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502310621 1070074793 /nfs/dbraw/zinc/07/47/93/1070074793.db2.gz CTOPRMAQWQTGRZ-HNNXBMFYSA-N 0 3 479.427 1.340 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502310904 1070075973 /nfs/dbraw/zinc/07/59/73/1070075973.db2.gz IWSLCHOVJQGRHF-SFHVURJKSA-N 0 3 485.633 1.690 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(CC(=O)NC3CCC(C)CC3)CC2)CC1 ZINC001502310871 1070075344 /nfs/dbraw/zinc/07/53/44/1070075344.db2.gz IMHJWDQYCKWATG-QKDPSFTKSA-N 0 3 474.698 1.429 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001502310129 1070071532 /nfs/dbraw/zinc/07/15/32/1070071532.db2.gz SQIPHRBMBLANKY-AQNXPRMDSA-N 0 3 469.700 1.787 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502311291 1070078337 /nfs/dbraw/zinc/07/83/37/1070078337.db2.gz PVACOLYPOOOVQN-FQEVSTJZSA-N 0 3 489.690 1.831 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502311093 1070078929 /nfs/dbraw/zinc/07/89/29/1070078929.db2.gz MOPLNPQAUCMFGP-RBUKOAKNSA-N 0 3 485.633 1.655 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502311334 1070079304 /nfs/dbraw/zinc/07/93/04/1070079304.db2.gz QPRLPQLRGUVOBV-SJORKVTESA-N 0 3 461.014 1.686 20 0 JDADHN C[NH+]1CCC2(CC1)CN(C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)CCO2 ZINC001479007529 1070080199 /nfs/dbraw/zinc/08/01/99/1070080199.db2.gz QBOGQHZMGIAQAT-UHFFFAOYSA-N 0 3 450.540 1.213 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001502311008 1070077164 /nfs/dbraw/zinc/07/71/64/1070077164.db2.gz KQMXFXJDCPXERH-SFHVURJKSA-N 0 3 479.651 1.344 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC001502312886 1070084449 /nfs/dbraw/zinc/08/44/49/1070084449.db2.gz UQVDZURAHFAMPC-QZTJIDSGSA-N 0 3 483.587 1.777 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502312077 1070082096 /nfs/dbraw/zinc/08/20/96/1070082096.db2.gz FPAFBFGBZLUBHG-FQEVSTJZSA-N 0 3 454.623 1.671 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502312381 1070083190 /nfs/dbraw/zinc/08/31/90/1070083190.db2.gz LAPMFVPVAAPLEC-IBGZPJMESA-N 0 3 470.622 1.098 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001502312361 1070083482 /nfs/dbraw/zinc/08/34/82/1070083482.db2.gz KSASDQGBIBLFAS-DOTOQJQBSA-N 0 3 454.501 1.529 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC001502312885 1070084167 /nfs/dbraw/zinc/08/41/67/1070084167.db2.gz UQVDZURAHFAMPC-MSOLQXFVSA-N 0 3 483.587 1.777 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502312666 1070084977 /nfs/dbraw/zinc/08/49/77/1070084977.db2.gz PZDIHESHOKPFQH-UXHICEINSA-N 0 3 490.678 1.132 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001502312940 1070086000 /nfs/dbraw/zinc/08/60/00/1070086000.db2.gz VJFFGTUPOXPEJR-JKSUJKDBSA-N 0 3 464.018 1.279 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001502312939 1070086113 /nfs/dbraw/zinc/08/61/13/1070086113.db2.gz VJFFGTUPOXPEJR-HZPDHXFCSA-N 0 3 464.018 1.279 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001502313093 1070086664 /nfs/dbraw/zinc/08/66/64/1070086664.db2.gz XUHODVKRGMZPRS-GOSISDBHSA-N 0 3 455.611 1.208 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC001502313068 1070087218 /nfs/dbraw/zinc/08/72/18/1070087218.db2.gz XLZGLUJMDXZCHV-YPAWHYETSA-N 0 3 498.676 1.734 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001502313553 1070088763 /nfs/dbraw/zinc/08/87/63/1070088763.db2.gz GLMFHHJYSKHZKO-RBUKOAKNSA-N 0 3 473.588 1.882 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001502313715 1070089903 /nfs/dbraw/zinc/08/99/03/1070089903.db2.gz JNSZDMYRJDIZNF-LEWJYISDSA-N 0 3 475.682 1.720 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502313745 1070090472 /nfs/dbraw/zinc/09/04/72/1070090472.db2.gz KARBJXMPXQAMJY-NFBKMPQASA-N 0 3 499.660 1.245 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502313875 1070091262 /nfs/dbraw/zinc/09/12/62/1070091262.db2.gz LUAOEOKNZNAIMQ-GOSISDBHSA-N 0 3 467.684 1.480 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502314459 1070093333 /nfs/dbraw/zinc/09/33/33/1070093333.db2.gz WABFBTLXPDDZMQ-IBGZPJMESA-N 0 3 469.634 1.605 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502314796 1070095344 /nfs/dbraw/zinc/09/53/44/1070095344.db2.gz BDWWPNIUVHLBFC-NHCUHLMSSA-N 0 3 499.660 1.854 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502314797 1070095783 /nfs/dbraw/zinc/09/57/83/1070095783.db2.gz BDWWPNIUVHLBFC-RTWAWAEBSA-N 0 3 499.660 1.854 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502315038 1070096468 /nfs/dbraw/zinc/09/64/68/1070096468.db2.gz FXRZBAWBFXPKLS-NHCUHLMSSA-N 0 3 499.660 1.854 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001502315060 1070096727 /nfs/dbraw/zinc/09/67/27/1070096727.db2.gz GNUMKNHDKPSECL-FSSWDIPSSA-N 0 3 474.654 1.406 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502315058 1070096779 /nfs/dbraw/zinc/09/67/79/1070096779.db2.gz GNCGHJXXCQZNQD-SFHVURJKSA-N 0 3 476.025 1.815 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502314978 1070096894 /nfs/dbraw/zinc/09/68/94/1070096894.db2.gz DYWYAXHZGZCHKN-PKOBYXMFSA-N 0 3 474.679 1.622 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001502315062 1070096978 /nfs/dbraw/zinc/09/69/78/1070096978.db2.gz GNUMKNHDKPSECL-YPAWHYETSA-N 0 3 474.654 1.406 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502315039 1070097056 /nfs/dbraw/zinc/09/70/56/1070097056.db2.gz FXRZBAWBFXPKLS-RTWAWAEBSA-N 0 3 499.660 1.854 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502315156 1070097959 /nfs/dbraw/zinc/09/79/59/1070097959.db2.gz IDZCJJQVISCJDF-LJQANCHMSA-N 0 3 488.612 1.484 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502315161 1070098196 /nfs/dbraw/zinc/09/81/96/1070098196.db2.gz IESVGLQZDHTBJN-CLOONOSVSA-N 0 3 487.624 1.985 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502315096 1070098300 /nfs/dbraw/zinc/09/83/00/1070098300.db2.gz HDUXUFFAPDTLEE-ZJSXRUAMSA-N 0 3 483.661 1.431 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502315350 1070099697 /nfs/dbraw/zinc/09/96/97/1070099697.db2.gz MBNAEUSJVJIJQP-ICSRJNTNSA-N 0 3 467.684 1.022 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001502315393 1070100250 /nfs/dbraw/zinc/10/02/50/1070100250.db2.gz NEKGVYAECMIWSO-IFMALSPDSA-N 0 3 468.650 1.642 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315369 1070100543 /nfs/dbraw/zinc/10/05/43/1070100543.db2.gz MMSVAMSSXUKREI-RTWAWAEBSA-N 0 3 469.634 1.893 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502315447 1070100655 /nfs/dbraw/zinc/10/06/55/1070100655.db2.gz NZKBSALCYCPDKY-KBMIEXCESA-N 0 3 487.624 1.985 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001502315395 1070100902 /nfs/dbraw/zinc/10/09/02/1070100902.db2.gz NEKGVYAECMIWSO-RBBKRZOGSA-N 0 3 468.650 1.642 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502315446 1070101223 /nfs/dbraw/zinc/10/12/23/1070101223.db2.gz NZKBSALCYCPDKY-DFBJGRDBSA-N 0 3 487.624 1.985 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001502315617 1070103825 /nfs/dbraw/zinc/10/38/25/1070103825.db2.gz RJPAVOFVFJMENQ-IBGZPJMESA-N 0 3 455.607 1.679 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502315655 1070104018 /nfs/dbraw/zinc/10/40/18/1070104018.db2.gz RZQUVUZAJYHOGK-FQEVSTJZSA-N 0 3 454.623 1.349 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001502316082 1070109448 /nfs/dbraw/zinc/10/94/48/1070109448.db2.gz YZIMFFQQZWPRKH-OPYAIIAOSA-N 0 3 477.679 1.900 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502315976 1070109751 /nfs/dbraw/zinc/10/97/51/1070109751.db2.gz XIQPEWBPZBNBCU-UNMCSNQZSA-N 0 3 485.633 1.143 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502315978 1070109898 /nfs/dbraw/zinc/10/98/98/1070109898.db2.gz XJQKETNGXPHFJE-SFHVURJKSA-N 0 3 459.570 1.349 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502316101 1070110021 /nfs/dbraw/zinc/11/00/21/1070110021.db2.gz ZKMNPACFPNANCF-CJFMBICVSA-N 0 3 453.635 1.791 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001502316195 1070111440 /nfs/dbraw/zinc/11/14/40/1070111440.db2.gz BUFSFBRBYBXDDT-MHTWAQMVSA-N 0 3 450.628 1.643 20 0 JDADHN CCN1CCN(c2ccc(Cn3c(C)nnc3N(C)CCN3CCOC(C)(C)C3)cn2)CC1 ZINC001502316224 1070111495 /nfs/dbraw/zinc/11/14/95/1070111495.db2.gz CPINSRKADLAKPN-UHFFFAOYSA-N 0 3 456.639 1.719 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001502316292 1070111604 /nfs/dbraw/zinc/11/16/04/1070111604.db2.gz FJHIZMVKNIUDTP-MHTWAQMVSA-N 0 3 464.655 1.889 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001502316290 1070111948 /nfs/dbraw/zinc/11/19/48/1070111948.db2.gz FJHIZMVKNIUDTP-ANULTFPQSA-N 0 3 464.655 1.889 20 0 JDADHN 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CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccc4F)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001502334682 1070188578 /nfs/dbraw/zinc/18/85/78/1070188578.db2.gz NUZKUPJSEICJMK-LJQANCHMSA-N 0 3 493.653 1.628 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cnccn4)n3CCCOCC(F)F)C2)CC1 ZINC001502334730 1070188823 /nfs/dbraw/zinc/18/88/23/1070188823.db2.gz PHBWZWSXJBJVOA-KRWDZBQOSA-N 0 3 450.538 1.623 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CC(F)(F)Br)C2)CC1 ZINC001502335047 1070192085 /nfs/dbraw/zinc/19/20/85/1070192085.db2.gz YUJYYIQLXIJHGF-OAHLLOKOSA-N 0 3 473.370 1.883 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccncc4)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001502335671 1070198090 /nfs/dbraw/zinc/19/80/90/1070198090.db2.gz NQQOOZKZASTLII-FQEVSTJZSA-N 0 3 454.623 1.252 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(CC4CCCC4)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001502335113 1070193839 /nfs/dbraw/zinc/19/38/39/1070193839.db2.gz AMWAFGUIAXXIQU-NRFANRHFSA-N 0 3 481.711 1.555 20 0 JDADHN 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ZINC001502335486 1070196172 /nfs/dbraw/zinc/19/61/72/1070196172.db2.gz KFYUSJIVYSGLPY-GOSISDBHSA-N 0 3 455.673 1.022 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC001502335687 1070197615 /nfs/dbraw/zinc/19/76/15/1070197615.db2.gz NYPPDXIHVIEXOM-WOJBJXKFSA-N 0 3 467.684 1.117 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001502336117 1070198893 /nfs/dbraw/zinc/19/88/93/1070198893.db2.gz VMUCLUNQADIISO-UXHICEINSA-N 0 3 477.654 1.865 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001502336119 1070199300 /nfs/dbraw/zinc/19/93/00/1070199300.db2.gz VMUCLUNQADIISO-WOJBJXKFSA-N 0 3 477.654 1.865 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3CCNC(=O)C(C)C)C2)CC1 ZINC001502336340 1070200550 /nfs/dbraw/zinc/20/05/50/1070200550.db2.gz YCRHYINRNMLOMM-OAQYLSRUSA-N 0 3 471.625 1.996 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccn4)n3CCC(=O)NC(C)C)C2)CC1 ZINC001502336168 1070200722 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ZINC001502358758 1070297761 /nfs/dbraw/zinc/29/77/61/1070297761.db2.gz PXZFGWIDOKKHSY-HXUWFJFHSA-N 0 3 454.623 1.383 20 0 JDADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC001502359088 1070299373 /nfs/dbraw/zinc/29/93/73/1070299373.db2.gz VFVVIEFHUSPYFH-UHFFFAOYSA-N 0 3 482.677 1.930 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001502359196 1070299535 /nfs/dbraw/zinc/29/95/35/1070299535.db2.gz YERDAFPDPSREMI-OAQYLSRUSA-N 0 3 477.654 1.724 20 0 JDADHN CCN1CCN(CCCn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502359254 1070300044 /nfs/dbraw/zinc/30/00/44/1070300044.db2.gz ZOTGDJSSGZTKCT-DEOSSOPVSA-N 0 3 454.623 1.254 20 0 JDADHN CCN1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502359489 1070300124 /nfs/dbraw/zinc/30/01/24/1070300124.db2.gz AAGRCILAKQSMOX-NRFANRHFSA-N 0 3 471.654 1.224 20 0 JDADHN CCN1CCN(CCCn2c(N3CC(=O)N(C)C[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502360373 1070302622 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DBADOJOCFZMAKN-KZNAEPCWSA-N 0 3 452.625 1.365 20 0 JDADHN CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001502378175 1070322852 /nfs/dbraw/zinc/32/28/52/1070322852.db2.gz VBABPHSTYLUYGW-GHTZIAJQSA-N 0 3 499.664 1.220 20 0 JDADHN CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001502378178 1070322918 /nfs/dbraw/zinc/32/29/18/1070322918.db2.gz VBABPHSTYLUYGW-WIYYLYMNSA-N 0 3 499.664 1.220 20 0 JDADHN CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001502378176 1070322999 /nfs/dbraw/zinc/32/29/99/1070322999.db2.gz VBABPHSTYLUYGW-NQIIRXRSSA-N 0 3 499.664 1.220 20 0 JDADHN C[C@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 ZINC001493660340 1070326645 /nfs/dbraw/zinc/32/66/45/1070326645.db2.gz DMVXPFHVVPDUNH-KRWDZBQOSA-N 0 3 460.604 1.549 20 0 JDADHN C[C@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001493661190 1070326988 /nfs/dbraw/zinc/32/69/88/1070326988.db2.gz HUBUIAPEXOCXOP-PKOBYXMFSA-N 0 3 474.631 1.925 20 0 JDADHN CCNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001502389502 1070333030 /nfs/dbraw/zinc/33/30/30/1070333030.db2.gz GNFVSRVJIYQRQP-NRFANRHFSA-N 0 3 485.681 1.518 20 0 JDADHN CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)C[C@H]2C)CCC1 ZINC001502394131 1070339434 /nfs/dbraw/zinc/33/94/34/1070339434.db2.gz WOFNFFXMYKXWBE-GOSISDBHSA-N 0 3 475.638 1.412 20 0 JDADHN CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)CCC1 ZINC001502395250 1070339716 /nfs/dbraw/zinc/33/97/16/1070339716.db2.gz AHVCTEJWWGXIDK-ULQDDVLXSA-N 0 3 469.656 1.114 20 0 JDADHN CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)CCC1 ZINC001502395603 1070340439 /nfs/dbraw/zinc/34/04/39/1070340439.db2.gz FDERJWSTUCRQBI-SFHVURJKSA-N 0 3 495.694 1.649 20 0 JDADHN CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CCC(C)(C)C)CC2)CCC1 ZINC001502396497 1070342047 /nfs/dbraw/zinc/34/20/47/1070342047.db2.gz ZHVFFXCTAIDVOX-GOSISDBHSA-N 0 3 497.710 1.753 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1CCN1CCC[C@H](C)C1 ZINC001493795724 1070347935 /nfs/dbraw/zinc/34/79/35/1070347935.db2.gz GEUNWUSTAIAAJQ-SFTDATJTSA-N 0 3 488.681 1.281 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001493795723 1070348092 /nfs/dbraw/zinc/34/80/92/1070348092.db2.gz GEUNWUSTAIAAJQ-RTWAWAEBSA-N 0 3 488.681 1.281 20 0 JDADHN CCNC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001502419051 1070359034 /nfs/dbraw/zinc/35/90/34/1070359034.db2.gz ITVZENXEQOFDAN-LJQANCHMSA-N 0 3 453.591 1.948 20 0 JDADHN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCC(C)CC1 ZINC001493861217 1070363922 /nfs/dbraw/zinc/36/39/22/1070363922.db2.gz DIZGONVDKQAQCP-GOSISDBHSA-N 0 3 490.634 1.127 20 0 JDADHN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1)N1CCC(C)CC1 ZINC001493861607 1070364666 /nfs/dbraw/zinc/36/46/66/1070364666.db2.gz GPILFCPKFUKNQW-ROUUACIJSA-N 0 3 454.579 1.748 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC001502422687 1070364613 /nfs/dbraw/zinc/36/46/13/1070364613.db2.gz HHYPRMOYWORWEZ-FQEVSTJZSA-N 0 3 462.687 1.107 20 0 JDADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001494050669 1070381094 /nfs/dbraw/zinc/38/10/94/1070381094.db2.gz KTSMIRPXZDGCBL-GOSISDBHSA-N 0 3 475.681 1.173 20 0 JDADHN CC1CCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001494066593 1070383401 /nfs/dbraw/zinc/38/34/01/1070383401.db2.gz KIFVNEJLTCFUCS-SFHVURJKSA-N 0 3 474.009 1.905 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCN1CCC(C)CC1 ZINC001494069486 1070383470 /nfs/dbraw/zinc/38/34/70/1070383470.db2.gz ZSYJPYXSBIWPCW-MRXNPFEDSA-N 0 3 473.544 1.653 20 0 JDADHN CCc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001546237928 1070388390 /nfs/dbraw/zinc/38/83/90/1070388390.db2.gz YFCPUIMBOYQYFD-UHFFFAOYSA-N 0 3 481.645 1.966 20 0 JDADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001494097423 1070392193 /nfs/dbraw/zinc/39/21/93/1070392193.db2.gz UHZHTLRXCASMNE-OTWHNJEPSA-N 0 3 497.710 1.308 20 0 JDADHN C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CC1)N(C)C ZINC001494106983 1070396830 /nfs/dbraw/zinc/39/68/30/1070396830.db2.gz KVNZZJKVPDXIGE-BEFAXECRSA-N 0 3 460.604 1.356 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001502435848 1070397969 /nfs/dbraw/zinc/39/79/69/1070397969.db2.gz KRCDMBSXARLQDX-FGZHOGPDSA-N 0 3 469.634 1.999 20 0 JDADHN CCNC(=O)N1CCN(c2nnc([C@H](C)CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001502440687 1070413872 /nfs/dbraw/zinc/41/38/72/1070413872.db2.gz CFCSAOASWZGAMI-MOPGFXCFSA-N 0 3 462.643 1.586 20 0 JDADHN C[C@H]1CN(C)C(=O)CN1c1nnc(CC2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001494130764 1070420891 /nfs/dbraw/zinc/42/08/91/1070420891.db2.gz WAXIFZOHEDVQCH-ICSRJNTNSA-N 0 3 459.639 1.620 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001502449443 1070444069 /nfs/dbraw/zinc/44/40/69/1070444069.db2.gz VRCXKNRYLBQRKY-FQEVSTJZSA-N 0 3 469.569 1.972 20 0 JDADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001494150379 1070445091 /nfs/dbraw/zinc/44/50/91/1070445091.db2.gz KADNPMUYDMIDLE-MOPGFXCFSA-N 0 3 484.605 1.483 20 0 JDADHN CCNC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC001502463872 1070501760 /nfs/dbraw/zinc/50/17/60/1070501760.db2.gz YBDKQEMWRJLHSO-VQTJNVASSA-N 0 3 462.643 1.255 20 0 JDADHN C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)C2CCCC2)CC(=O)N1C ZINC001494227011 1070510568 /nfs/dbraw/zinc/51/05/68/1070510568.db2.gz HHHUWLSYZQZLFG-KRWDZBQOSA-N 0 3 474.631 1.890 20 0 JDADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001502474642 1070544490 /nfs/dbraw/zinc/54/44/90/1070544490.db2.gz KMMHCEUEMHUOHQ-UXHICEINSA-N 0 3 490.609 1.639 20 0 JDADHN CCc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCOCC3)CC2)cc1 ZINC001546239867 1070545408 /nfs/dbraw/zinc/54/54/08/1070545408.db2.gz DTULLAFQHYTXCL-IBGZPJMESA-N 0 3 490.674 1.994 20 0 JDADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001502475182 1070549829 /nfs/dbraw/zinc/54/98/29/1070549829.db2.gz UCEVYUHWEHVIPA-UYAOXDASSA-N 0 3 488.593 1.695 20 0 JDADHN C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC(=O)N1C ZINC001494402528 1070583462 /nfs/dbraw/zinc/58/34/62/1070583462.db2.gz PIHNJKPPVOKHEC-WIYYLYMNSA-N 0 3 485.608 1.618 20 0 JDADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)Cc2ccccc2)C1 ZINC001502482171 1070581725 /nfs/dbraw/zinc/58/17/25/1070581725.db2.gz DPWOKVCYYFMLIP-WOJBJXKFSA-N 0 3 462.620 1.780 20 0 JDADHN C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC(=O)N1C ZINC001494402527 1070583293 /nfs/dbraw/zinc/58/32/93/1070583293.db2.gz PIHNJKPPVOKHEC-RXVVDRJESA-N 0 3 485.608 1.618 20 0 JDADHN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)C1 ZINC001502482710 1070586607 /nfs/dbraw/zinc/58/66/07/1070586607.db2.gz LEKONOHQLSLQCV-KRWDZBQOSA-N 0 3 493.659 1.050 20 0 JDADHN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCN(C)C(C)(C)C2)CCCO1 ZINC001494467321 1070595470 /nfs/dbraw/zinc/59/54/70/1070595470.db2.gz IYPBCXINBYGHTL-SFHVURJKSA-N 0 3 475.663 1.911 20 0 JDADHN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)S1 ZINC001494467459 1070595782 /nfs/dbraw/zinc/59/57/82/1070595782.db2.gz YFHNBINNRPFORJ-GUDVDZBRSA-N 0 3 477.679 1.673 20 0 JDADHN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)S1 ZINC001494467463 1070595913 /nfs/dbraw/zinc/59/59/13/1070595913.db2.gz YFHNBINNRPFORJ-QRVBRYPASA-N 0 3 477.679 1.673 20 0 JDADHN CCOC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCN(CC)CC2)CC1 ZINC001502491496 1070604261 /nfs/dbraw/zinc/60/42/61/1070604261.db2.gz WRBCAKLXGZTSKP-UHFFFAOYSA-N 0 3 499.620 1.232 20 0 JDADHN C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCN(C(C)(C)C)CC2)C[C@H](C)O1 ZINC001494518652 1070610337 /nfs/dbraw/zinc/61/03/37/1070610337.db2.gz KGLUCZKFXYIKRM-PMACEKPBSA-N 0 3 461.655 1.934 20 0 JDADHN CCOC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)CC1 ZINC001502502618 1070621175 /nfs/dbraw/zinc/62/11/75/1070621175.db2.gz PMRNTTKHBVPTHQ-MOPGFXCFSA-N 0 3 482.651 1.723 20 0 JDADHN CCOC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC001502502520 1070620443 /nfs/dbraw/zinc/62/04/43/1070620443.db2.gz NXRBQYAEEBFNON-ZCNNSNEGSA-N 0 3 496.678 1.827 20 0 JDADHN CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001502515509 1070633577 /nfs/dbraw/zinc/63/35/77/1070633577.db2.gz YWBFZUTWHQPHRO-AQNXPRMDSA-N 0 3 491.637 1.549 20 0 JDADHN CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001502528438 1070648491 /nfs/dbraw/zinc/64/84/91/1070648491.db2.gz BSKNKETUTXMFMT-QUCCMNQESA-N 0 3 499.620 1.393 20 0 JDADHN CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001502531614 1070654799 /nfs/dbraw/zinc/65/47/99/1070654799.db2.gz ZNNAUBPXPVYDOR-VAMGGRTRSA-N 0 3 463.627 1.523 20 0 JDADHN CCOC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001502551669 1070668324 /nfs/dbraw/zinc/66/83/24/1070668324.db2.gz SGXHBIMVTSBTPH-IBGZPJMESA-N 0 3 458.611 1.842 20 0 JDADHN CCO[C@]1(c2nnc(N(C)[C@@H]3CCSC3)n2CCCN2CCN(CC)CC2)CCOC1 ZINC001502624769 1070706481 /nfs/dbraw/zinc/70/64/81/1070706481.db2.gz IUVPHMOBAWKHLP-DENIHFKCSA-N 0 3 452.669 1.900 20 0 JDADHN CCO[C@@]1(c2nnc(N(C)[C@H]3CCSC3)n2CCCN2CCN(CC)CC2)CCOC1 ZINC001502624772 1070707242 /nfs/dbraw/zinc/70/72/42/1070707242.db2.gz IUVPHMOBAWKHLP-UGKGYDQZSA-N 0 3 452.669 1.900 20 0 JDADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001494711460 1070715282 /nfs/dbraw/zinc/71/52/82/1070715282.db2.gz ILAVKEPBNTXGIX-GOSISDBHSA-N 0 3 455.611 1.256 20 0 JDADHN 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CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cccc(O)c1 ZINC001503030089 1070979354 /nfs/dbraw/zinc/97/93/54/1070979354.db2.gz BOIYYNSLTFISAZ-AVRDEDQJSA-N 0 3 456.591 1.947 20 0 JDADHN CCOCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(O)cc1 ZINC001503033029 1070985106 /nfs/dbraw/zinc/98/51/06/1070985106.db2.gz KQRSUXXHEYNAJG-GCJKJVERSA-N 0 3 456.591 1.947 20 0 JDADHN CCOCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503038150 1071000961 /nfs/dbraw/zinc/00/09/61/1071000961.db2.gz ILURMLCGLFPAOQ-XFGYDDDFSA-N 0 3 450.628 1.613 20 0 JDADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCNS(C)(=O)=O ZINC001546288323 1071002385 /nfs/dbraw/zinc/00/23/85/1071002385.db2.gz MFDLXDDQKNLFHI-ZWKOTPCHSA-N 0 3 464.636 1.888 20 0 JDADHN CCOCc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001503052401 1071008498 /nfs/dbraw/zinc/00/84/98/1071008498.db2.gz QUJZVYAHIZAQFV-YADARESESA-N 0 3 469.590 1.932 20 0 JDADHN CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001503056822 1071011762 /nfs/dbraw/zinc/01/17/62/1071011762.db2.gz MHKQCUZTEIBCIO-QFIPXVFZSA-N 0 3 464.655 1.720 20 0 JDADHN CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001503058157 1071013930 /nfs/dbraw/zinc/01/39/30/1071013930.db2.gz UHDUJFFMDVJQTC-IBGZPJMESA-N 0 3 490.571 1.626 20 0 JDADHN CCOCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC[S@](=O)C(C)(C)C ZINC001503060208 1071015430 /nfs/dbraw/zinc/01/54/30/1071015430.db2.gz DXSZSGCNNZECJO-RQZFFVEVSA-N 0 3 454.685 1.967 20 0 JDADHN CCOCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC[S@](=O)C(C)(C)C ZINC001503060202 1071015481 /nfs/dbraw/zinc/01/54/81/1071015481.db2.gz DXSZSGCNNZECJO-KKIUXKEOSA-N 0 3 454.685 1.967 20 0 JDADHN CCOCc1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503084160 1071032330 /nfs/dbraw/zinc/03/23/30/1071032330.db2.gz PNOXADMCJWVKPI-FQEVSTJZSA-N 0 3 459.643 1.890 20 0 JDADHN COc1ccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CC(=O)NC(C)C)cc1 ZINC001504309659 1071039426 /nfs/dbraw/zinc/03/94/26/1071039426.db2.gz SRBPXTZNGGBLAP-OAQYLSRUSA-N 0 3 499.616 1.133 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503097357 1071040767 /nfs/dbraw/zinc/04/07/67/1071040767.db2.gz BKMRGKKKOOOBKU-UHFFFAOYSA-N 0 3 459.595 1.396 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001503098198 1071042608 /nfs/dbraw/zinc/04/26/08/1071042608.db2.gz LQIYAPSQVYCONE-MOPGFXCFSA-N 0 3 459.595 1.453 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001503098802 1071044295 /nfs/dbraw/zinc/04/42/95/1071044295.db2.gz GSZLWKQTBHSFHV-UHFFFAOYSA-N 0 3 470.578 1.098 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCNC(=O)c1occc1C ZINC001503099529 1071046407 /nfs/dbraw/zinc/04/64/07/1071046407.db2.gz UANQRQMXXGHEKY-LJQANCHMSA-N 0 3 487.605 1.279 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001503099895 1071048316 /nfs/dbraw/zinc/04/83/16/1071048316.db2.gz ZFLXCDDORNNTGV-FQEVSTJZSA-N 0 3 478.544 1.915 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc2c(c1)OCCO2 ZINC001503099857 1071047610 /nfs/dbraw/zinc/04/76/10/1071047610.db2.gz SAOOYRKJSVOSTL-UHFFFAOYSA-N 0 3 472.590 1.625 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001503100037 1071048931 /nfs/dbraw/zinc/04/89/31/1071048931.db2.gz SXLAQZKTOXFARG-DEOSSOPVSA-N 0 3 474.606 1.677 20 0 JDADHN COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)C[C@H]2C)N(C)C)c1 ZINC001504326372 1071061686 /nfs/dbraw/zinc/06/16/86/1071061686.db2.gz XBJBUTSRBRLPBM-MNEFBYGVSA-N 0 3 455.563 1.208 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001503109346 1071062827 /nfs/dbraw/zinc/06/28/27/1071062827.db2.gz LGYCNOKRJFIYKI-SFHVURJKSA-N 0 3 477.631 1.956 20 0 JDADHN CCOCc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503109690 1071063622 /nfs/dbraw/zinc/06/36/22/1071063622.db2.gz POBVWTQZCMUECL-UHFFFAOYSA-N 0 3 478.711 1.844 20 0 JDADHN COc1cccc([C@@H](Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@H]2C)N(C)C)c1 ZINC001504325240 1071059839 /nfs/dbraw/zinc/05/98/39/1071059839.db2.gz PCHWFIUTGHVTSU-OXQOHEQNSA-N 0 3 450.547 1.714 20 0 JDADHN COc1cccc([C@H](Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)N(C)C)c1 ZINC001504325238 1071059869 /nfs/dbraw/zinc/05/98/69/1071059869.db2.gz PCHWFIUTGHVTSU-JXFKEZNVSA-N 0 3 450.547 1.714 20 0 JDADHN COc1cccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCC3)C2)N(C)C)c1 ZINC001504325232 1071059884 /nfs/dbraw/zinc/05/98/84/1071059884.db2.gz PBVBRHLCGOFDEA-XLIONFOSSA-N 0 3 492.646 1.959 20 0 JDADHN COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)CC2)N(C)C)c1 ZINC001504326008 1071060472 /nfs/dbraw/zinc/06/04/72/1071060472.db2.gz SIIGLJCADVPDJT-NRFANRHFSA-N 0 3 469.590 1.381 20 0 JDADHN COc1cccc([C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)N2CCOCC2)N(C)C)c1 ZINC001504325609 1071060516 /nfs/dbraw/zinc/06/05/16/1071060516.db2.gz PQLKKLRADBNKKX-IFMALSPDSA-N 0 3 486.617 1.779 20 0 JDADHN COc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)C[C@H]2C)N(C)C)c1 ZINC001504326370 1071061204 /nfs/dbraw/zinc/06/12/04/1071061204.db2.gz XBJBUTSRBRLPBM-LZQZEXGQSA-N 0 3 455.563 1.208 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCCCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001503110330 1071065780 /nfs/dbraw/zinc/06/57/80/1071065780.db2.gz UNHYRRAJGIOOTC-UHFFFAOYSA-N 0 3 455.625 1.209 20 0 JDADHN COc1cccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CC(=O)NC(C)C)c1 ZINC001504341965 1071070931 /nfs/dbraw/zinc/07/09/31/1071070931.db2.gz UPKRWJGVJWZZFD-UHFFFAOYSA-N 0 3 469.590 1.223 20 0 JDADHN CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001503116725 1071080713 /nfs/dbraw/zinc/08/07/13/1071080713.db2.gz JFSFUWSGMVUWJK-KRWDZBQOSA-N 0 3 468.649 1.795 20 0 JDADHN CCOCc1nnc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503121752 1071088558 /nfs/dbraw/zinc/08/85/58/1071088558.db2.gz AMVJGXMZVQCWLR-NHCUHLMSSA-N 0 3 460.627 1.251 20 0 JDADHN CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 ZINC001503124570 1071090530 /nfs/dbraw/zinc/09/05/30/1071090530.db2.gz NWXKRWWYGNEMKE-GOTSBHOMSA-N 0 3 470.618 1.993 20 0 JDADHN CCOCc1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503127782 1071092131 /nfs/dbraw/zinc/09/21/31/1071092131.db2.gz HJUJOKHRWLOEHD-TXTKFYIRSA-N 0 3 450.628 1.472 20 0 JDADHN CCOC[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001503142197 1071098175 /nfs/dbraw/zinc/09/81/75/1071098175.db2.gz ODNNEOOUJNXZTA-VQTJNVASSA-N 0 3 482.695 1.459 20 0 JDADHN CCOC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001503142199 1071098336 /nfs/dbraw/zinc/09/83/36/1071098336.db2.gz ODNNEOOUJNXZTA-WOJBJXKFSA-N 0 3 482.695 1.459 20 0 JDADHN COc1ccccc1[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)OC)N1CCCC1 ZINC001504367774 1071100722 /nfs/dbraw/zinc/10/07/22/1071100722.db2.gz CSYKIZZMIMBWQF-NVXWUHKLSA-N 0 3 452.581 1.732 20 0 JDADHN CCOC[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001503159177 1071112083 /nfs/dbraw/zinc/11/20/83/1071112083.db2.gz JVCVJWCBMANADY-ACRUOGEOSA-N 0 3 464.655 1.891 20 0 JDADHN CCOCCCCn1c(-c2cnccn2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503174532 1071121308 /nfs/dbraw/zinc/12/13/08/1071121308.db2.gz WUTVUQMDSRUITB-UGKGYDQZSA-N 0 3 470.622 1.931 20 0 JDADHN CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503203499 1071149227 /nfs/dbraw/zinc/14/92/27/1071149227.db2.gz ZFORSVALJCXAMT-UHFFFAOYSA-N 0 3 480.411 1.817 20 0 JDADHN CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001503210767 1071155157 /nfs/dbraw/zinc/15/51/57/1071155157.db2.gz HPUNBVYKEKKOOB-UHFFFAOYSA-N 0 3 462.620 1.855 20 0 JDADHN CCOCCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCN2CC)CC1 ZINC001503216690 1071166284 /nfs/dbraw/zinc/16/62/84/1071166284.db2.gz PIWVCIODEVPLJC-HXUWFJFHSA-N 0 3 470.622 1.958 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001503219455 1071172334 /nfs/dbraw/zinc/17/23/34/1071172334.db2.gz DAHBLEGHZRZWCT-UHFFFAOYSA-N 0 3 457.623 1.918 20 0 JDADHN COc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001504425682 1071183876 /nfs/dbraw/zinc/18/38/76/1071183876.db2.gz TZITVHQOCMISHC-GOSISDBHSA-N 0 3 492.646 1.494 20 0 JDADHN CCOCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CN2CCOCC2)CC1 ZINC001503223094 1071185992 /nfs/dbraw/zinc/18/59/92/1071185992.db2.gz LOCMLTDQCMTUAH-NHCUHLMSSA-N 0 3 450.628 1.299 20 0 JDADHN CCOCCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001503222681 1071184123 /nfs/dbraw/zinc/18/41/23/1071184123.db2.gz IGFWKHDJWXUXAM-YADHBBJMSA-N 0 3 463.671 1.357 20 0 JDADHN CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)CC1 ZINC001503225424 1071194614 /nfs/dbraw/zinc/19/46/14/1071194614.db2.gz YWXYYRRBFOOPJE-IBGZPJMESA-N 0 3 468.668 1.213 20 0 JDADHN COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504454666 1071226718 /nfs/dbraw/zinc/22/67/18/1071226718.db2.gz SKVBFAJQAMZACY-WIYYLYMNSA-N 0 3 498.632 1.247 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(CC(C)C)C1 ZINC001503249635 1071258626 /nfs/dbraw/zinc/25/86/26/1071258626.db2.gz BXWDEZPPZDHUGN-ZWKOTPCHSA-N 0 3 454.641 1.468 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCC3(CNC(=O)C3)CC2)CC1 ZINC001504489313 1071263833 /nfs/dbraw/zinc/26/38/33/1071263833.db2.gz HIEVGZYDJNQRQM-UHFFFAOYSA-N 0 3 475.638 1.412 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N(C)CCN2CCOCC2)CC1 ZINC001504490903 1071267313 /nfs/dbraw/zinc/26/73/13/1071267313.db2.gz VNWULIQQUWGVPE-UHFFFAOYSA-N 0 3 465.643 1.074 20 0 JDADHN COC1CCN(C2(Cn3c(CN4CCCC4=O)nnc3N(C)CCS(C)(=O)=O)CCCC2)CC1 ZINC001504493105 1071271498 /nfs/dbraw/zinc/27/14/98/1071271498.db2.gz CDYLUIRSQLPRPW-UHFFFAOYSA-N 0 3 496.678 1.305 20 0 JDADHN CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)Cc2ccccc2)CC[C@@H]1C ZINC001504505297 1071280854 /nfs/dbraw/zinc/28/08/54/1071280854.db2.gz TYQJYHTVHOXDRG-CMKODMSKSA-N 0 3 464.636 1.882 20 0 JDADHN CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503257181 1071292562 /nfs/dbraw/zinc/29/25/62/1071292562.db2.gz GUMAEZRQRXEKIA-UHFFFAOYSA-N 0 3 460.604 1.124 20 0 JDADHN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC[C@H]1C ZINC001504519628 1071295536 /nfs/dbraw/zinc/29/55/36/1071295536.db2.gz JAUVSBGIILGARU-STZQEDGTSA-N 0 3 486.665 1.944 20 0 JDADHN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC[C@H]1C ZINC001504519627 1071296071 /nfs/dbraw/zinc/29/60/71/1071296071.db2.gz JAUVSBGIILGARU-BVYCBKJFSA-N 0 3 486.665 1.944 20 0 JDADHN COCC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001504534108 1071329261 /nfs/dbraw/zinc/32/92/61/1071329261.db2.gz HFVBXQREDDFIQM-RTWAWAEBSA-N 0 3 456.591 1.770 20 0 JDADHN COCC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001504536472 1071340072 /nfs/dbraw/zinc/34/00/72/1071340072.db2.gz CUQKOVQPOWVQQG-UHFFFAOYSA-N 0 3 499.660 1.487 20 0 JDADHN COCC(=O)N1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCCCC2)CC1 ZINC001504536602 1071341168 /nfs/dbraw/zinc/34/11/68/1071341168.db2.gz DVYSLVNLZDZYAF-UHFFFAOYSA-N 0 3 472.590 1.647 20 0 JDADHN COCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504553300 1071377866 /nfs/dbraw/zinc/37/78/66/1071377866.db2.gz ARTHIMBIUSXPSL-HXUWFJFHSA-N 0 3 455.607 1.679 20 0 JDADHN COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504556475 1071378922 /nfs/dbraw/zinc/37/89/22/1071378922.db2.gz LCRPDKRCGXOHKA-QWFCFKBJSA-N 0 3 463.627 1.078 20 0 JDADHN COC[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001504558827 1071382792 /nfs/dbraw/zinc/38/27/92/1071382792.db2.gz OIFZDHXPRUXDKN-GOSISDBHSA-N 0 3 457.579 1.757 20 0 JDADHN CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001503277087 1071394013 /nfs/dbraw/zinc/39/40/13/1071394013.db2.gz ILKZXUVPEYFGIH-GOSISDBHSA-N 0 3 456.657 1.670 20 0 JDADHN CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001503277125 1071394561 /nfs/dbraw/zinc/39/45/61/1071394561.db2.gz JATSPYDWOCWQMO-LJQANCHMSA-N 0 3 491.662 1.283 20 0 JDADHN COC[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504567581 1071389584 /nfs/dbraw/zinc/38/95/84/1071389584.db2.gz CCUFANZJQXYHGC-IFMALSPDSA-N 0 3 470.618 1.925 20 0 JDADHN CCS(=O)(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001503276354 1071390051 /nfs/dbraw/zinc/39/00/51/1071390051.db2.gz YBZWKAYLNBTUTG-UHFFFAOYSA-N 0 3 494.637 1.962 20 0 JDADHN COC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1)OC ZINC001504577918 1071399750 /nfs/dbraw/zinc/39/97/50/1071399750.db2.gz GVNAUMVRECKMLV-IFMALSPDSA-N 0 3 486.617 1.967 20 0 JDADHN COC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001504589093 1071428214 /nfs/dbraw/zinc/42/82/14/1071428214.db2.gz MWXNCGGAVMSNGU-SFTDATJTSA-N 0 3 486.617 1.282 20 0 JDADHN CCS(=O)(=O)NCCn1c(-c2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503282481 1071439263 /nfs/dbraw/zinc/43/92/63/1071439263.db2.gz QGYRJXSKUXXXIR-UHFFFAOYSA-N 0 3 480.610 1.572 20 0 JDADHN COC[C@H](F)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504607725 1071463630 /nfs/dbraw/zinc/46/36/30/1071463630.db2.gz IWVUHUIIVAXWNV-SFHLNBCPSA-N 0 3 480.629 1.926 20 0 JDADHN COC[C@@H](F)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504608351 1071464890 /nfs/dbraw/zinc/46/48/90/1071464890.db2.gz MTZUEPGJCOPLOU-ROUUACIJSA-N 0 3 450.584 1.658 20 0 JDADHN COC[C@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504608622 1071465879 /nfs/dbraw/zinc/46/58/79/1071465879.db2.gz MJMBECQKJMYQJF-IRLDBZIGSA-N 0 3 488.608 1.799 20 0 JDADHN COC[C@H](F)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001504612975 1071472748 /nfs/dbraw/zinc/47/27/48/1071472748.db2.gz JWNUZCIZJJLVMU-WOZUAGRISA-N 0 3 468.618 1.591 20 0 JDADHN COCC1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001504617564 1071478206 /nfs/dbraw/zinc/47/82/06/1071478206.db2.gz AMNINJUJRRTIAR-MOPGFXCFSA-N 0 3 475.638 1.425 20 0 JDADHN COCC1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001504617567 1071478255 /nfs/dbraw/zinc/47/82/55/1071478255.db2.gz AMNINJUJRRTIAR-RTBURBONSA-N 0 3 475.638 1.425 20 0 JDADHN COCC1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001504617565 1071478279 /nfs/dbraw/zinc/47/82/79/1071478279.db2.gz AMNINJUJRRTIAR-OALUTQOASA-N 0 3 475.638 1.425 20 0 JDADHN CC[S@@](=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503292247 1071497343 /nfs/dbraw/zinc/49/73/43/1071497343.db2.gz VDLVTUAIVYGXFQ-MGBGTMOVSA-N 0 3 474.631 1.467 20 0 JDADHN COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)cs1 ZINC001504653437 1071513754 /nfs/dbraw/zinc/51/37/54/1071513754.db2.gz CPSCTIHXAKCJGB-INIZCTEOSA-N 0 3 463.608 1.226 20 0 JDADHN COCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504645831 1071509120 /nfs/dbraw/zinc/50/91/20/1071509120.db2.gz ZHPWLBMLCRUJRR-SFHVURJKSA-N 0 3 492.646 1.384 20 0 JDADHN COC[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001504661541 1071524397 /nfs/dbraw/zinc/52/43/97/1071524397.db2.gz CLCCRRXNTPBEHD-FQEVSTJZSA-N 0 3 461.655 1.793 20 0 JDADHN CC[S@@](=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503301921 1071521840 /nfs/dbraw/zinc/52/18/40/1071521840.db2.gz QJOZDSHAEXFQAD-WJOKGBTCSA-N 0 3 450.653 1.524 20 0 JDADHN COC[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001504665318 1071527402 /nfs/dbraw/zinc/52/74/02/1071527402.db2.gz PFSRWCCBOIZAIM-RBUKOAKNSA-N 0 3 485.699 1.167 20 0 JDADHN COC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001504673463 1071531631 /nfs/dbraw/zinc/53/16/31/1071531631.db2.gz VKGKJNFXZUTUNA-LJQANCHMSA-N 0 3 470.622 1.814 20 0 JDADHN COC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)C1 ZINC001504687289 1071542794 /nfs/dbraw/zinc/54/27/94/1071542794.db2.gz XKTPBCYPFOADAC-AQNXPRMDSA-N 0 3 469.652 1.280 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCSCC1 ZINC001503357802 1071561063 /nfs/dbraw/zinc/56/10/63/1071561063.db2.gz OFOWTVRGXFOINB-QGZVFWFLSA-N 0 3 491.687 1.766 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001503357974 1071562138 /nfs/dbraw/zinc/56/21/38/1071562138.db2.gz CGEMESCXAQKDHE-PZJWPPBQSA-N 0 3 482.633 1.298 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001503358070 1071563413 /nfs/dbraw/zinc/56/34/13/1071563413.db2.gz DKFXTJPBECTTIC-LJQANCHMSA-N 0 3 489.665 1.851 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 ZINC001503358159 1071564396 /nfs/dbraw/zinc/56/43/96/1071564396.db2.gz REQDKAKDIOSVGH-IBGZPJMESA-N 0 3 490.008 1.389 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001503358298 1071565517 /nfs/dbraw/zinc/56/55/17/1071565517.db2.gz GCNYUZCYWGGHLX-SFTDATJTSA-N 0 3 486.665 1.911 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001503358292 1071565569 /nfs/dbraw/zinc/56/55/69/1071565569.db2.gz GCNYUZCYWGGHLX-NHCUHLMSSA-N 0 3 486.665 1.911 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001503358289 1071565701 /nfs/dbraw/zinc/56/57/01/1071565701.db2.gz GCNYUZCYWGGHLX-LEWJYISDSA-N 0 3 486.665 1.911 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001503358360 1071566209 /nfs/dbraw/zinc/56/62/09/1071566209.db2.gz GVHQBKUDFJFDCJ-SJORKVTESA-N 0 3 485.555 1.951 20 0 JDADHN COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC(C)CC2)C[C@@H](C)O1 ZINC001504712430 1071569844 /nfs/dbraw/zinc/56/98/44/1071569844.db2.gz XBJVMXJIZNDLNP-MOPGFXCFSA-N 0 3 457.579 1.897 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCOC1 ZINC001503359590 1071570626 /nfs/dbraw/zinc/57/06/26/1071570626.db2.gz MGEYIQPEDUPKEM-RTBURBONSA-N 0 3 484.605 1.341 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCO1 ZINC001503359855 1071572233 /nfs/dbraw/zinc/57/22/33/1071572233.db2.gz ODNLGCOTWXKISW-NHCUHLMSSA-N 0 3 455.607 1.822 20 0 JDADHN CN(C)C(=O)CC1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001503361095 1071574735 /nfs/dbraw/zinc/57/47/35/1071574735.db2.gz VCMKTXSNEUQJRG-UHFFFAOYSA-N 0 3 482.677 1.985 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001503361889 1071578372 /nfs/dbraw/zinc/57/83/72/1071578372.db2.gz ZJPHRINYAPOYFH-MOPGFXCFSA-N 0 3 461.655 1.901 20 0 JDADHN CN(C)C(=O)CCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503364795 1071588774 /nfs/dbraw/zinc/58/87/74/1071588774.db2.gz SOWORWMKWBZVJO-JOCHJYFZSA-N 0 3 497.644 1.511 20 0 JDADHN COC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001504723525 1071589287 /nfs/dbraw/zinc/58/92/87/1071589287.db2.gz DMFYXMABCGOGBG-PMACEKPBSA-N 0 3 457.623 1.915 20 0 JDADHN COC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001504723532 1071589393 /nfs/dbraw/zinc/58/93/93/1071589393.db2.gz DMFYXMABCGOGBG-WOJBJXKFSA-N 0 3 457.623 1.915 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N(C)Cc2ccccc2)CCO1 ZINC001504725070 1071590600 /nfs/dbraw/zinc/59/06/00/1071590600.db2.gz AUSOCEADPOYJRY-HJNYFJLDSA-N 0 3 491.658 1.942 20 0 JDADHN CN(C)C(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC2CC2)CC1 ZINC001503365986 1071591509 /nfs/dbraw/zinc/59/15/09/1071591509.db2.gz RDNVGOWALILDRQ-UHFFFAOYSA-N 0 3 460.604 1.359 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001504729316 1071598091 /nfs/dbraw/zinc/59/80/91/1071598091.db2.gz OABBNHDNFAJBGC-AQNXPRMDSA-N 0 3 450.628 1.438 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001504729319 1071598328 /nfs/dbraw/zinc/59/83/28/1071598328.db2.gz OABBNHDNFAJBGC-UFYCRDLUSA-N 0 3 450.628 1.438 20 0 JDADHN CN(C)C(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503370681 1071602677 /nfs/dbraw/zinc/60/26/77/1071602677.db2.gz SMUMDNNKRKGIJZ-UHFFFAOYSA-N 0 3 459.982 1.431 20 0 JDADHN CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001503370633 1071602694 /nfs/dbraw/zinc/60/26/94/1071602694.db2.gz QVDQOTHSTDRHOP-UHFFFAOYSA-N 0 3 494.438 1.683 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001504729322 1071598263 /nfs/dbraw/zinc/59/82/63/1071598263.db2.gz OABBNHDNFAJBGC-ZCNNSNEGSA-N 0 3 450.628 1.438 20 0 JDADHN COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001504737048 1071612663 /nfs/dbraw/zinc/61/26/63/1071612663.db2.gz XXRQZKDTXCKNIS-RXVVDRJESA-N 0 3 474.581 1.912 20 0 JDADHN COCCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504739088 1071616892 /nfs/dbraw/zinc/61/68/92/1071616892.db2.gz NPMDCHVZETZFEY-LJQANCHMSA-N 0 3 498.632 1.731 20 0 JDADHN COCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001504748246 1071626401 /nfs/dbraw/zinc/62/64/01/1071626401.db2.gz OJGYPKCJVSQSFY-XWEVFREBSA-N 0 3 450.628 1.905 20 0 JDADHN COCC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC2CC2)CC1 ZINC001504748779 1071627654 /nfs/dbraw/zinc/62/76/54/1071627654.db2.gz IAVYEGHOZHGMEA-HSZRJFAPSA-N 0 3 477.631 1.668 20 0 JDADHN COCCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001504745720 1071622783 /nfs/dbraw/zinc/62/27/83/1071622783.db2.gz RYNROMGRUOZBBP-LJQANCHMSA-N 0 3 486.683 1.452 20 0 JDADHN COCC[C@](C)(O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001504751254 1071632979 /nfs/dbraw/zinc/63/29/79/1071632979.db2.gz LBYQEPPBHBHCRH-DVECYGJZSA-N 0 3 459.591 1.900 20 0 JDADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccc(F)cc1 ZINC001503379647 1071634976 /nfs/dbraw/zinc/63/49/76/1071634976.db2.gz CAISTYREYLGJOR-FDDCHVKYSA-N 0 3 457.554 1.544 20 0 JDADHN CN(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1)c1cccs1 ZINC001503380146 1071635638 /nfs/dbraw/zinc/63/56/38/1071635638.db2.gz GQZTXTBXKFBNHM-HZPDHXFCSA-N 0 3 454.622 1.574 20 0 JDADHN CN(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccc(F)c1 ZINC001503381493 1071637551 /nfs/dbraw/zinc/63/75/51/1071637551.db2.gz BYOJUCWGPMUTBF-MJGOQNOKSA-N 0 3 466.583 1.306 20 0 JDADHN COCC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504753317 1071637723 /nfs/dbraw/zinc/63/77/23/1071637723.db2.gz DODMLYFLPKYTFR-CVDCTZTESA-N 0 3 464.611 1.052 20 0 JDADHN COCC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504753326 1071637804 /nfs/dbraw/zinc/63/78/04/1071637804.db2.gz DODMLYFLPKYTFR-XXBNENTESA-N 0 3 464.611 1.052 20 0 JDADHN CN(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC001503383148 1071638962 /nfs/dbraw/zinc/63/89/62/1071638962.db2.gz QPLLJGYFULWRDK-OAQYLSRUSA-N 0 3 487.605 1.788 20 0 JDADHN CN(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 ZINC001503387300 1071645634 /nfs/dbraw/zinc/64/56/34/1071645634.db2.gz JBTOBTAZEIXLLH-MOPGFXCFSA-N 0 3 455.563 1.003 20 0 JDADHN CN(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1)c1cccs1 ZINC001503384598 1071641824 /nfs/dbraw/zinc/64/18/24/1071641824.db2.gz XFFKKXIXFXPKEW-GVDBMIGSSA-N 0 3 484.648 1.201 20 0 JDADHN CN(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1cccs1 ZINC001503386313 1071643786 /nfs/dbraw/zinc/64/37/86/1071643786.db2.gz IXWZXTAQZCZYLI-DLBZAZTESA-N 0 3 468.649 1.966 20 0 JDADHN CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCC1 ZINC001503386598 1071644516 /nfs/dbraw/zinc/64/45/16/1071644516.db2.gz LYWIAZPAWGAPDL-GOSISDBHSA-N 0 3 495.694 1.685 20 0 JDADHN CN(C)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCS(=O)(=O)CC2)CCOCC1 ZINC001503388607 1071646679 /nfs/dbraw/zinc/64/66/79/1071646679.db2.gz ZQLNALHWNMUMBC-UHFFFAOYSA-N 0 3 453.996 1.944 20 0 JDADHN 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COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001504858767 1071784191 /nfs/dbraw/zinc/78/41/91/1071784191.db2.gz INTDMYHATQXZHN-GOSISDBHSA-N 0 3 476.647 1.979 20 0 JDADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001504859126 1071786050 /nfs/dbraw/zinc/78/60/50/1071786050.db2.gz TVFFYMLWBYRAMG-QGZVFWFLSA-N 0 3 465.599 1.082 20 0 JDADHN COCCN(C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001504859048 1071786091 /nfs/dbraw/zinc/78/60/91/1071786091.db2.gz RGXMKBUMEHMLSL-UHFFFAOYSA-N 0 3 481.601 1.709 20 0 JDADHN COCCN(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001504860516 1071794589 /nfs/dbraw/zinc/79/45/89/1071794589.db2.gz GNUXSTDXEOVUIK-UHFFFAOYSA-N 0 3 466.970 1.977 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001504863067 1071802520 /nfs/dbraw/zinc/80/25/20/1071802520.db2.gz YMEDVPKFCABBNH-HXUWFJFHSA-N 0 3 458.611 1.948 20 0 JDADHN COCCN(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001504861475 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COc1ccc(CN2CCCN(C(=O)CN3CCN(CCc4ccncc4)CC3)CC2)cc1 ZINC001473720887 1069216306 /nfs/dbraw/zinc/21/63/06/1069216306.db2.gz DIOZBXPOSXUDSH-UHFFFAOYSA-N 0 3 451.615 1.985 20 0 JDADHN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C[C@H](O)CC2(O)CCCCC2)C1 ZINC001473744077 1069218562 /nfs/dbraw/zinc/21/85/62/1069218562.db2.gz OWBLRPADFVNMON-MANSERQUSA-N 0 3 453.580 1.947 20 0 JDADHN COC(=O)C1=C(C)O[C@H](CN2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 ZINC001473744490 1069218924 /nfs/dbraw/zinc/21/89/24/1069218924.db2.gz YHUXGSMEKGECBK-ATLSCFEFSA-N 0 3 451.520 1.737 20 0 JDADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC001473747251 1069219236 /nfs/dbraw/zinc/21/92/36/1069219236.db2.gz GKEIZPSFWNDSJM-VVOOWDFBSA-N 0 3 459.568 1.470 20 0 JDADHN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC[C@@H]4[C@H]3CCCN4C)cc2)C[C@@H](C)O1 ZINC001473770229 1069221030 /nfs/dbraw/zinc/22/10/30/1069221030.db2.gz VNPZFVNTRKMDCQ-DEPWHIHDSA-N 0 3 450.605 1.592 20 0 JDADHN CCC[C@H]1CN(c2nnc(-c3cccn3C)n2CCC(=O)N2CCOCC2)CCN1CCOC ZINC001500257352 1069222385 /nfs/dbraw/zinc/22/23/85/1069222385.db2.gz XAGZDZVYBYINBT-FQEVSTJZSA-N 0 3 473.622 1.470 20 0 JDADHN CCC[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)C)CCN1CCOC ZINC001500258309 1069223313 /nfs/dbraw/zinc/22/33/13/1069223313.db2.gz KCPXXQZMHMIHOV-INIZCTEOSA-N 0 3 461.567 1.031 20 0 JDADHN CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(N)=O)c2)CCN1CCOC ZINC001500260431 1069223786 /nfs/dbraw/zinc/22/37/86/1069223786.db2.gz XMXUTGVLCJQWBE-NRFANRHFSA-N 0 3 466.590 1.763 20 0 JDADHN CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001500264758 1069225117 /nfs/dbraw/zinc/22/51/17/1069225117.db2.gz RJXAJWGRSDGKFY-CEXWTWQISA-N 0 3 461.611 1.177 20 0 JDADHN O=C(CN1CCC[C@H](C2CCOCC2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001473821515 1069228451 /nfs/dbraw/zinc/22/84/51/1069228451.db2.gz OJNFTIOAJCMHCQ-IBGZPJMESA-N 0 3 453.580 1.797 20 0 JDADHN CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CCO1 ZINC001500268749 1069229856 /nfs/dbraw/zinc/22/98/56/1069229856.db2.gz QMDYZYOGGZLYSC-SLFFLAALSA-N 0 3 469.652 1.422 20 0 JDADHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001473846571 1069231398 /nfs/dbraw/zinc/23/13/98/1069231398.db2.gz NYLRWDKLTUEXKY-SQNIBIBYSA-N 0 3 452.596 1.495 20 0 JDADHN CCC[C@@H]1CN(c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CCN1CCOC ZINC001500279614 1069232360 /nfs/dbraw/zinc/23/23/60/1069232360.db2.gz REMZGJUNUBZLPR-OAQYLSRUSA-N 0 3 497.706 1.888 20 0 JDADHN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001500338224 1069237254 /nfs/dbraw/zinc/23/72/54/1069237254.db2.gz DODDVOOPCLGWNI-SFTDATJTSA-N 0 3 497.710 1.406 20 0 JDADHN O=C1C[C@H](NCc2c[nH]nc2-c2ccc(Br)s2)CN1CCN1CCOCC1 ZINC001474017753 1069239338 /nfs/dbraw/zinc/23/93/38/1069239338.db2.gz KNFPBTAGEBHHDP-AWEZNQCLSA-N 0 3 454.394 1.923 20 0 JDADHN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC001474825447 1069273717 /nfs/dbraw/zinc/27/37/17/1069273717.db2.gz XNMKSUVUNPXZLV-FPOVZHCZSA-N 0 3 456.008 1.987 20 0 JDADHN CCCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCSC2)CC1 ZINC001500570599 1069276765 /nfs/dbraw/zinc/27/67/65/1069276765.db2.gz GAUFDPVULAZPQJ-QHCPKHFHSA-N 0 3 479.695 1.986 20 0 JDADHN COC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc(F)c1F ZINC001474833803 1069277026 /nfs/dbraw/zinc/27/70/26/1069277026.db2.gz ATVVQGQSXSVPFF-UHFFFAOYSA-N 0 3 453.511 1.977 20 0 JDADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC001474907386 1069301613 /nfs/dbraw/zinc/30/16/13/1069301613.db2.gz AWCRWXBFAAYTBO-FUHWJXTLSA-N 0 3 458.422 1.813 20 0 JDADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC001474907387 1069301809 /nfs/dbraw/zinc/30/18/09/1069301809.db2.gz AWCRWXBFAAYTBO-SJLPKXTDSA-N 0 3 458.422 1.813 20 0 JDADHN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC001474908428 1069302345 /nfs/dbraw/zinc/30/23/45/1069302345.db2.gz LUCLJHMMAJLLMS-GFCCVEGCSA-N 0 3 451.467 1.358 20 0 JDADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(O[C@H]2CCCCNC2=O)cc1 ZINC001474933720 1069308984 /nfs/dbraw/zinc/30/89/84/1069308984.db2.gz OIJRHYCLJNNUCO-IBGZPJMESA-N 0 3 450.561 1.877 20 0 JDADHN CSC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001505150008 1072384626 /nfs/dbraw/zinc/38/46/26/1072384626.db2.gz YKKBOGNHBPLTQG-HNNXBMFYSA-N 0 3 460.670 1.331 20 0 JDADHN CSC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001505156180 1072391774 /nfs/dbraw/zinc/39/17/74/1072391774.db2.gz LRGZWDPTSQJMMY-QGZVFWFLSA-N 0 3 474.697 1.531 20 0 JDADHN CS[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC001505172085 1072398848 /nfs/dbraw/zinc/39/88/48/1072398848.db2.gz NNCQVABXPYZVMJ-AEFFLSMTSA-N 0 3 472.681 1.427 20 0 JDADHN CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CCOCC1 ZINC001505178416 1072401763 /nfs/dbraw/zinc/40/17/63/1072401763.db2.gz BZOYFSWUVIQBDW-HXUWFJFHSA-N 0 3 493.722 1.933 20 0 JDADHN CSC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001505220639 1072425177 /nfs/dbraw/zinc/42/51/77/1072425177.db2.gz UWCXLJNXZJIPAQ-IRXDYDNUSA-N 0 3 473.713 1.246 20 0 JDADHN CSCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001505245241 1072431192 /nfs/dbraw/zinc/43/11/92/1072431192.db2.gz TUXPJEAFICQXOG-OALUTQOASA-N 0 3 498.719 1.456 20 0 JDADHN CSCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 ZINC001505255412 1072434792 /nfs/dbraw/zinc/43/47/92/1072434792.db2.gz SVCAVHYFOPKITF-KRWDZBQOSA-N 0 3 460.670 1.286 20 0 JDADHN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)C[C@H]1C(F)(F)F ZINC001505273143 1072444960 /nfs/dbraw/zinc/44/49/60/1072444960.db2.gz NUVCRMXQDINGMH-IXDOHACOSA-N 0 3 458.529 1.996 20 0 JDADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C ZINC001505277796 1072447908 /nfs/dbraw/zinc/44/79/08/1072447908.db2.gz LFGIRTJOMHLYPD-IEBWSBKVSA-N 0 3 491.637 1.834 20 0 JDADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C(=O)N2CCCC2)n1CCN(C)CC(F)(F)F ZINC001505278186 1072447978 /nfs/dbraw/zinc/44/79/78/1072447978.db2.gz ZZLUQNMAHSUMNK-QGZVFWFLSA-N 0 3 487.571 1.698 20 0 JDADHN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC001505279550 1072450402 /nfs/dbraw/zinc/45/04/02/1072450402.db2.gz LFWJXLSUYDAGOL-UYAOXDASSA-N 0 3 498.632 1.996 20 0 JDADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2ccccn2)n1CC(=O)NCC(F)F ZINC001505287473 1072467887 /nfs/dbraw/zinc/46/78/87/1072467887.db2.gz LGDIRBLXSLCNET-INIZCTEOSA-N 0 3 463.533 1.335 20 0 JDADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCCO2)n1CC(=O)NCC(F)(F)F ZINC001505287867 1072469208 /nfs/dbraw/zinc/46/92/08/1072469208.db2.gz PPNNZGVNXKHIJR-GOEBONIOSA-N 0 3 460.501 1.498 20 0 JDADHN C[C@H]1CN(c2nnc(CC3CC3)n2CCN(C)Cc2ccc(F)cc2)CCN1S(C)(=O)=O ZINC001505289263 1072472264 /nfs/dbraw/zinc/47/22/64/1072472264.db2.gz XBFXYGRDRVDCRH-KRWDZBQOSA-N 0 3 464.611 1.972 20 0 JDADHN O=C(Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1)NCC(F)(F)F ZINC001505344494 1072530241 /nfs/dbraw/zinc/53/02/41/1072530241.db2.gz DBKFTTCLKJAZAM-UHFFFAOYSA-N 0 3 467.496 1.243 20 0 JDADHN O=C(Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)CC1)NCC(F)F ZINC001505346560 1072539191 /nfs/dbraw/zinc/53/91/91/1072539191.db2.gz ZBZHTAGPGHVYRA-UHFFFAOYSA-N 0 3 484.498 1.829 20 0 JDADHN O=C(Nc1ccccn1)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCN1CCCC1 ZINC001505349708 1072550185 /nfs/dbraw/zinc/55/01/85/1072550185.db2.gz ZWCOVSBRHLTBQL-UHFFFAOYSA-N 0 3 494.522 1.916 20 0 JDADHN O=C1CC[C@H](c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCOCC(F)(F)C(F)F)N1 ZINC001505356195 1072564884 /nfs/dbraw/zinc/56/48/84/1072564884.db2.gz JSTHOHKYSJQSOR-HUUCEWRRSA-N 0 3 478.491 1.305 20 0 JDADHN CC(=O)N(C)C1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001508176370 1072938501 /nfs/dbraw/zinc/93/85/01/1072938501.db2.gz GPYGHBITWMPGHV-NRFANRHFSA-N 0 3 459.639 1.935 20 0 JDADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC(C)CC2)C1 ZINC001508183568 1072947246 /nfs/dbraw/zinc/94/72/46/1072947246.db2.gz PKAYBIHOLGQJIR-FPOVZHCZSA-N 0 3 459.639 1.939 20 0 JDADHN CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508197365 1072960452 /nfs/dbraw/zinc/96/04/52/1072960452.db2.gz QEXQTMGJAZKLAZ-PKTZIBPZSA-N 0 3 496.660 1.511 20 0 JDADHN CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508197361 1072960516 /nfs/dbraw/zinc/96/05/16/1072960516.db2.gz QEXQTMGJAZKLAZ-DHIUTWEWSA-N 0 3 496.660 1.511 20 0 JDADHN CC(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC001508219665 1072983198 /nfs/dbraw/zinc/98/31/98/1072983198.db2.gz GIYNMMDWINADDB-NHCUHLMSSA-N 0 3 480.679 1.607 20 0 JDADHN CC(=O)N1CCCN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001508227161 1072990604 /nfs/dbraw/zinc/99/06/04/1072990604.db2.gz CBBHJFGRPBYZFX-UHFFFAOYSA-N 0 3 471.581 1.730 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCC(=O)Nc3ccccc3)C[C@@H]2C)CC1 ZINC001508229065 1072992491 /nfs/dbraw/zinc/99/24/91/1072992491.db2.gz AKJNYEWVPSAPJZ-PGRDOPGGSA-N 0 3 453.591 1.994 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CC3(C(N)=O)CCCC3)C[C@@H]2C)CC1 ZINC001508230052 1072993038 /nfs/dbraw/zinc/99/30/38/1072993038.db2.gz CXWIOEWMETZUNJ-ICSRJNTNSA-N 0 3 459.639 1.826 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC3(C(N)=O)CCCC3)C[C@@H]2C)CC1 ZINC001508230044 1072993287 /nfs/dbraw/zinc/99/32/87/1072993287.db2.gz CXWIOEWMETZUNJ-AZUAARDMSA-N 0 3 459.639 1.826 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001508230515 1072993923 /nfs/dbraw/zinc/99/39/23/1072993923.db2.gz DCSPXMJGIWVWTK-TYPHKJRUSA-N 0 3 475.638 1.423 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CC[C@H]3COCCO3)C[C@@H]2C)CC1 ZINC001508230269 1072993994 /nfs/dbraw/zinc/99/39/94/1072993994.db2.gz AQHSGTRFWKTJGY-SESVDKBCSA-N 0 3 462.639 1.760 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CC[C@@H]3COCCO3)C[C@@H]2C)CC1 ZINC001508230266 1072994519 /nfs/dbraw/zinc/99/45/19/1072994519.db2.gz AQHSGTRFWKTJGY-CEWLAPEOSA-N 0 3 462.639 1.760 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3CCSCCCO)C[C@@H]2C)CC1 ZINC001508230907 1072994919 /nfs/dbraw/zinc/99/49/19/1072994919.db2.gz FDDWROCGJDJWSF-SIKLNZKXSA-N 0 3 489.690 1.778 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccn4C)n3CCC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001508230810 1072994974 /nfs/dbraw/zinc/99/49/74/1072994974.db2.gz DXMJPTBFOCGKBJ-UGKGYDQZSA-N 0 3 484.649 1.577 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccn4C)n3CCSCCCO)C[C@@H]2C)CC1 ZINC001508230912 1072995059 /nfs/dbraw/zinc/99/50/59/1072995059.db2.gz FDDWROCGJDJWSF-UGKGYDQZSA-N 0 3 489.690 1.778 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCNC(=O)c3ccn[nH]3)C[C@H]2C)CC1 ZINC001508231946 1072997491 /nfs/dbraw/zinc/99/74/91/1072997491.db2.gz JSBZXVAZDMBVHW-YLJYHZDGSA-N 0 3 485.637 1.108 20 0 JDADHN 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CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccn4)n3CCCC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001508233791 1073002531 /nfs/dbraw/zinc/00/25/31/1073002531.db2.gz RWCXIUMNSRHITK-SIKLNZKXSA-N 0 3 482.633 1.587 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCNC(=O)C(C)C)C[C@H]2C)CC1 ZINC001508233679 1073002731 /nfs/dbraw/zinc/00/27/31/1073002731.db2.gz RCMVFTUOVVFHMG-DENIHFKCSA-N 0 3 484.649 1.814 20 0 JDADHN CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H](C)C2)[C@H](C)C1 ZINC001508234444 1073004673 /nfs/dbraw/zinc/00/46/73/1073004673.db2.gz CHAIQLOYOFDLSL-QZTJIDSGSA-N 0 3 454.579 1.714 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc([C@H]4CCCO4)n3CCNC(=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001508234784 1073005237 /nfs/dbraw/zinc/00/52/37/1073005237.db2.gz VQOZFOJJNGUPKW-HLAWJBBLSA-N 0 3 489.665 1.671 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCN3CCOC(C)(C)C3)C[C@@H]2C)CC1 ZINC001508235145 1073005907 /nfs/dbraw/zinc/00/59/07/1073005907.db2.gz XDJDOJVNSXABSL-UNMCSNQZSA-N 0 3 475.682 1.891 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CC(=O)N(C)C3CCCCC3)C[C@H]2C)CC1 ZINC001508235097 1073006068 /nfs/dbraw/zinc/00/60/68/1073006068.db2.gz WTYKGYGBDAILKN-XMSQKQJNSA-N 0 3 459.639 1.757 20 0 JDADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(=O)NCC(F)F)C[C@H]2C)CC1 ZINC001508235821 1073006913 /nfs/dbraw/zinc/00/69/13/1073006913.db2.gz ZHDRWXXPBVGUHU-SJLPKXTDSA-N 0 3 483.608 1.627 20 0 JDADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CC(=O)NCC(F)F)C[C@H]2C)CC1 ZINC001508235779 1073007174 /nfs/dbraw/zinc/00/71/74/1073007174.db2.gz ZHDRWXXPBVGUHU-AEFFLSMTSA-N 0 3 483.608 1.627 20 0 JDADHN CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001508237483 1073009901 /nfs/dbraw/zinc/00/99/01/1073009901.db2.gz KXLLMXGVGGLKFP-XMMPIXPASA-N 0 3 477.654 1.013 20 0 JDADHN CC(=O)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCC2)[C@@H](C)C1 ZINC001508241924 1073015861 /nfs/dbraw/zinc/01/58/61/1073015861.db2.gz UXJMETPXNWFVSA-KRWDZBQOSA-N 0 3 474.631 1.890 20 0 JDADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001508250945 1073019797 /nfs/dbraw/zinc/01/97/97/1073019797.db2.gz GSSBWQFHISBZRZ-LJQANCHMSA-N 0 3 454.623 1.732 20 0 JDADHN CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 ZINC001508255705 1073024792 /nfs/dbraw/zinc/02/47/92/1073024792.db2.gz USRKYXGKCBMROH-UXHICEINSA-N 0 3 466.652 1.359 20 0 JDADHN CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)CC1 ZINC001508255707 1073024855 /nfs/dbraw/zinc/02/48/55/1073024855.db2.gz USRKYXGKCBMROH-WOJBJXKFSA-N 0 3 466.652 1.359 20 0 JDADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CCCN3C[C@@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508266295 1073032037 /nfs/dbraw/zinc/03/20/37/1073032037.db2.gz ATQAJVHJKBKQAJ-NNXSRULWSA-N 0 3 475.682 1.890 20 0 JDADHN CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)cn1 ZINC001508278799 1073055180 /nfs/dbraw/zinc/05/51/80/1073055180.db2.gz AANPRECFKRHXNS-NRFANRHFSA-N 0 3 497.648 1.423 20 0 JDADHN CC(=O)Nc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cn1 ZINC001508285877 1073063697 /nfs/dbraw/zinc/06/36/97/1073063697.db2.gz VPMCKDDYVHHZAX-HNNXBMFYSA-N 0 3 478.623 1.211 20 0 JDADHN CC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(C)C)CC2)cn1 ZINC001508292946 1073065322 /nfs/dbraw/zinc/06/53/22/1073065322.db2.gz FCTPRSYVYYMYHG-UHFFFAOYSA-N 0 3 454.579 1.580 20 0 JDADHN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)CC1 ZINC001508307721 1073073645 /nfs/dbraw/zinc/07/36/45/1073073645.db2.gz TUZUIPJEZITJCV-GUSVMJMASA-N 0 3 480.679 1.796 20 0 JDADHN CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001508316743 1073077697 /nfs/dbraw/zinc/07/76/97/1073077697.db2.gz MPKLETHWFHQARX-DJIMGWMZSA-N 0 3 483.664 1.358 20 0 JDADHN CC(=O)NC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1 ZINC001508338121 1073094917 /nfs/dbraw/zinc/09/49/17/1073094917.db2.gz GBANAAMPTNKWAG-IEBWSBKVSA-N 0 3 466.652 1.407 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001508347930 1073107291 /nfs/dbraw/zinc/10/72/91/1073107291.db2.gz NIDWJHVFJRTEPR-CEWLAPEOSA-N 0 3 453.591 1.885 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)C1 ZINC001508350644 1073111906 /nfs/dbraw/zinc/11/19/06/1073111906.db2.gz FHBXWOXBMDPNRX-HLAWJBBLSA-N 0 3 480.679 1.797 20 0 JDADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N2CCCC2)CCO1 ZINC001508372724 1073148471 /nfs/dbraw/zinc/14/84/71/1073148471.db2.gz VSECOMKRGKTFBH-VXKWHMMOSA-N 0 3 483.617 1.595 20 0 JDADHN CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN(C)Cc2ccc(F)cc2)CCO1 ZINC001508377992 1073168132 /nfs/dbraw/zinc/16/81/32/1073168132.db2.gz QLUYNZWFYXRTQM-UNMCSNQZSA-N 0 3 474.581 1.785 20 0 JDADHN CC(=O)NC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)CCO1 ZINC001508381999 1073179447 /nfs/dbraw/zinc/17/94/47/1073179447.db2.gz CEZCSTUIZXTHHH-CTNGQTDRSA-N 0 3 468.537 1.518 20 0 JDADHN CC(=O)NC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CCO1 ZINC001508382001 1073179494 /nfs/dbraw/zinc/17/94/94/1073179494.db2.gz CEZCSTUIZXTHHH-PZJWPPBQSA-N 0 3 468.537 1.518 20 0 JDADHN CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001508398853 1073209750 /nfs/dbraw/zinc/20/97/50/1073209750.db2.gz SGEGBSIEHRLGTP-CVDCTZTESA-N 0 3 482.633 1.169 20 0 JDADHN CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001508399998 1073210676 /nfs/dbraw/zinc/21/06/76/1073210676.db2.gz VTHPVCBQDHYSQU-GCJKJVERSA-N 0 3 487.674 1.836 20 0 JDADHN CC(=O)NCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001508408301 1073216482 /nfs/dbraw/zinc/21/64/82/1073216482.db2.gz QFAZWGYKNHCFOO-XMMPIXPASA-N 0 3 478.638 1.394 20 0 JDADHN C[C@H]([C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN(C)C1CCCCC1)S(C)(=O)=O ZINC001508439250 1073240310 /nfs/dbraw/zinc/24/03/10/1073240310.db2.gz MIAGMRBFOFXJFH-ZWKOTPCHSA-N 0 3 468.668 1.923 20 0 JDADHN 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CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCO3)n2CCOCCS(C)(=O)=O)CC1 ZINC001508614030 1073286555 /nfs/dbraw/zinc/28/65/55/1073286555.db2.gz XIYKEGVTORLEAU-GOSISDBHSA-N 0 3 457.641 1.749 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CCCO2)CC1 ZINC001508621269 1073288159 /nfs/dbraw/zinc/28/81/59/1073288159.db2.gz XZPJDJGFHDMLRO-WMZHIEFXSA-N 0 3 498.694 1.738 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)CC1 ZINC001508621151 1073288239 /nfs/dbraw/zinc/28/82/39/1073288239.db2.gz VXRPKOVMMPOBNU-OALUTQOASA-N 0 3 484.667 1.206 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001508622016 1073289361 /nfs/dbraw/zinc/28/93/61/1073289361.db2.gz GPIRIERVGIFFFU-UHFFFAOYSA-N 0 3 480.664 1.034 20 0 JDADHN CC(C)(C)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCCCO2)CC1 ZINC001508624370 1073291391 /nfs/dbraw/zinc/29/13/91/1073291391.db2.gz VDXMHAVIEDANIX-RTBURBONSA-N 0 3 484.667 1.491 20 0 JDADHN CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508660720 1073319488 /nfs/dbraw/zinc/31/94/88/1073319488.db2.gz ATDBPBYABONPTF-IBGZPJMESA-N 0 3 491.637 1.693 20 0 JDADHN CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCCC2)CCO1 ZINC001508665580 1073322971 /nfs/dbraw/zinc/32/29/71/1073322971.db2.gz DFKVLQBCGVQQJT-IBGZPJMESA-N 0 3 491.637 1.730 20 0 JDADHN CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508688064 1073335787 /nfs/dbraw/zinc/33/57/87/1073335787.db2.gz DGIGGIFDSJMVGQ-FQEVSTJZSA-N 0 3 483.679 1.934 20 0 JDADHN CC(C)(C)[S@@](=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508701141 1073343140 /nfs/dbraw/zinc/34/31/40/1073343140.db2.gz UESHBFKXCBSWTK-UMSFTDKQSA-N 0 3 487.674 1.556 20 0 JDADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C3CCOCC3)CC2)n1CCCNS(C)(=O)=O ZINC001508702213 1073343868 /nfs/dbraw/zinc/34/38/68/1073343868.db2.gz LZSOILCEVPKXKR-WOJBJXKFSA-N 0 3 498.694 1.437 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC001508768840 1073362615 /nfs/dbraw/zinc/36/26/15/1073362615.db2.gz NALRFAATDZCPTN-NHCUHLMSSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)CC1 ZINC001508770805 1073364351 /nfs/dbraw/zinc/36/43/51/1073364351.db2.gz FMMJFALQUKVAFE-LEWJYISDSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc(C3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001508770548 1073364463 /nfs/dbraw/zinc/36/44/63/1073364463.db2.gz ZYWDADBBXGKCOT-FQEVSTJZSA-N 0 3 459.639 1.793 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)CC1 ZINC001508774979 1073369222 /nfs/dbraw/zinc/36/92/22/1073369222.db2.gz WZOSQXQYOGBGCG-SFHVURJKSA-N 0 3 466.652 1.359 20 0 JDADHN CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001508823391 1073400468 /nfs/dbraw/zinc/40/04/68/1073400468.db2.gz XVMXBERTNYILPN-LJQANCHMSA-N 0 3 455.607 1.726 20 0 JDADHN CC(C)[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508846630 1073412722 /nfs/dbraw/zinc/41/27/22/1073412722.db2.gz WIKSWNKSAIKLPF-GBXCKJPGSA-N 0 3 455.607 1.414 20 0 JDADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001508957143 1073454766 /nfs/dbraw/zinc/45/47/66/1073454766.db2.gz CFUMPJQYDXHKNG-IBGZPJMESA-N 0 3 452.669 1.974 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001508995608 1073467918 /nfs/dbraw/zinc/46/79/18/1073467918.db2.gz HCLSJVLYHKZDRN-OAQYLSRUSA-N 0 3 488.658 1.737 20 0 JDADHN CC(C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCCN1CCOCC1 ZINC001509015819 1073479168 /nfs/dbraw/zinc/47/91/68/1073479168.db2.gz VVRNATKILZSOPG-HSZRJFAPSA-N 0 3 477.698 1.745 20 0 JDADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001509176002 1073518457 /nfs/dbraw/zinc/51/84/57/1073518457.db2.gz FJQYQHIXHMCVAM-HXUWFJFHSA-N 0 3 453.653 1.850 20 0 JDADHN CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001509175101 1073518590 /nfs/dbraw/zinc/51/85/90/1073518590.db2.gz HPJKTLAEAXBKDV-LEWJYISDSA-N 0 3 481.711 1.505 20 0 JDADHN CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCCn1cc(CO)nn1 ZINC001509177642 1073519709 /nfs/dbraw/zinc/51/97/09/1073519709.db2.gz UGONLZHKSIXPMU-OAQYLSRUSA-N 0 3 459.643 1.255 20 0 JDADHN CC(C)Cc1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001509188977 1073522338 /nfs/dbraw/zinc/52/23/38/1073522338.db2.gz MVNCCCXJOCURIA-PZJWPPBQSA-N 0 3 473.666 1.914 20 0 JDADHN CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCN1CCSCC1 ZINC001509200377 1073523690 /nfs/dbraw/zinc/52/36/90/1073523690.db2.gz IYQSEASXRRNAJZ-UHFFFAOYSA-N 0 3 463.696 1.660 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001509207054 1073529902 /nfs/dbraw/zinc/52/99/02/1073529902.db2.gz FBKWRMOUVMVHQM-IBGZPJMESA-N 0 3 466.652 1.044 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCOC[C@@H]1CCCO1 ZINC001509207066 1073529948 /nfs/dbraw/zinc/52/99/48/1073529948.db2.gz FKGPVPGETRTZGP-LEWJYISDSA-N 0 3 462.639 1.805 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001509207559 1073531169 /nfs/dbraw/zinc/53/11/69/1073531169.db2.gz KENMIOJRAOYLSS-FQEVSTJZSA-N 0 3 454.623 1.729 20 0 JDADHN CC(C)Cc1nnc(N2CCO[C@@H](c3cnn(C)c3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001509239148 1073544456 /nfs/dbraw/zinc/54/44/56/1073544456.db2.gz BKHDOPYQZKAWAG-NHCUHLMSSA-N 0 3 472.638 1.731 20 0 JDADHN CC(C)Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1Cc1nncn1C ZINC001509256389 1073548352 /nfs/dbraw/zinc/54/83/52/1073548352.db2.gz NKKOGIJZWIRTJQ-UHFFFAOYSA-N 0 3 451.623 1.907 20 0 JDADHN CC(C)CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001509267016 1073555900 /nfs/dbraw/zinc/55/59/00/1073555900.db2.gz WDLHTWLZULCIQH-DEOSSOPVSA-N 0 3 472.638 1.610 20 0 JDADHN CC(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001509310508 1073561504 /nfs/dbraw/zinc/56/15/04/1073561504.db2.gz IOYOLMQLSNIECF-UYAOXDASSA-N 0 3 484.667 1.347 20 0 JDADHN CC(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001509314391 1073562047 /nfs/dbraw/zinc/56/20/47/1073562047.db2.gz UMKAWYQZRLHCNX-FQEVSTJZSA-N 0 3 484.667 1.206 20 0 JDADHN CC(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001509316315 1073562699 /nfs/dbraw/zinc/56/26/99/1073562699.db2.gz YMNFKGZJGVQFEN-WOJBJXKFSA-N 0 3 452.669 1.831 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncn(-c3ccccc3)n2)CC1 ZINC001509402572 1073577132 /nfs/dbraw/zinc/57/71/32/1073577132.db2.gz AMCGBPSKQFPQTE-SFHVURJKSA-N 0 3 487.634 1.295 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001509403857 1073579901 /nfs/dbraw/zinc/57/99/01/1073579901.db2.gz INHPKFPWMZNAJT-ROUUACIJSA-N 0 3 454.641 1.408 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N(C)C)CC1=O ZINC001509404938 1073582443 /nfs/dbraw/zinc/58/24/43/1073582443.db2.gz NSIRHXLVCIQBLV-DLBZAZTESA-N 0 3 497.691 1.557 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC(N)=O)C1 ZINC001509405289 1073583249 /nfs/dbraw/zinc/58/32/49/1073583249.db2.gz CRFSNEXUPPWPBH-BZSNNMDCSA-N 0 3 454.641 1.248 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC(N)=O)C1 ZINC001509405295 1073583713 /nfs/dbraw/zinc/58/37/13/1073583713.db2.gz CRFSNEXUPPWPBH-SQNIBIBYSA-N 0 3 454.641 1.248 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001509406368 1073585688 /nfs/dbraw/zinc/58/56/88/1073585688.db2.gz UVYQEOYUFGNPSW-URXFXBBRSA-N 0 3 464.655 1.817 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001509407129 1073586754 /nfs/dbraw/zinc/58/67/54/1073586754.db2.gz XEWPHKABYDCJSH-LJQANCHMSA-N 0 3 491.662 1.325 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001509407785 1073587375 /nfs/dbraw/zinc/58/73/75/1073587375.db2.gz ZIKFPACUYKKTCM-VJBMBRPKSA-N 0 3 451.612 1.637 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001509410599 1073590026 /nfs/dbraw/zinc/59/00/26/1073590026.db2.gz RJRVMISEXFHLPH-IBGZPJMESA-N 0 3 483.608 1.648 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001509412201 1073591035 /nfs/dbraw/zinc/59/10/35/1073591035.db2.gz WNMXRKFJYPMDJH-FQEVSTJZSA-N 0 3 485.608 1.775 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1=O ZINC001509427654 1073602341 /nfs/dbraw/zinc/60/23/41/1073602341.db2.gz JRBPDSWBZQTNGY-NJYVYQBISA-N 0 3 489.665 1.418 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1=O ZINC001509428001 1073602401 /nfs/dbraw/zinc/60/24/01/1073602401.db2.gz KULUSKXCBFYROX-WOJBJXKFSA-N 0 3 480.679 1.607 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1=O ZINC001509427823 1073602582 /nfs/dbraw/zinc/60/25/82/1073602582.db2.gz KULUSKXCBFYROX-UXHICEINSA-N 0 3 480.679 1.607 20 0 JDADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1=O ZINC001509429869 1073605432 /nfs/dbraw/zinc/60/54/32/1073605432.db2.gz QHYLKUPHDXDIPS-CTNGQTDRSA-N 0 3 473.666 1.866 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001509430055 1073606536 /nfs/dbraw/zinc/60/65/36/1073606536.db2.gz OYZHEAMQPXYBME-HBMCJLEFSA-N 0 3 494.706 1.853 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1=O ZINC001509433142 1073610852 /nfs/dbraw/zinc/61/08/52/1073610852.db2.gz VMRLUIRXDYXFCA-VQTJNVASSA-N 0 3 480.679 1.605 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1=O ZINC001509433139 1073611214 /nfs/dbraw/zinc/61/12/14/1073611214.db2.gz VMRLUIRXDYXFCA-UXHICEINSA-N 0 3 480.679 1.605 20 0 JDADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC[C@H]2C)CC1 ZINC001509432659 1073612081 /nfs/dbraw/zinc/61/20/81/1073612081.db2.gz MWQHOUJMYHRDGB-LJQANCHMSA-N 0 3 475.663 1.768 20 0 JDADHN CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)CC1 ZINC001509433397 1073614050 /nfs/dbraw/zinc/61/40/50/1073614050.db2.gz OYCXTZBBPIWDON-UHFFFAOYSA-N 0 3 479.427 1.838 20 0 JDADHN CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001509468274 1073640328 /nfs/dbraw/zinc/64/03/28/1073640328.db2.gz IZDQOSQCAJJSFJ-NJYVYQBISA-N 0 3 462.639 1.976 20 0 JDADHN CC(C)CO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001509474535 1073644286 /nfs/dbraw/zinc/64/42/86/1073644286.db2.gz ZYUPKSCHNVZMIP-VQTJNVASSA-N 0 3 484.667 1.348 20 0 JDADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001509520004 1073663892 /nfs/dbraw/zinc/66/38/92/1073663892.db2.gz YZRNNISGPCGWNN-QGZVFWFLSA-N 0 3 462.576 1.330 20 0 JDADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1)C(C)C ZINC001509545764 1073672955 /nfs/dbraw/zinc/67/29/55/1073672955.db2.gz HUTBCDIGDYKMKZ-KRWDZBQOSA-N 0 3 480.601 1.983 20 0 JDADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)C(C)C ZINC001509550568 1073675981 /nfs/dbraw/zinc/67/59/81/1073675981.db2.gz YKAMMDOYNFAERZ-AZUAARDMSA-N 0 3 479.651 1.610 20 0 JDADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)C(C)C ZINC001509550578 1073676022 /nfs/dbraw/zinc/67/60/22/1073676022.db2.gz YKAMMDOYNFAERZ-UYAOXDASSA-N 0 3 479.651 1.610 20 0 JDADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1)C(C)C ZINC001509550572 1073676036 /nfs/dbraw/zinc/67/60/36/1073676036.db2.gz YKAMMDOYNFAERZ-ICSRJNTNSA-N 0 3 479.651 1.610 20 0 JDADHN CC(C)N1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001509564184 1073685642 /nfs/dbraw/zinc/68/56/42/1073685642.db2.gz SPVRVUIJICXWRL-MOPGFXCFSA-N 0 3 466.652 1.534 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509566108 1073687374 /nfs/dbraw/zinc/68/73/74/1073687374.db2.gz ZQGXMWOMLQPKHS-KSZLIROESA-N 0 3 452.625 1.363 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001509566229 1073687512 /nfs/dbraw/zinc/68/75/12/1073687512.db2.gz ZQGXMWOMLQPKHS-OKZBNKHCSA-N 0 3 452.625 1.363 20 0 JDADHN CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001509576181 1073693600 /nfs/dbraw/zinc/69/36/00/1073693600.db2.gz DEPOSZAGOCBJNN-LJQANCHMSA-N 0 3 497.629 1.273 20 0 JDADHN CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001509577626 1073695791 /nfs/dbraw/zinc/69/57/91/1073695791.db2.gz PAASGNSSOMGXEI-NRFANRHFSA-N 0 3 496.591 1.888 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4cccnc4)n3CC(=O)NCC(F)F)C2)CC1 ZINC001509578311 1073697647 /nfs/dbraw/zinc/69/76/47/1073697647.db2.gz FXDJYGZBKQQQTL-LJQANCHMSA-N 0 3 476.576 1.250 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4ccncc4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001509580437 1073701565 /nfs/dbraw/zinc/70/15/65/1073701565.db2.gz NZLJUQWRDCTKPW-OAQYLSRUSA-N 0 3 475.663 1.303 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4ccncc4)n3CC(=O)NCC(F)F)C2)CC1 ZINC001509579964 1073701792 /nfs/dbraw/zinc/70/17/92/1073701792.db2.gz MKCNSCPVDWYSBH-LJQANCHMSA-N 0 3 476.576 1.250 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4ccccn4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001509581304 1073703547 /nfs/dbraw/zinc/70/35/47/1073703547.db2.gz SRAMIPGQOMHOAB-OAQYLSRUSA-N 0 3 475.663 1.303 20 0 JDADHN CC(C)NC(=O)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC=CCC2)CC1 ZINC001509584494 1073713245 /nfs/dbraw/zinc/71/32/45/1073713245.db2.gz ZPKMFRSQTRFQEI-UHFFFAOYSA-N 0 3 483.592 1.443 20 0 JDADHN O=C1NCCN([C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)C12CNC2 ZINC001164410976 718878527 /nfs/dbraw/zinc/87/85/27/718878527.db2.gz KLDMDYXLMJWONP-FQEVSTJZSA-N 0 3 451.333 1.695 20 0 JDADHN C[C@@H]1CN(c2nc3cc(CN4CCN(C)CC4)sc3c(N3CCOCC3)n2)[C@H](C)CN1C ZINC001164633160 719229308 /nfs/dbraw/zinc/22/93/08/719229308.db2.gz DGXKKIGNZMZRKB-QZTJIDSGSA-N 0 3 459.664 1.804 20 0 JDADHN CS(=O)(=O)N1CC[C@]2(C(=O)N3CCOCC3)CCN(c3ccc(CN4CCCC4)cn3)CC[C@H]12 ZINC001164695918 719833978 /nfs/dbraw/zinc/83/39/78/719833978.db2.gz QQYDHHYUKKRLBD-XUZZJYLKSA-N 0 3 491.658 1.157 20 0 JDADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cccc(N3CCN(C)CC3)n1)C2 ZINC001164828765 720460582 /nfs/dbraw/zinc/46/05/82/720460582.db2.gz AMMGTGCSBNALMY-FQEVSTJZSA-N 0 3 455.607 1.020 20 0 JDADHN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744363 720721810 /nfs/dbraw/zinc/72/18/10/720721810.db2.gz ZNIMKVQRQYCRQC-ZIAGYGMSSA-N 0 3 458.910 1.175 20 0 JDADHN Cc1cc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164738559 720723729 /nfs/dbraw/zinc/72/37/29/720723729.db2.gz GAUXYXGSSLBQNI-IRXDYDNUSA-N 0 3 453.572 1.968 20 0 JDADHN 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Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)CCN3C2)c1 ZINC001164898120 721518532 /nfs/dbraw/zinc/51/85/32/721518532.db2.gz HVJAJPYTOWPGDW-IRLDBZIGSA-N 0 3 484.576 1.631 20 0 JDADHN CS(=O)(=O)c1c[nH]c2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c12 ZINC001164963869 722054471 /nfs/dbraw/zinc/05/44/71/722054471.db2.gz OYYVNYUJTPEWGK-UHFFFAOYSA-N 0 3 456.572 1.875 20 0 JDADHN c1cc(CN2CCOCC3(CCN(c4nc5c(c(N6CCOCC6)n4)CNC5)CC3)C2)ccn1 ZINC001164959992 722058750 /nfs/dbraw/zinc/05/87/50/722058750.db2.gz BQKJDFSJOAFIAQ-UHFFFAOYSA-N 0 3 465.602 1.430 20 0 JDADHN NC(=O)[C@H]1CCCN1c1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncn1 ZINC001164962475 722060756 /nfs/dbraw/zinc/06/07/56/722060756.db2.gz SHJZCFWKXBLJQX-HXUWFJFHSA-N 0 3 451.575 1.445 20 0 JDADHN c1cncc(CN2CCO[C@@H]3CN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)CC[C@@H]3C2)c1 ZINC001164979331 722105299 /nfs/dbraw/zinc/10/52/99/722105299.db2.gz ICBZMNMNRVSDTQ-DHIUTWEWSA-N 0 3 495.628 1.272 20 0 JDADHN c1cncc(CN2CCO[C@H]3CN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)CC[C@@H]3C2)c1 ZINC001164979338 722105388 /nfs/dbraw/zinc/10/53/88/722105388.db2.gz ICBZMNMNRVSDTQ-PKTZIBPZSA-N 0 3 495.628 1.272 20 0 JDADHN COC(=O)C1CCN(c2nccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001164980930 722129827 /nfs/dbraw/zinc/12/98/27/722129827.db2.gz NWGGELLYDJTYNB-FCHUYYIVSA-N 0 3 466.586 1.988 20 0 JDADHN COC(=O)C1CCN(c2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164984607 722131279 /nfs/dbraw/zinc/13/12/79/722131279.db2.gz XQVHHKXMUMBDEB-FCHUYYIVSA-N 0 3 466.586 1.988 20 0 JDADHN c1cncc(CN2CCO[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)CC[C@H]3C2)c1 ZINC001164985426 722137279 /nfs/dbraw/zinc/13/72/79/722137279.db2.gz ZKLBPSJODFIUCV-UGKGYDQZSA-N 0 3 451.575 1.039 20 0 JDADHN O=S(=O)(c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1)N1CCOCC1 ZINC001164980894 722140277 /nfs/dbraw/zinc/14/02/77/722140277.db2.gz NKFPAXXXERAPSV-UNMCSNQZSA-N 0 3 473.599 1.225 20 0 JDADHN O=C(c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164984245 722147931 /nfs/dbraw/zinc/14/79/31/722147931.db2.gz WVFIIYUGWXBAKQ-VXKWHMMOSA-N 0 3 485.610 1.075 20 0 JDADHN CCCN(CC)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001500788028 1069311841 /nfs/dbraw/zinc/31/18/41/1069311841.db2.gz USJXUHXFYDTJKZ-KRWDZBQOSA-N 0 3 487.630 1.547 20 0 JDADHN CCCN(CC)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001500788169 1069312059 /nfs/dbraw/zinc/31/20/59/1069312059.db2.gz XVYBDUYBLSHJLZ-MRXNPFEDSA-N 0 3 473.603 1.949 20 0 JDADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001500789976 1069313726 /nfs/dbraw/zinc/31/37/26/1069313726.db2.gz MRGAQWKXYBCXJS-NNMXDRDESA-N 0 3 469.652 1.686 20 0 JDADHN CN1CCC[C@@H](N2CCN(S(=O)(=O)N=[S@](=O)(c3ccccc3)C(F)(F)F)CC2)C1 ZINC001474966244 1069321682 /nfs/dbraw/zinc/32/16/82/1069321682.db2.gz NQSAJKCLMIACEQ-JMGYQRAPSA-N 0 3 454.540 1.990 20 0 JDADHN CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001500884973 1069322751 /nfs/dbraw/zinc/32/27/51/1069322751.db2.gz ZITVWRDRGFIAAX-GOSISDBHSA-N 0 3 462.620 1.764 20 0 JDADHN CCCN1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001500918740 1069328561 /nfs/dbraw/zinc/32/85/61/1069328561.db2.gz XOSZEJTYHXFVAW-IAGOWNOFSA-N 0 3 461.592 1.281 20 0 JDADHN CCCN1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001500918741 1069329096 /nfs/dbraw/zinc/32/90/96/1069329096.db2.gz XOSZEJTYHXFVAW-IRXDYDNUSA-N 0 3 461.592 1.281 20 0 JDADHN CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001500943580 1069336783 /nfs/dbraw/zinc/33/67/83/1069336783.db2.gz QAHCQFFUSBLKCA-MOPGFXCFSA-N 0 3 487.692 1.316 20 0 JDADHN CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001500943754 1069337760 /nfs/dbraw/zinc/33/77/60/1069337760.db2.gz SZRPWEPXABYSMK-OAQYLSRUSA-N 0 3 494.706 1.997 20 0 JDADHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 ZINC001475082723 1069353348 /nfs/dbraw/zinc/35/33/48/1069353348.db2.gz TUSVVLWQYYLCQX-PCCBWWKXSA-N 0 3 451.589 1.770 20 0 JDADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 ZINC001475099893 1069357858 /nfs/dbraw/zinc/35/78/58/1069357858.db2.gz KKDFEKZMRMBCRY-UHFFFAOYSA-N 0 3 452.346 1.201 20 0 JDADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)CC1 ZINC001475200435 1069394194 /nfs/dbraw/zinc/39/41/94/1069394194.db2.gz HDMNOZARFHWCAE-XITLMJRVSA-N 0 3 455.577 1.194 20 0 JDADHN CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001501107684 1069395635 /nfs/dbraw/zinc/39/56/35/1069395635.db2.gz CQJIXGIPZHWDJS-VQTJNVASSA-N 0 3 461.655 1.551 20 0 JDADHN CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001501144866 1069412965 /nfs/dbraw/zinc/41/29/65/1069412965.db2.gz DTWJAGDYMKULQE-SFHVURJKSA-N 0 3 461.611 1.120 20 0 JDADHN CCCNC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001501157557 1069419612 /nfs/dbraw/zinc/41/96/12/1069419612.db2.gz UQJIHEYBFCBCQK-QZTJIDSGSA-N 0 3 466.594 1.756 20 0 JDADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001475295947 1069433560 /nfs/dbraw/zinc/43/35/60/1069433560.db2.gz CPIUIIAJIWQGCZ-HBNTYKKESA-N 0 3 454.389 1.543 20 0 JDADHN CCCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001501180686 1069436438 /nfs/dbraw/zinc/43/64/38/1069436438.db2.gz NTCJUAQXUWNSML-UHFFFAOYSA-N 0 3 453.591 1.753 20 0 JDADHN CCCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501196647 1069448536 /nfs/dbraw/zinc/44/85/36/1069448536.db2.gz KELGKGIKGNTRRM-SIKLNZKXSA-N 0 3 497.644 1.859 20 0 JDADHN CCCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001501199357 1069450296 /nfs/dbraw/zinc/45/02/96/1069450296.db2.gz OBCQXENUQJGJOS-PXNSSMCTSA-N 0 3 456.595 1.178 20 0 JDADHN CCCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001501212592 1069461282 /nfs/dbraw/zinc/46/12/82/1069461282.db2.gz GWCQRRPCBATGPI-SFHVURJKSA-N 0 3 459.620 1.199 20 0 JDADHN CN1CCC(CNS(=O)(=O)c2ccc(Br)c(F)c2)(N2CCOCC2)CC1 ZINC001475390408 1069457903 /nfs/dbraw/zinc/45/79/03/1069457903.db2.gz SDZPZWJFOMSTEL-UHFFFAOYSA-N 0 3 450.374 1.663 20 0 JDADHN CCCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001501210612 1069460497 /nfs/dbraw/zinc/46/04/97/1069460497.db2.gz SYXWLWIMOXBRAN-FQEVSTJZSA-N 0 3 483.617 1.147 20 0 JDADHN CCCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501212556 1069461129 /nfs/dbraw/zinc/46/11/29/1069461129.db2.gz FZINDOLAWGPUCE-KNQAVFIVSA-N 0 3 473.666 1.916 20 0 JDADHN CCCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501212555 1069461229 /nfs/dbraw/zinc/46/12/29/1069461229.db2.gz FZINDOLAWGPUCE-DENIHFKCSA-N 0 3 473.666 1.916 20 0 JDADHN COC(=O)c1cc(S(=O)(=O)[N-]CCN(C)CCC[NH+](C)C)c(Br)cc1F ZINC001475482410 1069477835 /nfs/dbraw/zinc/47/78/35/1069477835.db2.gz CUFJBFXPDLRWFA-UHFFFAOYSA-N 0 3 454.362 1.537 20 0 JDADHN Cc1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1I ZINC001475513220 1069485540 /nfs/dbraw/zinc/48/55/40/1069485540.db2.gz KUTYTRGTZFCCDM-CQSZACIVSA-N 0 3 450.342 1.819 20 0 JDADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1=O ZINC001475589411 1069500445 /nfs/dbraw/zinc/50/04/45/1069500445.db2.gz HFOKTZWILUSLNG-AWEZNQCLSA-N 0 3 453.483 1.171 20 0 JDADHN CCN(C)C(=O)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501407597 1069513906 /nfs/dbraw/zinc/51/39/06/1069513906.db2.gz ZIMFFPHZRHNADF-SIKLNZKXSA-N 0 3 467.618 1.802 20 0 JDADHN CCN(C)C(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501407588 1069514194 /nfs/dbraw/zinc/51/41/94/1069514194.db2.gz ZIMFFPHZRHNADF-DENIHFKCSA-N 0 3 467.618 1.802 20 0 JDADHN COc1nsc(C[N-]S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)c1Br ZINC001475635365 1069510561 /nfs/dbraw/zinc/51/05/61/1069510561.db2.gz ROHFDSPQEIIVBX-UHFFFAOYSA-N 0 3 452.400 1.768 20 0 JDADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCCn2ccc(=O)[nH]c2=O)cc1 ZINC001475676114 1069521737 /nfs/dbraw/zinc/52/17/37/1069521737.db2.gz UWEDLKSGULAEAX-FCHUYYIVSA-N 0 3 468.579 1.845 20 0 JDADHN CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501426582 1069526955 /nfs/dbraw/zinc/52/69/55/1069526955.db2.gz GSJPMWJVGJJFQH-DENIHFKCSA-N 0 3 482.633 1.121 20 0 JDADHN CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001501434952 1069533787 /nfs/dbraw/zinc/53/37/87/1069533787.db2.gz PXIUWUCHRGIWMP-UHFFFAOYSA-N 0 3 486.617 1.893 20 0 JDADHN CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001501434266 1069533060 /nfs/dbraw/zinc/53/30/60/1069533060.db2.gz GHYIDGVWFXCWDP-UHFFFAOYSA-N 0 3 472.590 1.645 20 0 JDADHN CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001501498089 1069543083 /nfs/dbraw/zinc/54/30/83/1069543083.db2.gz 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CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001476217852 1069647603 /nfs/dbraw/zinc/64/76/03/1069647603.db2.gz DQLASCYSUFSYRD-APWZRJJASA-N 0 3 459.547 1.138 20 0 JDADHN CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3cccnc3)n2CCn2ccnc2C)CC1 ZINC001501779056 1069660127 /nfs/dbraw/zinc/66/01/27/1069660127.db2.gz RUBCNBNKAIFWSR-UHFFFAOYSA-N 0 3 479.633 1.850 20 0 JDADHN CN(CCNC(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)CCOCCO ZINC001476382985 1069701382 /nfs/dbraw/zinc/70/13/82/1069701382.db2.gz UNGMJAQLIASXDO-UHFFFAOYSA-N 0 3 454.572 1.517 20 0 JDADHN CCOC(=O)c1c(NC(=O)NCCN(CC)CCO)sc2c1CCN(C(=O)OCC)C2 ZINC001476402249 1069706704 /nfs/dbraw/zinc/70/67/04/1069706704.db2.gz SCYSVCQUAUHCKG-UHFFFAOYSA-N 0 3 456.565 1.875 20 0 JDADHN CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)CC)CC1 ZINC001501791659 1069710977 /nfs/dbraw/zinc/71/09/77/1069710977.db2.gz QPSHSTRTKUGDFC-MOPGFXCFSA-N 0 3 483.683 1.494 20 0 JDADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001501801780 1069730384 /nfs/dbraw/zinc/73/03/84/1069730384.db2.gz IOWHEPROXSXFBG-OALUTQOASA-N 0 3 481.667 1.248 20 0 JDADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001501802751 1069732142 /nfs/dbraw/zinc/73/21/42/1069732142.db2.gz WUJQSGJUSGJDQN-ZRNYENFQSA-N 0 3 470.684 1.456 20 0 JDADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001501802908 1069732257 /nfs/dbraw/zinc/73/22/57/1069732257.db2.gz ZUHMNSNTTYLJME-HKUYNNGSSA-N 0 3 475.663 1.934 20 0 JDADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001501802909 1069732450 /nfs/dbraw/zinc/73/24/50/1069732450.db2.gz ZUHMNSNTTYLJME-PKOBYXMFSA-N 0 3 475.663 1.934 20 0 JDADHN CCN(CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 ZINC001501808130 1069734323 /nfs/dbraw/zinc/73/43/23/1069734323.db2.gz WTPFYAWRHLEGHS-OAHLLOKOSA-N 0 3 454.622 1.235 20 0 JDADHN 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CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(C)nn2C)CC1 ZINC001501906599 1069786311 /nfs/dbraw/zinc/78/63/11/1069786311.db2.gz IWMIRMXRJHTGFY-UHFFFAOYSA-N 0 3 465.606 1.345 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001501906621 1069786513 /nfs/dbraw/zinc/78/65/13/1069786513.db2.gz JSANZWISYUUETQ-DEOSSOPVSA-N 0 3 471.606 1.060 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001501906787 1069790392 /nfs/dbraw/zinc/79/03/92/1069790392.db2.gz NWVNOHKZACSHRE-RTBURBONSA-N 0 3 475.638 1.425 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001501906785 1069789231 /nfs/dbraw/zinc/78/92/31/1069789231.db2.gz NWVNOHKZACSHRE-RBUKOAKNSA-N 0 3 475.638 1.425 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSC(C)C)CC1 ZINC001501906817 1069789728 /nfs/dbraw/zinc/78/97/28/1069789728.db2.gz ORAMTRFYBDMIPR-QGZVFWFLSA-N 0 3 451.641 1.361 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001501907055 1069791564 /nfs/dbraw/zinc/79/15/64/1069791564.db2.gz QKLYTRFNRSFZBZ-OAQYLSRUSA-N 0 3 499.635 1.913 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001501907048 1069791909 /nfs/dbraw/zinc/79/19/09/1069791909.db2.gz QIQCBLOVXHQIDP-SLFFLAALSA-N 0 3 480.679 1.607 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(C)CCCO2)CC1 ZINC001501907363 1069792363 /nfs/dbraw/zinc/79/23/63/1069792363.db2.gz UTZYDNKQOLYKDE-DEOSSOPVSA-N 0 3 455.607 1.823 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 ZINC001501907393 1069792537 /nfs/dbraw/zinc/79/25/37/1069792537.db2.gz VNVPXWWRTWMZGY-XMMPIXPASA-N 0 3 459.639 1.478 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001501907390 1069793010 /nfs/dbraw/zinc/79/30/10/1069793010.db2.gz VMQLSWPREQPWGX-IBGZPJMESA-N 0 3 480.679 1.751 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC1 ZINC001501907098 1069793746 /nfs/dbraw/zinc/79/37/46/1069793746.db2.gz RVPMWIGECUKOSP-SFHVURJKSA-N 0 3 494.687 1.589 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2Cc2cnn(C)c2)CC1 ZINC001501907275 1069793969 /nfs/dbraw/zinc/79/39/69/1069793969.db2.gz TUEGMCPGWPGVRG-UHFFFAOYSA-N 0 3 464.618 1.950 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)CC)CC1 ZINC001501907629 1069794463 /nfs/dbraw/zinc/79/44/63/1069794463.db2.gz YGGZZHWJPPCBJG-BWKNWUBXSA-N 0 3 486.617 1.942 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001501909680 1069798865 /nfs/dbraw/zinc/79/88/65/1069798865.db2.gz FSDNLHFEOOIUCR-NHCUHLMSSA-N 0 3 489.665 1.596 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001501909670 1069799101 /nfs/dbraw/zinc/79/91/01/1069799101.db2.gz FKWCTBJUQOOWEQ-UMSFTDKQSA-N 0 3 489.690 1.802 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001501907403 1069795642 /nfs/dbraw/zinc/79/56/42/1069795642.db2.gz VXSOORKIISZASV-NTKDMRAZSA-N 0 3 462.639 1.714 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001501907802 1069796627 /nfs/dbraw/zinc/79/66/27/1069796627.db2.gz ZUZMTMYVQLPXIC-IBGZPJMESA-N 0 3 477.654 1.672 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001501907662 1069797386 /nfs/dbraw/zinc/79/73/86/1069797386.db2.gz YNLPNCYUOMUUNG-WZONZLPQSA-N 0 3 476.647 1.742 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCCc2c[nH]nc2C)CC1 ZINC001501909637 1069798515 /nfs/dbraw/zinc/79/85/15/1069798515.db2.gz DJBALJOKVYRIKL-HXUWFJFHSA-N 0 3 458.611 1.784 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)OC)CC1 ZINC001501910478 1069800310 /nfs/dbraw/zinc/80/03/10/1069800310.db2.gz UOVIJLYQCBYOMD-IBGZPJMESA-N 0 3 468.606 1.542 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001501910299 1069800413 /nfs/dbraw/zinc/80/04/13/1069800413.db2.gz RDUHYOKDBOVHQV-DLBZAZTESA-N 0 3 459.620 1.841 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2=CCCOC2)CC1 ZINC001501910675 1069800699 /nfs/dbraw/zinc/80/06/99/1069800699.db2.gz XNYDQFSIQWMVHY-UNMCSNQZSA-N 0 3 476.622 1.339 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccco2)CC1 ZINC001501910723 1069800731 /nfs/dbraw/zinc/80/07/31/1069800731.db2.gz YJDNNXYTKPFAJX-UHFFFAOYSA-N 0 3 485.614 1.901 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001501910696 1069800746 /nfs/dbraw/zinc/80/07/46/1069800746.db2.gz XWDCBCPFKPBOQA-LEWJYISDSA-N 0 3 477.654 1.088 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001501910763 1069800904 /nfs/dbraw/zinc/80/09/04/1069800904.db2.gz ZVHUMHIAHASBCQ-JOCHJYFZSA-N 0 3 497.644 1.870 20 0 JDADHN 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CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001501982156 1069810956 /nfs/dbraw/zinc/81/09/56/1069810956.db2.gz CBEJQLVNLQZEPW-AEFFLSMTSA-N 0 3 454.641 1.358 20 0 JDADHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001477301301 1069811743 /nfs/dbraw/zinc/81/17/43/1069811743.db2.gz JTTLTJLKMLSVFN-SFTDATJTSA-N 0 3 450.605 1.660 20 0 JDADHN CN1CCN(CCCNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC001477316216 1069811832 /nfs/dbraw/zinc/81/18/32/1069811832.db2.gz DNMIGWKRTKBYSJ-UXHICEINSA-N 0 3 457.541 1.928 20 0 JDADHN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC001477318346 1069812134 /nfs/dbraw/zinc/81/21/34/1069812134.db2.gz MWYCWNRRTPSCEB-LJQANCHMSA-N 0 3 455.525 1.904 20 0 JDADHN CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001477318593 1069812338 /nfs/dbraw/zinc/81/23/38/1069812338.db2.gz TXZMFQRDIQCRKG-RUZDIDTESA-N 0 3 459.635 1.109 20 0 JDADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)NC[C@H](N1CCOCC1)C(F)(F)F ZINC001477318769 1069812714 /nfs/dbraw/zinc/81/27/14/1069812714.db2.gz ZJQUFLASQMHSHH-FQEVSTJZSA-N 0 3 457.541 1.757 20 0 JDADHN Cn1ccnc1[C@@](O)(CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)C(F)(F)F ZINC001477377116 1069816949 /nfs/dbraw/zinc/81/69/49/1069816949.db2.gz HUWCWMLDHIDNHX-PMACEKPBSA-N 0 3 455.481 1.496 20 0 JDADHN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@@H]1CCN1C1CCOCC1 ZINC001477461211 1069825321 /nfs/dbraw/zinc/82/53/21/1069825321.db2.gz IKJUFEHAEAOHSG-FQEVSTJZSA-N 0 3 450.605 1.914 20 0 JDADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001477473307 1069826234 /nfs/dbraw/zinc/82/62/34/1069826234.db2.gz HXMWSPSGPSFHPW-MSOLQXFVSA-N 0 3 458.650 1.967 20 0 JDADHN CCN(C[C@H]1CCCO1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 ZINC001502133051 1069826463 /nfs/dbraw/zinc/82/64/63/1069826463.db2.gz CKJPMIXZVXAOMQ-RTBURBONSA-N 0 3 470.640 1.102 20 0 JDADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NC[C@H]3CCCCN3CCO)cc2)C1 ZINC001477531506 1069830821 /nfs/dbraw/zinc/83/08/21/1069830821.db2.gz MZGLSRDFQOZMID-UYAOXDASSA-N 0 3 452.621 1.753 20 0 JDADHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCCCCN2CCN(c3ccccc3)CC2)C1=O ZINC001477537887 1069831187 /nfs/dbraw/zinc/83/11/87/1069831187.db2.gz QHYMAVHDXSGSAI-NTKDMRAZSA-N 0 3 456.591 1.609 20 0 JDADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC001477573605 1069834651 /nfs/dbraw/zinc/83/46/51/1069834651.db2.gz UMQPFEVVBYSSSF-FQEVSTJZSA-N 0 3 457.575 1.820 20 0 JDADHN CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1)S(C)(=O)=O ZINC001502183014 1069839903 /nfs/dbraw/zinc/83/99/03/1069839903.db2.gz ISVYCPUQLOYELR-OAQYLSRUSA-N 0 3 498.694 1.392 20 0 JDADHN CCN(CCCn1c(CC(C)C)nnc1N1CCN(C2CCOCC2)CC1)S(C)(=O)=O ZINC001502183578 1069842050 /nfs/dbraw/zinc/84/20/50/1069842050.db2.gz WZBXKSDZCNFMCG-UHFFFAOYSA-N 0 3 456.657 1.449 20 0 JDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC001477628265 1069839118 /nfs/dbraw/zinc/83/91/18/1069839118.db2.gz BMVVDYMENCCVIK-SFTDATJTSA-N 0 3 457.575 1.043 20 0 JDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 ZINC001477628264 1069839195 /nfs/dbraw/zinc/83/91/95/1069839195.db2.gz BMVVDYMENCCVIK-RTWAWAEBSA-N 0 3 457.575 1.043 20 0 JDADHN O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001477705577 1069846023 /nfs/dbraw/zinc/84/60/23/1069846023.db2.gz QLCXBCJHQUFVOR-SFTDATJTSA-N 0 3 450.605 1.602 20 0 JDADHN O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001477705575 1069846063 /nfs/dbraw/zinc/84/60/63/1069846063.db2.gz QLCXBCJHQUFVOR-NHCUHLMSSA-N 0 3 450.605 1.602 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001477711220 1069846988 /nfs/dbraw/zinc/84/69/88/1069846988.db2.gz YMNGEQXLQRVQHA-QZTJIDSGSA-N 0 3 453.946 1.826 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001477711219 1069847113 /nfs/dbraw/zinc/84/71/13/1069847113.db2.gz YMNGEQXLQRVQHA-MSOLQXFVSA-N 0 3 453.946 1.826 20 0 JDADHN CN(C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001477752779 1069852605 /nfs/dbraw/zinc/85/26/05/1069852605.db2.gz AEURJHHWWYHCRS-NRFANRHFSA-N 0 3 451.575 1.431 20 0 JDADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC001477725792 1069848351 /nfs/dbraw/zinc/84/83/51/1069848351.db2.gz CLHCELGZBZSZDP-AWEZNQCLSA-N 0 3 454.369 1.330 20 0 JDADHN CCN(CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)C1)CCC(F)(F)F ZINC001502189843 1069849176 /nfs/dbraw/zinc/84/91/76/1069849176.db2.gz QOHHVRHPVFBPKM-UHFFFAOYSA-N 0 3 492.510 1.474 20 0 JDADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1)CCC(F)(F)F ZINC001502194312 1069850124 /nfs/dbraw/zinc/85/01/24/1069850124.db2.gz CCFIRPFGKNKHBG-UHFFFAOYSA-N 0 3 479.511 1.609 20 0 JDADHN CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001502196681 1069852443 /nfs/dbraw/zinc/85/24/43/1069852443.db2.gz ZEPDICJJMXPIBY-QZTJIDSGSA-N 0 3 487.571 1.662 20 0 JDADHN CCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001502196682 1069852927 /nfs/dbraw/zinc/85/29/27/1069852927.db2.gz ZEPDICJJMXPIBY-ROUUACIJSA-N 0 3 487.571 1.662 20 0 JDADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CNC(=O)C2)CC1)C(C)C ZINC001502199073 1069853745 /nfs/dbraw/zinc/85/37/45/1069853745.db2.gz CUZNSPZMXXJLOA-KRWDZBQOSA-N 0 3 452.625 1.017 20 0 JDADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1)C(C)C ZINC001502199124 1069853951 /nfs/dbraw/zinc/85/39/51/1069853951.db2.gz FCVXIJVZAOLVAZ-SFHVURJKSA-N 0 3 479.626 1.771 20 0 JDADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1)C(C)C ZINC001502199398 1069854717 /nfs/dbraw/zinc/85/47/17/1069854717.db2.gz KFBVLFXJKGCTJP-OALUTQOASA-N 0 3 457.641 1.541 20 0 JDADHN C[C@H](NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001477767021 1069855143 /nfs/dbraw/zinc/85/51/43/1069855143.db2.gz IPUSGMWKQDLRSJ-LQWHRVPQSA-N 0 3 451.637 1.665 20 0 JDADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1)C(C)C ZINC001502199620 1069855162 /nfs/dbraw/zinc/85/51/62/1069855162.db2.gz POOADEHYPSNHHL-IBGZPJMESA-N 0 3 464.640 1.419 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)C(C)C ZINC001502199598 1069855198 /nfs/dbraw/zinc/85/51/98/1069855198.db2.gz OTNJLXLNRAHOIK-RTBURBONSA-N 0 3 468.668 1.604 20 0 JDADHN CCOc1ccc(N2CCN(C(=O)NCc3cccc(CN4CCN(C)CC4)c3)CC2)nn1 ZINC001477770969 1069855571 /nfs/dbraw/zinc/85/55/71/1069855571.db2.gz CLLRLLYHHINISY-UHFFFAOYSA-N 0 3 453.591 1.655 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1)C(C)C ZINC001502200101 1069856696 /nfs/dbraw/zinc/85/66/96/1069856696.db2.gz ZIFHBBJWGYFYCG-QGZVFWFLSA-N 0 3 480.601 1.985 20 0 JDADHN CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC001477844527 1069867739 /nfs/dbraw/zinc/86/77/39/1069867739.db2.gz VOBRYLXRTHHOKF-DEOSSOPVSA-N 0 3 452.640 1.715 20 0 JDADHN CCN(CCS(C)(=O)=O)c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)CCCC1 ZINC001502212963 1069869724 /nfs/dbraw/zinc/86/97/24/1069869724.db2.gz PEPLPJAIBCOWBZ-UHFFFAOYSA-N 0 3 451.641 1.885 20 0 JDADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)CC1 ZINC001477886507 1069872144 /nfs/dbraw/zinc/87/21/44/1069872144.db2.gz GFXXDAWNFBSLHJ-IFMALSPDSA-N 0 3 459.635 1.890 20 0 JDADHN COc1ccc(S(=O)(=O)N2CCC(CNC(=O)N3CCCN(C)CC3)CC2)cc1OC ZINC001477894899 1069872983 /nfs/dbraw/zinc/87/29/83/1069872983.db2.gz HJTAXKPNJTZCTF-UHFFFAOYSA-N 0 3 454.593 1.452 20 0 JDADHN O=C(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001478072638 1069894399 /nfs/dbraw/zinc/89/43/99/1069894399.db2.gz AGTLVYOFQBBWCT-UHFFFAOYSA-N 0 3 455.603 1.417 20 0 JDADHN CCCS(=O)(=O)N1CCC(NC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC001478124672 1069899128 /nfs/dbraw/zinc/89/91/28/1069899128.db2.gz WWLZVQGJMQBUIC-UHFFFAOYSA-N 0 3 452.621 1.647 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(OC)c2)C[C@H]1C ZINC001502243594 1069912199 /nfs/dbraw/zinc/91/21/99/1069912199.db2.gz YECBQUYLEFNFSX-RTBURBONSA-N 0 3 483.617 1.872 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001502243593 1069912340 /nfs/dbraw/zinc/91/23/40/1069912340.db2.gz YECBQUYLEFNFSX-RBUKOAKNSA-N 0 3 483.617 1.872 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)C[C@@H]1C ZINC001502243362 1069912870 /nfs/dbraw/zinc/91/28/70/1069912870.db2.gz TUNZRGWIBLOAHC-GBESFXJTSA-N 0 3 483.608 1.789 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCNC(=O)Cc2cccc(F)c2)C[C@H]1C ZINC001502243633 1069913171 /nfs/dbraw/zinc/91/31/71/1069913171.db2.gz ZNGYSNCAJHIGFB-MSOLQXFVSA-N 0 3 473.597 1.833 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001502243967 1069913452 /nfs/dbraw/zinc/91/34/52/1069913452.db2.gz ADSFVSYVZPCCFA-ACTFIFLWSA-N 0 3 482.626 1.854 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001502243970 1069913686 /nfs/dbraw/zinc/91/36/86/1069913686.db2.gz ADSFVSYVZPCCFA-VLMPBXDWSA-N 0 3 482.626 1.854 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001502244255 1069914414 /nfs/dbraw/zinc/91/44/14/1069914414.db2.gz DPDPKPSHQUCQRP-CVEARBPZSA-N 0 3 463.546 1.387 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001502244370 1069915080 /nfs/dbraw/zinc/91/50/80/1069915080.db2.gz FXAJWQVVLCNEJK-VUHPKUFZSA-N 0 3 469.656 1.066 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCC2)C[C@H]1C ZINC001502244372 1069916102 /nfs/dbraw/zinc/91/61/02/1069916102.db2.gz FXVZPWWGVMPDFX-FGTMMUONSA-N 0 3 469.656 1.210 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(COC)CCOCC2)C[C@H]1C ZINC001502244902 1069917797 /nfs/dbraw/zinc/91/77/97/1069917797.db2.gz MMLIGIGRFZOLIH-SQNIBIBYSA-N 0 3 472.656 1.250 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001502244854 1069918168 /nfs/dbraw/zinc/91/81/68/1069918168.db2.gz LXZRSHAKRJPHAQ-IXDOHACOSA-N 0 3 464.640 1.317 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC23CCOCC3)C[C@H]1C ZINC001502244978 1069918273 /nfs/dbraw/zinc/91/82/73/1069918273.db2.gz NLFLRYOGYSITCZ-VSZNYVQBSA-N 0 3 454.641 1.624 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCC2)C[C@H]1C ZINC001502244374 1069919195 /nfs/dbraw/zinc/91/91/95/1069919195.db2.gz FXVZPWWGVMPDFX-SQNIBIBYSA-N 0 3 469.656 1.210 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCc3ccccc32)C[C@H]1C ZINC001502244852 1069919279 /nfs/dbraw/zinc/91/92/79/1069919279.db2.gz LVENOFFWTIAZTN-YDSTWLSQSA-N 0 3 476.647 1.641 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccccc2)C[C@H]1C ZINC001502245386 1069919768 /nfs/dbraw/zinc/91/97/68/1069919768.db2.gz SHISDPUVOPSHQY-SQNIBIBYSA-N 0 3 450.609 1.886 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccccc2)C[C@H]1C ZINC001502245384 1069921385 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CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)CC1 ZINC001502310003 1070070612 /nfs/dbraw/zinc/07/06/12/1070070612.db2.gz QUGKYQFXKZDUBU-MSOLQXFVSA-N 0 3 491.662 1.183 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 ZINC001502309434 1070067265 /nfs/dbraw/zinc/06/72/65/1070067265.db2.gz FMHHYONDLAQCQJ-LJQANCHMSA-N 0 3 484.649 1.969 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001502309492 1070067456 /nfs/dbraw/zinc/06/74/56/1070067456.db2.gz GKSIUMCASISWLB-MHORFTMASA-N 0 3 491.653 1.642 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2C)CC1 ZINC001502309656 1070067877 /nfs/dbraw/zinc/06/78/77/1070067877.db2.gz KGMQRNMSDQIRRO-VQTJNVASSA-N 0 3 477.679 1.859 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cscn2)CC1 ZINC001502310324 1070072385 /nfs/dbraw/zinc/07/23/85/1070072385.db2.gz XJFNXCCQLDZQLO-HOTGVXAUSA-N 0 3 470.669 1.007 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001502310422 1070073244 /nfs/dbraw/zinc/07/32/44/1070073244.db2.gz ZEKNMXOIQPINPY-IRXDYDNUSA-N 0 3 499.632 1.829 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001502310420 1070073629 /nfs/dbraw/zinc/07/36/29/1070073629.db2.gz ZEKNMXOIQPINPY-DLBZAZTESA-N 0 3 499.632 1.829 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502310671 1070074170 /nfs/dbraw/zinc/07/41/70/1070074170.db2.gz DPULZGFMUDHECK-IBGZPJMESA-N 0 3 491.662 1.061 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCOCC2)CC1 ZINC001502310529 1070074338 /nfs/dbraw/zinc/07/43/38/1070074338.db2.gz AZWWXLPVHVHLSH-HNNXBMFYSA-N 0 3 452.401 1.898 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001502310111 1070071596 /nfs/dbraw/zinc/07/15/96/1070071596.db2.gz SLIOJEAWDNAPHB-IPMKNSEASA-N 0 3 455.673 1.541 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502311128 1070078423 /nfs/dbraw/zinc/07/84/23/1070078423.db2.gz NATUATDYQQMJGS-JKSUJKDBSA-N 0 3 495.470 1.772 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502311333 1070079247 /nfs/dbraw/zinc/07/92/47/1070079247.db2.gz QPRLPQLRGUVOBV-IRXDYDNUSA-N 0 3 461.014 1.686 20 0 JDADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C2)CC1 ZINC001479005784 1070079426 /nfs/dbraw/zinc/07/94/26/1070079426.db2.gz WPFDNVHXEBTOCF-UXHICEINSA-N 0 3 451.612 1.576 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502311092 1070076854 /nfs/dbraw/zinc/07/68/54/1070076854.db2.gz MOPLNPQAUCMFGP-OALUTQOASA-N 0 3 485.633 1.655 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502312677 1070084283 /nfs/dbraw/zinc/08/42/83/1070084283.db2.gz QDQXHEHVXLEBLO-IBGZPJMESA-N 0 3 487.624 1.842 20 0 JDADHN CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001502311894 1070081916 /nfs/dbraw/zinc/08/19/16/1070081916.db2.gz AZSXYRSLPQWXCM-HXUWFJFHSA-N 0 3 471.654 1.883 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502311979 1070082034 /nfs/dbraw/zinc/08/20/34/1070082034.db2.gz CDPFTZMJOXSODO-FDFHNCONSA-N 0 3 470.666 1.912 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001502312641 1070084486 /nfs/dbraw/zinc/08/44/86/1070084486.db2.gz PTHOLXZIXPTDFE-PMACEKPBSA-N 0 3 475.663 1.441 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001502311850 1070082393 /nfs/dbraw/zinc/08/23/93/1070082393.db2.gz ADKFXMDOPWSEOI-HXUWFJFHSA-N 0 3 456.639 1.883 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC001502312229 1070082590 /nfs/dbraw/zinc/08/25/90/1070082590.db2.gz IRZDXSNUWNBRNH-FQEVSTJZSA-N 0 3 485.681 1.788 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001502312362 1070083124 /nfs/dbraw/zinc/08/31/24/1070083124.db2.gz KSASDQGBIBLFAS-NVXWUHKLSA-N 0 3 454.501 1.529 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502312478 1070083844 /nfs/dbraw/zinc/08/38/44/1070083844.db2.gz MYUJZIZXNWTABU-HXUWFJFHSA-N 0 3 459.614 1.879 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC001502313066 1070086219 /nfs/dbraw/zinc/08/62/19/1070086219.db2.gz XLZGLUJMDXZCHV-BHDDXSALSA-N 0 3 498.676 1.734 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC001502313635 1070089016 /nfs/dbraw/zinc/08/90/16/1070089016.db2.gz IHPSJCWCDYXEJV-FQEVSTJZSA-N 0 3 471.654 1.628 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001502313552 1070089061 /nfs/dbraw/zinc/08/90/61/1070089061.db2.gz GLMFHHJYSKHZKO-OALUTQOASA-N 0 3 473.588 1.882 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502313217 1070086541 /nfs/dbraw/zinc/08/65/41/1070086541.db2.gz AFZXYBOATPCKLL-FQEVSTJZSA-N 0 3 487.624 1.329 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502313174 1070087102 /nfs/dbraw/zinc/08/71/02/1070087102.db2.gz ZAJSUBJOZOEPGH-LJQANCHMSA-N 0 3 455.607 1.648 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502313218 1070087333 /nfs/dbraw/zinc/08/73/33/1070087333.db2.gz AFZXYBOATPCKLL-HXUWFJFHSA-N 0 3 487.624 1.329 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC001502313636 1070089182 /nfs/dbraw/zinc/08/91/82/1070089182.db2.gz IHPSJCWCDYXEJV-HXUWFJFHSA-N 0 3 471.654 1.628 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001502313841 1070090950 /nfs/dbraw/zinc/09/09/50/1070090950.db2.gz LCDLJWYXYODKIR-SIKLNZKXSA-N 0 3 485.633 1.777 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001502313842 1070091025 /nfs/dbraw/zinc/09/10/25/1070091025.db2.gz LCDLJWYXYODKIR-UGKGYDQZSA-N 0 3 485.633 1.777 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502313747 1070091099 /nfs/dbraw/zinc/09/10/99/1070091099.db2.gz KARBJXMPXQAMJY-OFNKIYASSA-N 0 3 499.660 1.245 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502314123 1070091430 /nfs/dbraw/zinc/09/14/30/1070091430.db2.gz PZKAXHVYABBBRP-RBUKOAKNSA-N 0 3 457.598 1.701 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502314129 1070091485 /nfs/dbraw/zinc/09/14/85/1070091485.db2.gz QCKRESYNYXRACC-NRFANRHFSA-N 0 3 456.639 1.058 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502314281 1070091991 /nfs/dbraw/zinc/09/19/91/1070091991.db2.gz SEJDHHNHGPSEPB-RTWAWAEBSA-N 0 3 453.635 1.870 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502314254 1070092187 /nfs/dbraw/zinc/09/21/87/1070092187.db2.gz RSRCPJNVTSMTIY-SYYKKAFVSA-N 0 3 488.608 1.394 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502314253 1070092312 /nfs/dbraw/zinc/09/23/12/1070092312.db2.gz RSRCPJNVTSMTIY-CZTZKLFOSA-N 0 3 488.608 1.394 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001502314259 1070092365 /nfs/dbraw/zinc/09/23/65/1070092365.db2.gz RXDSVMZLHRBGRB-IBGZPJMESA-N 0 3 467.684 1.433 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001502314193 1070092769 /nfs/dbraw/zinc/09/27/69/1070092769.db2.gz QWVVMMKNDTVVKQ-WMTXJRDZSA-N 0 3 488.725 1.491 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502314842 1070095180 /nfs/dbraw/zinc/09/51/80/1070095180.db2.gz BXQMKMKIAQJMRR-SFTDATJTSA-N 0 3 469.634 1.812 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC001502314672 1070095283 /nfs/dbraw/zinc/09/52/83/1070095283.db2.gz YTWLJQNVQHXPLB-OAQYLSRUSA-N 0 3 468.650 1.860 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502314795 1070095618 /nfs/dbraw/zinc/09/56/18/1070095618.db2.gz BDWWPNIUVHLBFC-LEWJYISDSA-N 0 3 499.660 1.854 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502314840 1070096132 /nfs/dbraw/zinc/09/61/32/1070096132.db2.gz BXQMKMKIAQJMRR-NHCUHLMSSA-N 0 3 469.634 1.812 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cnccn2)CC1 ZINC001502315231 1070098994 /nfs/dbraw/zinc/09/89/94/1070098994.db2.gz JOOBTSCSHAXTOR-GOSISDBHSA-N 0 3 483.646 1.722 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502315264 1070099155 /nfs/dbraw/zinc/09/91/55/1070099155.db2.gz KFDHKOGEAZPNAZ-QFIPXVFZSA-N 0 3 499.660 1.487 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502315085 1070098341 /nfs/dbraw/zinc/09/83/41/1070098341.db2.gz HBFGIYRLMWSBTN-NRFANRHFSA-N 0 3 469.634 1.860 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315268 1070099550 /nfs/dbraw/zinc/09/95/50/1070099550.db2.gz KHIXFZYDRMQPCV-UNMCSNQZSA-N 0 3 483.661 1.800 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502315265 1070099772 /nfs/dbraw/zinc/09/97/72/1070099772.db2.gz KHIXFZYDRMQPCV-IFMALSPDSA-N 0 3 483.661 1.800 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502315543 1070102605 /nfs/dbraw/zinc/10/26/05/1070102605.db2.gz PVMIUQXRMFFBGH-FQEVSTJZSA-N 0 3 471.654 1.258 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502315531 1070102798 /nfs/dbraw/zinc/10/27/98/1070102798.db2.gz PRQFZYKSHJLULU-LEWJYISDSA-N 0 3 483.661 1.765 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502315665 1070104421 /nfs/dbraw/zinc/10/44/21/1070104421.db2.gz SGSLYISRMIPKLO-CJFMBICVSA-N 0 3 469.634 1.893 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502315630 1070104586 /nfs/dbraw/zinc/10/45/86/1070104586.db2.gz RMIPDEAWRVCPJV-WOJBJXKFSA-N 0 3 455.607 1.237 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502315806 1070105478 /nfs/dbraw/zinc/10/54/78/1070105478.db2.gz VEGFMCAEQJJHAL-GGAORHGYSA-N 0 3 485.681 1.470 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502315921 1070107558 /nfs/dbraw/zinc/10/75/58/1070107558.db2.gz WSUZAJNZBCNHRL-DLBZAZTESA-N 0 3 460.652 1.327 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001502315890 1070107975 /nfs/dbraw/zinc/10/79/75/1070107975.db2.gz WFEDKBLFBKGHTR-QYZOEREBSA-N 0 3 475.663 1.909 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502315930 1070108411 /nfs/dbraw/zinc/10/84/11/1070108411.db2.gz WTGPVMMPGHRNPZ-TZIWHRDSSA-N 0 3 454.623 1.382 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001502315965 1070109508 /nfs/dbraw/zinc/10/95/08/1070109508.db2.gz XHFAUBDYDTUAFZ-KRWDZBQOSA-N 0 3 460.652 1.828 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502316040 1070109844 /nfs/dbraw/zinc/10/98/44/1070109844.db2.gz YMBWYHXKYOSZQB-SFHVURJKSA-N 0 3 461.636 1.845 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502316055 1070110211 /nfs/dbraw/zinc/11/02/11/1070110211.db2.gz YSFWBTYYKQOKTK-NRFANRHFSA-N 0 3 497.692 1.920 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001502316468 1070113692 /nfs/dbraw/zinc/11/36/92/1070113692.db2.gz JWTWTANAAGUDLS-FYQPLNBISA-N 0 3 452.669 1.970 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(CCOC(C)C)CC2)CC1 ZINC001502316603 1070115144 /nfs/dbraw/zinc/11/51/44/1070115144.db2.gz MVSLXIMMCWASNH-FGZHOGPDSA-N 0 3 463.671 1.703 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(N3CC(C)(OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502316741 1070116311 /nfs/dbraw/zinc/11/63/11/1070116311.db2.gz PXQOPBVCTVJDQR-WMZHIEFXSA-N 0 3 450.628 1.570 20 0 JDADHN CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001502318199 1070126433 /nfs/dbraw/zinc/12/64/33/1070126433.db2.gz WGNIKYQSZLGBBL-VQTJNVASSA-N 0 3 470.622 1.813 20 0 JDADHN CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001546226027 1070152307 /nfs/dbraw/zinc/15/23/07/1070152307.db2.gz BUAAPRURXWUICT-KRWDZBQOSA-N 0 3 454.518 1.304 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc([C@@H](C)OCCOC)n3Cc3ccc(C)nc3)C2)CC1 ZINC001502333281 1070176055 /nfs/dbraw/zinc/17/60/55/1070176055.db2.gz FNZBXMYEGYPWDT-IRLDBZIGSA-N 0 3 457.623 1.970 20 0 JDADHN 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CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCC(C)(C)O)C2)CC1 ZINC001502334541 1070187531 /nfs/dbraw/zinc/18/75/31/1070187531.db2.gz KIUGCQOFQDQSSP-FQEVSTJZSA-N 0 3 490.674 1.726 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCCOCC(F)F)C2)CC1 ZINC001502334731 1070188385 /nfs/dbraw/zinc/18/83/85/1070188385.db2.gz PHBWZWSXJBJVOA-QGZVFWFLSA-N 0 3 450.538 1.623 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@H](COC)OC)C2)CC1 ZINC001502334762 1070188968 /nfs/dbraw/zinc/18/89/68/1070188968.db2.gz QCIJLHDHACIFMG-OALUTQOASA-N 0 3 464.014 1.871 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccn4C)n3CCCCCS(C)(=O)=O)C2)CC1 ZINC001502334861 1070190663 /nfs/dbraw/zinc/19/06/63/1070190663.db2.gz UALQSWPTTNFQSB-HXUWFJFHSA-N 0 3 477.679 1.715 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCCOC4)n3CCCCCS(C)(=O)=O)C2)CC1 ZINC001502335015 1070191871 /nfs/dbraw/zinc/19/18/71/1070191871.db2.gz YCRKEAYRXAHNFV-NHCUHLMSSA-N 0 3 482.695 1.603 20 0 JDADHN Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001493050916 1070193162 /nfs/dbraw/zinc/19/31/62/1070193162.db2.gz CHQHDUFYAROKCI-ZBFHGGJFSA-N 0 3 481.623 1.231 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(CC4CCCC4)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001502335114 1070194106 /nfs/dbraw/zinc/19/41/06/1070194106.db2.gz AMWAFGUIAXXIQU-OAQYLSRUSA-N 0 3 481.711 1.555 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001502335498 1070196090 /nfs/dbraw/zinc/19/60/90/1070196090.db2.gz KLIZTSZPVIPCQI-QPPBQGQZSA-N 0 3 458.655 1.763 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCCOC4)n3CCSCCCO)C2)CC1 ZINC001502335547 1070196514 /nfs/dbraw/zinc/19/65/14/1070196514.db2.gz LHGDTCWYSVODDN-UXHICEINSA-N 0 3 452.669 1.504 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCOC4)n3CCCN(C)CC(F)(F)F)C2)CC1 ZINC001502335783 1070197502 /nfs/dbraw/zinc/19/75/02/1070197502.db2.gz QRUOBVYGPWMHPF-OALUTQOASA-N 0 3 473.588 1.882 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCOC4)n3CCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001502336115 1070199572 /nfs/dbraw/zinc/19/95/72/1070199572.db2.gz VMUCLUNQADIISO-PMACEKPBSA-N 0 3 477.654 1.865 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4F)n3CCNC(=O)C(C)C)C2)CC1 ZINC001502336339 1070200274 /nfs/dbraw/zinc/20/02/74/1070200274.db2.gz YCRHYINRNMLOMM-NRFANRHFSA-N 0 3 471.625 1.996 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C3CCOCC3)C2)CC1 ZINC001502337459 1070205177 /nfs/dbraw/zinc/20/51/77/1070205177.db2.gz IFGNBXJBWZATRG-RBBKRZOGSA-N 0 3 475.682 1.943 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001502337484 1070206167 /nfs/dbraw/zinc/20/61/67/1070206167.db2.gz IXJHQHMECZDYFF-JQVVWYNYSA-N 0 3 485.699 1.167 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502337617 1070208271 /nfs/dbraw/zinc/20/82/71/1070208271.db2.gz LIEQLAVNEMGHMA-SLFFLAALSA-N 0 3 486.621 1.049 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001502338141 1070211097 /nfs/dbraw/zinc/21/10/97/1070211097.db2.gz RTJDCQNONNFJII-VQTJNVASSA-N 0 3 461.655 1.791 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001502338177 1070211479 /nfs/dbraw/zinc/21/14/79/1070211479.db2.gz SEMXNEOCIOXVCE-IBGZPJMESA-N 0 3 490.674 1.805 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(Cn3cccn3)CC2)CC1 ZINC001502338300 1070213463 /nfs/dbraw/zinc/21/34/63/1070213463.db2.gz URMJGYSMDFCFTB-NRFANRHFSA-N 0 3 485.681 1.803 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001502338233 1070214466 /nfs/dbraw/zinc/21/44/66/1070214466.db2.gz SPQMFVPTPSBOAE-SXWKCWPCSA-N 0 3 499.726 1.557 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001502338479 1070215930 /nfs/dbraw/zinc/21/59/30/1070215930.db2.gz WKFSRXAHWKYSTM-BURNTYAHSA-N 0 3 497.710 1.167 20 0 JDADHN CCN(C1CCN(c2nnc(C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1)S(C)(=O)=O ZINC001502338793 1070216900 /nfs/dbraw/zinc/21/69/00/1070216900.db2.gz ZTTCKQKBNOHPBC-SFHVURJKSA-N 0 3 455.673 1.110 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(CNC(=O)c3cnn(C)c3)CC2)CC1 ZINC001502338819 1070218164 /nfs/dbraw/zinc/21/81/64/1070218164.db2.gz ZYBRTJSOHIWNEQ-LJQANCHMSA-N 0 3 471.654 1.240 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001502343103 1070235019 /nfs/dbraw/zinc/23/50/19/1070235019.db2.gz JRQIAJOIBWLJAO-LEWJYISDSA-N 0 3 488.681 1.198 20 0 JDADHN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001493181667 1070239909 /nfs/dbraw/zinc/23/99/09/1070239909.db2.gz YZBVNQDIMGCYAV-QRVBRYPASA-N 0 3 461.611 1.129 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502343784 1070243335 /nfs/dbraw/zinc/24/33/35/1070243335.db2.gz UTXSXCDPTSKMRW-NHCUHLMSSA-N 0 3 490.697 1.686 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001502343584 1070242022 /nfs/dbraw/zinc/24/20/22/1070242022.db2.gz QMVJABKSXZMVGM-HXUWFJFHSA-N 0 3 469.634 1.927 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502343783 1070242826 /nfs/dbraw/zinc/24/28/26/1070242826.db2.gz UTXSXCDPTSKMRW-LEWJYISDSA-N 0 3 490.697 1.686 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502343815 1070243084 /nfs/dbraw/zinc/24/30/84/1070243084.db2.gz VAICCXHVGDNRAH-VXKWHMMOSA-N 0 3 463.671 1.214 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502343816 1070246336 /nfs/dbraw/zinc/24/63/36/1070246336.db2.gz VAICCXHVGDNRAH-YADHBBJMSA-N 0 3 463.671 1.214 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502343851 1070246602 /nfs/dbraw/zinc/24/66/02/1070246602.db2.gz VUFHXEJOSLPEJY-AZUAARDMSA-N 0 3 457.598 1.593 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502343914 1070246991 /nfs/dbraw/zinc/24/69/91/1070246991.db2.gz WQYWSZVEWRMPCX-DENIHFKCSA-N 0 3 487.624 1.233 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502343880 1070247078 /nfs/dbraw/zinc/24/70/78/1070247078.db2.gz WBYJVDOQZZBPRQ-YADHBBJMSA-N 0 3 475.682 1.750 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001502343875 1070245800 /nfs/dbraw/zinc/24/58/00/1070245800.db2.gz VZJUEWPBISUKFF-IBGZPJMESA-N 0 3 481.711 1.679 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502343916 1070249375 /nfs/dbraw/zinc/24/93/75/1070249375.db2.gz WQYWSZVEWRMPCX-KNQAVFIVSA-N 0 3 487.624 1.233 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001502345572 1070249870 /nfs/dbraw/zinc/24/98/70/1070249870.db2.gz CLBKNDOHTIOPOD-RXVVDRJESA-N 0 3 472.638 1.413 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502346059 1070253970 /nfs/dbraw/zinc/25/39/70/1070253970.db2.gz IOVQXSUUPRBCDB-URXFXBBRSA-N 0 3 482.677 1.842 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502345584 1070250880 /nfs/dbraw/zinc/25/08/80/1070250880.db2.gz CPTZTSIACOXCFU-GAJHUEQPSA-N 0 3 474.679 1.609 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001502345958 1070251798 /nfs/dbraw/zinc/25/17/98/1070251798.db2.gz HVQCKJGMWLZINB-SCPDWHHUSA-N 0 3 491.681 1.333 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502345616 1070252463 /nfs/dbraw/zinc/25/24/63/1070252463.db2.gz DLWHQFVRWUQIHY-NRFANRHFSA-N 0 3 469.634 1.452 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502346887 1070259089 /nfs/dbraw/zinc/25/90/89/1070259089.db2.gz PRGYLPWTHDUWED-GOSISDBHSA-N 0 3 490.678 1.796 20 0 JDADHN 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485.699 1.091 20 0 JDADHN CCOCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCC1(O)CCOCC1 ZINC001503060746 1071016309 /nfs/dbraw/zinc/01/63/09/1071016309.db2.gz LZFLTDWSRQZWFI-FQEVSTJZSA-N 0 3 450.628 1.351 20 0 JDADHN COc1ccc(F)cc1CN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC2)CC1 ZINC001504293195 1071020445 /nfs/dbraw/zinc/02/04/45/1071020445.db2.gz SYCZVMFPZZIQAV-UHFFFAOYSA-N 0 3 473.597 1.982 20 0 JDADHN COc1ccc(OC)c(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001504298197 1071024946 /nfs/dbraw/zinc/02/49/46/1071024946.db2.gz JREGVALRJKEOMU-HXUWFJFHSA-N 0 3 499.616 1.225 20 0 JDADHN COc1ccc(OC)c(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001504298196 1071025198 /nfs/dbraw/zinc/02/51/98/1071025198.db2.gz JREGVALRJKEOMU-FQEVSTJZSA-N 0 3 499.616 1.225 20 0 JDADHN CCOCc1nnc(N2CCC[C@H]2c2nncn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001503089224 1071035412 /nfs/dbraw/zinc/03/54/12/1071035412.db2.gz DMFXAFGDUUNLFI-ZWKOTPCHSA-N 0 3 459.599 1.227 20 0 JDADHN COc1ccc(OCc2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CC(=O)N(C)C)cc1 ZINC001504311724 1071042391 /nfs/dbraw/zinc/04/23/91/1071042391.db2.gz LINCODMGQJABQN-GOSISDBHSA-N 0 3 458.563 1.112 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001503099148 1071044764 /nfs/dbraw/zinc/04/47/64/1071044764.db2.gz ITGFWVXHUSQERP-UHFFFAOYSA-N 0 3 483.617 1.815 20 0 JDADHN COc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC001504320131 1071053380 /nfs/dbraw/zinc/05/33/80/1071053380.db2.gz LEYJKNMKCRFRJT-LJQANCHMSA-N 0 3 499.616 1.013 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCNC(=O)c1cccc(C)c1 ZINC001503100271 1071049733 /nfs/dbraw/zinc/04/97/33/1071049733.db2.gz ZTCPZIQMXAPTMA-UHFFFAOYSA-N 0 3 483.617 1.297 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)OCC)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503100729 1071050893 /nfs/dbraw/zinc/05/08/93/1071050893.db2.gz JFPXOQGCFXWINI-LJQANCHMSA-N 0 3 451.616 1.367 20 0 JDADHN COc1cccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C)C(=O)C2)N(C)C)c1 ZINC001504324688 1071059198 /nfs/dbraw/zinc/05/91/98/1071059198.db2.gz GZCGLGOJOWSQEZ-NRFANRHFSA-N 0 3 466.590 1.730 20 0 JDADHN COc1cccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001504322652 1071057295 /nfs/dbraw/zinc/05/72/95/1071057295.db2.gz QBHJKONMYBSMMF-LJQANCHMSA-N 0 3 469.590 1.588 20 0 JDADHN COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)N(C)C)c1 ZINC001504324836 1071059282 /nfs/dbraw/zinc/05/92/82/1071059282.db2.gz LSQVRALWKUOGKE-NRFANRHFSA-N 0 3 457.623 1.923 20 0 JDADHN COc1cccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCNC(=O)CC2)N(C)C)c1 ZINC001504324438 1071058930 /nfs/dbraw/zinc/05/89/30/1071058930.db2.gz DKPABTFDIFDEHQ-IBGZPJMESA-N 0 3 497.625 1.907 20 0 JDADHN COc1cccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(N(C)C(C)=O)CC2)N(C)C)c1 ZINC001504324944 1071059006 /nfs/dbraw/zinc/05/90/06/1071059006.db2.gz NLZQRBNJQQDARZ-FCHUYYIVSA-N 0 3 483.617 1.988 20 0 JDADHN COc1cccc([C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)OC)N2CCCC2)c1 ZINC001504324513 1071059056 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COc1ccccc1[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC(N)=O)N1CCCC1 ZINC001504369262 1071102913 /nfs/dbraw/zinc/10/29/13/1071102913.db2.gz KZIGDXKTVPXZJW-NEWSRXKRSA-N 0 3 469.590 1.775 20 0 JDADHN COc1ccccc1-c1nnc(N(C)CCCS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001504377919 1071111965 /nfs/dbraw/zinc/11/19/65/1071111965.db2.gz SYWZZCPZXIAHOT-UHFFFAOYSA-N 0 3 478.663 1.851 20 0 JDADHN COc1ccccc1-c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCNC(=O)C(C)C ZINC001504388862 1071123139 /nfs/dbraw/zinc/12/31/39/1071123139.db2.gz YGUVHSLGVFZRNS-IBGZPJMESA-N 0 3 456.591 1.884 20 0 JDADHN COc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001504385497 1071118466 /nfs/dbraw/zinc/11/84/66/1071118466.db2.gz PLAQBJXCCPJNDA-UHFFFAOYSA-N 0 3 477.631 1.814 20 0 JDADHN CCOCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCN1CCN(C)C(C)(C)C1 ZINC001503189159 1071135692 /nfs/dbraw/zinc/13/56/92/1071135692.db2.gz JUTXYNRALVCGLW-UHFFFAOYSA-N 0 3 482.633 1.691 20 0 JDADHN COc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CCC(=O)N1CCOCC1 ZINC001504410213 1071155044 /nfs/dbraw/zinc/15/50/44/1071155044.db2.gz MMNSPYFMTHLURN-UHFFFAOYSA-N 0 3 470.618 1.904 20 0 JDADHN COc1ccccc1Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)OC ZINC001504413094 1071163339 /nfs/dbraw/zinc/16/33/39/1071163339.db2.gz QGYWKZHJTSNYMR-LJQANCHMSA-N 0 3 456.591 1.657 20 0 JDADHN CCOCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503215760 1071164753 /nfs/dbraw/zinc/16/47/53/1071164753.db2.gz JEIUZQCGCYAGTI-OYRHEFFESA-N 0 3 477.654 1.172 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@@H]2C)C[C@H]1CC ZINC001503219797 1071173234 /nfs/dbraw/zinc/17/32/34/1071173234.db2.gz QFAAMRJPUOGPRZ-LEWJYISDSA-N 0 3 459.639 1.941 20 0 JDADHN CCOCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001503222678 1071184096 /nfs/dbraw/zinc/18/40/96/1071184096.db2.gz IGFWKHDJWXUXAM-FCHUYYIVSA-N 0 3 463.671 1.357 20 0 JDADHN CCS(=O)(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001503230573 1071200965 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/nfs/dbraw/zinc/28/31/16/1071283116.db2.gz BFOUBRAQRPMHSE-IPMKNSEASA-N 0 3 469.652 1.278 20 0 JDADHN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC[C@@H]1C ZINC001504519629 1071295938 /nfs/dbraw/zinc/29/59/38/1071295938.db2.gz JAUVSBGIILGARU-VLCRHTCISA-N 0 3 486.665 1.944 20 0 JDADHN CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503259376 1071305195 /nfs/dbraw/zinc/30/51/95/1071305195.db2.gz ZAFJFMBTNUUUNY-SFHVURJKSA-N 0 3 480.660 1.108 20 0 JDADHN COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCSCC3)CCCC2)CC1 ZINC001504532389 1071323687 /nfs/dbraw/zinc/32/36/87/1071323687.db2.gz XFYWBLPAXLRJIN-UHFFFAOYSA-N 0 3 493.678 1.073 20 0 JDADHN COCC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001504536029 1071338803 /nfs/dbraw/zinc/33/88/03/1071338803.db2.gz ZUMKESXYXBJRPI-UYAOXDASSA-N 0 3 460.554 1.519 20 0 JDADHN COCC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001504536586 1071341210 /nfs/dbraw/zinc/34/12/10/1071341210.db2.gz MLTKYBRSDFBJGB-HXUWFJFHSA-N 0 3 468.537 1.472 20 0 JDADHN COCC(=O)NC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)CC1 ZINC001504540368 1071360550 /nfs/dbraw/zinc/36/05/50/1071360550.db2.gz JDTKGYQKAMBSIY-RBUKOAKNSA-N 0 3 496.678 1.176 20 0 JDADHN COCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001504540930 1071364034 /nfs/dbraw/zinc/36/40/34/1071364034.db2.gz QEKGGJPMFNYPNL-FPOVZHCZSA-N 0 3 456.591 1.816 20 0 JDADHN COCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001504540931 1071364234 /nfs/dbraw/zinc/36/42/34/1071364234.db2.gz QEKGGJPMFNYPNL-PZJWPPBQSA-N 0 3 456.591 1.816 20 0 JDADHN COCC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001504541865 1071369251 /nfs/dbraw/zinc/36/92/51/1071369251.db2.gz VOIGQQFKMMBLDM-SFHVURJKSA-N 0 3 489.646 1.496 20 0 JDADHN COCC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001504541864 1071369396 /nfs/dbraw/zinc/36/93/96/1071369396.db2.gz VOIGQQFKMMBLDM-GOSISDBHSA-N 0 3 489.646 1.496 20 0 JDADHN CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503273461 1071374670 /nfs/dbraw/zinc/37/46/70/1071374670.db2.gz JUCVDAJDIPRFQD-QGZVFWFLSA-N 0 3 498.053 1.481 20 0 JDADHN COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504556473 1071379203 /nfs/dbraw/zinc/37/92/03/1071379203.db2.gz LCRPDKRCGXOHKA-HBFSDRIKSA-N 0 3 463.627 1.078 20 0 JDADHN COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504556477 1071379879 /nfs/dbraw/zinc/37/98/79/1071379879.db2.gz LCRPDKRCGXOHKA-WSTZPKSXSA-N 0 3 463.627 1.078 20 0 JDADHN CCS(=O)(=O)NCCCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503276732 1071391365 /nfs/dbraw/zinc/39/13/65/1071391365.db2.gz FTFANPLEFNWNTJ-TZIWHRDSSA-N 0 3 497.710 1.185 20 0 JDADHN COC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1)OC ZINC001504577920 1071399789 /nfs/dbraw/zinc/39/97/89/1071399789.db2.gz GVNAUMVRECKMLV-IRLDBZIGSA-N 0 3 486.617 1.967 20 0 JDADHN COC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001504582606 1071409105 /nfs/dbraw/zinc/40/91/05/1071409105.db2.gz YAGALLRXIPUILW-KRWDZBQOSA-N 0 3 483.411 1.998 20 0 JDADHN COC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001504589091 1071426848 /nfs/dbraw/zinc/42/68/48/1071426848.db2.gz MWXNCGGAVMSNGU-NHCUHLMSSA-N 0 3 486.617 1.282 20 0 JDADHN COC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001504589090 1071427428 /nfs/dbraw/zinc/42/74/28/1071427428.db2.gz MWXNCGGAVMSNGU-LEWJYISDSA-N 0 3 486.617 1.282 20 0 JDADHN COC[C@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504594919 1071440202 /nfs/dbraw/zinc/44/02/02/1071440202.db2.gz PVXNJWJTCVBWJZ-WIYYLYMNSA-N 0 3 490.580 1.690 20 0 JDADHN CCS(=O)(=O)NCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CCCC2)CC1 ZINC001503283714 1071447491 /nfs/dbraw/zinc/44/74/91/1071447491.db2.gz WGEZDFFQSXZBDM-UHFFFAOYSA-N 0 3 492.646 1.966 20 0 JDADHN CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503283696 1071447630 /nfs/dbraw/zinc/44/76/30/1071447630.db2.gz VYSXPKVNEVTLOJ-UHFFFAOYSA-N 0 3 456.016 1.853 20 0 JDADHN COC[C@H](F)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001504607647 1071462965 /nfs/dbraw/zinc/46/29/65/1071462965.db2.gz IQFWOEQAHQLXCW-OFNKIYASSA-N 0 3 469.602 1.852 20 0 JDADHN CCS(=O)(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503285488 1071468223 /nfs/dbraw/zinc/46/82/23/1071468223.db2.gz JJECYEWBLNPJHE-WOJBJXKFSA-N 0 3 498.694 1.437 20 0 JDADHN COC[C@@H](F)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001504612966 1071472759 /nfs/dbraw/zinc/47/27/59/1071472759.db2.gz JWNUZCIZJJLVMU-BURNTYAHSA-N 0 3 468.618 1.591 20 0 JDADHN COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)cs1 ZINC001504653455 1071513870 /nfs/dbraw/zinc/51/38/70/1071513870.db2.gz CPSCTIHXAKCJGB-MRXNPFEDSA-N 0 3 463.608 1.226 20 0 JDADHN CC[S@@](=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503301309 1071520386 /nfs/dbraw/zinc/52/03/86/1071520386.db2.gz QZANDFLHBIWVCA-GSTQUKTASA-N 0 3 472.659 1.689 20 0 JDADHN CC[S@@](=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503302222 1071522468 /nfs/dbraw/zinc/52/24/68/1071522468.db2.gz WCPQCFQANQTDNI-MGBGTMOVSA-N 0 3 476.622 1.521 20 0 JDADHN COC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001504673462 1071531777 /nfs/dbraw/zinc/53/17/77/1071531777.db2.gz VKGKJNFXZUTUNA-IBGZPJMESA-N 0 3 470.622 1.814 20 0 JDADHN COC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001504691948 1071548188 /nfs/dbraw/zinc/54/81/88/1071548188.db2.gz HRBFAUZFAUHZSZ-IBGZPJMESA-N 0 3 490.674 1.847 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CCc2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001503357594 1071559825 /nfs/dbraw/zinc/55/98/25/1071559825.db2.gz NIVKYIYXIDLEJG-LVXARBLLSA-N 0 3 481.645 1.708 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCSCC1 ZINC001503357799 1071561179 /nfs/dbraw/zinc/56/11/79/1071561179.db2.gz OFOWTVRGXFOINB-KRWDZBQOSA-N 0 3 491.687 1.766 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001503357972 1071562529 /nfs/dbraw/zinc/56/25/29/1071562529.db2.gz CGEMESCXAQKDHE-FPOVZHCZSA-N 0 3 482.633 1.298 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1C(C)(C)C ZINC001503358077 1071563377 /nfs/dbraw/zinc/56/33/77/1071563377.db2.gz QBGSQCDAANDRLO-IBGZPJMESA-N 0 3 473.666 1.967 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCCC(C)(C)C1 ZINC001503358188 1071564227 /nfs/dbraw/zinc/56/42/27/1071564227.db2.gz RQYDICIYJWWSMA-LJQANCHMSA-N 0 3 459.639 1.970 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001503358208 1071564582 /nfs/dbraw/zinc/56/45/82/1071564582.db2.gz SGYLWBLVOBQWCM-MOPGFXCFSA-N 0 3 495.550 1.974 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001503358373 1071566231 /nfs/dbraw/zinc/56/62/31/1071566231.db2.gz UXKBXYRPXIXJDF-ZWKOTPCHSA-N 0 3 499.582 1.678 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CC(F)C1 ZINC001503358454 1071566323 /nfs/dbraw/zinc/56/63/23/1071566323.db2.gz HPTVNBXSDGFPEE-CTWPCTMYSA-N 0 3 463.602 1.641 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001503359181 1071568969 /nfs/dbraw/zinc/56/89/69/1071568969.db2.gz KBOVZLHMESTMLE-SFTDATJTSA-N 0 3 455.607 1.679 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N(C)Cc1cnn(C)c1 ZINC001503359437 1071569579 /nfs/dbraw/zinc/56/95/79/1071569579.db2.gz LXZMSLGQMGSQCN-OAQYLSRUSA-N 0 3 465.606 1.577 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001503359619 1071570655 /nfs/dbraw/zinc/57/06/55/1071570655.db2.gz MJLDWVKAGCVBGS-FQEVSTJZSA-N 0 3 471.581 1.229 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001503359441 1071570037 /nfs/dbraw/zinc/57/00/37/1071570037.db2.gz LZPFLWIMZSJQHU-LJQANCHMSA-N 0 3 497.710 1.281 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001503361301 1071575816 /nfs/dbraw/zinc/57/58/16/1071575816.db2.gz UTVPWRYBUFDKJU-MOPGFXCFSA-N 0 3 489.024 1.857 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1 ZINC001503361494 1071576383 /nfs/dbraw/zinc/57/63/83/1071576383.db2.gz VPORLGPDISCKPS-WOJBJXKFSA-N 0 3 453.591 1.808 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1 ZINC001503361493 1071576461 /nfs/dbraw/zinc/57/64/61/1071576461.db2.gz VPORLGPDISCKPS-VQTJNVASSA-N 0 3 453.591 1.808 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1 ZINC001503361492 1071576612 /nfs/dbraw/zinc/57/66/12/1071576612.db2.gz VPORLGPDISCKPS-UXHICEINSA-N 0 3 453.591 1.808 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccc2F)nnc1N1CCNC(=O)CC1 ZINC001503361584 1071577368 /nfs/dbraw/zinc/57/73/68/1071577368.db2.gz WUOSWUYPJUJKSG-HXUWFJFHSA-N 0 3 471.581 1.277 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccccc2F)nnc1N1CCNC(=O)CC1 ZINC001503361582 1071577714 /nfs/dbraw/zinc/57/77/14/1071577714.db2.gz WUOSWUYPJUJKSG-FQEVSTJZSA-N 0 3 471.581 1.277 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC001504725166 1071591463 /nfs/dbraw/zinc/59/14/63/1071591463.db2.gz KEINSYPHQPTCNZ-ANULTFPQSA-N 0 3 478.638 1.703 20 0 JDADHN CN(C)C(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503367921 1071596109 /nfs/dbraw/zinc/59/61/09/1071596109.db2.gz MDGFIMPGACSPOU-UHFFFAOYSA-N 0 3 474.009 1.821 20 0 JDADHN CN(C)C(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503368100 1071596771 /nfs/dbraw/zinc/59/67/71/1071596771.db2.gz TUHBXUAVOWGPDS-NRFANRHFSA-N 0 3 467.618 1.284 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001504728385 1071596940 /nfs/dbraw/zinc/59/69/40/1071596940.db2.gz WRQYTFXFKIKTRF-ZCNNSNEGSA-N 0 3 458.563 1.392 20 0 JDADHN COC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CCO1 ZINC001504725506 1071592769 /nfs/dbraw/zinc/59/27/69/1071592769.db2.gz CCNVAVKOWOUHML-QZTJIDSGSA-N 0 3 455.625 1.296 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)C[C@H](C)O1 ZINC001504730129 1071599906 /nfs/dbraw/zinc/59/99/06/1071599906.db2.gz PVAXMKRZCUTCDB-NRDMVMEKSA-N 0 3 483.679 1.931 20 0 JDADHN CN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001503370896 1071603381 /nfs/dbraw/zinc/60/33/81/1071603381.db2.gz CJMLQDINWHVCGZ-UHFFFAOYSA-N 0 3 460.604 1.501 20 0 JDADHN CN(C)C(=O)Cn1c(COc2ccccc2F)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001503374159 1071611106 /nfs/dbraw/zinc/61/11/06/1071611106.db2.gz NKPYKRFZDHCRRT-UHFFFAOYSA-N 0 3 484.580 1.882 20 0 JDADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)O[C@H](COC)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504738314 1071615694 /nfs/dbraw/zinc/61/56/94/1071615694.db2.gz DPKHPRQMEGXTGF-ANULTFPQSA-N 0 3 480.654 1.268 20 0 JDADHN COCCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001504745719 1071622876 /nfs/dbraw/zinc/62/28/76/1071622876.db2.gz RYNROMGRUOZBBP-IBGZPJMESA-N 0 3 486.683 1.452 20 0 JDADHN CN(C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1)c1ccc(F)cc1 ZINC001503380438 1071636054 /nfs/dbraw/zinc/63/60/54/1071636054.db2.gz HLYCFAFSXZWEOP-PMACEKPBSA-N 0 3 478.594 1.819 20 0 JDADHN CN(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC001503381144 1071636771 /nfs/dbraw/zinc/63/67/71/1071636771.db2.gz KZMLFEAVLQNNRU-NRFANRHFSA-N 0 3 469.615 1.648 20 0 JDADHN CN(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1cccc(F)c1 ZINC001503381441 1071636795 /nfs/dbraw/zinc/63/67/95/1071636795.db2.gz BTLNHBHGLYZLKJ-QUCCMNQESA-N 0 3 480.610 1.696 20 0 JDADHN CN(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1cccc(F)c1 ZINC001503381434 1071636922 /nfs/dbraw/zinc/63/69/22/1071636922.db2.gz BTLNHBHGLYZLKJ-AZUAARDMSA-N 0 3 480.610 1.696 20 0 JDADHN CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC001503383727 1071639717 /nfs/dbraw/zinc/63/97/17/1071639717.db2.gz WBWICEHFHGDLGK-IEBWSBKVSA-N 0 3 457.554 1.544 20 0 JDADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC001503383726 1071639874 /nfs/dbraw/zinc/63/98/74/1071639874.db2.gz WBWICEHFHGDLGK-HKUYNNGSSA-N 0 3 457.554 1.544 20 0 JDADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC001503383728 1071639912 /nfs/dbraw/zinc/63/99/12/1071639912.db2.gz WBWICEHFHGDLGK-MJGOQNOKSA-N 0 3 457.554 1.544 20 0 JDADHN CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC001503383860 1071640616 /nfs/dbraw/zinc/64/06/16/1071640616.db2.gz WZOOZHVVDVKHGS-HXUWFJFHSA-N 0 3 488.593 1.649 20 0 JDADHN CN(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1)c1cccs1 ZINC001503384600 1071641991 /nfs/dbraw/zinc/64/19/91/1071641991.db2.gz XFFKKXIXFXPKEW-ZACQAIPSSA-N 0 3 484.648 1.201 20 0 JDADHN CN(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1cccs1 ZINC001503386318 1071643985 /nfs/dbraw/zinc/64/39/85/1071643985.db2.gz IXWZXTAQZCZYLI-IAGOWNOFSA-N 0 3 468.649 1.966 20 0 JDADHN COCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001504756929 1071646182 /nfs/dbraw/zinc/64/61/82/1071646182.db2.gz ZLKUIJOLFRCDIT-DEOSSOPVSA-N 0 3 458.607 1.985 20 0 JDADHN CN(C)CC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001503392338 1071652121 /nfs/dbraw/zinc/65/21/21/1071652121.db2.gz URHNZVLHSBHKIJ-KRWDZBQOSA-N 0 3 462.620 1.638 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001503399286 1071659262 /nfs/dbraw/zinc/65/92/62/1071659262.db2.gz OKVGJIRCDWDESC-MSOLQXFVSA-N 0 3 462.620 1.821 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001503401188 1071662770 /nfs/dbraw/zinc/66/27/70/1071662770.db2.gz XYJDQUZICJLOJC-IKGGRYGDSA-N 0 3 452.625 1.015 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001503400496 1071661564 /nfs/dbraw/zinc/66/15/64/1071661564.db2.gz UIQLIUBEUNTTRV-ROUUACIJSA-N 0 3 482.695 1.899 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001503401190 1071663439 /nfs/dbraw/zinc/66/34/39/1071663439.db2.gz XYJDQUZICJLOJC-ZACQAIPSSA-N 0 3 452.625 1.015 20 0 JDADHN COCCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504793136 1071675739 /nfs/dbraw/zinc/67/57/39/1071675739.db2.gz MEJBUUQSNJCTKF-NRFANRHFSA-N 0 3 455.607 1.823 20 0 JDADHN CN(C)S(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503406297 1071679417 /nfs/dbraw/zinc/67/94/17/1071679417.db2.gz AYDQZGZSYIRHPJ-UHFFFAOYSA-N 0 3 483.664 1.082 20 0 JDADHN CN(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503406773 1071682134 /nfs/dbraw/zinc/68/21/34/1071682134.db2.gz CORPKARCVMFEGV-IBGZPJMESA-N 0 3 478.619 1.603 20 0 JDADHN CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCN2CC=CCC2)c1 ZINC001503408206 1071689686 /nfs/dbraw/zinc/68/96/86/1071689686.db2.gz BTUBAGNKMNYROQ-LJQANCHMSA-N 0 3 487.630 1.159 20 0 JDADHN COCCCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001504816397 1071692256 /nfs/dbraw/zinc/69/22/56/1071692256.db2.gz BSIVOIKOYQSGJI-RTBURBONSA-N 0 3 496.678 1.524 20 0 JDADHN COCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504818620 1071700654 /nfs/dbraw/zinc/70/06/54/1071700654.db2.gz HWVSBQMEOKHYNU-KRWDZBQOSA-N 0 3 494.438 1.825 20 0 JDADHN CN(C)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001503416604 1071704901 /nfs/dbraw/zinc/70/49/01/1071704901.db2.gz UNOSAJLPVDRPLR-INIZCTEOSA-N 0 3 469.011 1.728 20 0 JDADHN COCCCN(c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001504820942 1071706945 /nfs/dbraw/zinc/70/69/45/1071706945.db2.gz YWYCEUSJTQIJTE-SFHVURJKSA-N 0 3 480.635 1.414 20 0 JDADHN COCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001504825230 1071710601 /nfs/dbraw/zinc/71/06/01/1071710601.db2.gz VDNZTNLHFJVJDV-GOSISDBHSA-N 0 3 463.604 1.544 20 0 JDADHN COCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504828728 1071711719 /nfs/dbraw/zinc/71/17/19/1071711719.db2.gz KWSGSSXNEMPOIC-FQEVSTJZSA-N 0 3 456.591 1.657 20 0 JDADHN COCCCn1c(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001504833956 1071728845 /nfs/dbraw/zinc/72/88/45/1071728845.db2.gz OJYSZKMVERCVKM-XTJBDQBJSA-N 0 3 492.665 1.734 20 0 JDADHN COCCCOC1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001504836367 1071735663 /nfs/dbraw/zinc/73/56/63/1071735663.db2.gz ALCWHXUJJDHLNX-UHFFFAOYSA-N 0 3 472.638 1.783 20 0 JDADHN CN(C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCCC2)CC1)S(C)(=O)=O ZINC001503436094 1071734151 /nfs/dbraw/zinc/73/41/51/1071734151.db2.gz HFLNEMDTJQGZPP-LJQANCHMSA-N 0 3 454.641 1.866 20 0 JDADHN CN(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1)c1cccs1 ZINC001503437935 1071744565 /nfs/dbraw/zinc/74/45/65/1071744565.db2.gz ODXZIWICINJXAN-SFHVURJKSA-N 0 3 455.588 2.000 20 0 JDADHN COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001504850692 1071749431 /nfs/dbraw/zinc/74/94/31/1071749431.db2.gz KSRPMKWCFVTRRL-LJQANCHMSA-N 0 3 470.684 1.459 20 0 JDADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001504853459 1071758040 /nfs/dbraw/zinc/75/80/40/1071758040.db2.gz BQKRRTAGAFYZSH-MRXNPFEDSA-N 0 3 478.610 1.872 20 0 JDADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 ZINC001504853498 1071758369 /nfs/dbraw/zinc/75/83/69/1071758369.db2.gz CKADFLCWXQLFOE-OAHLLOKOSA-N 0 3 454.572 1.168 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001504857068 1071773191 /nfs/dbraw/zinc/77/31/91/1071773191.db2.gz JNVGSYMLJLRLII-ICSRJNTNSA-N 0 3 475.638 1.282 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001504856660 1071770935 /nfs/dbraw/zinc/77/09/35/1071770935.db2.gz DOBHWJOYJXYJRZ-PKOBYXMFSA-N 0 3 459.570 1.662 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 ZINC001504856618 1071771208 /nfs/dbraw/zinc/77/12/08/1071771208.db2.gz CIETZKZPBHLWSM-GOSISDBHSA-N 0 3 479.626 1.297 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001504856750 1071772107 /nfs/dbraw/zinc/77/21/07/1071772107.db2.gz BFHWPGUOUWFRIW-UHFFFAOYSA-N 0 3 472.544 1.842 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001504857895 1071779318 /nfs/dbraw/zinc/77/93/18/1071779318.db2.gz RKRONQRLMXTWRI-FQEVSTJZSA-N 0 3 474.581 1.852 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001504857069 1071774165 /nfs/dbraw/zinc/77/41/65/1071774165.db2.gz JNVGSYMLJLRLII-QUCCMNQESA-N 0 3 475.638 1.282 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001504857307 1071774824 /nfs/dbraw/zinc/77/48/24/1071774824.db2.gz MHXQKHROMXXJBA-MOPGFXCFSA-N 0 3 484.605 1.366 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001504857324 1071775544 /nfs/dbraw/zinc/77/55/44/1071775544.db2.gz JWUJYTJNGFTGPW-IBGZPJMESA-N 0 3 460.554 1.462 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001504857504 1071776026 /nfs/dbraw/zinc/77/60/26/1071776026.db2.gz MKZJRFIFGLOSBO-ZWKOTPCHSA-N 0 3 452.600 1.806 20 0 JDADHN COCCN(C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001504857344 1071776264 /nfs/dbraw/zinc/77/62/64/1071776264.db2.gz MKQFAVKKDHTING-IRXDYDNUSA-N 0 3 471.562 1.412 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001504857502 1071776456 /nfs/dbraw/zinc/77/64/56/1071776456.db2.gz OPGWCCFCXIFXJA-SFHVURJKSA-N 0 3 451.616 1.728 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001504857529 1071776542 /nfs/dbraw/zinc/77/65/42/1071776542.db2.gz PCZSTGPEXKVCBX-INIZCTEOSA-N 0 3 484.527 1.864 20 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COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001504858392 1071782843 /nfs/dbraw/zinc/78/28/43/1071782843.db2.gz YAEHDJBEONQPCF-HNNXBMFYSA-N 0 3 457.501 1.986 20 0 JDADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001504858364 1071783552 /nfs/dbraw/zinc/78/35/52/1071783552.db2.gz AVJWLPWDAYFFKW-SFHVURJKSA-N 0 3 479.626 1.472 20 0 JDADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001504858923 1071785698 /nfs/dbraw/zinc/78/56/98/1071785698.db2.gz NOMWKWOCHLPTHX-OAHLLOKOSA-N 0 3 476.525 1.615 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001504858919 1071784646 /nfs/dbraw/zinc/78/46/46/1071784646.db2.gz NMECIQWFGZPHPT-DVECYGJZSA-N 0 3 459.591 1.840 20 0 JDADHN COCCN(C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCn2nc(C)nc2C1 ZINC001504859121 1071786169 /nfs/dbraw/zinc/78/61/69/1071786169.db2.gz TULNJCRFBRQWLW-UHFFFAOYSA-N 0 3 454.579 1.972 20 0 JDADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001504858956 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CCN1CCN(c2ccc(F)cc2[C@@H](C)NCC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC001473340630 1069126677 /nfs/dbraw/zinc/12/66/77/1069126677.db2.gz JMBQYAODABFSHO-LJQANCHMSA-N 0 3 455.582 1.757 20 0 JDADHN CCN1C[C@H](C)N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C[C@H]1C ZINC001473342082 1069126870 /nfs/dbraw/zinc/12/68/70/1069126870.db2.gz LTYPSVRBQUDRQF-SJORKVTESA-N 0 3 454.593 1.069 20 0 JDADHN CCCC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)C1 ZINC001499924730 1069128249 /nfs/dbraw/zinc/12/82/49/1069128249.db2.gz MPMJPDOSAVVVPB-MOPGFXCFSA-N 0 3 482.695 1.901 20 0 JDADHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001473352182 1069129861 /nfs/dbraw/zinc/12/98/61/1069129861.db2.gz YUVLJERBMPSRNF-LAUBAEHRSA-N 0 3 450.561 1.807 20 0 JDADHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001473352183 1069129949 /nfs/dbraw/zinc/12/99/49/1069129949.db2.gz YUVLJERBMPSRNF-UTKZUKDTSA-N 0 3 450.561 1.807 20 0 JDADHN COC(=O)c1cn([C@@H]2CCCN(CC(=O)N3CCCN(Cc4ccccc4C)CC3)C2)nn1 ZINC001473355099 1069130603 /nfs/dbraw/zinc/13/06/03/1069130603.db2.gz PDVSTWGYSRUFEV-OAQYLSRUSA-N 0 3 454.575 1.745 20 0 JDADHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC001473360672 1069130651 /nfs/dbraw/zinc/13/06/51/1069130651.db2.gz BZTXUBMFRCYBIS-IAGOWNOFSA-N 0 3 452.577 1.442 20 0 JDADHN CCC[C@]1(CO)CCCN1CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001473437940 1069149488 /nfs/dbraw/zinc/14/94/88/1069149488.db2.gz HDFNVLHXNCUUEA-JOCHJYFZSA-N 0 3 453.605 1.898 20 0 JDADHN CCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001499970297 1069156905 /nfs/dbraw/zinc/15/69/05/1069156905.db2.gz NTYPLCCVYWUCNH-ZJCBTPCYSA-N 0 3 489.665 1.331 20 0 JDADHN CCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001499970294 1069156982 /nfs/dbraw/zinc/15/69/82/1069156982.db2.gz NTYPLCCVYWUCNH-HWHXTQLESA-N 0 3 489.665 1.331 20 0 JDADHN CCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001499982419 1069163349 /nfs/dbraw/zinc/16/33/49/1069163349.db2.gz UHFKUZPKTXJNMX-AZXNSQLWSA-N 0 3 478.638 1.296 20 0 JDADHN CCC[C@H](C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001499994421 1069173195 /nfs/dbraw/zinc/17/31/95/1069173195.db2.gz PZOBCYMLPLTFPP-PMACEKPBSA-N 0 3 475.638 1.079 20 0 JDADHN CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC001473525736 1069175496 /nfs/dbraw/zinc/17/54/96/1069175496.db2.gz FJLBVJXRCQKFEH-IPMKNSEASA-N 0 3 456.630 1.881 20 0 JDADHN CCC[C@H](C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001499996510 1069178627 /nfs/dbraw/zinc/17/86/27/1069178627.db2.gz RGIBIGQSTKOUDR-RBBKRZOGSA-N 0 3 496.660 1.559 20 0 JDADHN CC1CCC2(CC1)NC(=O)N(NC(=O)CNC1(CC(=O)OC(C)(C)C)CCOCC1)C2=O ZINC001473576140 1069185284 /nfs/dbraw/zinc/18/52/84/1069185284.db2.gz SMCNMRAQQOQCSN-UHFFFAOYSA-N 0 3 452.552 1.389 20 0 JDADHN CC(C)Cn1c(N)c(C(=O)CN(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC001473578954 1069185440 /nfs/dbraw/zinc/18/54/40/1069185440.db2.gz VMBKAYRTDZZGHD-HXUWFJFHSA-N 0 3 455.603 1.953 20 0 JDADHN CCC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001500135581 1069204308 /nfs/dbraw/zinc/20/43/08/1069204308.db2.gz JDZSDKAYWNFONY-RTWAWAEBSA-N 0 3 455.607 1.822 20 0 JDADHN O=C(CCN1CCC(N2CCOC2=O)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001473669878 1069204401 /nfs/dbraw/zinc/20/44/01/1069204401.db2.gz XOIWADSLVDLIGH-UHFFFAOYSA-N 0 3 450.561 1.716 20 0 JDADHN CC(C)[C@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCN1C ZINC001473729915 1069216356 /nfs/dbraw/zinc/21/63/56/1069216356.db2.gz ZJPAGXPQNBYULH-GOSISDBHSA-N 0 3 459.012 1.571 20 0 JDADHN COC(=O)C1=C(C)O[C@H](CN2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 ZINC001473744492 1069218430 /nfs/dbraw/zinc/21/84/30/1069218430.db2.gz YHUXGSMEKGECBK-ONIAQPFYSA-N 0 3 451.520 1.737 20 0 JDADHN 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COc1ccc(C[C@@](C)(CO)NCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC ZINC001473840084 1069230802 /nfs/dbraw/zinc/23/08/02/1069230802.db2.gz PXFWWJYKVCCEAH-NRFANRHFSA-N 0 3 451.545 1.181 20 0 JDADHN CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCN(CC)CC2)CCO1 ZINC001500280230 1069231985 /nfs/dbraw/zinc/23/19/85/1069231985.db2.gz WFNDNYFCLOGTJF-RTWAWAEBSA-N 0 3 461.655 1.679 20 0 JDADHN CCC[C@H]1CN(c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CCN1CCOC ZINC001500279607 1069232290 /nfs/dbraw/zinc/23/22/90/1069232290.db2.gz REMZGJUNUBZLPR-NRFANRHFSA-N 0 3 497.706 1.888 20 0 JDADHN C[C@H](Cc1cccnc1)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC001473874634 1069235416 /nfs/dbraw/zinc/23/54/16/1069235416.db2.gz KYHQBSGTDKQRFW-OAHLLOKOSA-N 0 3 452.964 1.915 20 0 JDADHN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001500338217 1069237097 /nfs/dbraw/zinc/23/70/97/1069237097.db2.gz DODDVOOPCLGWNI-LEWJYISDSA-N 0 3 497.710 1.406 20 0 JDADHN CCOc1cc(CNC[C@H]2CCCN2S(C)(=O)=O)ccc1OCC(=O)N1CCCCC1 ZINC001474070377 1069239979 /nfs/dbraw/zinc/23/99/79/1069239979.db2.gz PMJHXUQUGSATIC-LJQANCHMSA-N 0 3 453.605 1.990 20 0 JDADHN C[C@@H](Cn1ncc2ccccc2c1=O)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001474073419 1069240112 /nfs/dbraw/zinc/24/01/12/1069240112.db2.gz NBGQSKHUMVGWRU-LBPRGKRZSA-N 0 3 451.346 1.985 20 0 JDADHN O[C@@H](CNCc1cc(I)c(Br)cc1F)Cn1ccnn1 ZINC001474174776 1069241112 /nfs/dbraw/zinc/24/11/12/1069241112.db2.gz YYZCHHVMEJXUJQ-VIFPVBQESA-N 0 3 455.069 1.935 20 0 JDADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001500409529 1069245934 /nfs/dbraw/zinc/24/59/34/1069245934.db2.gz YBRBCOZGSIAWPU-SFHVURJKSA-N 0 3 462.620 1.782 20 0 JDADHN CCCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001500566631 1069272039 /nfs/dbraw/zinc/27/20/39/1069272039.db2.gz HBEFLEBEDAUZNQ-WOJBJXKFSA-N 0 3 488.681 1.388 20 0 JDADHN CCCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCSC2)CC1 ZINC001500570598 1069276895 /nfs/dbraw/zinc/27/68/95/1069276895.db2.gz 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CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CCN(C)C)C[C@H]3CCCN3CC)ccc2O1 ZINC001474915150 1069303736 /nfs/dbraw/zinc/30/37/36/1069303736.db2.gz NVXNMFODGZSYAS-WIYYLYMNSA-N 0 3 453.605 1.590 20 0 JDADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC001474930284 1069308205 /nfs/dbraw/zinc/30/82/05/1069308205.db2.gz CJLZENJJZDJKEW-UHFFFAOYSA-N 0 3 452.806 1.864 20 0 JDADHN CSC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001505150010 1072384604 /nfs/dbraw/zinc/38/46/04/1072384604.db2.gz YKKBOGNHBPLTQG-OAHLLOKOSA-N 0 3 460.670 1.331 20 0 JDADHN CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001505159020 1072392910 /nfs/dbraw/zinc/39/29/10/1072392910.db2.gz CCTFAZHVRQFLFC-SQNIBIBYSA-N 0 3 473.713 1.245 20 0 JDADHN CS[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001505170556 1072397908 /nfs/dbraw/zinc/39/79/08/1072397908.db2.gz HDCCHFKGHYGQHW-ZWKOTPCHSA-N 0 3 488.724 1.921 20 0 JDADHN CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)CCOCC1 ZINC001505180420 1072402355 /nfs/dbraw/zinc/40/23/55/1072402355.db2.gz LKJSLUBIQVJHMW-UHFFFAOYSA-N 0 3 480.679 1.877 20 0 JDADHN CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCOCC3)C[C@H]2C)CCC1 ZINC001505187772 1072406449 /nfs/dbraw/zinc/40/64/49/1072406449.db2.gz MZMIDZCRLQTLNU-IAGOWNOFSA-N 0 3 486.708 1.864 20 0 JDADHN CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001505219553 1072424706 /nfs/dbraw/zinc/42/47/06/1072424706.db2.gz PZVZUZLCXOMHGS-ZWKOTPCHSA-N 0 3 465.668 1.691 20 0 JDADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)(F)F ZINC001505277836 1072447972 /nfs/dbraw/zinc/44/79/72/1072447972.db2.gz MLYLFZGQRGSYCL-CABCVRRESA-N 0 3 460.501 1.150 20 0 JDADHN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)Cc2ccc(F)cc2)C[C@@H]1F ZINC001505278324 1072448769 /nfs/dbraw/zinc/44/87/69/1072448769.db2.gz DLGSBDDPQZNHQZ-LSTHTHJFSA-N 0 3 498.600 1.676 20 0 JDADHN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)N(C)C)CCN1S(C)(=O)=O ZINC001505284822 1072460400 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CC(=O)NC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)CC1 ZINC001508345129 1073099799 /nfs/dbraw/zinc/09/97/99/1073099799.db2.gz XPEKSDIXJQRJHT-GOSISDBHSA-N 0 3 466.652 1.550 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508347190 1073105160 /nfs/dbraw/zinc/10/51/60/1073105160.db2.gz KFESELCQMGVISP-FPOVZHCZSA-N 0 3 459.639 1.841 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)C1 ZINC001508350646 1073111625 /nfs/dbraw/zinc/11/16/25/1073111625.db2.gz FHBXWOXBMDPNRX-JBACZVJFSA-N 0 3 480.679 1.797 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)C1 ZINC001508353194 1073114843 /nfs/dbraw/zinc/11/48/43/1073114843.db2.gz NQCYUAXBAKQZRL-SFTDATJTSA-N 0 3 480.679 1.655 20 0 JDADHN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)C1 ZINC001508353190 1073114936 /nfs/dbraw/zinc/11/49/36/1073114936.db2.gz NQCYUAXBAKQZRL-NHCUHLMSSA-N 0 3 480.679 1.655 20 0 JDADHN CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CCO1 ZINC001508381015 1073176021 /nfs/dbraw/zinc/17/60/21/1073176021.db2.gz VXNPDMRBSISLKY-VSKRKVRLSA-N 0 3 456.591 1.735 20 0 JDADHN CC(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508388832 1073197751 /nfs/dbraw/zinc/19/77/51/1073197751.db2.gz DWVMMVQQTKSOBD-UHFFFAOYSA-N 0 3 474.009 1.869 20 0 JDADHN CC(=O)NCCCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001508389777 1073199235 /nfs/dbraw/zinc/19/92/35/1073199235.db2.gz MNMCLSLBWXTXRV-WMZHIEFXSA-N 0 3 467.618 1.850 20 0 JDADHN CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508389942 1073199404 /nfs/dbraw/zinc/19/94/04/1073199404.db2.gz ORNHORIMUOHYQY-SFHVURJKSA-N 0 3 474.997 1.263 20 0 JDADHN CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001508398848 1073209598 /nfs/dbraw/zinc/20/95/98/1073209598.db2.gz SGEGBSIEHRLGTP-AUSIDOKSSA-N 0 3 482.633 1.169 20 0 JDADHN CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001508399989 1073210739 /nfs/dbraw/zinc/21/07/39/1073210739.db2.gz VTHPVCBQDHYSQU-AVRDEDQJSA-N 0 3 487.674 1.836 20 0 JDADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CCN1CCN(C)C(C)(C)C1 ZINC001508429259 1073224192 /nfs/dbraw/zinc/22/41/92/1073224192.db2.gz BLQNHQZTRXELLR-IRXDYDNUSA-N 0 3 451.641 1.557 20 0 JDADHN C[C@H]([C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)CN1CCCC1)S(C)(=O)=O ZINC001508439660 1073241717 /nfs/dbraw/zinc/24/17/17/1073241717.db2.gz MYOAXLJQHCDMJO-ZWKOTPCHSA-N 0 3 468.668 1.780 20 0 JDADHN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1)S(C)(=O)=O ZINC001508440388 1073243078 /nfs/dbraw/zinc/24/30/78/1073243078.db2.gz JUFYKKJTUGIYFC-RBUKOAKNSA-N 0 3 477.679 1.548 20 0 JDADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)NC1CCCCC1 ZINC001508513907 1073269861 /nfs/dbraw/zinc/26/98/61/1073269861.db2.gz CFLDPXMUVSPZDD-UHFFFAOYSA-N 0 3 459.639 1.769 20 0 JDADHN CC(C)(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001508593800 1073283278 /nfs/dbraw/zinc/28/32/78/1073283278.db2.gz FWKDENLQQVYQJA-UHFFFAOYSA-N 0 3 469.652 1.107 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001508612380 1073285893 /nfs/dbraw/zinc/28/58/93/1073285893.db2.gz CUPGKMFRLHGUOW-RBUKOAKNSA-N 0 3 468.668 1.969 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001508612990 1073286308 /nfs/dbraw/zinc/28/63/08/1073286308.db2.gz IFAMQYRZHDDPOJ-IBGZPJMESA-N 0 3 495.694 1.240 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001508613871 1073286492 /nfs/dbraw/zinc/28/64/92/1073286492.db2.gz UOZKLPKXQLIVAK-UHFFFAOYSA-N 0 3 490.674 1.762 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001508619482 1073287566 /nfs/dbraw/zinc/28/75/66/1073287566.db2.gz MEAMBFGZTGDDHD-AWEZNQCLSA-N 0 3 493.410 1.944 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CCCO2)CC1 ZINC001508621270 1073288144 /nfs/dbraw/zinc/28/81/44/1073288144.db2.gz XZPJDJGFHDMLRO-XXBNENTESA-N 0 3 498.694 1.738 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)CC1 ZINC001508621153 1073288263 /nfs/dbraw/zinc/28/82/63/1073288263.db2.gz VXRPKOVMMPOBNU-RBUKOAKNSA-N 0 3 484.667 1.206 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccs2)CC1 ZINC001508621593 1073288711 /nfs/dbraw/zinc/28/87/11/1073288711.db2.gz ZIHASWDVPHFZGZ-KRWDZBQOSA-N 0 3 497.691 1.674 20 0 JDADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001508623228 1073290546 /nfs/dbraw/zinc/29/05/46/1073290546.db2.gz LPDNDVBJHCEGLQ-SFHVURJKSA-N 0 3 475.619 1.128 20 0 JDADHN CC(C)(C)OC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC=CCC2)CC1 ZINC001508641090 1073303713 /nfs/dbraw/zinc/30/37/13/1073303713.db2.gz YNQUDLSBIZWWKQ-UHFFFAOYSA-N 0 3 459.595 1.720 20 0 JDADHN CC(C)(C)OC(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001508669201 1073325845 /nfs/dbraw/zinc/32/58/45/1073325845.db2.gz BCAHXGQCWSSNRB-LJQANCHMSA-N 0 3 464.611 1.855 20 0 JDADHN CC(C)(C)S(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508690806 1073337226 /nfs/dbraw/zinc/33/72/26/1073337226.db2.gz AJGXPNHJMZXPAF-UHFFFAOYSA-N 0 3 488.658 1.903 20 0 JDADHN CC(C)(CN1CCCC1)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001508721037 1073350784 /nfs/dbraw/zinc/35/07/84/1073350784.db2.gz HZVJNPDWBDPOFZ-LJQANCHMSA-N 0 3 480.679 1.926 20 0 JDADHN CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001508753379 1073357491 /nfs/dbraw/zinc/35/74/91/1073357491.db2.gz IKPBMAZVWGNCFP-PMACEKPBSA-N 0 3 482.651 1.126 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)CC1 ZINC001508770031 1073363776 /nfs/dbraw/zinc/36/37/76/1073363776.db2.gz VQSVJCRFAXURIJ-IBGZPJMESA-N 0 3 480.679 1.749 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)CC1 ZINC001508770032 1073363873 /nfs/dbraw/zinc/36/38/73/1073363873.db2.gz VQSVJCRFAXURIJ-LJQANCHMSA-N 0 3 480.679 1.749 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001508770076 1073364082 /nfs/dbraw/zinc/36/40/82/1073364082.db2.gz WWWHZVGUUMETTM-NHCUHLMSSA-N 0 3 489.665 1.419 20 0 JDADHN CC(C)C(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508800504 1073385689 /nfs/dbraw/zinc/38/56/89/1073385689.db2.gz BMJCVPUDWQMAOE-JOCHJYFZSA-N 0 3 499.635 1.913 20 0 JDADHN CC(C)C(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001508801820 1073386074 /nfs/dbraw/zinc/38/60/74/1073386074.db2.gz IHNUBVDTUNOZTG-UHFFFAOYSA-N 0 3 455.607 1.727 20 0 JDADHN CC(C)C(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508803518 1073387085 /nfs/dbraw/zinc/38/70/85/1073387085.db2.gz NMXZLDYNBKTACZ-IBGZPJMESA-N 0 3 461.655 1.772 20 0 JDADHN CC(C)C(=O)NCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508826086 1073402726 /nfs/dbraw/zinc/40/27/26/1073402726.db2.gz CFYFGHOYPZZFFT-QHCPKHFHSA-N 0 3 495.672 1.968 20 0 JDADHN CC(C)C(=O)NCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508826085 1073402960 /nfs/dbraw/zinc/40/29/60/1073402960.db2.gz CFYFGHOYPZZFFT-HSZRJFAPSA-N 0 3 495.672 1.968 20 0 JDADHN CC(C)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001508838429 1073410039 /nfs/dbraw/zinc/41/00/39/1073410039.db2.gz OURGJYRXFFUWRJ-UXHICEINSA-N 0 3 498.694 1.452 20 0 JDADHN CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508846637 1073412675 /nfs/dbraw/zinc/41/26/75/1073412675.db2.gz WIKSWNKSAIKLPF-RDPSFJRHSA-N 0 3 455.607 1.414 20 0 JDADHN CC(C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001508851568 1073416412 /nfs/dbraw/zinc/41/64/12/1073416412.db2.gz OWZZBNMESDGCKE-WMZHIEFXSA-N 0 3 458.611 1.434 20 0 JDADHN CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)N1CCCC1 ZINC001508872294 1073432628 /nfs/dbraw/zinc/43/26/28/1073432628.db2.gz ITRQYXRZIFWIGE-FHWLQOOXSA-N 0 3 468.668 1.779 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001508995549 1073467883 /nfs/dbraw/zinc/46/78/83/1073467883.db2.gz FGEQDDYJKLMBIA-QGZVFWFLSA-N 0 3 454.641 1.358 20 0 JDADHN CC(C)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001509000318 1073470854 /nfs/dbraw/zinc/47/08/54/1073470854.db2.gz CTGYLWHSQZZHST-LJQANCHMSA-N 0 3 473.601 1.600 20 0 JDADHN CC(C)[C@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001509038908 1073481789 /nfs/dbraw/zinc/48/17/89/1073481789.db2.gz CKDQAIXZQOPSCV-UXHICEINSA-N 0 3 497.710 1.262 20 0 JDADHN CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001509078151 1073491055 /nfs/dbraw/zinc/49/10/55/1073491055.db2.gz XNYXJILKAZKWLJ-IBGZPJMESA-N 0 3 470.622 1.813 20 0 JDADHN CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCCn1cc(CO)nn1 ZINC001509177641 1073519485 /nfs/dbraw/zinc/51/94/85/1073519485.db2.gz UGONLZHKSIXPMU-NRFANRHFSA-N 0 3 459.643 1.255 20 0 JDADHN CC(C)Cc1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001509188978 1073521988 /nfs/dbraw/zinc/52/19/88/1073521988.db2.gz MVNCCCXJOCURIA-TZIWHRDSSA-N 0 3 473.666 1.914 20 0 JDADHN CC(C)Cc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001509230822 1073541909 /nfs/dbraw/zinc/54/19/09/1073541909.db2.gz IEPQDELBNPBPSR-NHCUHLMSSA-N 0 3 472.638 1.521 20 0 JDADHN CC(C)Cc1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001509230842 1073542153 /nfs/dbraw/zinc/54/21/53/1073542153.db2.gz IEPQDELBNPBPSR-SFTDATJTSA-N 0 3 472.638 1.521 20 0 JDADHN CC(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001509316310 1073562741 /nfs/dbraw/zinc/56/27/41/1073562741.db2.gz YMNFKGZJGVQFEN-PMACEKPBSA-N 0 3 452.669 1.831 20 0 JDADHN CC(C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001509350426 1073568843 /nfs/dbraw/zinc/56/88/43/1073568843.db2.gz GETVLTPIHKEDKP-GOSISDBHSA-N 0 3 478.663 1.986 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NC2CCCCC2)CC1 ZINC001509402981 1073578671 /nfs/dbraw/zinc/57/86/71/1073578671.db2.gz BXDUBSPPDOXEMX-GOSISDBHSA-N 0 3 483.683 1.505 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N(C)C)CC1=O ZINC001509404950 1073582218 /nfs/dbraw/zinc/58/22/18/1073582218.db2.gz NSIRHXLVCIQBLV-SJORKVTESA-N 0 3 497.691 1.557 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N(C)C)CC1=O ZINC001509404942 1073582370 /nfs/dbraw/zinc/58/23/70/1073582370.db2.gz NSIRHXLVCIQBLV-IAGOWNOFSA-N 0 3 497.691 1.557 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001509416162 1073592737 /nfs/dbraw/zinc/59/27/37/1073592737.db2.gz YTFGCZPXSLTDOU-OALUTQOASA-N 0 3 468.668 1.509 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnccn2)C1 ZINC001509416753 1073592850 /nfs/dbraw/zinc/59/28/50/1073592850.db2.gz ZCFVNTBGGJPYGI-RBUKOAKNSA-N 0 3 461.636 1.975 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnccn2)C1 ZINC001509416750 1073592913 /nfs/dbraw/zinc/59/29/13/1073592913.db2.gz ZCFVNTBGGJPYGI-OALUTQOASA-N 0 3 461.636 1.975 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001509422050 1073596004 /nfs/dbraw/zinc/59/60/04/1073596004.db2.gz VIIBUSKOXMFSLS-UHFFFAOYSA-N 0 3 485.614 1.996 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](C)C2)CC1 ZINC001509427289 1073601722 /nfs/dbraw/zinc/60/17/22/1073601722.db2.gz IWHYASGOMANTFT-ZCNNSNEGSA-N 0 3 468.668 1.825 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1=O ZINC001509427657 1073602541 /nfs/dbraw/zinc/60/25/41/1073602541.db2.gz JRBPDSWBZQTNGY-PWRODBHTSA-N 0 3 489.665 1.418 20 0 JDADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001509430380 1073606580 /nfs/dbraw/zinc/60/65/80/1073606580.db2.gz GINXJIBPOBLUBT-LJQANCHMSA-N 0 3 475.663 1.768 20 0 JDADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001509430375 1073606797 /nfs/dbraw/zinc/60/67/97/1073606797.db2.gz GINXJIBPOBLUBT-IBGZPJMESA-N 0 3 475.663 1.768 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)CC1 ZINC001509438024 1073618684 /nfs/dbraw/zinc/61/86/84/1073618684.db2.gz YCZMSXMTUQHBAA-HDICACEKSA-N 0 3 463.627 1.915 20 0 JDADHN CC(C)COC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001509451808 1073635688 /nfs/dbraw/zinc/63/56/88/1073635688.db2.gz PNEWQEGTZKIJFC-SFHVURJKSA-N 0 3 484.667 1.683 20 0 JDADHN CC(C)CO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001509468276 1073640371 /nfs/dbraw/zinc/64/03/71/1073640371.db2.gz IZDQOSQCAJJSFJ-PWRODBHTSA-N 0 3 462.639 1.976 20 0 JDADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001509519174 1073663408 /nfs/dbraw/zinc/66/34/08/1073663408.db2.gz RYLXUCFEPLIARV-IBGZPJMESA-N 0 3 474.631 1.890 20 0 JDADHN CC(C)N(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001509520993 1073665001 /nfs/dbraw/zinc/66/50/01/1073665001.db2.gz CYWVKNKDKJMJCV-UHFFFAOYSA-N 0 3 452.581 1.359 20 0 JDADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1)C(C)C ZINC001509545264 1073672751 /nfs/dbraw/zinc/67/27/51/1073672751.db2.gz FKYZWQDKLGUPAP-IBGZPJMESA-N 0 3 492.646 1.854 20 0 JDADHN CC(C)N1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001509553702 1073677616 /nfs/dbraw/zinc/67/76/16/1073677616.db2.gz CKJDIUSLONLERW-QGZVFWFLSA-N 0 3 461.592 1.281 20 0 JDADHN CC(C)NC(=O)C(=O)N1CCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001509576239 1073694322 /nfs/dbraw/zinc/69/43/22/1073694322.db2.gz FQGRGZBPWMPJFW-HXUWFJFHSA-N 0 3 455.607 1.878 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4cccnc4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001509579940 1073701630 /nfs/dbraw/zinc/70/16/30/1073701630.db2.gz MCRNJGGRLMSMSB-OAQYLSRUSA-N 0 3 475.663 1.303 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCN1CCCCC1 ZINC001509583240 1073710098 /nfs/dbraw/zinc/71/00/98/1073710098.db2.gz AZRCFVIPWBWJEA-IBGZPJMESA-N 0 3 455.611 1.797 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC1=CCCOC1 ZINC001509584456 1073713214 /nfs/dbraw/zinc/71/32/14/1073713214.db2.gz GTVOAHYKJWCGPG-UHFFFAOYSA-N 0 3 456.595 1.560 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001509593542 1073721508 /nfs/dbraw/zinc/72/15/08/1073721508.db2.gz JTOJHCTYYWYTPV-UUWRZZSWSA-N 0 3 489.690 1.816 20 0 JDADHN CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001509618792 1073741498 /nfs/dbraw/zinc/74/14/98/1073741498.db2.gz OMWPAVYLDDTJDA-DVECYGJZSA-N 0 3 477.654 1.217 20 0 JDADHN C[C@@H]1CN(c2nc3cc(CN4CCN(C)CC4)sc3c(N3CCOCC3)n2)[C@@H](C)CN1C ZINC001164633157 719228565 /nfs/dbraw/zinc/22/85/65/719228565.db2.gz DGXKKIGNZMZRKB-MSOLQXFVSA-N 0 3 459.664 1.804 20 0 JDADHN CN(C)c1nccc(N2CCOC[C@@]3(CCCN(c4cccc(N5CCN(C)CC5)n4)C3)C2)n1 ZINC001164664931 719357334 /nfs/dbraw/zinc/35/73/34/719357334.db2.gz STAQCPPMRNVSHI-RUZDIDTESA-N 0 3 466.634 1.813 20 0 JDADHN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(c3ccc(CN4CCCC4)cn3)CC[C@H]12 ZINC001164695917 719834176 /nfs/dbraw/zinc/83/41/76/719834176.db2.gz QQYDHHYUKKRLBD-URXFXBBRSA-N 0 3 491.658 1.157 20 0 JDADHN O=C(NC[C@@H]1CC[C@@]2(COCCN(c3ccc(CN4CCCC4)cn3)C2)O1)c1cnccn1 ZINC001164820545 720274595 /nfs/dbraw/zinc/27/45/95/720274595.db2.gz WEBPAPNEAKYFMB-GBXCKJPGSA-N 0 3 452.559 1.652 20 0 JDADHN O=C(NC[C@H]1CC[C@]2(COCCN(c3ccc(CN4CCCC4)cn3)C2)O1)c1cnccn1 ZINC001164820552 720275181 /nfs/dbraw/zinc/27/51/81/720275181.db2.gz WEBPAPNEAKYFMB-YKSBVNFPSA-N 0 3 452.559 1.652 20 0 JDADHN O=C(NC[C@@H]1CC[C@]2(COCCN(c3ncccc3CN3CCCC3)C2)O1)c1cnccn1 ZINC001164817271 720275467 /nfs/dbraw/zinc/27/54/67/720275467.db2.gz BXSDZVUTWHJEBH-RDPSFJRHSA-N 0 3 452.559 1.652 20 0 JDADHN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744359 720721413 /nfs/dbraw/zinc/72/14/13/720721413.db2.gz ZNIMKVQRQYCRQC-KBPBESRZSA-N 0 3 458.910 1.175 20 0 JDADHN Cc1cc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164738557 720722829 /nfs/dbraw/zinc/72/28/29/720722829.db2.gz GAUXYXGSSLBQNI-IAGOWNOFSA-N 0 3 453.572 1.968 20 0 JDADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164742902 720751627 /nfs/dbraw/zinc/75/16/27/720751627.db2.gz PGXOJANCEOARNL-MOPGFXCFSA-N 0 3 477.550 1.800 20 0 JDADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)C1 ZINC001164737754 720766972 /nfs/dbraw/zinc/76/69/72/720766972.db2.gz CMYFQVSYYZFSDK-CEXWTWQISA-N 0 3 453.547 1.388 20 0 JDADHN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864331 721106858 /nfs/dbraw/zinc/10/68/58/721106858.db2.gz FKYTYYHYIQDBKH-SJORKVTESA-N 0 3 471.949 1.918 20 0 JDADHN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864318 721107776 /nfs/dbraw/zinc/10/77/76/721107776.db2.gz FKYTYYHYIQDBKH-DLBZAZTESA-N 0 3 471.949 1.918 20 0 JDADHN COC(=O)C1CCN(c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164867182 721115812 /nfs/dbraw/zinc/11/58/12/721115812.db2.gz WQGUAIAVXFEQMD-NHCUHLMSSA-N 0 3 452.559 1.741 20 0 JDADHN CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164862792 721119260 /nfs/dbraw/zinc/11/92/60/721119260.db2.gz AJAYTXUUXLQGEE-VQTJNVASSA-N 0 3 468.558 1.365 20 0 JDADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)c1 ZINC001164872079 721138811 /nfs/dbraw/zinc/13/88/11/721138811.db2.gz GKFAPKIOXXIAMH-NHCUHLMSSA-N 0 3 450.591 1.947 20 0 JDADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccnc(N4CCN(C)CC4)n3)C2)C1 ZINC001164782293 721370889 /nfs/dbraw/zinc/37/08/89/721370889.db2.gz MLGAZEIATXKEQU-DEOSSOPVSA-N 0 3 455.607 1.952 20 0 JDADHN COC(=O)C1CCN(c2ccnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)n2)CC1 ZINC001164890032 721424491 /nfs/dbraw/zinc/42/44/91/721424491.db2.gz SBJSHTBENKCDMJ-SQJMNOBHSA-N 0 3 472.634 1.631 20 0 JDADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)C3)O2)CC1 ZINC001164893029 721432264 /nfs/dbraw/zinc/43/22/64/721432264.db2.gz IULVIEVYIFFZLQ-BWKNWUBXSA-N 0 3 470.666 1.837 20 0 JDADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)CCN3C2)c1 ZINC001164898118 721518487 /nfs/dbraw/zinc/51/84/87/721518487.db2.gz HVJAJPYTOWPGDW-IFMALSPDSA-N 0 3 484.576 1.631 20 0 JDADHN O=C(c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164904769 721559220 /nfs/dbraw/zinc/55/92/20/721559220.db2.gz FQVXTYCJTSOOIO-CTNGQTDRSA-N 0 3 474.558 1.433 20 0 JDADHN Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(c1ccc(CN3CCCC3)cn1)CCC2 ZINC001165013043 721751701 /nfs/dbraw/zinc/75/17/01/721751701.db2.gz IXZMDUIQEJODCA-UHFFFAOYSA-N 0 3 462.558 1.308 20 0 JDADHN Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(c1ncccc1CN1CCCC1)CCC2 ZINC001165013167 721752185 /nfs/dbraw/zinc/75/21/85/721752185.db2.gz JSOIWLDNSIAEGW-UHFFFAOYSA-N 0 3 462.558 1.308 20 0 JDADHN COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCN(C3CCCC3)CC2)CN1 ZINC001165028579 721856266 /nfs/dbraw/zinc/85/62/66/721856266.db2.gz NRVOMFKUDSDOJI-NQIIRXRSSA-N 0 3 455.559 1.985 20 0 JDADHN c1cncc(CN2CCO[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CC[C@H]3C2)c1 ZINC001164981067 722108886 /nfs/dbraw/zinc/10/88/86/722108886.db2.gz SHAHWWAVASCQIF-PZJWPPBQSA-N 0 3 451.575 1.404 20 0 JDADHN COC(=O)C1CCN(c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164979878 722128103 /nfs/dbraw/zinc/12/81/03/722128103.db2.gz QRUBOEZMPQKQEK-YADHBBJMSA-N 0 3 466.586 1.988 20 0 JDADHN O=S(=O)(c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1)N1CCCC1 ZINC001164985037 722148807 /nfs/dbraw/zinc/14/88/07/722148807.db2.gz YXLSLJGNLURDAE-UNMCSNQZSA-N 0 3 457.600 1.988 20 0 JDADHN CCCN(CC)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001500786841 1069310748 /nfs/dbraw/zinc/31/07/48/1069310748.db2.gz DNDZXENXJBBRSS-HNNXBMFYSA-N 0 3 452.581 1.361 20 0 JDADHN CCCN(CC)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001500788168 1069311768 /nfs/dbraw/zinc/31/17/68/1069311768.db2.gz XVYBDUYBLSHJLZ-INIZCTEOSA-N 0 3 473.603 1.949 20 0 JDADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)CC1 ZINC001474942580 1069313259 /nfs/dbraw/zinc/31/32/59/1069313259.db2.gz IGINOFLYGOMCTF-UHFFFAOYSA-N 0 3 453.483 1.769 20 0 JDADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001500789731 1069313675 /nfs/dbraw/zinc/31/36/75/1069313675.db2.gz HPCFRQQLOLDLND-LJQANCHMSA-N 0 3 476.651 1.337 20 0 JDADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001500789977 1069314250 /nfs/dbraw/zinc/31/42/50/1069314250.db2.gz MRGAQWKXYBCXJS-WOIUINJBSA-N 0 3 469.652 1.686 20 0 JDADHN CCCN(CC)CCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001500794679 1069315852 /nfs/dbraw/zinc/31/58/52/1069315852.db2.gz MKUDLFDFBDCASG-SFHVURJKSA-N 0 3 454.641 1.536 20 0 JDADHN CCCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001500939162 1069334468 /nfs/dbraw/zinc/33/44/68/1069334468.db2.gz KBNDKIQQGOMORW-HJLBWTBNSA-N 0 3 480.679 1.796 20 0 JDADHN CCCN1CC[C@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001500939454 1069335012 /nfs/dbraw/zinc/33/50/12/1069335012.db2.gz LTDGTVVQEKLXFP-IBGZPJMESA-N 0 3 490.678 1.665 20 0 JDADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001500939167 1069334032 /nfs/dbraw/zinc/33/40/32/1069334032.db2.gz KBNDKIQQGOMORW-KREBGBLKSA-N 0 3 480.679 1.796 20 0 JDADHN CCCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001500939169 1069334203 /nfs/dbraw/zinc/33/42/03/1069334203.db2.gz KBNDKIQQGOMORW-QAJIEZEQSA-N 0 3 480.679 1.796 20 0 JDADHN 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CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001502311868 1070082441 /nfs/dbraw/zinc/08/24/41/1070082441.db2.gz AJWXPMOCLAEEIZ-SFHVURJKSA-N 0 3 450.582 1.697 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC001502312230 1070082515 /nfs/dbraw/zinc/08/25/15/1070082515.db2.gz IRZDXSNUWNBRNH-HXUWFJFHSA-N 0 3 485.681 1.788 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001502312363 1070083748 /nfs/dbraw/zinc/08/37/48/1070083748.db2.gz KSASDQGBIBLFAS-RDJZCZTQSA-N 0 3 454.501 1.529 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001502312553 1070084881 /nfs/dbraw/zinc/08/48/81/1070084881.db2.gz OIIQOZVWENIUGJ-DLBZAZTESA-N 0 3 495.554 1.266 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502312678 1070085064 /nfs/dbraw/zinc/08/50/64/1070085064.db2.gz QDQXHEHVXLEBLO-LJQANCHMSA-N 0 3 487.624 1.842 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502312932 1070085832 /nfs/dbraw/zinc/08/58/32/1070085832.db2.gz VGRUCRNYLYRSGE-SFHLNBCPSA-N 0 3 486.617 1.340 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](OCCOC)C2)CC1 ZINC001502313006 1070086052 /nfs/dbraw/zinc/08/60/52/1070086052.db2.gz WKMYGIKQLRMXOB-FPOVZHCZSA-N 0 3 460.627 1.336 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502313304 1070086777 /nfs/dbraw/zinc/08/67/77/1070086777.db2.gz BVTAHLDBVFPNOV-OAQYLSRUSA-N 0 3 473.641 1.802 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502313173 1070086996 /nfs/dbraw/zinc/08/69/96/1070086996.db2.gz ZAJSUBJOZOEPGH-IBGZPJMESA-N 0 3 455.607 1.648 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC(C)C)C(C)C)CC1 ZINC001502313482 1070088686 /nfs/dbraw/zinc/08/86/86/1070088686.db2.gz FLBYYOBNGVWCCD-SFTDATJTSA-N 0 3 499.726 1.508 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502314017 1070090812 /nfs/dbraw/zinc/09/08/12/1070090812.db2.gz OEZDFQZDZYYDMH-FQEVSTJZSA-N 0 3 485.633 1.792 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502313807 1070091056 /nfs/dbraw/zinc/09/10/56/1070091056.db2.gz KTCXWNNSFZTXRM-LEWJYISDSA-N 0 3 461.655 1.850 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502314130 1070091322 /nfs/dbraw/zinc/09/13/22/1070091322.db2.gz QCKRESYNYXRACC-OAQYLSRUSA-N 0 3 456.639 1.058 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502313876 1070091604 /nfs/dbraw/zinc/09/16/04/1070091604.db2.gz LUAOEOKNZNAIMQ-SFHVURJKSA-N 0 3 467.684 1.480 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001502314192 1070092131 /nfs/dbraw/zinc/09/21/31/1070092131.db2.gz QWVVMMKNDTVVKQ-CQOQZXRMSA-N 0 3 488.725 1.491 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001502314194 1070092465 /nfs/dbraw/zinc/09/24/65/1070092465.db2.gz QWVVMMKNDTVVKQ-ZDXQCDESSA-N 0 3 488.725 1.491 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502314460 1070093562 /nfs/dbraw/zinc/09/35/62/1070093562.db2.gz WABFBTLXPDDZMQ-LJQANCHMSA-N 0 3 469.634 1.605 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502314841 1070095404 /nfs/dbraw/zinc/09/54/04/1070095404.db2.gz BXQMKMKIAQJMRR-RTWAWAEBSA-N 0 3 469.634 1.812 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502315228 1070098955 /nfs/dbraw/zinc/09/89/55/1070098955.db2.gz JJZWODYGKFLADE-HXUWFJFHSA-N 0 3 483.661 1.800 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502315155 1070097740 /nfs/dbraw/zinc/09/77/40/1070097740.db2.gz IDZCJJQVISCJDF-IBGZPJMESA-N 0 3 488.612 1.484 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502315162 1070098409 /nfs/dbraw/zinc/09/84/09/1070098409.db2.gz IESVGLQZDHTBJN-DFBJGRDBSA-N 0 3 487.624 1.985 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502315448 1070100842 /nfs/dbraw/zinc/10/08/42/1070100842.db2.gz NZKBSALCYCPDKY-UQBPGWFLSA-N 0 3 487.624 1.985 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502315628 1070103920 /nfs/dbraw/zinc/10/39/20/1070103920.db2.gz RMIPDEAWRVCPJV-UXHICEINSA-N 0 3 455.607 1.237 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502315537 1070102147 /nfs/dbraw/zinc/10/21/47/1070102147.db2.gz PTLIFCWUXCXFPB-GBESFXJTSA-N 0 3 491.662 1.146 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502315544 1070102275 /nfs/dbraw/zinc/10/22/75/1070102275.db2.gz PVMIUQXRMFFBGH-HXUWFJFHSA-N 0 3 471.654 1.258 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502315534 1070102692 /nfs/dbraw/zinc/10/26/92/1070102692.db2.gz PRQFZYKSHJLULU-SFTDATJTSA-N 0 3 483.661 1.765 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502315538 1070102981 /nfs/dbraw/zinc/10/29/81/1070102981.db2.gz PTLIFCWUXCXFPB-QRVBRYPASA-N 0 3 491.662 1.146 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502315666 1070104666 /nfs/dbraw/zinc/10/46/66/1070104666.db2.gz SGSLYISRMIPKLO-CPJSRVTESA-N 0 3 469.634 1.893 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502315877 1070106317 /nfs/dbraw/zinc/10/63/17/1070106317.db2.gz WASUOPAZUSELQN-NRFANRHFSA-N 0 3 469.634 1.594 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502315928 1070107852 /nfs/dbraw/zinc/10/78/52/1070107852.db2.gz WTGPVMMPGHRNPZ-FPOVZHCZSA-N 0 3 454.623 1.382 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502315961 1070108271 /nfs/dbraw/zinc/10/82/71/1070108271.db2.gz XFIYRDKRILXIIZ-IBGZPJMESA-N 0 3 488.612 1.484 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001502315993 1070110145 /nfs/dbraw/zinc/11/01/45/1070110145.db2.gz XWERJEXUNAAILN-NRFANRHFSA-N 0 3 493.660 1.901 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502316296 1070113118 /nfs/dbraw/zinc/11/31/18/1070113118.db2.gz FJTZMULQLANIST-PWRODBHTSA-N 0 3 497.710 1.263 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001502316470 1070113314 /nfs/dbraw/zinc/11/33/14/1070113314.db2.gz JWTWTANAAGUDLS-MUGJNUQGSA-N 0 3 452.669 1.970 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502316297 1070113523 /nfs/dbraw/zinc/11/35/23/1070113523.db2.gz FJTZMULQLANIST-QHAWAJNXSA-N 0 3 497.710 1.263 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(N3CCN(C(C)=O)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502316577 1070115184 /nfs/dbraw/zinc/11/51/84/1070115184.db2.gz MHVLNVABWZKQFH-TYBLODHISA-N 0 3 491.681 1.402 20 0 JDADHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001479430665 1070146301 /nfs/dbraw/zinc/14/63/01/1070146301.db2.gz XZQMTHCYCZNXPW-DOIPELPJSA-N 0 3 462.591 1.803 20 0 JDADHN O=C(NC[C@H]1CCN1C1CCOCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC001479419871 1070144191 /nfs/dbraw/zinc/14/41/91/1070144191.db2.gz JOTWJMKNRLNRBE-GOSISDBHSA-N 0 3 456.996 1.609 20 0 JDADHN CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001479499199 1070155057 /nfs/dbraw/zinc/15/50/57/1070155057.db2.gz SVWYBPSYRBJJPR-IBGZPJMESA-N 0 3 459.591 1.980 20 0 JDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001479524407 1070159799 /nfs/dbraw/zinc/15/97/99/1070159799.db2.gz NJDSCROTJSSAFB-OAHLLOKOSA-N 0 3 452.581 1.938 20 0 JDADHN CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCSCC2)C[C@H]1C ZINC001502329968 1070163995 /nfs/dbraw/zinc/16/39/95/1070163995.db2.gz LXUYUVCSPCVOIB-QGZVFWFLSA-N 0 3 463.677 1.849 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCOC)C2)CC1 ZINC001502333524 1070177310 /nfs/dbraw/zinc/17/73/10/1070177310.db2.gz KTNANIHVAWKSBX-INIZCTEOSA-N 0 3 452.401 1.898 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(=O)NC(C)C)C2)CC1 ZINC001502333711 1070179322 /nfs/dbraw/zinc/17/93/22/1070179322.db2.gz PHQLFBOVGRNOKZ-KRWDZBQOSA-N 0 3 493.454 1.777 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CC(C)(C)OC)C2)CC1 ZINC001502334701 1070189219 /nfs/dbraw/zinc/18/92/19/1070189219.db2.gz OORQQEJMFCAHBC-FQEVSTJZSA-N 0 3 490.674 1.990 20 0 JDADHN CCN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001502334903 1070190044 /nfs/dbraw/zinc/19/00/44/1070190044.db2.gz VCEHIPGNKGQWSY-GOSISDBHSA-N 0 3 461.014 1.688 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccn4)n3CCCCCS(C)(=O)=O)C2)CC1 ZINC001502334765 1070190236 /nfs/dbraw/zinc/19/02/36/1070190236.db2.gz QDNDQJIAUHKBDM-FQEVSTJZSA-N 0 3 475.663 1.771 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](COC)OC)C2)CC1 ZINC001502334763 1070190937 /nfs/dbraw/zinc/19/09/37/1070190937.db2.gz QCIJLHDHACIFMG-RBUKOAKNSA-N 0 3 464.014 1.871 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3C[C@H](COC)OC)C2)CC1 ZINC001502335615 1070196374 /nfs/dbraw/zinc/19/63/74/1070196374.db2.gz MVQABERPQRPQAJ-LEWJYISDSA-N 0 3 460.627 1.017 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@@H](COC)OC)C2)CC1 ZINC001502335728 1070197353 /nfs/dbraw/zinc/19/73/53/1070197353.db2.gz OZIVLWOJJQXZEA-SFTDATJTSA-N 0 3 460.598 1.886 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccn4)n3CCC(=O)NC(C)C)C2)CC1 ZINC001502336167 1070198758 /nfs/dbraw/zinc/19/87/58/1070198758.db2.gz WLJQCSLHSMIGLL-NRFANRHFSA-N 0 3 454.623 1.395 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(CCc4ccc(OC)cc4)n3CC(=O)NC(C)C)C2)CC1 ZINC001502336278 1070200803 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SXLAQZKTOXFARG-XMMPIXPASA-N 0 3 474.606 1.677 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C ZINC001503100028 1071048822 /nfs/dbraw/zinc/04/88/22/1071048822.db2.gz SWFXYKBOVLHDSA-UHFFFAOYSA-N 0 3 493.653 1.816 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001503100116 1071049333 /nfs/dbraw/zinc/04/93/33/1071049333.db2.gz VOJVWXYIUVJAKX-UHFFFAOYSA-N 0 3 475.638 1.208 20 0 JDADHN CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001503105023 1071056613 /nfs/dbraw/zinc/05/66/13/1071056613.db2.gz VGMDOJSGNVUARO-GOSISDBHSA-N 0 3 484.630 2.000 20 0 JDADHN COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(C)=O)C2)N(C)C)c1 ZINC001504323137 1071057275 /nfs/dbraw/zinc/05/72/75/1071057275.db2.gz AGUQGUYZCPDJBH-NYVOZVTQSA-N 0 3 483.617 1.893 20 0 JDADHN COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)N(C)C)c1 ZINC001504324240 1071059075 /nfs/dbraw/zinc/05/90/75/1071059075.db2.gz CYYNJHUIUZMWIL-PKOBYXMFSA-N 0 3 455.563 1.024 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCNC(=O)c1cccs1 ZINC001503109008 1071061934 /nfs/dbraw/zinc/06/19/34/1071061934.db2.gz GJOXKVYDGRGPGS-QGZVFWFLSA-N 0 3 462.620 1.996 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC1(COC)CCOCC1 ZINC001503108836 1071062402 /nfs/dbraw/zinc/06/24/02/1071062402.db2.gz DQEHMRPLJQSNHR-LJQANCHMSA-N 0 3 451.612 1.947 20 0 JDADHN COc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001504332139 1071063707 /nfs/dbraw/zinc/06/37/07/1071063707.db2.gz ZNGBMMAPKQVBBF-UHFFFAOYSA-N 0 3 499.660 1.984 20 0 JDADHN COc1cccc([C@@H](Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)N(C)C)c1 ZINC001504325239 1071059738 /nfs/dbraw/zinc/05/97/38/1071059738.db2.gz PCHWFIUTGHVTSU-OXJNMPFZSA-N 0 3 450.547 1.714 20 0 JDADHN COc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(N(C)C(C)=O)CC2)N(C)C)c1 ZINC001504324947 1071059805 /nfs/dbraw/zinc/05/98/05/1071059805.db2.gz NLZQRBNJQQDARZ-YADHBBJMSA-N 0 3 483.617 1.988 20 0 JDADHN COc1cccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(N(C)C(C)=O)CC2)N(C)C)c1 ZINC001504324945 1071059907 /nfs/dbraw/zinc/05/99/07/1071059907.db2.gz NLZQRBNJQQDARZ-FGZHOGPDSA-N 0 3 483.617 1.988 20 0 JDADHN COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(N(C)C(C)=O)CC2)N(C)C)c1 ZINC001504324946 1071059998 /nfs/dbraw/zinc/05/99/98/1071059998.db2.gz NLZQRBNJQQDARZ-VXKWHMMOSA-N 0 3 483.617 1.988 20 0 JDADHN COc1cccc([C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)N2CCOCC2)N(C)C)c1 ZINC001504325613 1071060569 /nfs/dbraw/zinc/06/05/69/1071060569.db2.gz PQLKKLRADBNKKX-RBBKRZOGSA-N 0 3 486.617 1.779 20 0 JDADHN COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)N(C)C)c1 ZINC001504325428 1071060637 /nfs/dbraw/zinc/06/06/37/1071060637.db2.gz NJPZZMCPUJFFNW-AZUAARDMSA-N 0 3 483.617 1.325 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001503110371 1071065665 /nfs/dbraw/zinc/06/56/65/1071065665.db2.gz VQKZBSFJALMHCS-QUCCMNQESA-N 0 3 486.608 1.860 20 0 JDADHN CCOCc1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503112174 1071070825 /nfs/dbraw/zinc/07/08/25/1071070825.db2.gz HECGLEDSVBRLRS-LJQANCHMSA-N 0 3 474.654 1.768 20 0 JDADHN CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@@H](c1cccs1)N(C)C ZINC001503115800 1071077156 /nfs/dbraw/zinc/07/71/56/1071077156.db2.gz CLXBOLWZJFFTAP-JKSUJKDBSA-N 0 3 461.592 1.652 20 0 JDADHN COc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCN2CCN(C(C)=O)CC2)c1 ZINC001504347970 1071078482 /nfs/dbraw/zinc/07/84/82/1071078482.db2.gz UMIAXINWOUBHOH-UHFFFAOYSA-N 0 3 469.634 1.896 20 0 JDADHN CCOCc1nnc(N2CCO[C@H](Cn3cc(C)cn3)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503121756 1071088313 /nfs/dbraw/zinc/08/83/13/1071088313.db2.gz AMVJGXMZVQCWLR-SFTDATJTSA-N 0 3 460.627 1.251 20 0 JDADHN COc1ccccc1[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC(N)=O)N1CCCC1 ZINC001504369265 1071102989 /nfs/dbraw/zinc/10/29/89/1071102989.db2.gz KZIGDXKTVPXZJW-UHOSZYNNSA-N 0 3 469.590 1.775 20 0 JDADHN COc1ccccc1[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC(N)=O)N1CCCC1 ZINC001504369267 1071103134 /nfs/dbraw/zinc/10/31/34/1071103134.db2.gz KZIGDXKTVPXZJW-WDSOQIARSA-N 0 3 469.590 1.775 20 0 JDADHN COc1ccccc1[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC1)N1CCCC1 ZINC001504370202 1071105303 /nfs/dbraw/zinc/10/53/03/1071105303.db2.gz PMVNJLLTTVKTJF-PKOBYXMFSA-N 0 3 478.619 1.571 20 0 JDADHN COc1ccccc1-c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001504382606 1071115179 /nfs/dbraw/zinc/11/51/79/1071115179.db2.gz XVVFSLTUMRWSSZ-UHFFFAOYSA-N 0 3 456.591 1.981 20 0 JDADHN CCOCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503188250 1071135571 /nfs/dbraw/zinc/13/55/71/1071135571.db2.gz BHLTZEDJAHMKRJ-IBGZPJMESA-N 0 3 482.633 1.691 20 0 JDADHN COc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001504410901 1071156895 /nfs/dbraw/zinc/15/68/95/1071156895.db2.gz SXIHCKOMNJHMDP-FQEVSTJZSA-N 0 3 483.617 1.099 20 0 JDADHN COc1ccccc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001504413941 1071165358 /nfs/dbraw/zinc/16/53/58/1071165358.db2.gz VGNCSYCSQKALHD-SFHVURJKSA-N 0 3 464.636 1.918 20 0 JDADHN CCOCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001503215761 1071164317 /nfs/dbraw/zinc/16/43/17/1071164317.db2.gz JEIUZQCGCYAGTI-SFTDATJTSA-N 0 3 477.654 1.172 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001503219447 1071171754 /nfs/dbraw/zinc/17/17/54/1071171754.db2.gz MTPHYKSQIMNAIR-PMACEKPBSA-N 0 3 474.654 1.725 20 0 JDADHN CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001503222153 1071180617 /nfs/dbraw/zinc/18/06/17/1071180617.db2.gz XJRXPMMMMWHZFR-AQNXPRMDSA-N 0 3 477.654 1.276 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001503221272 1071176657 /nfs/dbraw/zinc/17/66/57/1071176657.db2.gz RCMJCFFFLXQSNO-PMACEKPBSA-N 0 3 458.611 1.393 20 0 JDADHN CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503222162 1071180934 /nfs/dbraw/zinc/18/09/34/1071180934.db2.gz XJRXPMMMMWHZFR-ZCNNSNEGSA-N 0 3 477.654 1.276 20 0 JDADHN CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503222157 1071181048 /nfs/dbraw/zinc/18/10/48/1071181048.db2.gz XJRXPMMMMWHZFR-HSALFYBXSA-N 0 3 477.654 1.276 20 0 JDADHN COc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504433194 1071196125 /nfs/dbraw/zinc/19/61/25/1071196125.db2.gz VBWOMNSZBCCVNH-LJQANCHMSA-N 0 3 485.633 1.559 20 0 JDADHN COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001504456720 1071232225 /nfs/dbraw/zinc/23/22/25/1071232225.db2.gz MMOVKMJYBUGHOD-INIZCTEOSA-N 0 3 451.597 1.118 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001503243413 1071236483 /nfs/dbraw/zinc/23/64/83/1071236483.db2.gz HCFJXABJYLPPEF-GOSISDBHSA-N 0 3 477.635 1.917 20 0 JDADHN CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503244615 1071242181 /nfs/dbraw/zinc/24/21/81/1071242181.db2.gz XRRAYLYUJPDJRD-GOSISDBHSA-N 0 3 463.652 1.626 20 0 JDADHN CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503247963 1071255472 /nfs/dbraw/zinc/25/54/72/1071255472.db2.gz YVQDKBIRDJTAPG-LJQANCHMSA-N 0 3 477.679 1.549 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(N(C)C)CCOCC1 ZINC001503248809 1071257066 /nfs/dbraw/zinc/25/70/66/1071257066.db2.gz VVLWBTBKOFBSGE-UHFFFAOYSA-N 0 3 479.603 1.656 20 0 JDADHN CO[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCC(OC)CC2)C[C@@H]1OC ZINC001504488681 1071262758 /nfs/dbraw/zinc/26/27/58/1071262758.db2.gz AJSNQOQMABJMKZ-KDURUIRLSA-N 0 3 464.611 1.254 20 0 JDADHN CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CC1(C)C ZINC001504508824 1071282554 /nfs/dbraw/zinc/28/25/54/1071282554.db2.gz BFOUBRAQRPMHSE-CEXWTWQISA-N 0 3 469.652 1.278 20 0 JDADHN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC[C@@H]1C ZINC001504519630 1071295875 /nfs/dbraw/zinc/29/58/75/1071295875.db2.gz JAUVSBGIILGARU-YUXAGFNASA-N 0 3 486.665 1.944 20 0 JDADHN CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001503259984 1071307739 /nfs/dbraw/zinc/30/77/39/1071307739.db2.gz XHYKBKFMUGAYGE-OAQYLSRUSA-N 0 3 460.648 1.985 20 0 JDADHN CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CN2CCCCC2)C1 ZINC001503263201 1071318695 /nfs/dbraw/zinc/31/86/95/1071318695.db2.gz ZJXPBSCRFSUAIA-UFYCRDLUSA-N 0 3 469.652 1.749 20 0 JDADHN CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CN2CCCCC2)C1 ZINC001503263200 1071318862 /nfs/dbraw/zinc/31/88/62/1071318862.db2.gz ZJXPBSCRFSUAIA-AABGKKOBSA-N 0 3 469.652 1.749 20 0 JDADHN CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503264003 1071321472 /nfs/dbraw/zinc/32/14/72/1071321472.db2.gz VUWUMBZVJIWLNE-UHFFFAOYSA-N 0 3 488.658 1.242 20 0 JDADHN COCC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001504534998 1071333105 /nfs/dbraw/zinc/33/31/05/1071333105.db2.gz SJDOTXJWIZRTTH-LJQANCHMSA-N 0 3 486.646 1.799 20 0 JDADHN COCC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001504538524 1071351996 /nfs/dbraw/zinc/35/19/96/1071351996.db2.gz PJOOTEDFPUKTOB-XJUOHMSHSA-N 0 3 486.617 1.600 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503269372 1071350710 /nfs/dbraw/zinc/35/07/10/1071350710.db2.gz FTLMXFHRQDCUQN-SFHVURJKSA-N 0 3 465.624 1.103 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503270489 1071357705 /nfs/dbraw/zinc/35/77/05/1071357705.db2.gz QXLFHEZCBMGABY-LJQANCHMSA-N 0 3 494.637 1.914 20 0 JDADHN CCS(=O)(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC(C)(C)C2)CC1 ZINC001503271026 1071362236 /nfs/dbraw/zinc/36/22/36/1071362236.db2.gz WOCAHRQVKHPBGF-UHFFFAOYSA-N 0 3 483.683 1.446 20 0 JDADHN COCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001504540932 1071364339 /nfs/dbraw/zinc/36/43/39/1071364339.db2.gz QEKGGJPMFNYPNL-TZIWHRDSSA-N 0 3 456.591 1.816 20 0 JDADHN COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001504541189 1071365149 /nfs/dbraw/zinc/36/51/49/1071365149.db2.gz SKMDNVQTSCHISC-FQEVSTJZSA-N 0 3 491.681 1.541 20 0 JDADHN COCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001504546873 1071373379 /nfs/dbraw/zinc/37/33/79/1071373379.db2.gz BDFOORARWMCOEG-SFHVURJKSA-N 0 3 457.579 1.757 20 0 JDADHN CCS(=O)(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001503274152 1071378084 /nfs/dbraw/zinc/37/80/84/1071378084.db2.gz NGHXBPXCHQAKCZ-UHFFFAOYSA-N 0 3 481.667 1.298 20 0 JDADHN COC[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001504558829 1071382990 /nfs/dbraw/zinc/38/29/90/1071382990.db2.gz OIFZDHXPRUXDKN-SFHVURJKSA-N 0 3 457.579 1.757 20 0 JDADHN COC[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504568021 1071390254 /nfs/dbraw/zinc/39/02/54/1071390254.db2.gz MMZMCFWDRWMJDY-LJQANCHMSA-N 0 3 456.591 1.981 20 0 JDADHN COC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)OC ZINC001504576729 1071397478 /nfs/dbraw/zinc/39/74/78/1071397478.db2.gz BWZQUJBISUNACH-PKOBYXMFSA-N 0 3 473.578 1.276 20 0 JDADHN CCS(=O)(=O)NCCCn1c(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001503278554 1071407248 /nfs/dbraw/zinc/40/72/48/1071407248.db2.gz YKCYRDHTLICREN-QUCCMNQESA-N 0 3 497.710 1.284 20 0 JDADHN CCS(=O)(=O)NCCCn1c(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001503278555 1071407324 /nfs/dbraw/zinc/40/73/24/1071407324.db2.gz YKCYRDHTLICREN-UYAOXDASSA-N 0 3 497.710 1.284 20 0 JDADHN CCS(=O)(=O)NCCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001503278552 1071407389 /nfs/dbraw/zinc/40/73/89/1071407389.db2.gz YKCYRDHTLICREN-AZUAARDMSA-N 0 3 497.710 1.284 20 0 JDADHN COC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001504589092 1071426743 /nfs/dbraw/zinc/42/67/43/1071426743.db2.gz MWXNCGGAVMSNGU-RTWAWAEBSA-N 0 3 486.617 1.282 20 0 JDADHN CCS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001503284795 1071461046 /nfs/dbraw/zinc/46/10/46/1071461046.db2.gz ZEBJIOGTUMKMJR-GOSISDBHSA-N 0 3 494.637 1.637 20 0 JDADHN COC[C@H](F)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504608347 1071464719 /nfs/dbraw/zinc/46/47/19/1071464719.db2.gz MTZUEPGJCOPLOU-MSOLQXFVSA-N 0 3 450.584 1.658 20 0 JDADHN COC[C@@H](F)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504608353 1071464775 /nfs/dbraw/zinc/46/47/75/1071464775.db2.gz MTZUEPGJCOPLOU-ZWKOTPCHSA-N 0 3 450.584 1.658 20 0 JDADHN COC[C@@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504608623 1071465722 /nfs/dbraw/zinc/46/57/22/1071465722.db2.gz MJMBECQKJMYQJF-RBBKRZOGSA-N 0 3 488.608 1.799 20 0 JDADHN COCc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)ccc1F ZINC001504634454 1071495397 /nfs/dbraw/zinc/49/53/97/1071495397.db2.gz DLTQSZNIZZSLIY-IBGZPJMESA-N 0 3 474.581 1.909 20 0 JDADHN COCc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)ccc1F ZINC001504634457 1071495436 /nfs/dbraw/zinc/49/54/36/1071495436.db2.gz DLTQSZNIZZSLIY-LJQANCHMSA-N 0 3 474.581 1.909 20 0 JDADHN CC[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503296404 1071509902 /nfs/dbraw/zinc/50/99/02/1071509902.db2.gz NIDCRODACQVNDD-UJQZNKFNSA-N 0 3 480.038 1.505 20 0 JDADHN CC[S@](=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503301311 1071520573 /nfs/dbraw/zinc/52/05/73/1071520573.db2.gz QZANDFLHBIWVCA-VTLMBFNKSA-N 0 3 472.659 1.689 20 0 JDADHN CC[S@@](=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503301308 1071520519 /nfs/dbraw/zinc/52/05/19/1071520519.db2.gz QZANDFLHBIWVCA-AUSOSSAASA-N 0 3 472.659 1.689 20 0 JDADHN CC[S@](=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503302223 1071522729 /nfs/dbraw/zinc/52/27/29/1071522729.db2.gz WCPQCFQANQTDNI-XIFFEERXSA-N 0 3 476.622 1.521 20 0 JDADHN CC[S@](=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503313696 1071536571 /nfs/dbraw/zinc/53/65/71/1071536571.db2.gz PBEKXFVQELJLOQ-YTTGMZPUSA-N 0 3 462.595 1.597 20 0 JDADHN COC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)C1 ZINC001504693717 1071549104 /nfs/dbraw/zinc/54/91/04/1071549104.db2.gz UXZKSOIAGIIDBG-SFHVURJKSA-N 0 3 477.631 1.932 20 0 JDADHN COCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001504697252 1071549607 /nfs/dbraw/zinc/54/96/07/1071549607.db2.gz ADGQOVAQYIFIDP-RTBURBONSA-N 0 3 461.611 1.035 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001503357404 1071558968 /nfs/dbraw/zinc/55/89/68/1071558968.db2.gz JOMHAMBABAKSET-IBGZPJMESA-N 0 3 489.665 1.737 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Nc2ccn(C)n2)nnc1C(=O)Nc1ccccn1 ZINC001503357411 1071558532 /nfs/dbraw/zinc/55/85/32/1071558532.db2.gz JTAOTQVFXQUJND-INIZCTEOSA-N 0 3 466.550 1.345 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001503358370 1071566432 /nfs/dbraw/zinc/56/64/32/1071566432.db2.gz UXKBXYRPXIXJDF-ROUUACIJSA-N 0 3 499.582 1.678 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CC(F)C1 ZINC001503358451 1071566626 /nfs/dbraw/zinc/56/66/26/1071566626.db2.gz HPTVNBXSDGFPEE-ACBHZAAOSA-N 0 3 463.602 1.641 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCOC1 ZINC001503359174 1071569295 /nfs/dbraw/zinc/56/92/95/1071569295.db2.gz KBOVZLHMESTMLE-NHCUHLMSSA-N 0 3 455.607 1.679 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCO1 ZINC001503359857 1071572577 /nfs/dbraw/zinc/57/25/77/1071572577.db2.gz ODNLGCOTWXKISW-RTWAWAEBSA-N 0 3 455.607 1.822 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCCOC1 ZINC001503361685 1071577793 /nfs/dbraw/zinc/57/77/93/1071577793.db2.gz XUXWHKJZVOVSII-QRVBRYPASA-N 0 3 461.611 1.035 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001503361682 1071577873 /nfs/dbraw/zinc/57/78/73/1071577873.db2.gz XUXWHKJZVOVSII-FHWLQOOXSA-N 0 3 461.611 1.035 20 0 JDADHN CN(C)C(=O)CCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503363812 1071586645 /nfs/dbraw/zinc/58/66/45/1071586645.db2.gz IAFSPLJVDYJFMF-UHFFFAOYSA-N 0 3 473.647 1.543 20 0 JDADHN CN(C)C(=O)CCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503364797 1071588902 /nfs/dbraw/zinc/58/89/02/1071588902.db2.gz SOWORWMKWBZVJO-QFIPXVFZSA-N 0 3 497.644 1.511 20 0 JDADHN COC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001504723528 1071589219 /nfs/dbraw/zinc/58/92/19/1071589219.db2.gz DMFYXMABCGOGBG-UXHICEINSA-N 0 3 457.623 1.915 20 0 JDADHN CN(C)C(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503367448 1071595609 /nfs/dbraw/zinc/59/56/09/1071595609.db2.gz NMNFMSMSFWRTCF-UHFFFAOYSA-N 0 3 487.580 1.219 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001504728380 1071597147 /nfs/dbraw/zinc/59/71/47/1071597147.db2.gz WRQYTFXFKIKTRF-XUVXKRRUSA-N 0 3 458.563 1.392 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001504728369 1071597177 /nfs/dbraw/zinc/59/71/77/1071597177.db2.gz WRQYTFXFKIKTRF-SLFFLAALSA-N 0 3 458.563 1.392 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)C[C@H](C)O1 ZINC001504729447 1071598913 /nfs/dbraw/zinc/59/89/13/1071598913.db2.gz OHPZRAPQQIBGOE-HAGHYFMRSA-N 0 3 469.652 1.542 20 0 JDADHN CN(C)C(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503371097 1071603892 /nfs/dbraw/zinc/60/38/92/1071603892.db2.gz WYJDCURBKSEXSL-SVFBPWRDSA-N 0 3 489.665 1.418 20 0 JDADHN COC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001504736342 1071611511 /nfs/dbraw/zinc/61/15/11/1071611511.db2.gz TXNLZMOFGSTYPT-HXUWFJFHSA-N 0 3 460.627 1.017 20 0 JDADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504738316 1071615551 /nfs/dbraw/zinc/61/55/51/1071615551.db2.gz DPKHPRQMEGXTGF-MHTWAQMVSA-N 0 3 480.654 1.268 20 0 JDADHN COC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001504737044 1071612803 /nfs/dbraw/zinc/61/28/03/1071612803.db2.gz XXRQZKDTXCKNIS-GHTZIAJQSA-N 0 3 474.581 1.912 20 0 JDADHN COCC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC2CC2)CC1 ZINC001504748780 1071627688 /nfs/dbraw/zinc/62/76/88/1071627688.db2.gz IAVYEGHOZHGMEA-QHCPKHFHSA-N 0 3 477.631 1.668 20 0 JDADHN COCC[C@@](C)(O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001504751257 1071633408 /nfs/dbraw/zinc/63/34/08/1071633408.db2.gz LBYQEPPBHBHCRH-NTKDMRAZSA-N 0 3 459.591 1.900 20 0 JDADHN CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccc(F)cc1 ZINC001503379651 1071634786 /nfs/dbraw/zinc/63/47/86/1071634786.db2.gz CAISTYREYLGJOR-JPYJTQIMSA-N 0 3 457.554 1.544 20 0 JDADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccc(F)cc1 ZINC001503379654 1071634928 /nfs/dbraw/zinc/63/49/28/1071634928.db2.gz CAISTYREYLGJOR-MBSDFSHPSA-N 0 3 457.554 1.544 20 0 JDADHN CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccsc1 ZINC001503380072 1071635489 /nfs/dbraw/zinc/63/54/89/1071635489.db2.gz ICGNYJHNOPKOLX-GOSISDBHSA-N 0 3 478.648 1.561 20 0 JDADHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1cccc(F)c1 ZINC001503380464 1071636132 /nfs/dbraw/zinc/63/61/32/1071636132.db2.gz HOXZTKAYJVSRMQ-FQEVSTJZSA-N 0 3 498.611 1.644 20 0 JDADHN CN(C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1)c1ccc(F)cc1 ZINC001503380442 1071636178 /nfs/dbraw/zinc/63/61/78/1071636178.db2.gz HLYCFAFSXZWEOP-VQTJNVASSA-N 0 3 478.594 1.819 20 0 JDADHN CN(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1)c1ccc(F)cc1 ZINC001503380440 1071636329 /nfs/dbraw/zinc/63/63/29/1071636329.db2.gz HLYCFAFSXZWEOP-UXHICEINSA-N 0 3 478.594 1.819 20 0 JDADHN CN(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC001503381146 1071636906 /nfs/dbraw/zinc/63/69/06/1071636906.db2.gz KZMLFEAVLQNNRU-OAQYLSRUSA-N 0 3 469.615 1.648 20 0 JDADHN CN(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC001503381723 1071636980 /nfs/dbraw/zinc/63/69/80/1071636980.db2.gz MJKORGQZOMHVCK-GOSISDBHSA-N 0 3 475.644 1.710 20 0 JDADHN CN(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccc(F)c1 ZINC001503381496 1071637495 /nfs/dbraw/zinc/63/74/95/1071637495.db2.gz BYOJUCWGPMUTBF-PKOBYXMFSA-N 0 3 466.583 1.306 20 0 JDADHN COCC[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504753314 1071637792 /nfs/dbraw/zinc/63/77/92/1071637792.db2.gz DODMLYFLPKYTFR-AUSIDOKSSA-N 0 3 464.611 1.052 20 0 JDADHN CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC001503383855 1071640528 /nfs/dbraw/zinc/64/05/28/1071640528.db2.gz WZOOZHVVDVKHGS-FQEVSTJZSA-N 0 3 488.593 1.649 20 0 JDADHN CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C(N)=O)CC2)CCCC1 ZINC001503385770 1071643282 /nfs/dbraw/zinc/64/32/82/1071643282.db2.gz GAYAQSRBPQDPGV-UHFFFAOYSA-N 0 3 474.631 1.925 20 0 JDADHN CN(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 ZINC001503387303 1071645555 /nfs/dbraw/zinc/64/55/55/1071645555.db2.gz JBTOBTAZEIXLLH-OALUTQOASA-N 0 3 455.563 1.003 20 0 JDADHN CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCC1 ZINC001503386603 1071644625 /nfs/dbraw/zinc/64/46/25/1071644625.db2.gz LYWIAZPAWGAPDL-SFHVURJKSA-N 0 3 495.694 1.685 20 0 JDADHN CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(F)F)CC2)CCSC1 ZINC001503386855 1071644935 /nfs/dbraw/zinc/64/49/35/1071644935.db2.gz MNWMCSDNUPHTIS-NRFANRHFSA-N 0 3 480.589 1.750 20 0 JDADHN CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCOCC2)CCOCC1 ZINC001503386851 1071644969 /nfs/dbraw/zinc/64/49/69/1071644969.db2.gz MLNZZBDBVGIXAH-UHFFFAOYSA-N 0 3 463.604 1.686 20 0 JDADHN CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)CCSC1 ZINC001503388454 1071646803 /nfs/dbraw/zinc/64/68/03/1071646803.db2.gz ZMMMOJNFZHCPDS-HSZRJFAPSA-N 0 3 486.646 1.845 20 0 JDADHN COCC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001504758197 1071648821 /nfs/dbraw/zinc/64/88/21/1071648821.db2.gz FRTXZNIPMSYKSI-NTKDMRAZSA-N 0 3 458.607 1.741 20 0 JDADHN CN(C)CC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001503397759 1071656918 /nfs/dbraw/zinc/65/69/18/1071656918.db2.gz GDHMMBOPXIXBOB-LJQANCHMSA-N 0 3 490.678 1.663 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001503400333 1071660882 /nfs/dbraw/zinc/66/08/82/1071660882.db2.gz RZAWIAIGSJIIEF-HXUWFJFHSA-N 0 3 494.706 1.997 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001503400490 1071661652 /nfs/dbraw/zinc/66/16/52/1071661652.db2.gz UIQLIUBEUNTTRV-MSOLQXFVSA-N 0 3 482.695 1.899 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001503400884 1071662180 /nfs/dbraw/zinc/66/21/80/1071662180.db2.gz XAAAOMGVGVWKJN-KRWDZBQOSA-N 0 3 457.641 1.603 20 0 JDADHN CN(C)S(=O)(=O)c1cccc(-c2nnc(Nc3cnn(C)c3)n2CCN2CC=CCC2)c1 ZINC001503405602 1071675159 /nfs/dbraw/zinc/67/51/59/1071675159.db2.gz LEBRNHYXFVXEGC-UHFFFAOYSA-N 0 3 456.576 1.934 20 0 JDADHN COCCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 ZINC001504816182 1071691107 /nfs/dbraw/zinc/69/11/07/1071691107.db2.gz IWYRZADRBOXDKY-SFHVURJKSA-N 0 3 484.667 1.887 20 0 JDADHN COCCCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001504816396 1071692338 /nfs/dbraw/zinc/69/23/38/1071692338.db2.gz BSIVOIKOYQSGJI-RBUKOAKNSA-N 0 3 496.678 1.524 20 0 JDADHN COCCCN(c1nnc(-c2cnccn2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001504816854 1071693821 /nfs/dbraw/zinc/69/38/21/1071693821.db2.gz GJXKYUKFAIUIOQ-SFHVURJKSA-N 0 3 477.635 1.640 20 0 JDADHN COCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504828327 1071711757 /nfs/dbraw/zinc/71/17/57/1071711757.db2.gz WKFNRTVITMNORW-SIKLNZKXSA-N 0 3 455.607 1.679 20 0 JDADHN COCCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001504833952 1071728536 /nfs/dbraw/zinc/72/85/36/1071728536.db2.gz OJYSZKMVERCVKM-HOKHCIIBSA-N 0 3 492.665 1.734 20 0 JDADHN COCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 ZINC001504846212 1071741668 /nfs/dbraw/zinc/74/16/68/1071741668.db2.gz FCFZGIULIZSRMA-RTWAWAEBSA-N 0 3 461.632 1.827 20 0 JDADHN CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)(C)C)CCCCC1 ZINC001503441691 1071757823 /nfs/dbraw/zinc/75/78/23/1071757823.db2.gz NXDXRLANMHCFMN-KRWDZBQOSA-N 0 3 468.668 1.796 20 0 JDADHN CN(C)C1(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC001503446678 1071766119 /nfs/dbraw/zinc/76/61/19/1071766119.db2.gz CLQWQPUSKMIWBR-QGZVFWFLSA-N 0 3 452.625 1.288 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001504856906 1071772332 /nfs/dbraw/zinc/77/23/32/1071772332.db2.gz HRICFTCDAVBMNN-FHWLQOOXSA-N 0 3 491.637 1.643 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001504857070 1071774062 /nfs/dbraw/zinc/77/40/62/1071774062.db2.gz JNVGSYMLJLRLII-UYAOXDASSA-N 0 3 475.638 1.282 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001504857326 1071774605 /nfs/dbraw/zinc/77/46/05/1071774605.db2.gz MHXQKHROMXXJBA-RTBURBONSA-N 0 3 484.605 1.366 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001504857290 1071775158 /nfs/dbraw/zinc/77/51/58/1071775158.db2.gz JKBDRLZITREZJA-SFHVURJKSA-N 0 3 462.620 1.774 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001504857323 1071775440 /nfs/dbraw/zinc/77/54/40/1071775440.db2.gz MHXQKHROMXXJBA-RBUKOAKNSA-N 0 3 484.605 1.366 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001504857568 1071777676 /nfs/dbraw/zinc/77/76/76/1071777676.db2.gz PNCLQRIGNVASND-RTBURBONSA-N 0 3 493.653 1.891 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001504857782 1071779048 /nfs/dbraw/zinc/77/90/48/1071779048.db2.gz RVBUOVUCVVYIHH-ROUUACIJSA-N 0 3 479.626 1.282 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001504857183 1071773849 /nfs/dbraw/zinc/77/38/49/1071773849.db2.gz HYXXXNMCYGGTSO-HXUWFJFHSA-N 0 3 471.606 1.176 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001504857896 1071780986 /nfs/dbraw/zinc/78/09/86/1071780986.db2.gz RKRONQRLMXTWRI-HXUWFJFHSA-N 0 3 474.581 1.852 20 0 JDADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001504857905 1071781031 /nfs/dbraw/zinc/78/10/31/1071781031.db2.gz RNUGRSMCCXYRRX-ZWKOTPCHSA-N 0 3 472.656 1.062 20 0 JDADHN COCCN(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cccnn2)CC1 ZINC001504858106 1071782316 /nfs/dbraw/zinc/78/23/16/1071782316.db2.gz UYUSFYXTPUFRIQ-UHFFFAOYSA-N 0 3 454.554 1.703 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001504858520 1071783216 /nfs/dbraw/zinc/78/32/16/1071783216.db2.gz ZGUZTYXCLBOMJO-QFIPXVFZSA-N 0 3 490.674 1.760 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001504858920 1071784242 /nfs/dbraw/zinc/78/42/42/1071784242.db2.gz NMECIQWFGZPHPT-NTKDMRAZSA-N 0 3 459.591 1.840 20 0 JDADHN CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503464833 1071784530 /nfs/dbraw/zinc/78/45/30/1071784530.db2.gz GXDLRSYXGJMEAM-OAQYLSRUSA-N 0 3 469.634 1.933 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccc2OC)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001504858738 1071784584 /nfs/dbraw/zinc/78/45/84/1071784584.db2.gz HSJJPQQPROUIBQ-UHFFFAOYSA-N 0 3 456.591 1.562 20 0 JDADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(C)c2C)CC1 ZINC001504858900 1071784694 /nfs/dbraw/zinc/78/46/94/1071784694.db2.gz NFJQWOVPGRZUAB-UHFFFAOYSA-N 0 3 469.634 1.922 20 0 JDADHN COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001504859249 1071787273 /nfs/dbraw/zinc/78/72/73/1071787273.db2.gz XLDJSKMECXXOMI-SFHVURJKSA-N 0 3 472.560 1.791 20 0 JDADHN COCCN(C)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001504859208 1071787764 /nfs/dbraw/zinc/78/77/64/1071787764.db2.gz WJQBFPPXPQGBEG-UHFFFAOYSA-N 0 3 463.627 1.163 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001504860204 1071791481 /nfs/dbraw/zinc/79/14/81/1071791481.db2.gz CQAFNEJOHSNKJW-YADARESESA-N 0 3 494.637 1.924 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001504860235 1071792316 /nfs/dbraw/zinc/79/23/16/1071792316.db2.gz DSAKZKVOMKLWOW-QUCCMNQESA-N 0 3 493.653 1.985 20 0 JDADHN COCCN(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)=O)CC1 ZINC001504861823 1071800454 /nfs/dbraw/zinc/80/04/54/1071800454.db2.gz RJSZOMHGSVHXKS-KDURUIRLSA-N 0 3 479.626 1.296 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001504862338 1071801986 /nfs/dbraw/zinc/80/19/86/1071801986.db2.gz UVYWLANGTDZIJM-LJQANCHMSA-N 0 3 461.567 1.403 20 0 JDADHN CN(Cc1ccccn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO ZINC001503491169 1071805819 /nfs/dbraw/zinc/80/58/19/1071805819.db2.gz MDALQDNWDUQXQX-UYAOXDASSA-N 0 3 462.620 1.449 20 0 JDADHN COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001504893412 1071817649 /nfs/dbraw/zinc/81/76/49/1071817649.db2.gz BXSJZFKJJCICOH-FQEVSTJZSA-N 0 3 494.637 1.782 20 0 JDADHN CN(Cc1ncc(Cl)n1C)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503514317 1071817753 /nfs/dbraw/zinc/81/77/53/1071817753.db2.gz UPKNFQFLWIVQOF-UHFFFAOYSA-N 0 3 478.045 1.563 20 0 JDADHN COCCn1c(COc2ccccc2OC)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504895823 1071821028 /nfs/dbraw/zinc/82/10/28/1071821028.db2.gz HQTSPZXPXINLTB-FPOVZHCZSA-N 0 3 486.617 1.891 20 0 JDADHN CN(Cc1nccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 ZINC001503517298 1071819983 /nfs/dbraw/zinc/81/99/83/1071819983.db2.gz FTXBWTAVBGWMDK-MRXNPFEDSA-N 0 3 469.637 1.190 20 0 JDADHN CN(C[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN2CC=CCC2)C1)S(C)(=O)=O ZINC001503548839 1071841886 /nfs/dbraw/zinc/84/18/86/1071841886.db2.gz UXPTTXYDVCSMLR-MOPGFXCFSA-N 0 3 452.625 1.152 20 0 JDADHN COCCN1C[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1=O ZINC001504906095 1071849424 /nfs/dbraw/zinc/84/94/24/1071849424.db2.gz OHOVWRGBACWALR-FGZHOGPDSA-N 0 3 489.709 1.966 20 0 JDADHN CN(CC1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CCCO ZINC001503560871 1071850859 /nfs/dbraw/zinc/85/08/59/1071850859.db2.gz YVYIZTLZJBETLH-LJQANCHMSA-N 0 3 457.579 1.635 20 0 JDADHN CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001503594714 1071870686 /nfs/dbraw/zinc/87/06/86/1071870686.db2.gz HUCMNQRGAWTTFB-RTBURBONSA-N 0 3 491.637 1.645 20 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COCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 ZINC001504918345 1071886287 /nfs/dbraw/zinc/88/62/87/1071886287.db2.gz DPNBMJRJPSETOO-MZKRTTBSSA-N 0 3 482.695 1.459 20 0 JDADHN COCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)C[C@@H]1C ZINC001504920202 1071891740 /nfs/dbraw/zinc/89/17/40/1071891740.db2.gz OJICUYBMMYPZKA-KSEOMHKRSA-N 0 3 496.722 1.848 20 0 JDADHN CN(CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001503609486 1071892812 /nfs/dbraw/zinc/89/28/12/1071892812.db2.gz RKAVINDWCKZKIP-UHFFFAOYSA-N 0 3 474.610 1.847 20 0 JDADHN CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1)Cc1ccc(F)cc1 ZINC001503610024 1071893335 /nfs/dbraw/zinc/89/33/35/1071893335.db2.gz AIRMQFIBADAWHT-IBGZPJMESA-N 0 3 466.583 1.482 20 0 JDADHN CN(CCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001503610035 1071893354 /nfs/dbraw/zinc/89/33/54/1071893354.db2.gz AMWSDOUXJWZLJG-RTBURBONSA-N 0 3 464.611 1.807 20 0 JDADHN CN(CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)CC(F)(F)F ZINC001503609721 1071893375 /nfs/dbraw/zinc/89/33/75/1071893375.db2.gz WHDUUJUZMDGWDW-UHFFFAOYSA-N 0 3 468.528 1.512 20 0 JDADHN CN(CCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)Cc1ccc(F)cc1 ZINC001503610846 1071894926 /nfs/dbraw/zinc/89/49/26/1071894926.db2.gz JNXCKOVUNIGGLR-IBGZPJMESA-N 0 3 494.637 1.913 20 0 JDADHN COCCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001504924134 1071905885 /nfs/dbraw/zinc/90/58/85/1071905885.db2.gz ODRIQHOWJCQYLN-NRFANRHFSA-N 0 3 473.597 1.611 20 0 JDADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)C1 ZINC001504925499 1071913309 /nfs/dbraw/zinc/91/33/09/1071913309.db2.gz CVHBFOHRRDAMGU-SLFFLAALSA-N 0 3 498.632 1.777 20 0 JDADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)C1 ZINC001504925504 1071913360 /nfs/dbraw/zinc/91/33/60/1071913360.db2.gz CVHBFOHRRDAMGU-XUVXKRRUSA-N 0 3 498.632 1.777 20 0 JDADHN 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CC(=O)NC[C@H]1CN(c2nnc(COc3ccccc3F)n2CCN2CCCCC2)CCO1 ZINC001508380930 1073174437 /nfs/dbraw/zinc/17/44/37/1073174437.db2.gz FQVZJESDWLCQRJ-IBGZPJMESA-N 0 3 460.554 1.823 20 0 JDADHN CC(=O)NCCCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001508389778 1073199511 /nfs/dbraw/zinc/19/95/11/1073199511.db2.gz MNMCLSLBWXTXRV-XXBNENTESA-N 0 3 467.618 1.850 20 0 JDADHN CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCCC2)CC1 ZINC001508397520 1073207785 /nfs/dbraw/zinc/20/77/85/1073207785.db2.gz FDERRBHDJDZQIX-UHFFFAOYSA-N 0 3 459.620 1.860 20 0 JDADHN CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001508400012 1073210657 /nfs/dbraw/zinc/21/06/57/1073210657.db2.gz VTHPVCBQDHYSQU-XMSQKQJNSA-N 0 3 487.674 1.836 20 0 JDADHN CC(=O)NCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508401689 1073212902 /nfs/dbraw/zinc/21/29/02/1073212902.db2.gz RCSBUBYGDZKGHS-QFIPXVFZSA-N 0 3 483.617 1.435 20 0 JDADHN 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CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001508612991 1073286569 /nfs/dbraw/zinc/28/65/69/1073286569.db2.gz IFAMQYRZHDDPOJ-LJQANCHMSA-N 0 3 495.694 1.240 20 0 JDADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)CC1 ZINC001508621624 1073288862 /nfs/dbraw/zinc/28/88/62/1073288862.db2.gz CFKXXCFVMCPEOT-IBGZPJMESA-N 0 3 462.620 1.580 20 0 JDADHN CC(C)(C)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)CC1 ZINC001508621627 1073288943 /nfs/dbraw/zinc/28/89/43/1073288943.db2.gz CFKXXCFVMCPEOT-LJQANCHMSA-N 0 3 462.620 1.580 20 0 JDADHN CC(C)(C)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)F)CC1 ZINC001508623709 1073290478 /nfs/dbraw/zinc/29/04/78/1073290478.db2.gz OYQTUBMICIKUJE-CYBMUJFWSA-N 0 3 454.519 1.094 20 0 JDADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001508623225 1073290566 /nfs/dbraw/zinc/29/05/66/1073290566.db2.gz LPDNDVBJHCEGLQ-GOSISDBHSA-N 0 3 475.619 1.128 20 0 JDADHN CC(C)(C)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2)CC1 ZINC001508624725 1073292034 /nfs/dbraw/zinc/29/20/34/1073292034.db2.gz XRWWQAUJAYFYIP-HXUWFJFHSA-N 0 3 494.637 1.913 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 ZINC001508624707 1073292074 /nfs/dbraw/zinc/29/20/74/1073292074.db2.gz XQLPOCKDJHFODK-UHFFFAOYSA-N 0 3 450.547 1.568 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001508624875 1073292320 /nfs/dbraw/zinc/29/23/20/1073292320.db2.gz ZYXYCJMKOUVKMW-UHFFFAOYSA-N 0 3 493.703 1.563 20 0 JDADHN CC(C)(C)OC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001508660674 1073319373 /nfs/dbraw/zinc/31/93/73/1073319373.db2.gz AFRQLMNNICEUMI-LJQANCHMSA-N 0 3 491.637 1.587 20 0 JDADHN CC(C)(C)OC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001508660672 1073319577 /nfs/dbraw/zinc/31/95/77/1073319577.db2.gz AFRQLMNNICEUMI-IBGZPJMESA-N 0 3 491.637 1.587 20 0 JDADHN CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCCC2)CCO1 ZINC001508665584 1073322926 /nfs/dbraw/zinc/32/29/26/1073322926.db2.gz DFKVLQBCGVQQJT-LJQANCHMSA-N 0 3 491.637 1.730 20 0 JDADHN CC(C)(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001508694131 1073339336 /nfs/dbraw/zinc/33/93/36/1073339336.db2.gz XLCXRPYPMGJNEN-FQEVSTJZSA-N 0 3 498.694 1.881 20 0 JDADHN CC(C)(C)[S@](=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508701142 1073343072 /nfs/dbraw/zinc/34/30/72/1073343072.db2.gz UESHBFKXCBSWTK-UUWRZZSWSA-N 0 3 487.674 1.556 20 0 JDADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(CC3CC3)CC2)n1CCNS(C)(=O)=O ZINC001508702014 1073343796 /nfs/dbraw/zinc/34/37/96/1073343796.db2.gz KTTTYIQLFSIQEP-QZTJIDSGSA-N 0 3 454.641 1.278 20 0 JDADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCNS(C)(=O)=O ZINC001508708679 1073346948 /nfs/dbraw/zinc/34/69/48/1073346948.db2.gz GTBOEKSGPALEDX-WOJBJXKFSA-N 0 3 498.694 1.295 20 0 JDADHN CC(C)(CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001508719933 1073350485 /nfs/dbraw/zinc/35/04/85/1073350485.db2.gz BXQCGVJGQUFGBQ-DLBZAZTESA-N 0 3 452.625 1.004 20 0 JDADHN CC(C)(CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001508723302 1073351414 /nfs/dbraw/zinc/35/14/14/1073351414.db2.gz VJLSDFXNTHGZEE-LJQANCHMSA-N 0 3 494.706 1.997 20 0 JDADHN CC(C)C(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508771799 1073366140 /nfs/dbraw/zinc/36/61/40/1073366140.db2.gz DDSRARUKTFQLPW-PMACEKPBSA-N 0 3 459.639 1.839 20 0 JDADHN CC(C)C(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508803520 1073387143 /nfs/dbraw/zinc/38/71/43/1073387143.db2.gz NMXZLDYNBKTACZ-LJQANCHMSA-N 0 3 461.655 1.772 20 0 JDADHN CC(C)C(=O)NCCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001508812459 1073391451 /nfs/dbraw/zinc/39/14/51/1073391451.db2.gz OEJUURYEGAUWCA-UHFFFAOYSA-N 0 3 495.676 1.751 20 0 JDADHN CC(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001508822748 1073399304 /nfs/dbraw/zinc/39/93/04/1073399304.db2.gz VZHUWEURFCXWDU-UHFFFAOYSA-N 0 3 455.607 1.585 20 0 JDADHN CC(C)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001508838427 1073409173 /nfs/dbraw/zinc/40/91/73/1073409173.db2.gz OURGJYRXFFUWRJ-PMACEKPBSA-N 0 3 498.694 1.452 20 0 JDADHN CC(C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001508851563 1073416583 /nfs/dbraw/zinc/41/65/83/1073416583.db2.gz OWZZBNMESDGCKE-CVDCTZTESA-N 0 3 458.611 1.434 20 0 JDADHN CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001508954103 1073453308 /nfs/dbraw/zinc/45/33/08/1073453308.db2.gz VCEPDMZPBNEDNA-SFHVURJKSA-N 0 3 460.627 1.194 20 0 JDADHN CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001508967565 1073456733 /nfs/dbraw/zinc/45/67/33/1073456733.db2.gz KEZVZEOUIOCOMX-UHFFFAOYSA-N 0 3 484.649 1.969 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCN(C)Cc1ccccc1 ZINC001508993751 1073466379 /nfs/dbraw/zinc/46/63/79/1073466379.db2.gz VUKFDUAZQOZXRP-UHFFFAOYSA-N 0 3 467.618 1.805 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001508994518 1073466943 /nfs/dbraw/zinc/46/69/43/1073466943.db2.gz UXEHLAHSSPZEKB-UHFFFAOYSA-N 0 3 459.639 1.939 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001508994351 1073466981 /nfs/dbraw/zinc/46/69/81/1073466981.db2.gz RFNQVOZFPCTYRU-UHFFFAOYSA-N 0 3 497.644 1.661 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC(=O)NC1CCCCC1 ZINC001508996448 1073468850 /nfs/dbraw/zinc/46/88/50/1073468850.db2.gz MPFIDGUZOYCVNX-FQEVSTJZSA-N 0 3 459.639 1.983 20 0 JDADHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001509015842 1073480341 /nfs/dbraw/zinc/48/03/41/1073480341.db2.gz VYNBNFYJUVENGB-LJQANCHMSA-N 0 3 454.641 1.232 20 0 JDADHN CC(C)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC1 ZINC001509062338 1073486574 /nfs/dbraw/zinc/48/65/74/1073486574.db2.gz NRVQFQKCRRDMMF-HXUWFJFHSA-N 0 3 468.668 1.969 20 0 JDADHN CC(C)CC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001509119604 1073507813 /nfs/dbraw/zinc/50/78/13/1073507813.db2.gz OSFJREWOKISPNL-LJQANCHMSA-N 0 3 459.639 1.985 20 0 JDADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001509175993 1073518708 /nfs/dbraw/zinc/51/87/08/1073518708.db2.gz FJQYQHIXHMCVAM-FQEVSTJZSA-N 0 3 453.653 1.850 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001509207561 1073531087 /nfs/dbraw/zinc/53/10/87/1073531087.db2.gz KENMIOJRAOYLSS-HXUWFJFHSA-N 0 3 454.623 1.729 20 0 JDADHN CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001509222224 1073539999 /nfs/dbraw/zinc/53/99/99/1073539999.db2.gz LLCGXSOSBAMHIM-FQEVSTJZSA-N 0 3 461.655 1.724 20 0 JDADHN CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001509259015 1073549226 /nfs/dbraw/zinc/54/92/26/1073549226.db2.gz ALWVOHDQSRZIFU-ZJSXRUAMSA-N 0 3 497.706 1.916 20 0 JDADHN CC(C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001509346058 1073566978 /nfs/dbraw/zinc/56/69/78/1073566978.db2.gz BYGNHOTXGIRZTR-LEWJYISDSA-N 0 3 462.639 1.978 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001509402872 1073577879 /nfs/dbraw/zinc/57/78/79/1073577879.db2.gz LAHSJVQFIJZTGI-UHFFFAOYSA-N 0 3 456.595 1.866 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 ZINC001509402811 1073577986 /nfs/dbraw/zinc/57/79/86/1073577986.db2.gz KBLMVSLUPSWTLU-IBGZPJMESA-N 0 3 458.611 1.595 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2c3ccccc3[nH]c2=O)CC1 ZINC001509404539 1073581021 /nfs/dbraw/zinc/58/10/21/1073581021.db2.gz KZFWBUFZDNSBQU-KRWDZBQOSA-N 0 3 490.634 1.422 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC(C)CC2)CC1=O ZINC001509404618 1073581649 /nfs/dbraw/zinc/58/16/49/1073581649.db2.gz 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468.668 1.825 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1=O ZINC001509427650 1073602359 /nfs/dbraw/zinc/60/23/59/1073602359.db2.gz JRBPDSWBZQTNGY-NJDAHSKKSA-N 0 3 489.665 1.418 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1=O ZINC001509430066 1073606917 /nfs/dbraw/zinc/60/69/17/1073606917.db2.gz OYZHEAMQPXYBME-NJDAHSKKSA-N 0 3 494.706 1.853 20 0 JDADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC2CC2)CC1 ZINC001509432201 1073609525 /nfs/dbraw/zinc/60/95/25/1073609525.db2.gz KYZDMYGGAQZICJ-UHFFFAOYSA-N 0 3 459.620 1.574 20 0 JDADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001509432657 1073612312 /nfs/dbraw/zinc/61/23/12/1073612312.db2.gz MWQHOUJMYHRDGB-IBGZPJMESA-N 0 3 475.663 1.768 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001509434249 1073616661 /nfs/dbraw/zinc/61/66/61/1073616661.db2.gz ZTUMDOKFVRPLLY-OAQYLSRUSA-N 0 3 492.646 1.896 20 0 JDADHN CC(C)COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001509464229 1073638458 /nfs/dbraw/zinc/63/84/58/1073638458.db2.gz FRNJGZDIYCRFEO-IBGZPJMESA-N 0 3 463.627 1.222 20 0 JDADHN CC(C)CSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001509497673 1073650436 /nfs/dbraw/zinc/65/04/36/1073650436.db2.gz ZQMZNSBAAMVOHL-UHFFFAOYSA-N 0 3 465.668 1.550 20 0 JDADHN CC(C)CSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001509497031 1073650684 /nfs/dbraw/zinc/65/06/84/1073650684.db2.gz SWLJJSWSODWLLC-UHFFFAOYSA-N 0 3 477.679 1.648 20 0 JDADHN CC(C)N1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001509557955 1073681092 /nfs/dbraw/zinc/68/10/92/1073681092.db2.gz SYMRBOVLIQSTET-QZTJIDSGSA-N 0 3 452.625 1.258 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001509562376 1073683806 /nfs/dbraw/zinc/68/38/06/1073683806.db2.gz NBLZWRGDOLNNHL-FIKGOQFSSA-N 0 3 452.625 1.002 20 0 JDADHN 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CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001501903948 1069776519 /nfs/dbraw/zinc/77/65/19/1069776519.db2.gz ORFQTABFYUHRAU-NRFANRHFSA-N 0 3 496.616 1.226 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C/C=C/c2ccccc2)CC1 ZINC001501904166 1069779619 /nfs/dbraw/zinc/77/96/19/1069779619.db2.gz XCPLLSRMAMTPOB-OGECGYFKSA-N 0 3 465.602 1.933 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)c2nccs2)CC1 ZINC001501903976 1069777206 /nfs/dbraw/zinc/77/72/06/1069777206.db2.gz PQJLONOQRQHQAZ-DLBZAZTESA-N 0 3 474.635 1.480 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCCn2cccn2)CC1 ZINC001501904091 1069779675 /nfs/dbraw/zinc/77/96/75/1069779675.db2.gz UIKUUOXCTJKETM-UHFFFAOYSA-N 0 3 451.579 1.617 20 0 JDADHN O=C(Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001476809299 1069778469 /nfs/dbraw/zinc/77/84/69/1069778469.db2.gz YBIASSHZPSOCRX-QZTJIDSGSA-N 0 3 455.481 1.705 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCSC2)CC1 ZINC001501903983 1069778880 /nfs/dbraw/zinc/77/88/80/1069778880.db2.gz PUNYYQJYASQTJQ-HSZRJFAPSA-N 0 3 476.622 1.943 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C/C=C/c2ccccc2)CC1 ZINC001501904165 1069779886 /nfs/dbraw/zinc/77/98/86/1069779886.db2.gz XCPLLSRMAMTPOB-MAIVGLDJSA-N 0 3 465.602 1.933 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnn(C)c2)CC1 ZINC001501906422 1069783027 /nfs/dbraw/zinc/78/30/27/1069783027.db2.gz CUTPDARLGNJZCE-UHFFFAOYSA-N 0 3 468.581 1.780 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001501906437 1069783690 /nfs/dbraw/zinc/78/36/90/1069783690.db2.gz DKBSJZCETPFHGP-RBBKRZOGSA-N 0 3 485.633 1.306 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2scnc2C)CC1 ZINC001501904199 1069780414 /nfs/dbraw/zinc/78/04/14/1069780414.db2.gz YGVZULSPPNLMJE-KRWDZBQOSA-N 0 3 474.635 1.227 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCCC2CCOCC2)CC1 ZINC001501904229 1069782108 /nfs/dbraw/zinc/78/21/08/1069782108.db2.gz ZOQGVDNHFJSAHN-UHFFFAOYSA-N 0 3 470.622 1.932 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2Cc2nncn2C)CC1 ZINC001501906494 1069785538 /nfs/dbraw/zinc/78/55/38/1069785538.db2.gz GONBXYBKBWFFNL-UHFFFAOYSA-N 0 3 469.569 1.175 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCOCC3)CC2)CC1 ZINC001501906446 1069785664 /nfs/dbraw/zinc/78/56/64/1069785664.db2.gz DNYBIYQOKXFETJ-UHFFFAOYSA-N 0 3 475.682 1.722 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)CC1 ZINC001501906597 1069786692 /nfs/dbraw/zinc/78/66/92/1069786692.db2.gz IWKCAVXKUSSSHI-INIZCTEOSA-N 0 3 494.584 1.513 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnn(CC)c2)CC1 ZINC001501906640 1069788177 /nfs/dbraw/zinc/78/81/77/1069788177.db2.gz KDDZNUCQRXYKDY-FQEVSTJZSA-N 0 3 458.611 1.427 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001501906656 1069788486 /nfs/dbraw/zinc/78/84/86/1069788486.db2.gz KSFNSNDXUPWZJL-INIZCTEOSA-N 0 3 478.548 1.548 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001501906690 1069788678 /nfs/dbraw/zinc/78/86/78/1069788678.db2.gz LSDARDTVMPBLDT-FGZHOGPDSA-N 0 3 489.665 1.769 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCc2ccccn2)CC1 ZINC001501906728 1069789901 /nfs/dbraw/zinc/78/99/01/1069789901.db2.gz MZERHIAMSYBXCQ-UHFFFAOYSA-N 0 3 462.602 1.892 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001501907054 1069791067 /nfs/dbraw/zinc/79/10/67/1069791067.db2.gz QKLYTRFNRSFZBZ-NRFANRHFSA-N 0 3 499.635 1.913 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001501907401 1069792703 /nfs/dbraw/zinc/79/27/03/1069792703.db2.gz VXSOORKIISZASV-CYFREDJKSA-N 0 3 462.639 1.714 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)O)CC1 ZINC001501907397 1069792940 /nfs/dbraw/zinc/79/29/40/1069792940.db2.gz VTECKZDEYHGBNR-UHFFFAOYSA-N 0 3 458.607 1.639 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2nncn2CC)CC1 ZINC001501909463 1069799154 /nfs/dbraw/zinc/79/91/54/1069799154.db2.gz BCMAZLOVHMXIJY-UHFFFAOYSA-N 0 3 471.635 1.581 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)C(=O)NC)CC1 ZINC001501909893 1069799746 /nfs/dbraw/zinc/79/97/46/1069799746.db2.gz JGQKLZSCHWQLNF-UHFFFAOYSA-N 0 3 475.663 1.693 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCOC2)CC1 ZINC001501909443 1069797046 /nfs/dbraw/zinc/79/70/46/1069797046.db2.gz AJVRYAZKWCGHGS-RUZDIDTESA-N 0 3 470.618 1.205 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001501909450 1069797212 /nfs/dbraw/zinc/79/72/12/1069797212.db2.gz AQOAHKJCKFMGFV-NRFANRHFSA-N 0 3 475.682 1.722 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO2)CC1 ZINC001501909734 1069798360 /nfs/dbraw/zinc/79/83/60/1069798360.db2.gz GOVJCWITMDIVEB-GOSISDBHSA-N 0 3 489.646 1.439 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001501910319 1069800368 /nfs/dbraw/zinc/80/03/68/1069800368.db2.gz RUVKXYCEJAOCTM-RBUKOAKNSA-N 0 3 482.651 1.087 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCCCC2=O)CC1 ZINC001501910259 1069800423 /nfs/dbraw/zinc/80/04/23/1069800423.db2.gz PXEKFWTWKRUKGA-OAQYLSRUSA-N 0 3 489.665 1.913 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCOCC2)CC1 ZINC001501910276 1069800459 /nfs/dbraw/zinc/80/04/59/1069800459.db2.gz QJWVSIPNYVARGO-UNMCSNQZSA-N 0 3 478.638 1.419 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C)COC2)CC1 ZINC001501910730 1069800756 /nfs/dbraw/zinc/80/07/56/1069800756.db2.gz YRIXHDPFMGSTSQ-ICSRJNTNSA-N 0 3 464.611 1.029 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001501910600 1069800949 /nfs/dbraw/zinc/80/09/49/1069800949.db2.gz WDCRMHBKGQGSRZ-DEOSSOPVSA-N 0 3 462.639 1.807 20 0 JDADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCC[C@H](CS(=O)(=O)NC)C3)cc2)CC1 ZINC001477250495 1069807800 /nfs/dbraw/zinc/80/78/00/1069807800.db2.gz RPOHYFDAGAJRPM-NRFANRHFSA-N 0 3 451.637 1.295 20 0 JDADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)cc2)CC1 ZINC001477250798 1069807915 /nfs/dbraw/zinc/80/79/15/1069807915.db2.gz UUFKDHZIFCXTFN-OAQYLSRUSA-N 0 3 453.591 1.471 20 0 JDADHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)c1 ZINC001477275401 1069810449 /nfs/dbraw/zinc/81/04/49/1069810449.db2.gz SICNLWVJXVVDQO-HSZRJFAPSA-N 0 3 457.619 1.976 20 0 JDADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001501982939 1069812096 /nfs/dbraw/zinc/81/20/96/1069812096.db2.gz VBNOECZNAWBKBJ-IEBWSBKVSA-N 0 3 468.668 1.605 20 0 JDADHN C[C@H](O)CN1CCN(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001477317866 1069812175 /nfs/dbraw/zinc/81/21/75/1069812175.db2.gz ZKYKVQAXEGYNOT-SFHVURJKSA-N 0 3 457.541 1.926 20 0 JDADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001501983199 1069812502 /nfs/dbraw/zinc/81/25/02/1069812502.db2.gz YOKLUCLAGKCDEH-GUDVDZBRSA-N 0 3 462.620 1.963 20 0 JDADHN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(C2CCCCC2)CC1 ZINC001477336310 1069813237 /nfs/dbraw/zinc/81/32/37/1069813237.db2.gz KONIILVIAPRBQN-UHFFFAOYSA-N 0 3 450.605 1.867 20 0 JDADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NC[C@@H]3CCCCN3CCO)cc2)C1 ZINC001477531505 1069830727 /nfs/dbraw/zinc/83/07/27/1069830727.db2.gz MZGLSRDFQOZMID-QUCCMNQESA-N 0 3 452.621 1.753 20 0 JDADHN C[C@]1(C2CCN(C(=O)NCCCCN3CCN(c4ccccc4)CC3)CC2)NC(=O)NC1=O ZINC001477537861 1069830988 /nfs/dbraw/zinc/83/09/88/1069830988.db2.gz PLAZRYCDTAYRSI-XMMPIXPASA-N 0 3 456.591 1.609 20 0 JDADHN C[C@@H]1CCC[C@](CNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)(N(C)C)C1 ZINC001477561768 1069833139 /nfs/dbraw/zinc/83/31/39/1069833139.db2.gz WFOLPSRUYNCNOD-QLDGJZPUSA-N 0 3 472.652 1.925 20 0 JDADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC001477564463 1069833938 /nfs/dbraw/zinc/83/39/38/1069833938.db2.gz QLAKGVJPZSFFCK-INIZCTEOSA-N 0 3 451.593 1.171 20 0 JDADHN CCN1CCN(C[C@H](C)CNC(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 ZINC001477578407 1069834907 /nfs/dbraw/zinc/83/49/07/1069834907.db2.gz ZMTFBMUAYKUZKI-LJQANCHMSA-N 0 3 453.653 1.788 20 0 JDADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001477613904 1069836989 /nfs/dbraw/zinc/83/69/89/1069836989.db2.gz HTKYZUKCJGUMMY-UHFFFAOYSA-N 0 3 453.609 1.023 20 0 JDADHN COCCN1CCC(NC(=O)N2CCN([C@H](C(=O)OC)c3cccc(Cl)c3)CC2)CC1 ZINC001477616367 1069837359 /nfs/dbraw/zinc/83/73/59/1069837359.db2.gz CSEJZRMRAGAIOM-FQEVSTJZSA-N 0 3 452.983 1.992 20 0 JDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC001477628262 1069839110 /nfs/dbraw/zinc/83/91/10/1069839110.db2.gz BMVVDYMENCCVIK-LEWJYISDSA-N 0 3 457.575 1.043 20 0 JDADHN O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001477705574 1069845955 /nfs/dbraw/zinc/84/59/55/1069845955.db2.gz QLCXBCJHQUFVOR-LEWJYISDSA-N 0 3 450.605 1.602 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCn2c(Cc3ccccc3F)nnc2C1 ZINC001477710808 1069846567 /nfs/dbraw/zinc/84/65/67/1069846567.db2.gz NZXQQKHRVCSVAQ-IBGZPJMESA-N 0 3 457.554 1.476 20 0 JDADHN CCN(CCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1)CCC(F)(F)F ZINC001502186575 1069848425 /nfs/dbraw/zinc/84/84/25/1069848425.db2.gz MPPDSQUZTGNZDW-UHFFFAOYSA-N 0 3 497.570 1.814 20 0 JDADHN CCN(CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1)CCC(F)(F)F ZINC001502191929 1069849766 /nfs/dbraw/zinc/84/97/66/1069849766.db2.gz JHEOSCKKIWXNBQ-MRXNPFEDSA-N 0 3 455.485 1.566 20 0 JDADHN CCN(CCn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1)CCC(F)(F)F ZINC001502194595 1069850242 /nfs/dbraw/zinc/85/02/42/1069850242.db2.gz LMYKBYQNUKPGGN-UHFFFAOYSA-N 0 3 490.556 1.527 20 0 JDADHN CCN(CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1)CCC(F)(F)F ZINC001502194997 1069850535 /nfs/dbraw/zinc/85/05/35/1069850535.db2.gz AFFUSSPZXLEGTC-KRWDZBQOSA-N 0 3 469.512 1.874 20 0 JDADHN CCN(CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)CCC(F)(F)F ZINC001502194673 1069850564 /nfs/dbraw/zinc/85/05/64/1069850564.db2.gz OCNFKPUYGZPPJB-SFHVURJKSA-N 0 3 496.538 1.837 20 0 JDADHN C[C@]1(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCN(Cc2ccccc2)C1 ZINC001477752870 1069852701 /nfs/dbraw/zinc/85/27/01/1069852701.db2.gz CKQYKQXUJMHEGM-DEOSSOPVSA-N 0 3 451.575 1.479 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)C(C)C ZINC001502199056 1069853692 /nfs/dbraw/zinc/85/36/92/1069853692.db2.gz CPQNMVCXWVQOBR-GOSISDBHSA-N 0 3 497.735 1.914 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1)C(C)C ZINC001502199123 1069853910 /nfs/dbraw/zinc/85/39/10/1069853910.db2.gz FCVXIJVZAOLVAZ-GOSISDBHSA-N 0 3 479.626 1.771 20 0 JDADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1)C(C)C ZINC001502199424 1069854596 /nfs/dbraw/zinc/85/45/96/1069854596.db2.gz KTKPTNPVZGKHFO-SFHVURJKSA-N 0 3 454.641 1.392 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1)C(C)C ZINC001502199423 1069854639 /nfs/dbraw/zinc/85/46/39/1069854639.db2.gz KTKPTNPVZGKHFO-GOSISDBHSA-N 0 3 454.641 1.392 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)C(C)C ZINC001502199597 1069854995 /nfs/dbraw/zinc/85/49/95/1069854995.db2.gz OTNJLXLNRAHOIK-RBUKOAKNSA-N 0 3 468.668 1.604 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)C(C)C ZINC001502199800 1069855439 /nfs/dbraw/zinc/85/54/39/1069855439.db2.gz SWDQKDJNQUMSDY-DENIHFKCSA-N 0 3 468.668 1.212 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1)C(C)C ZINC001502199801 1069855649 /nfs/dbraw/zinc/85/56/49/1069855649.db2.gz SWDQKDJNQUMSDY-KNQAVFIVSA-N 0 3 468.668 1.212 20 0 JDADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001502199897 1069856215 /nfs/dbraw/zinc/85/62/15/1069856215.db2.gz VLDJHZTXFHGLDB-GOSISDBHSA-N 0 3 484.667 1.968 20 0 JDADHN CN(C(=O)NC1CCN(CCS(C)(=O)=O)CC1)C1CCN(CCc2ccccn2)CC1 ZINC001477800255 1069859489 /nfs/dbraw/zinc/85/94/89/1069859489.db2.gz VPXJYVSFTRLGMA-UHFFFAOYSA-N 0 3 451.637 1.239 20 0 JDADHN CCc1ccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001546218037 1069860184 /nfs/dbraw/zinc/86/01/84/1069860184.db2.gz QHXXIQRZTICNTB-FQEVSTJZSA-N 0 3 476.647 1.557 20 0 JDADHN CN1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)C[C@@H]1Cc1ccccc1 ZINC001477812139 1069862471 /nfs/dbraw/zinc/86/24/71/1069862471.db2.gz IMNZNNRYYTVMEH-QHCPKHFHSA-N 0 3 451.619 1.947 20 0 JDADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC001477841199 1069866621 /nfs/dbraw/zinc/86/66/21/1069866621.db2.gz VFNDQTQQMDQHBR-RZUBCFFCSA-N 0 3 451.571 1.546 20 0 JDADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC001477888451 1069872271 /nfs/dbraw/zinc/87/22/71/1069872271.db2.gz ZPMDGPHQPCBNIW-RBUKOAKNSA-N 0 3 453.628 1.282 20 0 JDADHN C[C@@H](CNC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)CN1CCN(C)CC1 ZINC001477885274 1069871750 /nfs/dbraw/zinc/87/17/50/1069871750.db2.gz GDXGEITUVXMIHZ-SFHVURJKSA-N 0 3 451.015 1.489 20 0 JDADHN C[C@H](CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)N(C)Cc1ccccc1 ZINC001477900122 1069873772 /nfs/dbraw/zinc/87/37/72/1069873772.db2.gz XRMSSATULYRYTN-HXUWFJFHSA-N 0 3 459.616 1.869 20 0 JDADHN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)c1=O ZINC001502233501 1069893261 /nfs/dbraw/zinc/89/32/61/1069893261.db2.gz ZZFKUEUBXTZJNM-GOSISDBHSA-N 0 3 491.662 1.573 20 0 JDADHN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)c1=O ZINC001502233502 1069893303 /nfs/dbraw/zinc/89/33/03/1069893303.db2.gz ZZFKUEUBXTZJNM-SFHVURJKSA-N 0 3 491.662 1.573 20 0 JDADHN CN1CC[C@@](O)(CNC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)C1 ZINC001478063263 1069894191 /nfs/dbraw/zinc/89/41/91/1069894191.db2.gz ZMUJVJGOWMKACJ-TZIWHRDSSA-N 0 3 453.511 1.824 20 0 JDADHN CCn1cnnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001502237558 1069898051 /nfs/dbraw/zinc/89/80/51/1069898051.db2.gz AQMMNGVXXJJJEY-MRXNPFEDSA-N 0 3 467.644 1.106 20 0 JDADHN CCn1cnnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001502237557 1069898104 /nfs/dbraw/zinc/89/81/04/1069898104.db2.gz AQMMNGVXXJJJEY-INIZCTEOSA-N 0 3 467.644 1.106 20 0 JDADHN COc1ccc(-n2cc(CNC(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@H]3CO)nn2)cc1 ZINC001478145144 1069903658 /nfs/dbraw/zinc/90/36/58/1069903658.db2.gz DHVHOGPPDWZUQI-WMZHIEFXSA-N 0 3 450.543 1.958 20 0 JDADHN COc1ccc(-n2cc(CNC(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)nn2)cc1 ZINC001478145141 1069904588 /nfs/dbraw/zinc/90/45/88/1069904588.db2.gz DHVHOGPPDWZUQI-AUSIDOKSSA-N 0 3 450.543 1.958 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)C[C@H]1C ZINC001502242625 1069908521 /nfs/dbraw/zinc/90/85/21/1069908521.db2.gz DARPHAPGIOOLOM-SJORKVTESA-N 0 3 453.591 1.669 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCCN(C)S(=O)(=O)CC)C[C@@H]1C ZINC001502242791 1069910481 /nfs/dbraw/zinc/91/04/81/1069910481.db2.gz HROONYIMEMKDBI-IRXDYDNUSA-N 0 3 457.645 1.007 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(OC)c2)C[C@H]1C ZINC001502243591 1069913051 /nfs/dbraw/zinc/91/30/51/1069913051.db2.gz YECBQUYLEFNFSX-MOPGFXCFSA-N 0 3 483.617 1.872 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001502243592 1069913759 /nfs/dbraw/zinc/91/37/59/1069913759.db2.gz YECBQUYLEFNFSX-OALUTQOASA-N 0 3 483.617 1.872 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001502243969 1069913844 /nfs/dbraw/zinc/91/38/44/1069913844.db2.gz ADSFVSYVZPCCFA-TXXWUTRGSA-N 0 3 482.626 1.854 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001502244369 1069915201 /nfs/dbraw/zinc/91/52/01/1069915201.db2.gz FXAJWQVVLCNEJK-LSTDLKDCSA-N 0 3 469.656 1.066 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001502244366 1069916028 /nfs/dbraw/zinc/91/60/28/1069916028.db2.gz FVDVSHFKQPAJDT-QYZOEREBSA-N 0 3 484.605 1.339 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001502244853 1069918021 /nfs/dbraw/zinc/91/80/21/1069918021.db2.gz LXZRSHAKRJPHAQ-IKGGRYGDSA-N 0 3 464.640 1.317 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3nsnc3c2)C[C@@H]1C ZINC001502245090 1069920926 /nfs/dbraw/zinc/92/09/26/1069920926.db2.gz PDVLGFPAYUVHKW-KKUMJFAQSA-N 0 3 478.648 1.860 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001502247340 1069925040 /nfs/dbraw/zinc/92/50/40/1069925040.db2.gz JWUPLBBTPPSKDB-QYWGDWMGSA-N 0 3 458.554 1.619 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC001502246148 1069921911 /nfs/dbraw/zinc/92/19/11/1069921911.db2.gz XNRLXYKQGFYVCU-JYJNAYRXSA-N 0 3 467.644 1.202 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn3ccccc23)C[C@H]1C ZINC001502246336 1069922273 /nfs/dbraw/zinc/92/22/73/1069922273.db2.gz YSAAYLPIYANJQA-IXDOHACOSA-N 0 3 460.608 1.503 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001502247001 1069924649 /nfs/dbraw/zinc/92/46/49/1069924649.db2.gz FMPHOGWUZRBODZ-ROUUACIJSA-N 0 3 486.646 1.896 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCNC(C)=O)C[C@H]1C ZINC001502247316 1069924898 /nfs/dbraw/zinc/92/48/98/1069924898.db2.gz JOMZVJDDCJDBFK-IAGOWNOFSA-N 0 3 490.678 1.992 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001502246725 1069925875 /nfs/dbraw/zinc/92/58/75/1069925875.db2.gz AUOMKXXBLHIQKZ-ROUUACIJSA-N 0 3 477.631 1.809 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001502247424 1069927245 /nfs/dbraw/zinc/92/72/45/1069927245.db2.gz LEYBPVVYYAPOOC-GJZGRUSLSA-N 0 3 484.573 1.649 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001502247418 1069927692 /nfs/dbraw/zinc/92/76/92/1069927692.db2.gz LBUIWXZGBNDEEM-ZWKOTPCHSA-N 0 3 491.662 1.639 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001502247425 1069928091 /nfs/dbraw/zinc/92/80/91/1069928091.db2.gz LEYBPVVYYAPOOC-HUUCEWRRSA-N 0 3 484.573 1.649 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001502247528 1069928175 /nfs/dbraw/zinc/92/81/75/1069928175.db2.gz MKHLLUCOEMHSKQ-DXIQSLLYSA-N 0 3 486.683 1.565 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001502247927 1069928310 /nfs/dbraw/zinc/92/83/10/1069928310.db2.gz QSQJRZMVVBHYAM-CMKODMSKSA-N 0 3 492.646 1.530 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001502250689 1069933258 /nfs/dbraw/zinc/93/32/58/1069933258.db2.gz APJRAVYPETUAIN-DLBZAZTESA-N 0 3 480.635 1.821 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001502250521 1069933329 /nfs/dbraw/zinc/93/33/29/1069933329.db2.gz YPIXDZAOJJNLPH-MSOLQXFVSA-N 0 3 466.594 1.754 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001502251066 1069934865 /nfs/dbraw/zinc/93/48/65/1069934865.db2.gz FSHSDWXZPRTACX-SJORKVTESA-N 0 3 450.609 1.812 20 0 JDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC001478239012 1069937343 /nfs/dbraw/zinc/93/73/43/1069937343.db2.gz SRBPBMSOHYKXBR-HNNXBMFYSA-N 0 3 453.946 1.780 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001502252599 1069937501 /nfs/dbraw/zinc/93/75/01/1069937501.db2.gz ZWJIPMBDOBLUFV-MSOLQXFVSA-N 0 3 477.631 1.812 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502252780 1069938099 /nfs/dbraw/zinc/93/80/99/1069938099.db2.gz BNJBJUMAMKABBM-IAGOWNOFSA-N 0 3 459.620 1.905 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001502253721 1069940360 /nfs/dbraw/zinc/94/03/60/1069940360.db2.gz OSUQSRGCIHCRIW-QWHCGFSZSA-N 0 3 453.494 1.306 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001502254243 1069940984 /nfs/dbraw/zinc/94/09/84/1069940984.db2.gz VXELJQMOFOETAH-CABCVRRESA-N 0 3 488.543 1.492 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C[C@H]1C ZINC001502255338 1069942127 /nfs/dbraw/zinc/94/21/27/1069942127.db2.gz JQLLNVLQZYZWSZ-SQNIBIBYSA-N 0 3 464.611 1.995 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001502255209 1069942690 /nfs/dbraw/zinc/94/26/90/1069942690.db2.gz ICYSRUJVCBUIOL-INDMIFKZSA-N 0 3 454.641 1.373 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)Cc2ccccc2)C[C@@H]1C ZINC001502255451 1069944579 /nfs/dbraw/zinc/94/45/79/1069944579.db2.gz LOUNEUIIYHSRJK-BJLQDIEVSA-N 0 3 453.591 1.807 20 0 JDADHN 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CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502311126 1070078815 /nfs/dbraw/zinc/07/88/15/1070078815.db2.gz NATUATDYQQMJGS-HOTGVXAUSA-N 0 3 495.470 1.772 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502310884 1070076306 /nfs/dbraw/zinc/07/63/06/1070076306.db2.gz IRXQIRATZPBTCB-IAGOWNOFSA-N 0 3 463.030 1.838 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502311076 1070076788 /nfs/dbraw/zinc/07/67/88/1070076788.db2.gz MFJXWXZNQQSJSB-SYYKKAFVSA-N 0 3 486.617 1.340 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001502311007 1070077404 /nfs/dbraw/zinc/07/74/04/1070077404.db2.gz KQMXFXJDCPXERH-GOSISDBHSA-N 0 3 479.651 1.344 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502311292 1070078110 /nfs/dbraw/zinc/07/81/10/1070078110.db2.gz PVACOLYPOOOVQN-HXUWFJFHSA-N 0 3 489.690 1.831 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC001502311705 1070080495 /nfs/dbraw/zinc/08/04/95/1070080495.db2.gz XWWDJILUQDEOSW-BDTNDASRSA-N 0 3 474.698 1.239 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC001502311707 1070081243 /nfs/dbraw/zinc/08/12/43/1070081243.db2.gz XWWDJILUQDEOSW-FDFHNCONSA-N 0 3 474.698 1.239 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502312235 1070081680 /nfs/dbraw/zinc/08/16/80/1070081680.db2.gz IUVAXTDYGQMVIN-GOSISDBHSA-N 0 3 478.667 1.207 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502312078 1070082338 /nfs/dbraw/zinc/08/23/38/1070082338.db2.gz FPAFBFGBZLUBHG-HXUWFJFHSA-N 0 3 454.623 1.671 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001502312556 1070084586 /nfs/dbraw/zinc/08/45/86/1070084586.db2.gz OIIQOZVWENIUGJ-SJORKVTESA-N 0 3 495.554 1.266 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502312382 1070083545 /nfs/dbraw/zinc/08/35/45/1070083545.db2.gz LAPMFVPVAAPLEC-LJQANCHMSA-N 0 3 470.622 1.098 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC001502313065 1070085913 /nfs/dbraw/zinc/08/59/13/1070085913.db2.gz XLZGLUJMDXZCHV-BDTNDASRSA-N 0 3 498.676 1.734 20 0 JDADHN CNS(=O)(=O)CCCNC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001479091954 1070086392 /nfs/dbraw/zinc/08/63/92/1070086392.db2.gz JBPAPISBOMYAPZ-UHFFFAOYSA-N 0 3 458.028 1.575 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001502313435 1070087809 /nfs/dbraw/zinc/08/78/09/1070087809.db2.gz DQVSRETUXRWMQW-MSOLQXFVSA-N 0 3 453.657 1.042 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001502313718 1070089848 /nfs/dbraw/zinc/08/98/48/1070089848.db2.gz JNSZDMYRJDIZNF-SFTDATJTSA-N 0 3 475.682 1.720 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502313746 1070090355 /nfs/dbraw/zinc/09/03/55/1070090355.db2.gz KARBJXMPXQAMJY-NZQKXSOJSA-N 0 3 499.660 1.245 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001502314191 1070091921 /nfs/dbraw/zinc/09/19/21/1070091921.db2.gz QWVVMMKNDTVVKQ-AKFKNWHVSA-N 0 3 488.725 1.491 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502314279 1070092522 /nfs/dbraw/zinc/09/25/22/1070092522.db2.gz SEJDHHNHGPSEPB-LEWJYISDSA-N 0 3 453.635 1.870 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001502314225 1070092609 /nfs/dbraw/zinc/09/26/09/1070092609.db2.gz RMBMGLAUCBTBPB-HKBOAZHASA-N 0 3 497.710 1.262 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502314374 1070093148 /nfs/dbraw/zinc/09/31/48/1070093148.db2.gz ULUXECCQBPBPKG-OAQYLSRUSA-N 0 3 462.687 1.149 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502314428 1070093712 /nfs/dbraw/zinc/09/37/12/1070093712.db2.gz VIBCLALQYSDFPS-UXHICEINSA-N 0 3 497.710 1.106 20 0 JDADHN CCOC(=O)c1cc(CNC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)on1 ZINC001479147688 1070094293 /nfs/dbraw/zinc/09/42/93/1070094293.db2.gz RYLVBXJWUNRYIJ-GOSISDBHSA-N 0 3 456.547 1.990 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502314645 1070094301 /nfs/dbraw/zinc/09/43/01/1070094301.db2.gz YJSKFOSXVQWEHB-IBGZPJMESA-N 0 3 469.700 1.411 20 0 JDADHN CCOC(=O)c1cc(CNC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)on1 ZINC001479147690 1070094513 /nfs/dbraw/zinc/09/45/13/1070094513.db2.gz RYLVBXJWUNRYIJ-SFHVURJKSA-N 0 3 456.547 1.990 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001502314647 1070094579 /nfs/dbraw/zinc/09/45/79/1070094579.db2.gz YLZOQHLBEDREKK-HSALFYBXSA-N 0 3 477.654 1.911 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001502314650 1070094796 /nfs/dbraw/zinc/09/47/96/1070094796.db2.gz YLZOQHLBEDREKK-XUVXKRRUSA-N 0 3 477.654 1.911 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001502314649 1070094846 /nfs/dbraw/zinc/09/48/46/1070094846.db2.gz YLZOQHLBEDREKK-VAMGGRTRSA-N 0 3 477.654 1.911 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502314894 1070096624 /nfs/dbraw/zinc/09/66/24/1070096624.db2.gz CSPZTENDYXKNPS-OAQYLSRUSA-N 0 3 469.634 1.826 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001502315059 1070097374 /nfs/dbraw/zinc/09/73/74/1070097374.db2.gz GNUMKNHDKPSECL-BHIFYINESA-N 0 3 474.654 1.406 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001502315128 1070097677 /nfs/dbraw/zinc/09/76/77/1070097677.db2.gz HVGZEJSUDKNJSA-HXUWFJFHSA-N 0 3 495.738 1.802 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502315163 1070098128 /nfs/dbraw/zinc/09/81/28/1070098128.db2.gz IESVGLQZDHTBJN-KBMIEXCESA-N 0 3 487.624 1.985 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001502315127 1070098511 /nfs/dbraw/zinc/09/85/11/1070098511.db2.gz HVGZEJSUDKNJSA-FQEVSTJZSA-N 0 3 495.738 1.802 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502315269 1070099424 /nfs/dbraw/zinc/09/94/24/1070099424.db2.gz KHQPEKTYWQUTJL-FQEVSTJZSA-N 0 3 475.682 1.768 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315266 1070099508 /nfs/dbraw/zinc/09/95/08/1070099508.db2.gz KHIXFZYDRMQPCV-IRLDBZIGSA-N 0 3 483.661 1.800 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502315227 1070099583 /nfs/dbraw/zinc/09/95/83/1070099583.db2.gz JJZWODYGKFLADE-FQEVSTJZSA-N 0 3 483.661 1.800 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001502315292 1070099651 /nfs/dbraw/zinc/09/96/51/1070099651.db2.gz KRDCMZVGTCWVCG-LJQANCHMSA-N 0 3 454.623 1.252 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502315352 1070100703 /nfs/dbraw/zinc/10/07/03/1070100703.db2.gz MBNAEUSJVJIJQP-UYAOXDASSA-N 0 3 467.684 1.022 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502315368 1070100790 /nfs/dbraw/zinc/10/07/90/1070100790.db2.gz MMSVAMSSXUKREI-NHCUHLMSSA-N 0 3 469.634 1.893 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC001502315396 1070101118 /nfs/dbraw/zinc/10/11/18/1070101118.db2.gz NEKGVYAECMIWSO-UNMCSNQZSA-N 0 3 468.650 1.642 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502315513 1070102932 /nfs/dbraw/zinc/10/29/32/1070102932.db2.gz PHTGLOYQFDCZDJ-GMAHTHKFSA-N 0 3 499.660 1.451 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001502315618 1070104346 /nfs/dbraw/zinc/10/43/46/1070104346.db2.gz RJPAVOFVFJMENQ-LJQANCHMSA-N 0 3 455.607 1.679 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502315627 1070104542 /nfs/dbraw/zinc/10/45/42/1070104542.db2.gz RMIPDEAWRVCPJV-PMACEKPBSA-N 0 3 455.607 1.237 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001502315780 1070105692 /nfs/dbraw/zinc/10/56/92/1070105692.db2.gz UVPDQYJWOWOIKS-OAQYLSRUSA-N 0 3 493.660 1.901 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502315878 1070105883 /nfs/dbraw/zinc/10/58/83/1070105883.db2.gz WASUOPAZUSELQN-OAQYLSRUSA-N 0 3 469.634 1.594 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502315924 1070108341 /nfs/dbraw/zinc/10/83/41/1070108341.db2.gz WSUZAJNZBCNHRL-SJORKVTESA-N 0 3 460.652 1.327 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502315923 1070108607 /nfs/dbraw/zinc/10/86/07/1070108607.db2.gz WSUZAJNZBCNHRL-IRXDYDNUSA-N 0 3 460.652 1.327 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502316039 1070109935 /nfs/dbraw/zinc/10/99/35/1070109935.db2.gz YMBWYHXKYOSZQB-GOSISDBHSA-N 0 3 461.636 1.845 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502316056 1070110542 /nfs/dbraw/zinc/11/05/42/1070110542.db2.gz YSFWBTYYKQOKTK-OAQYLSRUSA-N 0 3 497.692 1.920 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502316115 1070111522 /nfs/dbraw/zinc/11/15/22/1070111522.db2.gz ZNCXTEWTHNPWGP-PZJWPPBQSA-N 0 3 454.623 1.252 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502316114 1070111676 /nfs/dbraw/zinc/11/16/76/1070111676.db2.gz ZNCXTEWTHNPWGP-FPOVZHCZSA-N 0 3 454.623 1.252 20 0 JDADHN C[C@H](O)CN1CCN(C(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001479248390 1070111738 /nfs/dbraw/zinc/11/17/38/1070111738.db2.gz WQHHGEBSBCIKGT-UXHICEINSA-N 0 3 455.644 1.806 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@H](COC)C2)CC1 ZINC001502316541 1070114948 /nfs/dbraw/zinc/11/49/48/1070114948.db2.gz LOOWUWIGNWUHEJ-WOZUAGRISA-N 0 3 450.628 1.501 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@H](COC)C2)CC1 ZINC001502316538 1070115113 /nfs/dbraw/zinc/11/51/13/1070115113.db2.gz LOOWUWIGNWUHEJ-ANULTFPQSA-N 0 3 450.628 1.501 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(N3CCC[C@@H](CNS(C)(=O)=O)C3)nnc2C(C)(C)C)CC1 ZINC001502317102 1070119511 /nfs/dbraw/zinc/11/95/11/1070119511.db2.gz ZNVJNYRMACDTRT-MOPGFXCFSA-N 0 3 469.700 1.367 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001502316682 1070116721 /nfs/dbraw/zinc/11/67/21/1070116721.db2.gz OYLVQRGMGSXPBI-JBACZVJFSA-N 0 3 460.627 1.398 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001502317019 1070117860 /nfs/dbraw/zinc/11/78/60/1070117860.db2.gz XKEXYDRCNVTULC-MBDNFAEBSA-N 0 3 464.655 1.889 20 0 JDADHN CC(C)(C)OC(=O)N1C[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)CC2(CCOCC2)C1 ZINC001479298668 1070124979 /nfs/dbraw/zinc/12/49/79/1070124979.db2.gz LJHGYSABRAQHFU-RBUKOAKNSA-N 0 3 454.612 1.939 20 0 JDADHN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)CC2(CCOCC2)C1 ZINC001479298664 1070125145 /nfs/dbraw/zinc/12/51/45/1070125145.db2.gz LJHGYSABRAQHFU-MOPGFXCFSA-N 0 3 454.612 1.939 20 0 JDADHN CCCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1 ZINC001479387115 1070141718 /nfs/dbraw/zinc/14/17/18/1070141718.db2.gz JAZJSZGHOGJVII-CTNGQTDRSA-N 0 3 452.621 1.373 20 0 JDADHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001479430668 1070146129 /nfs/dbraw/zinc/14/61/29/1070146129.db2.gz XZQMTHCYCZNXPW-UWHLTILDSA-N 0 3 462.591 1.803 20 0 JDADHN CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCOCC2)C[C@H]1C ZINC001502332087 1070169475 /nfs/dbraw/zinc/16/94/75/1070169475.db2.gz CUCYFWNRERHDKY-HKBOAZHASA-N 0 3 450.628 1.645 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc([C@H](C)OCCOC)n3Cc3ccc(C)nc3)C2)CC1 ZINC001502333283 1070176243 /nfs/dbraw/zinc/17/62/43/1070176243.db2.gz FNZBXMYEGYPWDT-UNMCSNQZSA-N 0 3 457.623 1.970 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCOC)C2)CC1 ZINC001502333525 1070178040 /nfs/dbraw/zinc/17/80/40/1070178040.db2.gz KTNANIHVAWKSBX-MRXNPFEDSA-N 0 3 452.401 1.898 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)C)n3CCCN(C)S(=O)(=O)CC)C2)CC1 ZINC001502334109 1070183607 /nfs/dbraw/zinc/18/36/07/1070183607.db2.gz ZXNLFYRPTZAUST-LJQANCHMSA-N 0 3 455.673 1.289 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CC(C)(C)OC)C2)CC1 ZINC001502334702 1070188903 /nfs/dbraw/zinc/18/89/03/1070188903.db2.gz OORQQEJMFCAHBC-HXUWFJFHSA-N 0 3 490.674 1.990 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccn4)n3CCCCCS(C)(=O)=O)C2)CC1 ZINC001502334766 1070189958 /nfs/dbraw/zinc/18/99/58/1070189958.db2.gz QDNDQJIAUHKBDM-HXUWFJFHSA-N 0 3 475.663 1.771 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](COC)OC)C2)CC1 ZINC001502334764 1070190839 /nfs/dbraw/zinc/19/08/39/1070190839.db2.gz QCIJLHDHACIFMG-RTBURBONSA-N 0 3 464.014 1.871 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CC3(O)CCS(=O)(=O)CC3)C2)CC1 ZINC001502335387 1070194433 /nfs/dbraw/zinc/19/44/33/1070194433.db2.gz HRDJPRDXVRLWMW-IBGZPJMESA-N 0 3 482.695 1.023 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001502335499 1070195761 /nfs/dbraw/zinc/19/57/61/1070195761.db2.gz KLIZTSZPVIPCQI-URXFXBBRSA-N 0 3 458.655 1.763 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@H](COC)OC)C2)CC1 ZINC001502335726 1070197556 /nfs/dbraw/zinc/19/75/56/1070197556.db2.gz OZIVLWOJJQXZEA-NHCUHLMSSA-N 0 3 460.598 1.886 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001502335899 1070198957 /nfs/dbraw/zinc/19/89/57/1070198957.db2.gz RWELTCXNJOENGY-NRFANRHFSA-N 0 3 493.653 1.116 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001502335902 1070199911 /nfs/dbraw/zinc/19/99/11/1070199911.db2.gz RWELTCXNJOENGY-OAQYLSRUSA-N 0 3 493.653 1.116 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4C)n3CCC(=O)N(C)C)C2)CC1 ZINC001502336378 1070200388 /nfs/dbraw/zinc/20/03/88/1070200388.db2.gz ZMDXXHRMDAJEDH-QFIPXVFZSA-N 0 3 453.635 1.872 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CC3(C(N)=O)CCOCC3)C2)CC1 ZINC001502336299 1070201227 /nfs/dbraw/zinc/20/12/27/1070201227.db2.gz XQFYAAUWSKVLIN-IBGZPJMESA-N 0 3 461.655 1.365 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC2CCOCC2)CC1 ZINC001502337162 1070202544 /nfs/dbraw/zinc/20/25/44/1070202544.db2.gz BVTCPDZIQDRFMT-FQEVSTJZSA-N 0 3 461.655 1.651 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3CCNC(=O)C(C)C)C2)CC1 ZINC001502337164 1070203104 /nfs/dbraw/zinc/20/31/04/1070203104.db2.gz BXMWJCJIJFEPMW-NRFANRHFSA-N 0 3 471.654 1.128 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502337442 1070206475 /nfs/dbraw/zinc/20/64/75/1070206475.db2.gz IAGXNHFEZYOEOV-LJQANCHMSA-N 0 3 457.627 1.262 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C)C2)CC1 ZINC001502337633 1070207712 /nfs/dbraw/zinc/20/77/12/1070207712.db2.gz LNMJZJLYYQASJR-RCCFBDPRSA-N 0 3 473.713 1.104 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3CCC[C@@H]32)CC1 ZINC001502337660 1070208206 /nfs/dbraw/zinc/20/82/06/1070208206.db2.gz MBOOAZOHZZSUDW-MUGJNUQGSA-N 0 3 467.684 1.541 20 0 JDADHN Cc1noc(CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC001493117247 1070210311 /nfs/dbraw/zinc/21/03/11/1070210311.db2.gz AMMAOQKSYNBSQT-SFHVURJKSA-N 0 3 458.611 1.934 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC001502337726 1070210167 /nfs/dbraw/zinc/21/01/67/1070210167.db2.gz MWBRPPLMOWPYQJ-LEWJYISDSA-N 0 3 488.681 1.281 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001502338103 1070210800 /nfs/dbraw/zinc/21/08/00/1070210800.db2.gz RIYPRCXOUJZROQ-SFTDATJTSA-N 0 3 481.711 1.679 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001502338138 1070211362 /nfs/dbraw/zinc/21/13/62/1070211362.db2.gz RTJDCQNONNFJII-PMACEKPBSA-N 0 3 461.655 1.791 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001502338064 1070211570 /nfs/dbraw/zinc/21/15/70/1070211570.db2.gz RIYPRCXOUJZROQ-LEWJYISDSA-N 0 3 481.711 1.679 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC001502338360 1070213527 /nfs/dbraw/zinc/21/35/27/1070213527.db2.gz VNMAFIFIPNSCMY-WPFOTENUSA-N 0 3 488.725 1.677 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001502338602 1070215466 /nfs/dbraw/zinc/21/54/66/1070215466.db2.gz XSRIDZIHOLDLNT-MANSERQUSA-N 0 3 487.740 1.492 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(Nc3cccnn3)CC2)CC1 ZINC001502338622 1070216203 /nfs/dbraw/zinc/21/62/03/1070216203.db2.gz XUBPWMYZUQKOBZ-HXUWFJFHSA-N 0 3 498.680 1.561 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001502342658 1070229956 /nfs/dbraw/zinc/22/99/56/1070229956.db2.gz BOKOEALUHWBTMM-FGZHOGPDSA-N 0 3 475.682 1.750 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)OC)CC1 ZINC001502342580 1070230031 /nfs/dbraw/zinc/23/00/31/1070230031.db2.gz ABFZRGJXYRTBQK-QGZVFWFLSA-N 0 3 454.579 1.463 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCOC)CC1 ZINC001502342589 1070230612 /nfs/dbraw/zinc/23/06/12/1070230612.db2.gz AFGXSUCHCFGWMC-GOSISDBHSA-N 0 3 468.606 1.950 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001502342946 1070231332 /nfs/dbraw/zinc/23/13/32/1070231332.db2.gz HCCJDLPPGRNVDZ-SFTDATJTSA-N 0 3 495.738 1.374 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001502343105 1070233996 /nfs/dbraw/zinc/23/39/96/1070233996.db2.gz JRQIAJOIBWLJAO-RTWAWAEBSA-N 0 3 488.681 1.198 20 0 JDADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN(C)C ZINC001493170486 1070233782 /nfs/dbraw/zinc/23/37/82/1070233782.db2.gz SJVUXAJMKSNGML-MRXNPFEDSA-N 0 3 462.620 1.603 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502343060 1070235226 /nfs/dbraw/zinc/23/52/26/1070235226.db2.gz JCBAAHCMZIKRGG-LJQANCHMSA-N 0 3 462.639 1.850 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502343422 1070238094 /nfs/dbraw/zinc/23/80/94/1070238094.db2.gz OQXCWQIKRMYOGL-IRLDBZIGSA-N 0 3 461.655 1.852 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502343427 1070239601 /nfs/dbraw/zinc/23/96/01/1070239601.db2.gz OSTYJJSFMYJYQJ-DENIHFKCSA-N 0 3 453.635 1.763 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502343879 1070247409 /nfs/dbraw/zinc/24/74/09/1070247409.db2.gz WBYJVDOQZZBPRQ-VXKWHMMOSA-N 0 3 475.682 1.750 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502345444 1070250437 /nfs/dbraw/zinc/25/04/37/1070250437.db2.gz BSEQJGCZJXXEJD-CZSZKKDXSA-N 0 3 491.681 1.294 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502345449 1070250524 /nfs/dbraw/zinc/25/05/24/1070250524.db2.gz BSEQJGCZJXXEJD-WATLYSKOSA-N 0 3 491.681 1.294 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001502345570 1070251212 /nfs/dbraw/zinc/25/12/12/1070251212.db2.gz CLBKNDOHTIOPOD-GHTZIAJQSA-N 0 3 472.638 1.413 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502346005 1070254054 /nfs/dbraw/zinc/25/40/54/1070254054.db2.gz IEKWLSHHDKIWGH-OALUTQOASA-N 0 3 459.664 1.871 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502346062 1070254514 /nfs/dbraw/zinc/25/45/14/1070254514.db2.gz IOVQXSUUPRBCDB-ZJSXRUAMSA-N 0 3 482.677 1.842 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502346273 1070257407 /nfs/dbraw/zinc/25/74/07/1070257407.db2.gz KFCMRUQYWSDBKF-TZIWHRDSSA-N 0 3 461.655 1.236 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCS(=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502346835 1070259191 /nfs/dbraw/zinc/25/91/91/1070259191.db2.gz PCDUXRDNEAABKS-NFBKMPQASA-N 0 3 482.695 1.161 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001502347003 1070259716 /nfs/dbraw/zinc/25/97/16/1070259716.db2.gz RNTRGIFSQVWLNO-WOJBJXKFSA-N 0 3 461.655 1.535 20 0 JDADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC001493211145 1070259959 /nfs/dbraw/zinc/25/99/59/1070259959.db2.gz BEIXVCFDGMWONQ-XDNAFOTISA-N 0 3 468.668 1.855 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCNC(=O)CC2)CC1 ZINC001502346958 1070260381 /nfs/dbraw/zinc/26/03/81/1070260381.db2.gz QWBJCPAXBPYWIV-FQEVSTJZSA-N 0 3 485.633 1.466 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2c(C)noc2C)CC1 ZINC001502347059 1070260770 /nfs/dbraw/zinc/26/07/70/1070260770.db2.gz TUJOPTLRWKBALM-SFHVURJKSA-N 0 3 472.638 1.915 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502347322 1070262116 /nfs/dbraw/zinc/26/21/16/1070262116.db2.gz XTRJHTDWODIDRJ-LJQANCHMSA-N 0 3 485.681 1.505 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502347368 1070263942 /nfs/dbraw/zinc/26/39/42/1070263942.db2.gz YRTFTBAUCKXQQZ-OAQYLSRUSA-N 0 3 474.675 1.742 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502347367 1070264653 /nfs/dbraw/zinc/26/46/53/1070264653.db2.gz YRTFTBAUCKXQQZ-NRFANRHFSA-N 0 3 474.675 1.742 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001502352514 1070273550 /nfs/dbraw/zinc/27/35/50/1070273550.db2.gz FMKWWTGKSYWUEZ-SFHVURJKSA-N 0 3 488.603 1.517 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@H](O)CC3(CCCC3)C2)CC1 ZINC001502352470 1070274036 /nfs/dbraw/zinc/27/40/36/1070274036.db2.gz CZTVJHKEBJUKPQ-HXUWFJFHSA-N 0 3 461.655 1.575 20 0 JDADHN C[C@@H]1C[C@@H](C)CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2)C1 ZINC001493274573 1070274768 /nfs/dbraw/zinc/27/47/68/1070274768.db2.gz DAAITFBTFBFVSI-QWFCFKBJSA-N 0 3 463.652 1.918 20 0 JDADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2)C1 ZINC001493274576 1070275280 /nfs/dbraw/zinc/27/52/80/1070275280.db2.gz DAAITFBTFBFVSI-WSTZPKSXSA-N 0 3 463.652 1.918 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC001493275701 1070275641 /nfs/dbraw/zinc/27/56/41/1070275641.db2.gz OULAAISDULYXQR-QHAWAJNXSA-N 0 3 494.706 1.853 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC001502352819 1070276539 /nfs/dbraw/zinc/27/65/39/1070276539.db2.gz PJYQNTUKQSVHFU-OAQYLSRUSA-N 0 3 498.680 1.339 20 0 JDADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001502354931 1070283925 /nfs/dbraw/zinc/28/39/25/1070283925.db2.gz QGXOMBILCFOOEF-KSZLIROESA-N 0 3 473.713 1.246 20 0 JDADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2C2CCC2)CC1 ZINC001502354773 1070284387 /nfs/dbraw/zinc/28/43/87/1070284387.db2.gz NKDUZEJVOULLDR-ICSRJNTNSA-N 0 3 467.684 1.685 20 0 JDADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001493305754 1070285254 /nfs/dbraw/zinc/28/52/54/1070285254.db2.gz QMFFCJNVZGUGQX-RCLSDMTESA-N 0 3 498.694 1.641 20 0 JDADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001502355016 1070285349 /nfs/dbraw/zinc/28/53/49/1070285349.db2.gz RGQFQTQYYJQGAL-VQTJNVASSA-N 0 3 469.700 1.788 20 0 JDADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001502355166 1070285439 /nfs/dbraw/zinc/28/54/39/1070285439.db2.gz UAJRGPIUVFQAHR-FHWLQOOXSA-N 0 3 455.673 1.398 20 0 JDADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502357542 1070291152 /nfs/dbraw/zinc/29/11/52/1070291152.db2.gz AEHYFLAIRMKRFV-UHFFFAOYSA-N 0 3 457.627 1.091 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001502358815 1070297414 /nfs/dbraw/zinc/29/74/14/1070297414.db2.gz QTUSECPRLJVAIB-HXUWFJFHSA-N 0 3 482.695 1.603 20 0 JDADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)CC1 ZINC001502359011 1070297550 /nfs/dbraw/zinc/29/75/50/1070297550.db2.gz SUOUEOKIERDNPY-NRFANRHFSA-N 0 3 474.654 1.271 20 0 JDADHN 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C[C@@H]1CN(C)C(=O)CN1c1nnc(CC2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001494130769 1070421460 /nfs/dbraw/zinc/42/14/60/1070421460.db2.gz WAXIFZOHEDVQCH-UYAOXDASSA-N 0 3 459.639 1.620 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001502444142 1070428837 /nfs/dbraw/zinc/42/88/37/1070428837.db2.gz JYCVLVVVPXEHBS-GOSISDBHSA-N 0 3 458.611 1.724 20 0 JDADHN C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001494150380 1070445243 /nfs/dbraw/zinc/44/52/43/1070445243.db2.gz KADNPMUYDMIDLE-OALUTQOASA-N 0 3 484.605 1.483 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(C3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001502452337 1070452387 /nfs/dbraw/zinc/45/23/87/1070452387.db2.gz VOWNFOYUURECAH-HXUWFJFHSA-N 0 3 474.654 1.730 20 0 JDADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001494187080 1070455290 /nfs/dbraw/zinc/45/52/90/1070455290.db2.gz AAUZKYIMMQKOER-VKJFTORMSA-N 0 3 454.572 1.555 20 0 JDADHN CCNC(=O)N1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)CCOC)CC1 ZINC001502454511 1070460761 /nfs/dbraw/zinc/46/07/61/1070460761.db2.gz LDAAJZWPJCPZGI-HXUWFJFHSA-N 0 3 473.578 1.220 20 0 JDADHN CCNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1 ZINC001502454448 1070458940 /nfs/dbraw/zinc/45/89/40/1070458940.db2.gz JILIUPOZPBAJNC-RTBURBONSA-N 0 3 481.667 1.154 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(CC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001502454465 1070459568 /nfs/dbraw/zinc/45/95/68/1070459568.db2.gz JRBGNCAFJUOJNN-LJQANCHMSA-N 0 3 462.643 1.271 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001502456500 1070464893 /nfs/dbraw/zinc/46/48/93/1070464893.db2.gz CSKARNGHGKEIGL-FQEVSTJZSA-N 0 3 486.640 1.886 20 0 JDADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1CCN(C)Cc1ccccc1 ZINC001494196551 1070483623 /nfs/dbraw/zinc/48/36/23/1070483623.db2.gz AAQUSRAFQJBZPI-IAGOWNOFSA-N 0 3 452.650 1.962 20 0 JDADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2N(C)CCCC2(C)C)C1 ZINC001502463052 1070485789 /nfs/dbraw/zinc/48/57/89/1070485789.db2.gz DNSXTPDYWGJEPU-SJORKVTESA-N 0 3 469.656 1.055 20 0 JDADHN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H](C)C2)C1 ZINC001502463781 1070499328 /nfs/dbraw/zinc/49/93/28/1070499328.db2.gz VMCSJRPTMCDJKK-ROUUACIJSA-N 0 3 490.634 1.175 20 0 JDADHN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001502474643 1070544305 /nfs/dbraw/zinc/54/43/05/1070544305.db2.gz KMMHCEUEMHUOHQ-VQTJNVASSA-N 0 3 490.609 1.639 20 0 JDADHN CCc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCOCC3)CC2)cc1 ZINC001546239868 1070546117 /nfs/dbraw/zinc/54/61/17/1070546117.db2.gz DTULLAFQHYTXCL-LJQANCHMSA-N 0 3 490.674 1.994 20 0 JDADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001502475400 1070552579 /nfs/dbraw/zinc/55/25/79/1070552579.db2.gz XRPOBIPQSDRHGE-QRVBRYPASA-N 0 3 493.609 1.189 20 0 JDADHN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)C[C@@H](C)S1 ZINC001494347368 1070558633 /nfs/dbraw/zinc/55/86/33/1070558633.db2.gz REDHVXRYNDHNIM-MKXGPGLRSA-N 0 3 471.693 1.747 20 0 JDADHN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC(C)C)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001502476981 1070558623 /nfs/dbraw/zinc/55/86/23/1070558623.db2.gz JFLLXBYJIPYIPV-MOPGFXCFSA-N 0 3 455.673 1.021 20 0 JDADHN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC(C)C)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001502476982 1070558815 /nfs/dbraw/zinc/55/88/15/1070558815.db2.gz JFLLXBYJIPYIPV-OALUTQOASA-N 0 3 455.673 1.021 20 0 JDADHN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)Cc2ccccc2)C[C@H]1C ZINC001494362448 1070568357 /nfs/dbraw/zinc/56/83/57/1070568357.db2.gz GSHCXWBBUICZFN-SFHLNBCPSA-N 0 3 476.647 1.835 20 0 JDADHN C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001494416987 1070585207 /nfs/dbraw/zinc/58/52/07/1070585207.db2.gz QVVVPTYEPZOXIX-PZJWPPBQSA-N 0 3 455.607 1.822 20 0 JDADHN C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001494416989 1070585866 /nfs/dbraw/zinc/58/58/66/1070585866.db2.gz QVVVPTYEPZOXIX-TZIWHRDSSA-N 0 3 455.607 1.822 20 0 JDADHN CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001502487623 1070598221 /nfs/dbraw/zinc/59/82/21/1070598221.db2.gz TWBXXTZOVBTNAN-ICSRJNTNSA-N 0 3 490.653 1.312 20 0 JDADHN C[C@@H]1CN(CCCn2c(-c3ccccc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC001494524214 1070616957 /nfs/dbraw/zinc/61/69/57/1070616957.db2.gz PQXCGRYLAQHTQD-NHCUHLMSSA-N 0 3 469.634 1.655 20 0 JDADHN CCOC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC001502504236 1070623210 /nfs/dbraw/zinc/62/32/10/1070623210.db2.gz PVAVYLFOQHOKBI-NRFANRHFSA-N 0 3 484.649 1.816 20 0 JDADHN CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001502515518 1070634179 /nfs/dbraw/zinc/63/41/79/1070634179.db2.gz YWBFZUTWHQPHRO-ZCNNSNEGSA-N 0 3 491.637 1.549 20 0 JDADHN CCOC(=O)N[C@H](CC(C)C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001502515517 1070634419 /nfs/dbraw/zinc/63/44/19/1070634419.db2.gz YWBFZUTWHQPHRO-XUVXKRRUSA-N 0 3 491.637 1.549 20 0 JDADHN CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502536401 1070662957 /nfs/dbraw/zinc/66/29/57/1070662957.db2.gz ZUFUGFXDPJYXMW-FPOVZHCZSA-N 0 3 489.665 1.708 20 0 JDADHN CCOC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001502551670 1070668416 /nfs/dbraw/zinc/66/84/16/1070668416.db2.gz SGXHBIMVTSBTPH-LJQANCHMSA-N 0 3 458.611 1.842 20 0 JDADHN CCO[C@H](CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC001502589932 1070676345 /nfs/dbraw/zinc/67/63/45/1070676345.db2.gz AKGVKRGZXHTOEB-OAQYLSRUSA-N 0 3 470.622 1.931 20 0 JDADHN CCO[C@H](CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001502596455 1070679380 /nfs/dbraw/zinc/67/93/80/1070679380.db2.gz FOXGWQZCYNLAFT-PWRODBHTSA-N 0 3 462.639 1.976 20 0 JDADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001494714348 1070716970 /nfs/dbraw/zinc/71/69/70/1070716970.db2.gz DJURNAFWLDJTMP-UXHICEINSA-N 0 3 471.581 1.995 20 0 JDADHN CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001494714349 1070718019 /nfs/dbraw/zinc/71/80/19/1070718019.db2.gz DJURNAFWLDJTMP-VQTJNVASSA-N 0 3 471.581 1.995 20 0 JDADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)C1 ZINC001494715553 1070719497 /nfs/dbraw/zinc/71/94/97/1070719497.db2.gz MBEBMZQSQHEWAO-AQNXPRMDSA-N 0 3 480.679 1.796 20 0 JDADHN CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001494722309 1070722711 /nfs/dbraw/zinc/72/27/11/1070722711.db2.gz SMZXPXQOOHKKJH-YADHBBJMSA-N 0 3 496.660 1.702 20 0 JDADHN CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)C1 ZINC001494722979 1070723527 /nfs/dbraw/zinc/72/35/27/1070723527.db2.gz ONNMOXUXJGIMRK-MSOLQXFVSA-N 0 3 466.652 1.550 20 0 JDADHN CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001494734687 1070732215 /nfs/dbraw/zinc/73/22/15/1070732215.db2.gz SENHEUAMCYZWBK-KRWDZBQOSA-N 0 3 456.657 1.873 20 0 JDADHN CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001494766938 1070734904 /nfs/dbraw/zinc/73/49/04/1070734904.db2.gz IALOPTSMZZXCDW-CYFREDJKSA-N 0 3 470.622 1.691 20 0 JDADHN CCO[C@]1(c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CC(=O)NCc2ccco2)CCOC1 ZINC001502663846 1070742497 /nfs/dbraw/zinc/74/24/97/1070742497.db2.gz DEQSJMWCQYNARD-PMAPCBKXSA-N 0 3 460.579 1.759 20 0 JDADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CCN2CCN(C(C)=O)CC2)CCOC1 ZINC001502663716 1070742686 /nfs/dbraw/zinc/74/26/86/1070742686.db2.gz CCOKOCDIRBECJJ-DCLXLUIPSA-N 0 3 477.654 1.013 20 0 JDADHN CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001494782513 1070743307 /nfs/dbraw/zinc/74/33/07/1070743307.db2.gz PQFDBFHYKOWEGZ-VGSWGCGISA-N 0 3 461.998 1.897 20 0 JDADHN CCO[C@]1(c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001502672456 1070757323 /nfs/dbraw/zinc/75/73/23/1070757323.db2.gz NQBAFTFJVVRQGR-WDJPJFJCSA-N 0 3 456.591 1.935 20 0 JDADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001494897544 1070767618 /nfs/dbraw/zinc/76/76/18/1070767618.db2.gz MCDGTFDFJUFMEG-FDDCHVKYSA-N 0 3 456.595 1.277 20 0 JDADHN CC[C@@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001494932712 1070777677 /nfs/dbraw/zinc/77/76/77/1070777677.db2.gz JAKGWPJWQJYQME-DVECYGJZSA-N 0 3 462.639 1.746 20 0 JDADHN CC[C@H](C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001494956819 1070782032 /nfs/dbraw/zinc/78/20/32/1070782032.db2.gz GPCOUVQEQPPOCJ-SCTDSRPQSA-N 0 3 472.656 1.250 20 0 JDADHN CCO[C@]1(c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CCOC1 ZINC001502684923 1070790313 /nfs/dbraw/zinc/79/03/13/1070790313.db2.gz NLPIGKKQIBAPHP-IHFIDZABSA-N 0 3 483.679 1.922 20 0 JDADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[C@@H]1COCCO1 ZINC001495274117 1070800726 /nfs/dbraw/zinc/80/07/26/1070800726.db2.gz HDQNXBWYMNHCGD-MPJJRAAHSA-N 0 3 462.639 1.976 20 0 JDADHN CCO[C@]1(c2nnc(N3CCC[C@@](C)(OC)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCOC1 ZINC001502690833 1070802282 /nfs/dbraw/zinc/80/22/82/1070802282.db2.gz NICWQCMLMSGYNQ-NIJXNBFTSA-N 0 3 492.665 1.878 20 0 JDADHN CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001495399404 1070803227 /nfs/dbraw/zinc/80/32/27/1070803227.db2.gz JBGVAKSYICOCFK-WYEJZRMESA-N 0 3 488.681 1.880 20 0 JDADHN CCO[C@]1(c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001502692366 1070803924 /nfs/dbraw/zinc/80/39/24/1070803924.db2.gz CYNMSBQVWGXTCM-SQJMNOBHSA-N 0 3 491.681 1.309 20 0 JDADHN CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001495461241 1070804389 /nfs/dbraw/zinc/80/43/89/1070804389.db2.gz DIKUVEKPYUVDIT-ICSRJNTNSA-N 0 3 497.710 1.595 20 0 JDADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCNS(=O)(=O)CC ZINC001495479180 1070805204 /nfs/dbraw/zinc/80/52/04/1070805204.db2.gz ZKUFAYXXRHRLKZ-RTBURBONSA-N 0 3 455.673 1.336 20 0 JDADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCNS(=O)(=O)CC ZINC001495479175 1070805354 /nfs/dbraw/zinc/80/53/54/1070805354.db2.gz ZKUFAYXXRHRLKZ-RBUKOAKNSA-N 0 3 455.673 1.336 20 0 JDADHN CC[C@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001495580941 1070807270 /nfs/dbraw/zinc/80/72/70/1070807270.db2.gz YMOJWGGFDYJMHA-PWRODBHTSA-N 0 3 483.727 1.925 20 0 JDADHN CCO[C@]1(c2nnc(N3CCC[C@H](OC)C3)n2C[C@@H](C)CN2CCN(CC)CC2)CCOC1 ZINC001502694537 1070808017 /nfs/dbraw/zinc/80/80/17/1070808017.db2.gz AASCXYMRHKXZRQ-AWRGLXIESA-N 0 3 464.655 1.819 20 0 JDADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(=O)NC1CCCCC1 ZINC001495676535 1070813676 /nfs/dbraw/zinc/81/36/76/1070813676.db2.gz HTNXQTYGFNLFCT-AZUAARDMSA-N 0 3 459.639 1.983 20 0 JDADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(=O)NC1CCCCC1 ZINC001495676537 1070813736 /nfs/dbraw/zinc/81/37/36/1070813736.db2.gz HTNXQTYGFNLFCT-QUCCMNQESA-N 0 3 459.639 1.983 20 0 JDADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)CN1CCOCC1 ZINC001495695706 1070815668 /nfs/dbraw/zinc/81/56/68/1070815668.db2.gz KTSWBPDVXOYHMP-LEWJYISDSA-N 0 3 461.655 1.504 20 0 JDADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)CN1CCOCC1 ZINC001495695735 1070815874 /nfs/dbraw/zinc/81/58/74/1070815874.db2.gz KTSWBPDVXOYHMP-SFTDATJTSA-N 0 3 461.655 1.504 20 0 JDADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(C)(C)N1CCOCC1 ZINC001495698807 1070816126 /nfs/dbraw/zinc/81/61/26/1070816126.db2.gz SUAPNAOZSGAQRP-HXUWFJFHSA-N 0 3 461.655 1.647 20 0 JDADHN COc1cc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCN2CC=CCC2)cc(OC)c1OC ZINC001504070417 1070817191 /nfs/dbraw/zinc/81/71/91/1070817191.db2.gz CODJNOTXGNRHBY-UHFFFAOYSA-N 0 3 470.574 1.935 20 0 JDADHN CC[C@H](C)c1nnc(N2CCN(c3ncccn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001495775388 1070819871 /nfs/dbraw/zinc/81/98/71/1070819871.db2.gz SOWJCAFAHCJHME-PMACEKPBSA-N 0 3 469.638 1.851 20 0 JDADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCNS(=O)(=O)Cc1ccon1 ZINC001495790472 1070820251 /nfs/dbraw/zinc/82/02/51/1070820251.db2.gz GIRVXBZSNVIVOZ-QZTJIDSGSA-N 0 3 495.650 1.589 20 0 JDADHN CCO[C@]1(c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C)CN2CCOCC2)CCOC1 ZINC001502713963 1070821291 /nfs/dbraw/zinc/82/12/91/1070821291.db2.gz FIEHMYBFUVSMCU-NZQKXSOJSA-N 0 3 450.628 1.429 20 0 JDADHN CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CCN2CCN(C(C)=O)CC2)CCOC1 ZINC001502714030 1070821333 /nfs/dbraw/zinc/82/13/33/1070821333.db2.gz GHQNFUDDSQMTHC-DEOSSOPVSA-N 0 3 477.654 1.015 20 0 JDADHN CCO[C@@]1(c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C)CN2CCOCC2)CCOC1 ZINC001502713965 1070821374 /nfs/dbraw/zinc/82/13/74/1070821374.db2.gz FIEHMYBFUVSMCU-REWPJTCUSA-N 0 3 450.628 1.429 20 0 JDADHN CCO[C@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCN(C)Cc2ccc(F)cc2)CCOC1 ZINC001502719477 1070827812 /nfs/dbraw/zinc/82/78/12/1070827812.db2.gz YMYBYQGPEODZAW-HOYKHHGWSA-N 0 3 474.581 1.868 20 0 JDADHN CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001495804792 1070822862 /nfs/dbraw/zinc/82/28/62/1070822862.db2.gz RCEXOZQPTVRASR-IBGZPJMESA-N 0 3 460.671 1.218 20 0 JDADHN COc1cc(-c2nnc(N3CCN(CC4CC4)CC3)n2CCC(=O)N(C)C)cc(OC)c1OC ZINC001504081360 1070823824 /nfs/dbraw/zinc/82/38/24/1070823824.db2.gz VKFLJSCGNJKIAA-UHFFFAOYSA-N 0 3 472.590 1.981 20 0 JDADHN CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001495852157 1070826069 /nfs/dbraw/zinc/82/60/69/1070826069.db2.gz YNKYXSNNPIFWCW-XKGZKEIXSA-N 0 3 469.590 1.250 20 0 JDADHN CCO[C@@]1(c2nnc(N3CCN(C4CCCCC4)CC3)n2CCS(=O)(=O)NC(C)C)CCOC1 ZINC001502721285 1070828783 /nfs/dbraw/zinc/82/87/83/1070828783.db2.gz FHSUOKKJSAEMGT-QHCPKHFHSA-N 0 3 498.694 1.713 20 0 JDADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001496159484 1070831885 /nfs/dbraw/zinc/83/18/85/1070831885.db2.gz IIQZTVCMTQTIJZ-QZTJIDSGSA-N 0 3 466.652 1.897 20 0 JDADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 ZINC001496161898 1070832702 /nfs/dbraw/zinc/83/27/02/1070832702.db2.gz CKQTZCYXOGAMRA-ZWKOTPCHSA-N 0 3 462.624 1.027 20 0 JDADHN CCO[C@]1(c2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CC(=O)NC(C)C)CCOC1 ZINC001502723326 1070832739 /nfs/dbraw/zinc/83/27/39/1070832739.db2.gz XMGBWUCRFPWCTF-FDDCHVKYSA-N 0 3 464.611 1.144 20 0 JDADHN CC[C@H](C)N(C)CCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001496188303 1070833789 /nfs/dbraw/zinc/83/37/89/1070833789.db2.gz MWOKKTOEYCKYAL-PKOBYXMFSA-N 0 3 451.641 1.883 20 0 JDADHN CCO[C@@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCNS(C)(=O)=O)CCOC1 ZINC001502724550 1070833991 /nfs/dbraw/zinc/83/39/91/1070833991.db2.gz BPCFMTCINIMKSW-NRFANRHFSA-N 0 3 472.656 1.038 20 0 JDADHN CCO[C@]1(c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCC(=O)NC(C)C)CCOC1 ZINC001502725455 1070835300 /nfs/dbraw/zinc/83/53/00/1070835300.db2.gz JSJMKZVDPSUXQL-WMZHIEFXSA-N 0 3 464.611 1.003 20 0 JDADHN CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001496214927 1070836594 /nfs/dbraw/zinc/83/65/94/1070836594.db2.gz UJPRHWRLVQFOJW-SFHVURJKSA-N 0 3 461.611 1.120 20 0 JDADHN CCO[C@@]1(c2nnc(N3CCN(CC4CCOCC4)CC3)n2C[C@@](C)(O)C(C)C)CCOC1 ZINC001502726461 1070837419 /nfs/dbraw/zinc/83/74/19/1070837419.db2.gz WCNVHOGBTSUKCJ-RPWUZVMVSA-N 0 3 465.639 1.886 20 0 JDADHN CC[C@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001496245726 1070839909 /nfs/dbraw/zinc/83/99/09/1070839909.db2.gz XFEUADYSHSEPND-IBGZPJMESA-N 0 3 468.606 1.389 20 0 JDADHN CCO[C@]1(c2nnc(N3CCO[C@](C)(CC)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001502731967 1070841933 /nfs/dbraw/zinc/84/19/33/1070841933.db2.gz CLHYRTOFBNNNKB-DNQXCXABSA-N 0 3 464.655 1.962 20 0 JDADHN CCO[C@]1(c2nnc(N3CCO[C@H](CC)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001502737515 1070846787 /nfs/dbraw/zinc/84/67/87/1070846787.db2.gz YMLVAVVDCAUPDO-AUSIDOKSSA-N 0 3 450.628 1.571 20 0 JDADHN CCO[C@@]1(c2nnc(N3CCO[C@@](C)(CC)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001502731969 1070842349 /nfs/dbraw/zinc/84/23/49/1070842349.db2.gz CLHYRTOFBNNNKB-ZEQRLZLVSA-N 0 3 464.655 1.962 20 0 JDADHN CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001496279256 1070844511 /nfs/dbraw/zinc/84/45/11/1070844511.db2.gz OKIKNTKDPCAHBA-IBGZPJMESA-N 0 3 487.674 1.980 20 0 JDADHN COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2C[C@@H](C)OC)c1 ZINC001504125648 1070844698 /nfs/dbraw/zinc/84/46/98/1070844698.db2.gz JEIVFYDMMDNINN-DYESRHJHSA-N 0 3 472.590 1.740 20 0 JDADHN CCOc1cc(C)nc(N2CCN(c3nnc(C)n3C[C@@H](C)CN3CCN(CC)CC3)CC2)n1 ZINC001502776144 1070854926 /nfs/dbraw/zinc/85/49/26/1070854926.db2.gz IHHDCZJNDAPCIH-IBGZPJMESA-N 0 3 471.654 1.684 20 0 JDADHN COc1cc2c(cc1OC)CN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1CCCO)CC2 ZINC001504136267 1070852308 /nfs/dbraw/zinc/85/23/08/1070852308.db2.gz ZTZVJRJBNPJOIP-FQEVSTJZSA-N 0 3 486.617 1.843 20 0 JDADHN COc1ccc(Br)c(-c2nnc(N3CCNC(=O)C3)n2CCN2CC=CCC2)c1 ZINC001504140253 1070853941 /nfs/dbraw/zinc/85/39/41/1070853941.db2.gz IQMVWMQXNOPMIY-UHFFFAOYSA-N 0 3 461.364 1.914 20 0 JDADHN CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1)N(C)C ZINC001496663221 1070856383 /nfs/dbraw/zinc/85/63/83/1070856383.db2.gz WMJLTANUWPTBDM-FCEUIQTBSA-N 0 3 496.722 1.705 20 0 JDADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1)N(C)C ZINC001496663219 1070856399 /nfs/dbraw/zinc/85/63/99/1070856399.db2.gz WMJLTANUWPTBDM-BVSLBCMMSA-N 0 3 496.722 1.705 20 0 JDADHN CCOc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1OC ZINC001502799823 1070859107 /nfs/dbraw/zinc/85/91/07/1070859107.db2.gz NOBQCXCEMKDYPQ-ICSRJNTNSA-N 0 3 485.633 1.690 20 0 JDADHN 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COc1ccc(CCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2(N(C)C)CCOCC2)cc1 ZINC001504230024 1070895060 /nfs/dbraw/zinc/89/50/60/1070895060.db2.gz YXXIICVJVAIUOF-OAQYLSRUSA-N 0 3 491.658 1.806 20 0 JDADHN COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001504239060 1070905830 /nfs/dbraw/zinc/90/58/30/1070905830.db2.gz ILQRPDGRNDLFRZ-SFHVURJKSA-N 0 3 464.636 1.918 20 0 JDADHN CCOCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001502992987 1070948140 /nfs/dbraw/zinc/94/81/40/1070948140.db2.gz XSXQTLOGYMEKQW-RTWAWAEBSA-N 0 3 496.722 1.848 20 0 JDADHN COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)C[C@H]2C)cc1O ZINC001504261194 1070953133 /nfs/dbraw/zinc/95/31/33/1070953133.db2.gz OBUSFWVSNOCHGF-QGZVFWFLSA-N 0 3 472.590 1.868 20 0 JDADHN COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)cn1 ZINC001504262771 1070963429 /nfs/dbraw/zinc/96/34/29/1070963429.db2.gz BXJSAKDSRDMPIW-IRXDYDNUSA-N 0 3 493.634 1.030 20 0 JDADHN COc1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(OC)n1 ZINC001504263325 1070967147 /nfs/dbraw/zinc/96/71/47/1070967147.db2.gz GTESBUHRNCDTBO-SFHVURJKSA-N 0 3 457.579 1.605 20 0 JDADHN CCOCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(O)cc1 ZINC001503033031 1070988253 /nfs/dbraw/zinc/98/82/53/1070988253.db2.gz KQRSUXXHEYNAJG-XMSQKQJNSA-N 0 3 456.591 1.947 20 0 JDADHN CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503039682 1071001534 /nfs/dbraw/zinc/00/15/34/1071001534.db2.gz UYIRVGQTFYEKAP-UYAOXDASSA-N 0 3 488.633 1.911 20 0 JDADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCNS(C)(=O)=O ZINC001546288321 1071002520 /nfs/dbraw/zinc/00/25/20/1071002520.db2.gz MFDLXDDQKNLFHI-QZTJIDSGSA-N 0 3 464.636 1.888 20 0 JDADHN COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)c(OC)n1 ZINC001504277887 1071006205 /nfs/dbraw/zinc/00/62/05/1071006205.db2.gz PRTJAUPNXBOOJP-UHFFFAOYSA-N 0 3 471.606 1.682 20 0 JDADHN CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001503056820 1071011698 /nfs/dbraw/zinc/01/16/98/1071011698.db2.gz MHKQCUZTEIBCIO-JOCHJYFZSA-N 0 3 464.655 1.720 20 0 JDADHN CCOCc1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001503056523 1071011836 /nfs/dbraw/zinc/01/18/36/1071011836.db2.gz CSMLWXAPBXTHTE-FQEVSTJZSA-N 0 3 463.627 1.204 20 0 JDADHN CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001503058160 1071013748 /nfs/dbraw/zinc/01/37/48/1071013748.db2.gz UHDUJFFMDVJQTC-LJQANCHMSA-N 0 3 490.571 1.626 20 0 JDADHN CCOCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1cccc(C(=O)NC)c1 ZINC001503060177 1071015789 /nfs/dbraw/zinc/01/57/89/1071015789.db2.gz HELGORWRYCWYCE-JOCHJYFZSA-N 0 3 469.634 1.827 20 0 JDADHN CCOCc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001503066457 1071022414 /nfs/dbraw/zinc/02/24/14/1071022414.db2.gz LJJUAEJMRIGEIS-OFVILXPXSA-N 0 3 488.608 1.994 20 0 JDADHN CCOCc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001503066459 1071022501 /nfs/dbraw/zinc/02/25/01/1071022501.db2.gz LJJUAEJMRIGEIS-PXDATVDWSA-N 0 3 488.608 1.994 20 0 JDADHN CCOCc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503078349 1071028859 /nfs/dbraw/zinc/02/88/59/1071028859.db2.gz BIVWGNOQMDCJIN-SFTDATJTSA-N 0 3 461.655 1.679 20 0 JDADHN CCOCc1nnc(N2CCC[C@H]2c2nncn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001503089222 1071035205 /nfs/dbraw/zinc/03/52/05/1071035205.db2.gz DMFXAFGDUUNLFI-ROUUACIJSA-N 0 3 459.599 1.227 20 0 JDADHN CCOCc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@H](C)CN1CCOCC1 ZINC001503096069 1071038891 /nfs/dbraw/zinc/03/88/91/1071038891.db2.gz FVTWBIKUBZOHHP-RTWAWAEBSA-N 0 3 450.628 1.332 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1sc(C)nc1C ZINC001503097343 1071040728 /nfs/dbraw/zinc/04/07/28/1071040728.db2.gz BHXIRXSDVGUURL-SFHVURJKSA-N 0 3 461.636 1.873 20 0 JDADHN COc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCCNS(C)(=O)=O)cc1 ZINC001504311440 1071041670 /nfs/dbraw/zinc/04/16/70/1071041670.db2.gz IZABQAIRYVNKGG-UHFFFAOYSA-N 0 3 480.635 1.726 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001503097951 1071041785 /nfs/dbraw/zinc/04/17/85/1071041785.db2.gz FQPWELPCKXADDE-HXUWFJFHSA-N 0 3 469.590 1.045 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(C)(C)c1ccccn1 ZINC001503097886 1071041955 /nfs/dbraw/zinc/04/19/55/1071041955.db2.gz IFGFYMWCOANHRN-IBGZPJMESA-N 0 3 455.607 1.930 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H](c1ccco1)N(C)C ZINC001503098201 1071043237 /nfs/dbraw/zinc/04/32/37/1071043237.db2.gz LQIYAPSQVYCONE-RTBURBONSA-N 0 3 459.595 1.453 20 0 JDADHN CCOCc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503099380 1071045993 /nfs/dbraw/zinc/04/59/93/1071045993.db2.gz PSNOQZBRKAMVQP-FCHUYYIVSA-N 0 3 463.671 1.389 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001503099517 1071046572 /nfs/dbraw/zinc/04/65/72/1071046572.db2.gz NLKMUSLFQYJGPO-NHCUHLMSSA-N 0 3 491.681 1.447 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(COC)c1 ZINC001503100186 1071049822 /nfs/dbraw/zinc/04/98/22/1071049822.db2.gz WUNJKJMWSCXYIL-UHFFFAOYSA-N 0 3 456.591 1.754 20 0 JDADHN COc1cccc([C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)OC)N2CCCC2)c1 ZINC001504324511 1071059265 /nfs/dbraw/zinc/05/92/65/1071059265.db2.gz FFRAUGLZDGQQCD-PMACEKPBSA-N 0 3 494.618 1.454 20 0 JDADHN COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)N(C)C)c1 ZINC001504324203 1071058231 /nfs/dbraw/zinc/05/82/31/1071058231.db2.gz COHRRKVNUXOKMI-NRFANRHFSA-N 0 3 499.616 1.007 20 0 JDADHN CCOCc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503109142 1071062576 /nfs/dbraw/zinc/06/25/76/1071062576.db2.gz ONDIFRIBYCKGQC-UHFFFAOYSA-N 0 3 461.590 1.096 20 0 JDADHN CCOCc1nnc(N2CCN(c3cnccn3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503107289 1071059746 /nfs/dbraw/zinc/05/97/46/1071059746.db2.gz LSUBQPHLVQXTLS-FQEVSTJZSA-N 0 3 457.627 1.205 20 0 JDADHN COc1cccc([C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCC3)C2)N(C)C)c1 ZINC001504325233 1071059718 /nfs/dbraw/zinc/05/97/18/1071059718.db2.gz PBVBRHLCGOFDEA-YLJYHZDGSA-N 0 3 492.646 1.959 20 0 JDADHN COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)CC2)N(C)C)c1 ZINC001504326009 1071060763 /nfs/dbraw/zinc/06/07/63/1071060763.db2.gz SIIGLJCADVPDJT-OAQYLSRUSA-N 0 3 469.590 1.381 20 0 JDADHN CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001503115438 1071075865 /nfs/dbraw/zinc/07/58/65/1071075865.db2.gz QILXYOSAVHLERL-MSOLQXFVSA-N 0 3 452.600 1.886 20 0 JDADHN CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@@H](c1cccs1)N(C)C ZINC001503115796 1071077122 /nfs/dbraw/zinc/07/71/22/1071077122.db2.gz CLXBOLWZJFFTAP-HOTGVXAUSA-N 0 3 461.592 1.652 20 0 JDADHN CCOCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCn1cc(Br)cn1 ZINC001503115534 1071077325 /nfs/dbraw/zinc/07/73/25/1071077325.db2.gz TWYOSLNEUCATGT-MRXNPFEDSA-N 0 3 468.400 1.632 20 0 JDADHN CCOCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CC1CCN(C(=O)OC)CC1 ZINC001503115503 1071077483 /nfs/dbraw/zinc/07/74/83/1071077483.db2.gz SMCWXVRRWXKEIJ-UHFFFAOYSA-N 0 3 464.611 1.842 20 0 JDADHN CCOCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001503116537 1071080084 /nfs/dbraw/zinc/08/00/84/1071080084.db2.gz HLHBFMANFHXPHX-AZUAARDMSA-N 0 3 464.636 1.896 20 0 JDADHN CCOCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001503116074 1071079410 /nfs/dbraw/zinc/07/94/10/1071079410.db2.gz ZQEIPCHFJUYTAA-UHFFFAOYSA-N 0 3 492.646 1.253 20 0 JDADHN CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001503116726 1071080607 /nfs/dbraw/zinc/08/06/07/1071080607.db2.gz JFSFUWSGMVUWJK-QGZVFWFLSA-N 0 3 468.649 1.795 20 0 JDADHN COc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001504356584 1071089181 /nfs/dbraw/zinc/08/91/81/1071089181.db2.gz SNZXNECNBKBOQP-INIZCTEOSA-N 0 3 450.609 1.866 20 0 JDADHN COc1ccccc1[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)OC)N1CCCC1 ZINC001504367772 1071100943 /nfs/dbraw/zinc/10/09/43/1071100943.db2.gz CSYKIZZMIMBWQF-DOTOQJQBSA-N 0 3 452.581 1.732 20 0 JDADHN COc1ccccc1[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC(N)=O)N1CCCC1 ZINC001504369263 1071103103 /nfs/dbraw/zinc/10/31/03/1071103103.db2.gz KZIGDXKTVPXZJW-QRQLOZEOSA-N 0 3 469.590 1.775 20 0 JDADHN COc1ccccc1-c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001504387213 1071119790 /nfs/dbraw/zinc/11/97/90/1071119790.db2.gz GYHDKRBXJHWORI-UHFFFAOYSA-N 0 3 456.591 1.981 20 0 JDADHN COc1ccccc1-c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCNC(=O)C(C)C ZINC001504388863 1071123212 /nfs/dbraw/zinc/12/32/12/1071123212.db2.gz YGUVHSLGVFZRNS-LJQANCHMSA-N 0 3 456.591 1.884 20 0 JDADHN CCOCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503174505 1071121263 /nfs/dbraw/zinc/12/12/63/1071121263.db2.gz WUTVUQMDSRUITB-DENIHFKCSA-N 0 3 470.622 1.931 20 0 JDADHN CCOCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 ZINC001503191109 1071136416 /nfs/dbraw/zinc/13/64/16/1071136416.db2.gz AZQGJYWKHFJVSM-SFHVURJKSA-N 0 3 455.625 1.298 20 0 JDADHN COc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001504410903 1071157215 /nfs/dbraw/zinc/15/72/15/1071157215.db2.gz SXIHCKOMNJHMDP-HXUWFJFHSA-N 0 3 483.617 1.099 20 0 JDADHN CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503212757 1071159447 /nfs/dbraw/zinc/15/94/47/1071159447.db2.gz RPWSWFPRPZOMDQ-QGZVFWFLSA-N 0 3 475.619 1.049 20 0 JDADHN CCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503211953 1071158156 /nfs/dbraw/zinc/15/81/56/1071158156.db2.gz LMBMFIYFDWHTLN-PGRDOPGGSA-N 0 3 472.638 1.555 20 0 JDADHN CCOCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC=CCC2)C[C@@H]1CC ZINC001503216023 1071164662 /nfs/dbraw/zinc/16/46/62/1071164662.db2.gz KXJHHLSICBGFLA-NRFANRHFSA-N 0 3 459.639 1.713 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001503218491 1071170184 /nfs/dbraw/zinc/17/01/84/1071170184.db2.gz CPCWVGBIHUNUSI-JOCHJYFZSA-N 0 3 459.639 1.799 20 0 JDADHN COc1ccccc1CN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC2)CC1 ZINC001504423620 1071178971 /nfs/dbraw/zinc/17/89/71/1071178971.db2.gz DVXNVCOESXPWGY-UHFFFAOYSA-N 0 3 455.607 1.843 20 0 JDADHN CCOCCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001503223096 1071186398 /nfs/dbraw/zinc/18/63/98/1071186398.db2.gz LOCMLTDQCMTUAH-SFTDATJTSA-N 0 3 450.628 1.299 20 0 JDADHN CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)CC1 ZINC001503225426 1071194486 /nfs/dbraw/zinc/19/44/86/1071194486.db2.gz YWXYYRRBFOOPJE-LJQANCHMSA-N 0 3 468.668 1.213 20 0 JDADHN COc1ccccc1OCc1nnc(N2C[C@@H](OC)[C@@H](OC)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504442213 1071213563 /nfs/dbraw/zinc/21/35/63/1071213563.db2.gz ZZLFZAACXYYMPK-SZPZYZBQSA-N 0 3 488.633 1.742 20 0 JDADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C(C)C)C1 ZINC001503236115 1071220102 /nfs/dbraw/zinc/22/01/02/1071220102.db2.gz LWHAGPGEMTYBCB-ROUUACIJSA-N 0 3 456.657 1.796 20 0 JDADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCC1 ZINC001503239670 1071228696 /nfs/dbraw/zinc/22/86/96/1071228696.db2.gz LDHIVKNSBKKFET-HNNXBMFYSA-N 0 3 466.608 1.750 20 0 JDADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503244620 1071242210 /nfs/dbraw/zinc/24/22/10/1071242210.db2.gz XRRAYLYUJPDJRD-SFHVURJKSA-N 0 3 463.652 1.626 20 0 JDADHN CO[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001504481906 1071257533 /nfs/dbraw/zinc/25/75/33/1071257533.db2.gz ZJTROYPVYAVDPD-TYBLODHISA-N 0 3 492.665 1.877 20 0 JDADHN CO[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001504481903 1071257845 /nfs/dbraw/zinc/25/78/45/1071257845.db2.gz ZJTROYPVYAVDPD-CZSZKKDXSA-N 0 3 492.665 1.877 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)C1CCCC1 ZINC001503250021 1071261018 /nfs/dbraw/zinc/26/10/18/1071261018.db2.gz JUWVWLODLJCUEL-UHFFFAOYSA-N 0 3 466.608 1.751 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCNC(=O)CC2)CC1 ZINC001504491002 1071266825 /nfs/dbraw/zinc/26/68/25/1071266825.db2.gz WPXRTXUCIBYGTH-UHFFFAOYSA-N 0 3 470.578 1.141 20 0 JDADHN CO[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC[C@@H]1C ZINC001504493495 1071271243 /nfs/dbraw/zinc/27/12/43/1071271243.db2.gz FFXXFKBQNJIMFA-XUVXKRRUSA-N 0 3 475.638 1.318 20 0 JDADHN CO[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1(C)C ZINC001504493842 1071272085 /nfs/dbraw/zinc/27/20/85/1071272085.db2.gz IMCYEOQOTFHWBV-MSOLQXFVSA-N 0 3 463.627 1.220 20 0 JDADHN CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CC1(C)C ZINC001504508828 1071283270 /nfs/dbraw/zinc/28/32/70/1071283270.db2.gz BFOUBRAQRPMHSE-GUDVDZBRSA-N 0 3 469.652 1.278 20 0 JDADHN CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503257775 1071296568 /nfs/dbraw/zinc/29/65/68/1071296568.db2.gz KOLVPXLJOVQODG-UHFFFAOYSA-N 0 3 491.658 1.861 20 0 JDADHN CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503258234 1071299668 /nfs/dbraw/zinc/29/96/68/1071299668.db2.gz OTFHADVQXLDOTP-UHFFFAOYSA-N 0 3 462.620 1.247 20 0 JDADHN CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503258881 1071302334 /nfs/dbraw/zinc/30/23/34/1071302334.db2.gz OUTDJXHDYBLAKI-UHFFFAOYSA-N 0 3 474.631 1.433 20 0 JDADHN CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503261322 1071312445 /nfs/dbraw/zinc/31/24/45/1071312445.db2.gz TXEULVNHTAIYRY-UHFFFAOYSA-N 0 3 492.621 1.187 20 0 JDADHN COCC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001504536073 1071338551 /nfs/dbraw/zinc/33/85/51/1071338551.db2.gz DEQSELXYANVAMX-IBGZPJMESA-N 0 3 455.588 2.000 20 0 JDADHN COCC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001504536028 1071338608 /nfs/dbraw/zinc/33/86/08/1071338608.db2.gz ZUMKESXYXBJRPI-QUCCMNQESA-N 0 3 460.554 1.519 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001503270464 1071357866 /nfs/dbraw/zinc/35/78/66/1071357866.db2.gz QLPGCZKAZJMYQH-UHFFFAOYSA-N 0 3 452.629 1.128 20 0 JDADHN COC[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001504558562 1071382076 /nfs/dbraw/zinc/38/20/76/1071382076.db2.gz MOOCREGYTDDTJZ-QZTJIDSGSA-N 0 3 457.579 1.897 20 0 JDADHN CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001503277088 1071393906 /nfs/dbraw/zinc/39/39/06/1071393906.db2.gz ILKZXUVPEYFGIH-SFHVURJKSA-N 0 3 456.657 1.670 20 0 JDADHN COC[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504567586 1071389488 /nfs/dbraw/zinc/38/94/88/1071389488.db2.gz CCUFANZJQXYHGC-IRLDBZIGSA-N 0 3 470.618 1.925 20 0 JDADHN CCS(=O)(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503277366 1071395572 /nfs/dbraw/zinc/39/55/72/1071395572.db2.gz MCWKBXBVAWIKKW-UHFFFAOYSA-N 0 3 497.691 1.520 20 0 JDADHN CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001503277367 1071395706 /nfs/dbraw/zinc/39/57/06/1071395706.db2.gz JOKJKDDJVKCHIO-UHFFFAOYSA-N 0 3 489.646 1.166 20 0 JDADHN COC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)OC ZINC001504577924 1071399816 /nfs/dbraw/zinc/39/98/16/1071399816.db2.gz GVNAUMVRECKMLV-UNMCSNQZSA-N 0 3 486.617 1.967 20 0 JDADHN CCS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001503279205 1071410373 /nfs/dbraw/zinc/41/03/73/1071410373.db2.gz BNZVPJMPCRRORA-FQEVSTJZSA-N 0 3 484.667 1.050 20 0 JDADHN COC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001504582608 1071408949 /nfs/dbraw/zinc/40/89/49/1071408949.db2.gz YAGALLRXIPUILW-QGZVFWFLSA-N 0 3 483.411 1.998 20 0 JDADHN COC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001504585660 1071415465 /nfs/dbraw/zinc/41/54/65/1071415465.db2.gz LJIZIXSEFQEMAN-QHAWAJNXSA-N 0 3 450.628 1.786 20 0 JDADHN CCS(=O)(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC2CC2)CC1 ZINC001503279989 1071417273 /nfs/dbraw/zinc/41/72/73/1071417273.db2.gz FYFQPJZBSHXFHK-UHFFFAOYSA-N 0 3 486.440 1.507 20 0 JDADHN CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503283690 1071447390 /nfs/dbraw/zinc/44/73/90/1071447390.db2.gz BHZJUHYPYCXLPY-IBGZPJMESA-N 0 3 470.640 1.008 20 0 JDADHN COC[C@H](F)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504607641 1071462665 /nfs/dbraw/zinc/46/26/65/1071462665.db2.gz IQFWOEQAHQLXCW-NFBKMPQASA-N 0 3 469.602 1.852 20 0 JDADHN COC[C@@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504608625 1071465924 /nfs/dbraw/zinc/46/59/24/1071465924.db2.gz MJMBECQKJMYQJF-UNMCSNQZSA-N 0 3 488.608 1.799 20 0 JDADHN CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC001503285285 1071466552 /nfs/dbraw/zinc/46/65/52/1071466552.db2.gz GZVAWCYSYGVOIS-CGKQSPDFSA-N 0 3 458.632 1.993 20 0 JDADHN COC[C@H](F)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001504612962 1071472700 /nfs/dbraw/zinc/47/27/00/1071472700.db2.gz JWNUZCIZJJLVMU-BQJUDKOJSA-N 0 3 468.618 1.591 20 0 JDADHN COCC1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001504617566 1071478315 /nfs/dbraw/zinc/47/83/15/1071478315.db2.gz AMNINJUJRRTIAR-RBUKOAKNSA-N 0 3 475.638 1.425 20 0 JDADHN COCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001504638545 1071500226 /nfs/dbraw/zinc/50/02/26/1071500226.db2.gz MJJZZHZAGASGLJ-NRFANRHFSA-N 0 3 483.617 1.354 20 0 JDADHN CC[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503296400 1071509854 /nfs/dbraw/zinc/50/98/54/1071509854.db2.gz NIDCRODACQVNDD-IQVDJAOASA-N 0 3 480.038 1.505 20 0 JDADHN CC[S@](=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001503301254 1071520616 /nfs/dbraw/zinc/52/06/16/1071520616.db2.gz QANZBNCJWYOFDN-KTBRYMIGSA-N 0 3 459.664 1.637 20 0 JDADHN CC[S@@](=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001503301257 1071520450 /nfs/dbraw/zinc/52/04/50/1071520450.db2.gz QANZBNCJWYOFDN-XFSFLGPDSA-N 0 3 459.664 1.637 20 0 JDADHN COC[C@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001504665315 1071527263 /nfs/dbraw/zinc/52/72/63/1071527263.db2.gz PFSRWCCBOIZAIM-OALUTQOASA-N 0 3 485.699 1.167 20 0 JDADHN CC[S@@](=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503304668 1071527879 /nfs/dbraw/zinc/52/78/79/1071527879.db2.gz YOWHJMIUTFZTMZ-UUWRZZSWSA-N 0 3 488.658 1.679 20 0 JDADHN COC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)C1 ZINC001504687290 1071542871 /nfs/dbraw/zinc/54/28/71/1071542871.db2.gz XKTPBCYPFOADAC-HSALFYBXSA-N 0 3 469.652 1.280 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccsc2)nnc1N1CCC(C(N)=O)CC1 ZINC001503357206 1071557893 /nfs/dbraw/zinc/55/78/93/1071557893.db2.gz HDUXCZMPXMEDDC-LJQANCHMSA-N 0 3 473.647 1.575 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001503357669 1071560009 /nfs/dbraw/zinc/56/00/09/1071560009.db2.gz AEWDUOFHFSRTGO-WOJBJXKFSA-N 0 3 475.638 1.207 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001503357873 1071562123 /nfs/dbraw/zinc/56/21/23/1071562123.db2.gz BLUZGAFVYYMEAB-IBGZPJMESA-N 0 3 473.666 1.916 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccn1 ZINC001503357925 1071562159 /nfs/dbraw/zinc/56/21/59/1071562159.db2.gz PPFHJHMVDXNKCC-FQEVSTJZSA-N 0 3 468.606 1.375 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001503357976 1071562469 /nfs/dbraw/zinc/56/24/69/1071562469.db2.gz CGEMESCXAQKDHE-TZIWHRDSSA-N 0 3 482.633 1.298 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCOC1 ZINC001503359585 1071569738 /nfs/dbraw/zinc/56/97/38/1071569738.db2.gz MGEYIQPEDUPKEM-OALUTQOASA-N 0 3 484.605 1.341 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(F)(F)F ZINC001503359433 1071569907 /nfs/dbraw/zinc/56/99/07/1071569907.db2.gz LXUPWTNBLLFNOJ-OAHLLOKOSA-N 0 3 485.511 1.947 20 0 JDADHN COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC(C)CC2)C[C@H](C)O1 ZINC001504712432 1071569776 /nfs/dbraw/zinc/56/97/76/1071569776.db2.gz XBJVMXJIZNDLNP-OALUTQOASA-N 0 3 457.579 1.897 20 0 JDADHN COC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC(C)CC2)C[C@@H](C)O1 ZINC001504712437 1071569963 /nfs/dbraw/zinc/56/99/63/1071569963.db2.gz XBJVMXJIZNDLNP-RTBURBONSA-N 0 3 457.579 1.897 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CCCc2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001503358318 1071565360 /nfs/dbraw/zinc/56/53/60/1071565360.db2.gz UGKYAKPUAGMFCF-JOCHJYFZSA-N 0 3 481.645 1.722 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 ZINC001503361927 1071579558 /nfs/dbraw/zinc/57/95/58/1071579558.db2.gz ZRZSMKLCTSXFTQ-HXUWFJFHSA-N 0 3 483.665 1.926 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N(C)Cc2ccccc2)CCO1 ZINC001504725072 1071591536 /nfs/dbraw/zinc/59/15/36/1071591536.db2.gz AUSOCEADPOYJRY-NNWRFLSQSA-N 0 3 491.658 1.942 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC001504725172 1071591561 /nfs/dbraw/zinc/59/15/61/1071591561.db2.gz KEINSYPHQPTCNZ-TUFLPTIASA-N 0 3 478.638 1.703 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CCO1 ZINC001504725509 1071592496 /nfs/dbraw/zinc/59/24/96/1071592496.db2.gz CCNVAVKOWOUHML-ROUUACIJSA-N 0 3 455.625 1.296 20 0 JDADHN CN(C)C(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001503366999 1071594496 /nfs/dbraw/zinc/59/44/96/1071594496.db2.gz IJXXETHIONIAHM-UHFFFAOYSA-N 0 3 489.646 1.297 20 0 JDADHN CN(C)C(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503368495 1071597373 /nfs/dbraw/zinc/59/73/73/1071597373.db2.gz OXTFVCVZJXCQLO-KRWDZBQOSA-N 0 3 462.545 1.784 20 0 JDADHN CN(C)C(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503373867 1071610422 /nfs/dbraw/zinc/61/04/22/1071610422.db2.gz IEIADTDNRYBHQM-OALUTQOASA-N 0 3 491.637 1.597 20 0 JDADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504738315 1071615627 /nfs/dbraw/zinc/61/56/27/1071615627.db2.gz DPKHPRQMEGXTGF-BURNTYAHSA-N 0 3 480.654 1.268 20 0 JDADHN CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccsc1 ZINC001503380076 1071635354 /nfs/dbraw/zinc/63/53/54/1071635354.db2.gz ICGNYJHNOPKOLX-SFHVURJKSA-N 0 3 478.648 1.561 20 0 JDADHN CN(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccc(F)c1 ZINC001503381488 1071636871 /nfs/dbraw/zinc/63/68/71/1071636871.db2.gz BYOJUCWGPMUTBF-HKUYNNGSSA-N 0 3 466.583 1.306 20 0 JDADHN CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1)c1ccc(F)cc1 ZINC001503382698 1071638390 /nfs/dbraw/zinc/63/83/90/1071638390.db2.gz SBXOJBZJGZCHCM-FQEVSTJZSA-N 0 3 470.553 1.591 20 0 JDADHN CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCOCC1 ZINC001503387183 1071645577 /nfs/dbraw/zinc/64/55/77/1071645577.db2.gz NYRJNROWEVYGEA-JOCHJYFZSA-N 0 3 490.630 1.161 20 0 JDADHN CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 ZINC001503388773 1071647402 /nfs/dbraw/zinc/64/74/02/1071647402.db2.gz QSKBBJPVKUHUJM-TZIWHRDSSA-N 0 3 476.647 1.945 20 0 JDADHN CN(C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001503397952 1071656832 /nfs/dbraw/zinc/65/68/32/1071656832.db2.gz HHZLMZYKDCSUGO-UHFFFAOYSA-N 0 3 480.679 1.926 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 ZINC001503397546 1071656192 /nfs/dbraw/zinc/65/61/92/1071656192.db2.gz DXGMWMFSICSSGH-KRWDZBQOSA-N 0 3 481.692 1.941 20 0 JDADHN CN(C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001503397607 1071656205 /nfs/dbraw/zinc/65/62/05/1071656205.db2.gz DBLCDEWWBRCXLF-KRWDZBQOSA-N 0 3 454.641 1.392 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001503400488 1071661596 /nfs/dbraw/zinc/66/15/96/1071661596.db2.gz UIGQYKLMRFEETM-LJQANCHMSA-N 0 3 484.711 1.563 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001503400486 1071661610 /nfs/dbraw/zinc/66/16/10/1071661610.db2.gz UIGQYKLMRFEETM-IBGZPJMESA-N 0 3 484.711 1.563 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001503400498 1071661634 /nfs/dbraw/zinc/66/16/34/1071661634.db2.gz UIQLIUBEUNTTRV-ZWKOTPCHSA-N 0 3 482.695 1.899 20 0 JDADHN CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ncn(C)n2)c1 ZINC001503405646 1071674934 /nfs/dbraw/zinc/67/49/34/1071674934.db2.gz LUBUZFNUYNODKR-UHFFFAOYSA-N 0 3 487.634 1.293 20 0 JDADHN COCCCN(c1nnc(-c2cnccn2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001504816852 1071693904 /nfs/dbraw/zinc/69/39/04/1071693904.db2.gz GJXKYUKFAIUIOQ-GOSISDBHSA-N 0 3 477.635 1.640 20 0 JDADHN CN(c1nnc(C(C)(C)C)n1CCC(=O)N1CCOCC1)C1CCN(CCn2cccn2)CC1 ZINC001503410074 1071695954 /nfs/dbraw/zinc/69/59/54/1071695954.db2.gz LWPNPKKRNWRHCG-UHFFFAOYSA-N 0 3 472.638 1.622 20 0 JDADHN COCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504819047 1071702710 /nfs/dbraw/zinc/70/27/10/1071702710.db2.gz DTYHPGZLHRGKIH-OAQYLSRUSA-N 0 3 483.617 1.927 20 0 JDADHN COCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001504825231 1071710649 /nfs/dbraw/zinc/71/06/49/1071710649.db2.gz VDNZTNLHFJVJDV-SFHVURJKSA-N 0 3 463.604 1.544 20 0 JDADHN COCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001504830281 1071713273 /nfs/dbraw/zinc/71/32/73/1071713273.db2.gz KHUALWHPCPMSAG-MHJFOBGBSA-N 0 3 484.667 1.348 20 0 JDADHN COCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001504830282 1071713326 /nfs/dbraw/zinc/71/33/26/1071713326.db2.gz KHUALWHPCPMSAG-SOAGJPPSSA-N 0 3 484.667 1.348 20 0 JDADHN COCCCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001504838259 1071736812 /nfs/dbraw/zinc/73/68/12/1071736812.db2.gz SWAYDJPKDSBZLW-UHFFFAOYSA-N 0 3 456.591 1.795 20 0 JDADHN CN(C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCCC2)CC1)S(C)(=O)=O ZINC001503436092 1071734355 /nfs/dbraw/zinc/73/43/55/1071734355.db2.gz HFLNEMDTJQGZPP-IBGZPJMESA-N 0 3 454.641 1.866 20 0 JDADHN CN(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1)c1cccs1 ZINC001503437934 1071744289 /nfs/dbraw/zinc/74/42/89/1071744289.db2.gz ODXZIWICINJXAN-GOSISDBHSA-N 0 3 455.588 2.000 20 0 JDADHN COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001504853049 1071757124 /nfs/dbraw/zinc/75/71/24/1071757124.db2.gz ZBFRBAKXERHTEY-UHFFFAOYSA-N 0 3 480.573 1.371 20 0 JDADHN COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001504853049 1071757133 /nfs/dbraw/zinc/75/71/33/1071757133.db2.gz ZBFRBAKXERHTEY-UHFFFAOYSA-N 0 3 480.573 1.371 20 0 JDADHN CN(c1nnc(CN2CCCC2=O)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001503448396 1071766947 /nfs/dbraw/zinc/76/69/47/1071766947.db2.gz HXMLBCFWSULAPP-QGZVFWFLSA-N 0 3 452.625 1.146 20 0 JDADHN COCCN(C)CCn1c(C2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001504856555 1071770668 /nfs/dbraw/zinc/77/06/68/1071770668.db2.gz AYGZVVGWEQFRRJ-UHFFFAOYSA-N 0 3 461.655 1.648 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001504856684 1071770889 /nfs/dbraw/zinc/77/08/89/1071770889.db2.gz FFCBOIVCEMGACS-QGZVFWFLSA-N 0 3 462.986 1.182 20 0 JDADHN COCCN(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001504857002 1071773079 /nfs/dbraw/zinc/77/30/79/1071773079.db2.gz FZVFJFVHVZJWHP-UHFFFAOYSA-N 0 3 471.993 1.757 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001504857783 1071779357 /nfs/dbraw/zinc/77/93/57/1071779357.db2.gz RVBUOVUCVVYIHH-ZWKOTPCHSA-N 0 3 479.626 1.282 20 0 JDADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 ZINC001504857187 1071775195 /nfs/dbraw/zinc/77/51/95/1071775195.db2.gz IDJMCGDSGUNBLO-LJQANCHMSA-N 0 3 484.667 1.350 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001504857225 1071775247 /nfs/dbraw/zinc/77/52/47/1071775247.db2.gz 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1.940 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001504858024 1071779862 /nfs/dbraw/zinc/77/98/62/1071779862.db2.gz VQWQCKNUSIOMDI-VQTJNVASSA-N 0 3 463.627 1.680 20 0 JDADHN COCCN(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001504858152 1071781458 /nfs/dbraw/zinc/78/14/58/1071781458.db2.gz WAJVTWGKZZTCCE-CYFREDJKSA-N 0 3 494.637 1.782 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001504858025 1071781505 /nfs/dbraw/zinc/78/15/05/1071781505.db2.gz VQWQCKNUSIOMDI-WOJBJXKFSA-N 0 3 463.627 1.680 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001504858519 1071783031 /nfs/dbraw/zinc/78/30/31/1071783031.db2.gz ZGUZTYXCLBOMJO-JOCHJYFZSA-N 0 3 490.674 1.760 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001504858261 1071783075 /nfs/dbraw/zinc/78/30/75/1071783075.db2.gz XIZLERUKTXBNBL-FQEVSTJZSA-N 0 3 471.606 1.919 20 0 JDADHN CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503464832 1071784407 /nfs/dbraw/zinc/78/44/07/1071784407.db2.gz GXDLRSYXGJMEAM-NRFANRHFSA-N 0 3 469.634 1.933 20 0 JDADHN COCCN(C)CCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001504859957 1071790818 /nfs/dbraw/zinc/79/08/18/1071790818.db2.gz BAVUFGFRUZHDII-NHCUHLMSSA-N 0 3 477.698 1.971 20 0 JDADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001504859271 1071787210 /nfs/dbraw/zinc/78/72/10/1071787210.db2.gz YQDNXYSXCDOSQG-HXUWFJFHSA-N 0 3 489.665 1.454 20 0 JDADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001504859211 1071787639 /nfs/dbraw/zinc/78/76/39/1071787639.db2.gz WLYQDZWPZKYCDE-SIKLNZKXSA-N 0 3 489.690 1.497 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001504860557 1071794657 /nfs/dbraw/zinc/79/46/57/1071794657.db2.gz IBTXHMZHGKJJAK-VSZNYVQBSA-N 0 3 451.568 1.889 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001504860558 1071794847 /nfs/dbraw/zinc/79/48/47/1071794847.db2.gz IBTXHMZHGKJJAK-XMTFNYHQSA-N 0 3 451.568 1.889 20 0 JDADHN COCCN(C)CCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001504861539 1071799547 /nfs/dbraw/zinc/79/95/47/1071799547.db2.gz OSAWZVKFNMISKS-AVRDEDQJSA-N 0 3 468.599 1.174 20 0 JDADHN COCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504895821 1071821070 /nfs/dbraw/zinc/82/10/70/1071821070.db2.gz HQTSPZXPXINLTB-CTNGQTDRSA-N 0 3 486.617 1.891 20 0 JDADHN COCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504895828 1071821113 /nfs/dbraw/zinc/82/11/13/1071821113.db2.gz HQTSPZXPXINLTB-TZIWHRDSSA-N 0 3 486.617 1.891 20 0 JDADHN COCCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)cn1 ZINC001504897175 1071823609 /nfs/dbraw/zinc/82/36/09/1071823609.db2.gz NBKPTDKHIKEKNK-UHFFFAOYSA-N 0 3 467.578 1.595 20 0 JDADHN CN(CC1CC(F)(F)C1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503524749 1071826351 /nfs/dbraw/zinc/82/63/51/1071826351.db2.gz XWNIRFGDMGRVCY-KRWDZBQOSA-N 0 3 474.622 1.688 20 0 JDADHN COCCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3ccccc3C2)C[C@H]1C ZINC001504904399 1071843223 /nfs/dbraw/zinc/84/32/23/1071843223.db2.gz OAYCNJWDRNWHHL-HXUWFJFHSA-N 0 3 469.634 1.632 20 0 JDADHN COCCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)N(C)C)C[C@@H]1C ZINC001504904755 1071844954 /nfs/dbraw/zinc/84/49/54/1071844954.db2.gz QEYHFDTZEOSLBK-PKOBYXMFSA-N 0 3 463.652 1.938 20 0 JDADHN CN(CCC(F)F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 ZINC001503573287 1071857678 /nfs/dbraw/zinc/85/76/78/1071857678.db2.gz CFOQCUWFUIXFPU-DLBZAZTESA-N 0 3 476.594 1.719 20 0 JDADHN COCCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001504909566 1071861578 /nfs/dbraw/zinc/86/15/78/1071861578.db2.gz BFDHCLXBPXAQAY-UHFFFAOYSA-N 0 3 488.633 1.842 20 0 JDADHN COCCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CC=CCC2)CC1=O ZINC001504909690 1071862140 /nfs/dbraw/zinc/86/21/40/1071862140.db2.gz GIZXQTCVUJPDBL-UHFFFAOYSA-N 0 3 492.422 1.603 20 0 JDADHN CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001503594711 1071870700 /nfs/dbraw/zinc/87/07/00/1071870700.db2.gz HUCMNQRGAWTTFB-MOPGFXCFSA-N 0 3 491.637 1.645 20 0 JDADHN CN(CCCCCO)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 ZINC001503591608 1071868773 /nfs/dbraw/zinc/86/87/73/1071868773.db2.gz HMORNQUQDMARCH-LJQANCHMSA-N 0 3 469.652 1.424 20 0 JDADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001504914409 1071874992 /nfs/dbraw/zinc/87/49/92/1071874992.db2.gz OZCPUEZCQAWJIV-OAQYLSRUSA-N 0 3 456.570 1.889 20 0 JDADHN COCCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1=O ZINC001504915205 1071876860 /nfs/dbraw/zinc/87/68/60/1071876860.db2.gz KARMGKJDIJNJLL-JOCHJYFZSA-N 0 3 481.601 1.890 20 0 JDADHN CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001503604042 1071884707 /nfs/dbraw/zinc/88/47/07/1071884707.db2.gz QIXXFCUCBSCCIX-YADHBBJMSA-N 0 3 491.658 1.944 20 0 JDADHN COCCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504917727 1071883779 /nfs/dbraw/zinc/88/37/79/1071883779.db2.gz WLKIAQKLIKNSGW-FPOVZHCZSA-N 0 3 458.611 1.249 20 0 JDADHN COCCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001504917729 1071883846 /nfs/dbraw/zinc/88/38/46/1071883846.db2.gz WLKIAQKLIKNSGW-TZIWHRDSSA-N 0 3 458.611 1.249 20 0 JDADHN COCCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504916287 1071879881 /nfs/dbraw/zinc/87/98/81/1071879881.db2.gz FESJIPZMCTYHTE-SLFFLAALSA-N 0 3 472.638 1.780 20 0 JDADHN COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001504920246 1071892109 /nfs/dbraw/zinc/89/21/09/1071892109.db2.gz PKBCRCHEMXHBMX-YPAWHYETSA-N 0 3 464.655 1.686 20 0 JDADHN COCCN1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001504919885 1071891025 /nfs/dbraw/zinc/89/10/25/1071891025.db2.gz LMNQMHAPINLQRZ-FQEVSTJZSA-N 0 3 463.671 1.578 20 0 JDADHN CN(CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccc(F)cc1 ZINC001503611161 1071895485 /nfs/dbraw/zinc/89/54/85/1071895485.db2.gz NNSLRNJOYFEGEV-UHFFFAOYSA-N 0 3 498.611 1.473 20 0 JDADHN COCCN1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)CC1=O ZINC001504922109 1071897543 /nfs/dbraw/zinc/89/75/43/1071897543.db2.gz CZHMFKIBKFGVPG-UHFFFAOYSA-N 0 3 487.624 1.329 20 0 JDADHN CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001503618307 1071905137 /nfs/dbraw/zinc/90/51/37/1071905137.db2.gz FTWLNNBDMBINNG-JOCHJYFZSA-N 0 3 469.634 1.862 20 0 JDADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCSC2)C1 ZINC001504926894 1071921329 /nfs/dbraw/zinc/92/13/29/1071921329.db2.gz MSEYVTJZKVFDHU-PNCHPQGNSA-N 0 3 495.694 1.221 20 0 JDADHN CN(CCNS(C)(=O)=O)c1nnc(C2CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001503623248 1071926424 /nfs/dbraw/zinc/92/64/24/1071926424.db2.gz BFPHHVUDHXMBJU-HXUWFJFHSA-N 0 3 462.620 1.432 20 0 JDADHN CN(C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 ZINC001503623335 1071926979 /nfs/dbraw/zinc/92/69/79/1071926979.db2.gz BWZBVLNJRGJCBO-OALUTQOASA-N 0 3 450.609 1.808 20 0 JDADHN CN(C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 ZINC001503623337 1071927084 /nfs/dbraw/zinc/92/70/84/1071927084.db2.gz BWZBVLNJRGJCBO-RBUKOAKNSA-N 0 3 450.609 1.808 20 0 JDADHN CN(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 ZINC001503623339 1071927192 /nfs/dbraw/zinc/92/71/92/1071927192.db2.gz BWZBVLNJRGJCBO-RTBURBONSA-N 0 3 450.609 1.808 20 0 JDADHN CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCNS(C)(=O)=O)c1cccc(F)c1 ZINC001503624067 1071930582 /nfs/dbraw/zinc/93/05/82/1071930582.db2.gz PCRTWZKHRBRKRX-SFHVURJKSA-N 0 3 464.571 1.106 20 0 JDADHN COCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 ZINC001504932145 1071941084 /nfs/dbraw/zinc/94/10/84/1071941084.db2.gz GRTSRMXNMZBVLP-FQEVSTJZSA-N 0 3 489.665 1.614 20 0 JDADHN COCCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CC=CCC2)CC1 ZINC001504937819 1071970631 /nfs/dbraw/zinc/97/06/31/1071970631.db2.gz QYDIZKADIREMIR-UHFFFAOYSA-N 0 3 453.591 1.505 20 0 JDADHN Cn1cc(-c2nnc(N3CCN(CC4CCOCC4)CC3)n2CCCOCC(F)F)cn1 ZINC001503653216 1071979932 /nfs/dbraw/zinc/97/99/32/1071979932.db2.gz OODQCWVVLSUCFC-UHFFFAOYSA-N 0 3 453.538 1.899 20 0 JDADHN COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@H]1OCC[C@H]1C ZINC001504942525 1071985595 /nfs/dbraw/zinc/98/55/95/1071985595.db2.gz DMTXXBNLUGICMI-SDHKCTLJSA-N 0 3 492.665 1.806 20 0 JDADHN COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CCN1CCN(C)C(C)(C)C1 ZINC001504947574 1071991434 /nfs/dbraw/zinc/99/14/34/1071991434.db2.gz DEEFURKZYIBWMG-MQEZQYLSSA-N 0 3 464.655 1.625 20 0 JDADHN Cn1cccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001503669518 1071996830 /nfs/dbraw/zinc/99/68/30/1071996830.db2.gz AWGBAKAVPBXFFA-UHFFFAOYSA-N 0 3 450.609 1.144 20 0 JDADHN Cn1cccc1-c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001503668535 1071995143 /nfs/dbraw/zinc/99/51/43/1071995143.db2.gz DUUYJVPJKFHGQN-UHFFFAOYSA-N 0 3 486.621 1.553 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCN1CCCCC1 ZINC001504957522 1072000981 /nfs/dbraw/zinc/00/09/81/1072000981.db2.gz KRVFSVQQGFGLPV-NZQKXSOJSA-N 0 3 450.628 1.789 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCN1CCCCC1 ZINC001504957521 1072001143 /nfs/dbraw/zinc/00/11/43/1072001143.db2.gz KRVFSVQQGFGLPV-NFBKMPQASA-N 0 3 450.628 1.789 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504968275 1072016565 /nfs/dbraw/zinc/01/65/65/1072016565.db2.gz RMAMFCNFWJGHFT-GOSISDBHSA-N 0 3 465.643 1.133 20 0 JDADHN CN1CCN(CCn2c([C@H]3CCCO3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1(C)C ZINC001503685826 1072017634 /nfs/dbraw/zinc/01/76/34/1072017634.db2.gz IDKOMZMHFSUAHQ-RTBURBONSA-N 0 3 468.668 1.559 20 0 JDADHN CN1CCN(CCn2c([C@H]3CCCO3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1(C)C ZINC001503685825 1072017828 /nfs/dbraw/zinc/01/78/28/1072017828.db2.gz IDKOMZMHFSUAHQ-RBUKOAKNSA-N 0 3 468.668 1.559 20 0 JDADHN CN1CCN(CCn2c([C@@H]3CCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1(C)C ZINC001503685718 1072017872 /nfs/dbraw/zinc/01/78/72/1072017872.db2.gz XQQRSKBWZHOCDN-MOPGFXCFSA-N 0 3 468.668 1.212 20 0 JDADHN CN1CCN(CCn2c([C@H]3CCCO3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1(C)C ZINC001503686373 1072019144 /nfs/dbraw/zinc/01/91/44/1072019144.db2.gz PIIIMRHQGXGZPH-DLBZAZTESA-N 0 3 487.571 1.660 20 0 JDADHN CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001503689247 1072024772 /nfs/dbraw/zinc/02/47/72/1072024772.db2.gz WAPLFBJABOMHEW-KRWDZBQOSA-N 0 3 484.605 1.387 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504979125 1072028887 /nfs/dbraw/zinc/02/88/87/1072028887.db2.gz KJSKRIBXZUWADG-QUCCMNQESA-N 0 3 465.643 1.133 20 0 JDADHN CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001503695817 1072034762 /nfs/dbraw/zinc/03/47/62/1072034762.db2.gz UWDXZIRHHVQGDJ-IBGZPJMESA-N 0 3 457.627 1.056 20 0 JDADHN CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001503696766 1072037327 /nfs/dbraw/zinc/03/73/27/1072037327.db2.gz FOQGTWPSZYOUJX-HXUWFJFHSA-N 0 3 454.623 1.717 20 0 JDADHN CNC(=O)C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001503699207 1072040956 /nfs/dbraw/zinc/04/09/56/1072040956.db2.gz ITRZMGJWZSPAMU-UXHICEINSA-N 0 3 461.655 1.897 20 0 JDADHN CNC(=O)C(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001503699209 1072040987 /nfs/dbraw/zinc/04/09/87/1072040987.db2.gz ITRZMGJWZSPAMU-VQTJNVASSA-N 0 3 461.655 1.897 20 0 JDADHN CNC(=O)C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001503699206 1072041032 /nfs/dbraw/zinc/04/10/32/1072041032.db2.gz ITRZMGJWZSPAMU-PMACEKPBSA-N 0 3 461.655 1.897 20 0 JDADHN CNC(=O)C(C)(C)Cn1c(-c2ccccn2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503697854 1072039820 /nfs/dbraw/zinc/03/98/20/1072039820.db2.gz VTWSKEWTAPWTFR-RXVVDRJESA-N 0 3 482.633 1.491 20 0 JDADHN CNC(=O)C(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001503699211 1072041131 /nfs/dbraw/zinc/04/11/31/1072041131.db2.gz ITRZMGJWZSPAMU-WOJBJXKFSA-N 0 3 461.655 1.897 20 0 JDADHN CNC(=O)C(C)(C)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503697856 1072040045 /nfs/dbraw/zinc/04/00/45/1072040045.db2.gz VTWSKEWTAPWTFR-WIYYLYMNSA-N 0 3 482.633 1.491 20 0 JDADHN CNC(=O)C(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503702450 1072043462 /nfs/dbraw/zinc/04/34/62/1072043462.db2.gz STQCWIOWTNXVTF-IBGZPJMESA-N 0 3 459.639 1.526 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCN1CCN(C)C(C)(C)C1 ZINC001504989630 1072046541 /nfs/dbraw/zinc/04/65/41/1072046541.db2.gz TYOZMRREFYKQOC-OALUTQOASA-N 0 3 465.643 1.085 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCOC(C)(C)C ZINC001504989842 1072047303 /nfs/dbraw/zinc/04/73/03/1072047303.db2.gz LHEMMDWRQWRBLD-RTBURBONSA-N 0 3 466.627 1.560 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(O)CCCC1 ZINC001504991199 1072051211 /nfs/dbraw/zinc/05/12/11/1072051211.db2.gz QYTVDCIVOTUDHR-MOPGFXCFSA-N 0 3 464.611 1.050 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1ccccn1 ZINC001504991842 1072054183 /nfs/dbraw/zinc/05/41/83/1072054183.db2.gz VXYRDLVPWRZYPH-TZIWHRDSSA-N 0 3 471.606 1.383 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1cc(C)nn1C ZINC001504992854 1072058217 /nfs/dbraw/zinc/05/82/17/1072058217.db2.gz AUFRCVZLBQVNER-RTBURBONSA-N 0 3 461.611 1.782 20 0 JDADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC1CCN(C(C)=O)CC1 ZINC001504995408 1072064618 /nfs/dbraw/zinc/06/46/18/1072064618.db2.gz QWANKQDJASXFAQ-IBGZPJMESA-N 0 3 478.638 1.562 20 0 JDADHN COCCO[C@H](C)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@H](c1ccsc1)N(C)C ZINC001505001303 1072081042 /nfs/dbraw/zinc/08/10/42/1072081042.db2.gz WLSYRIQDFGMYNO-RLLQIKCJSA-N 0 3 464.636 1.887 20 0 JDADHN COCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)CC2)cc1 ZINC001505013473 1072098212 /nfs/dbraw/zinc/09/82/12/1072098212.db2.gz VTAJMVSCQLYGHB-UHFFFAOYSA-N 0 3 486.617 1.791 20 0 JDADHN COCCOC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)CC1 ZINC001505029906 1072121694 /nfs/dbraw/zinc/12/16/94/1072121694.db2.gz AUONNMIEHBUEPG-PZJWPPBQSA-N 0 3 483.679 1.932 20 0 JDADHN COCCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)C1 ZINC001505033146 1072126912 /nfs/dbraw/zinc/12/69/12/1072126912.db2.gz WCPUEYBMDQSPFD-WOJBJXKFSA-N 0 3 469.652 1.544 20 0 JDADHN COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001505052218 1072151290 /nfs/dbraw/zinc/15/12/90/1072151290.db2.gz LPXONAGPKXEZQD-UHFFFAOYSA-N 0 3 465.620 1.932 20 0 JDADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001505067938 1072172886 /nfs/dbraw/zinc/17/28/86/1072172886.db2.gz LLEMMEANHZOCFQ-DFPDZIMCSA-N 0 3 486.617 1.981 20 0 JDADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001505067940 1072173062 /nfs/dbraw/zinc/17/30/62/1072173062.db2.gz LLEMMEANHZOCFQ-FAHLNCGFSA-N 0 3 486.617 1.981 20 0 JDADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001505068794 1072174318 /nfs/dbraw/zinc/17/43/18/1072174318.db2.gz OZBYWXLKEGGWCR-XEYPJELSSA-N 0 3 460.554 1.756 20 0 JDADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001505075966 1072189500 /nfs/dbraw/zinc/18/95/00/1072189500.db2.gz SNWDRWZSYQWPRD-BURNTYAHSA-N 0 3 464.655 1.889 20 0 JDADHN CS(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCN2CCCC2)c1 ZINC001505121399 1072270322 /nfs/dbraw/zinc/27/03/22/1072270322.db2.gz HJEFYSKNICXYOB-GOSISDBHSA-N 0 3 460.604 1.536 20 0 JDADHN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC[C@H](C(F)F)C3)n2CCN2CCCCC2)C1 ZINC001505138165 1072330460 /nfs/dbraw/zinc/33/04/60/1072330460.db2.gz MUCHLWVSTVRDSB-IRXDYDNUSA-N 0 3 476.594 1.578 20 0 JDADHN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCN2CCCCC2)C1 ZINC001505138171 1072330553 /nfs/dbraw/zinc/33/05/53/1072330553.db2.gz MUCHLWVSTVRDSB-SJORKVTESA-N 0 3 476.594 1.578 20 0 JDADHN CS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC2CC2)CC1 ZINC001505147285 1072378285 /nfs/dbraw/zinc/37/82/85/1072378285.db2.gz RKAHNHNTWYWMAU-UHFFFAOYSA-N 0 3 450.584 1.479 20 0 JDADHN COc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1I ZINC001464733837 1067641231 /nfs/dbraw/zinc/64/12/31/1067641231.db2.gz XAKOUSRRQMDWNS-HNNXBMFYSA-N 0 3 459.328 1.972 20 0 JDADHN C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)CN1CCN(C)CC1 ZINC001464878347 1067681457 /nfs/dbraw/zinc/68/14/57/1067681457.db2.gz GZEGPIQDHAFQIO-QYZOEREBSA-N 0 3 452.621 1.098 20 0 JDADHN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC001464886099 1067685319 /nfs/dbraw/zinc/68/53/19/1067685319.db2.gz GJRDFSCRZVCDLQ-DFBJGRDBSA-N 0 3 455.603 1.765 20 0 JDADHN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC001464886093 1067685355 /nfs/dbraw/zinc/68/53/55/1067685355.db2.gz GJRDFSCRZVCDLQ-CLOONOSVSA-N 0 3 455.603 1.765 20 0 JDADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 ZINC001464889828 1067686582 /nfs/dbraw/zinc/68/65/82/1067686582.db2.gz VEORCBPXNXGPGC-GOSISDBHSA-N 0 3 453.580 1.794 20 0 JDADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 ZINC001464889834 1067686796 /nfs/dbraw/zinc/68/67/96/1067686796.db2.gz VEORCBPXNXGPGC-SFHVURJKSA-N 0 3 453.580 1.794 20 0 JDADHN CN(CCN1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1)Cc1ccccc1 ZINC001464938542 1067706971 /nfs/dbraw/zinc/70/69/71/1067706971.db2.gz PDYUANIGBHHBMC-YADHBBJMSA-N 0 3 454.596 1.967 20 0 JDADHN 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CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N2CCCC2)CCO1 ZINC001508372727 1073148235 /nfs/dbraw/zinc/14/82/35/1073148235.db2.gz VSECOMKRGKTFBH-YADHBBJMSA-N 0 3 483.617 1.595 20 0 JDADHN CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CCO1 ZINC001508381008 1073175875 /nfs/dbraw/zinc/17/58/75/1073175875.db2.gz VXNPDMRBSISLKY-BDTNDASRSA-N 0 3 456.591 1.735 20 0 JDADHN CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CCO1 ZINC001508381018 1073175988 /nfs/dbraw/zinc/17/59/88/1073175988.db2.gz VXNPDMRBSISLKY-YPAWHYETSA-N 0 3 456.591 1.735 20 0 JDADHN CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001508390498 1073200161 /nfs/dbraw/zinc/20/01/61/1073200161.db2.gz YNEPVMILGJPVQJ-UHFFFAOYSA-N 0 3 462.620 1.795 20 0 JDADHN CC(=O)NCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001508408296 1073216728 /nfs/dbraw/zinc/21/67/28/1073216728.db2.gz QFAZWGYKNHCFOO-DEOSSOPVSA-N 0 3 478.638 1.394 20 0 JDADHN CC(C)(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001508526632 1073273722 /nfs/dbraw/zinc/27/37/22/1073273722.db2.gz MHSNXHHPOIAQMJ-UHFFFAOYSA-N 0 3 453.653 1.949 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOCC2)CC1 ZINC001508618681 1073286830 /nfs/dbraw/zinc/28/68/30/1073286830.db2.gz GPSUOIURWJWPHR-UHFFFAOYSA-N 0 3 456.595 1.568 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)CC1 ZINC001508620089 1073287437 /nfs/dbraw/zinc/28/74/37/1073287437.db2.gz QOMCMWPWPLVFFQ-RTBURBONSA-N 0 3 484.667 1.348 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001508620683 1073287707 /nfs/dbraw/zinc/28/77/07/1073287707.db2.gz UDQNKZVWVVIZGP-HNNXBMFYSA-N 0 3 460.970 1.902 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNS(C)(=O)=O)CC1 ZINC001508620154 1073287728 /nfs/dbraw/zinc/28/77/28/1073287728.db2.gz PZUVYBYELCSIQX-UHFFFAOYSA-N 0 3 474.429 1.505 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)CC1 ZINC001508621149 1073287802 /nfs/dbraw/zinc/28/78/02/1073287802.db2.gz VXRPKOVMMPOBNU-MOPGFXCFSA-N 0 3 484.667 1.206 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)CC1 ZINC001508621155 1073288118 /nfs/dbraw/zinc/28/81/18/1073288118.db2.gz VXRPKOVMMPOBNU-RTBURBONSA-N 0 3 484.667 1.206 20 0 JDADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCCCO2)CC1 ZINC001508624367 1073291469 /nfs/dbraw/zinc/29/14/69/1073291469.db2.gz VDXMHAVIEDANIX-MOPGFXCFSA-N 0 3 484.667 1.491 20 0 JDADHN CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001508624988 1073292252 /nfs/dbraw/zinc/29/22/52/1073292252.db2.gz XDNOICWPPQXLSV-UHFFFAOYSA-N 0 3 475.638 1.254 20 0 JDADHN CC(C)(C)OC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508660722 1073319296 /nfs/dbraw/zinc/31/92/96/1073319296.db2.gz ATDBPBYABONPTF-LJQANCHMSA-N 0 3 491.637 1.693 20 0 JDADHN CC(C)(C)OC(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001508670849 1073327761 /nfs/dbraw/zinc/32/77/61/1073327761.db2.gz RRFKMKQYRGAFPL-IBGZPJMESA-N 0 3 471.606 1.947 20 0 JDADHN CC(C)(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001508694138 1073339281 /nfs/dbraw/zinc/33/92/81/1073339281.db2.gz XLCXRPYPMGJNEN-HXUWFJFHSA-N 0 3 498.694 1.881 20 0 JDADHN CC(C)(CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001508719936 1073350399 /nfs/dbraw/zinc/35/03/99/1073350399.db2.gz BXQCGVJGQUFGBQ-IRXDYDNUSA-N 0 3 452.625 1.004 20 0 JDADHN CC(C)=CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508742961 1073357010 /nfs/dbraw/zinc/35/70/10/1073357010.db2.gz ZWHWDYLKKRYLMQ-SFHVURJKSA-N 0 3 454.641 1.793 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 ZINC001508768836 1073362399 /nfs/dbraw/zinc/36/23/99/1073362399.db2.gz NALRFAATDZCPTN-LEWJYISDSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc(C3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001508770550 1073364671 /nfs/dbraw/zinc/36/46/71/1073364671.db2.gz ZYWDADBBXGKCOT-HXUWFJFHSA-N 0 3 459.639 1.793 20 0 JDADHN CC(C)C(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508771801 1073366276 /nfs/dbraw/zinc/36/62/76/1073366276.db2.gz DDSRARUKTFQLPW-VQTJNVASSA-N 0 3 459.639 1.839 20 0 JDADHN CC(C)C(=O)NCCCn1c(-c2cccn2C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508799460 1073385255 /nfs/dbraw/zinc/38/52/55/1073385255.db2.gz NYWMLUJSOMCIJK-UHFFFAOYSA-N 0 3 457.623 1.995 20 0 JDADHN CC(C)C(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001508801797 1073386105 /nfs/dbraw/zinc/38/61/05/1073386105.db2.gz ICQBDMJAHMOYOF-UHFFFAOYSA-N 0 3 455.607 1.727 20 0 JDADHN CC(C)C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508805580 1073388347 /nfs/dbraw/zinc/38/83/47/1073388347.db2.gz VDTMTTHEGFQALM-NRFANRHFSA-N 0 3 462.639 1.883 20 0 JDADHN CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001508805931 1073388483 /nfs/dbraw/zinc/38/84/83/1073388483.db2.gz WUGCMRJYWYPEQO-OAQYLSRUSA-N 0 3 462.639 1.883 20 0 JDADHN CC(C)C(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001508806963 1073388877 /nfs/dbraw/zinc/38/88/77/1073388877.db2.gz UAVBOOJZCRMDAO-LEWJYISDSA-N 0 3 461.655 1.897 20 0 JDADHN CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001508812920 1073392020 /nfs/dbraw/zinc/39/20/20/1073392020.db2.gz DVNGOVIVRSEDTC-UHFFFAOYSA-N 0 3 459.639 1.989 20 0 JDADHN CC(C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508843158 1073411153 /nfs/dbraw/zinc/41/11/53/1073411153.db2.gz HBCVCANXGHCPBN-DEOSSOPVSA-N 0 3 455.607 1.415 20 0 JDADHN CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)N1CCCC1 ZINC001508872297 1073432751 /nfs/dbraw/zinc/43/27/51/1073432751.db2.gz ITRQYXRZIFWIGE-QYZOEREBSA-N 0 3 468.668 1.779 20 0 JDADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCN1CCCS1(=O)=O ZINC001508962073 1073456157 /nfs/dbraw/zinc/45/61/57/1073456157.db2.gz ZJVOTKDYAYGUTP-IBGZPJMESA-N 0 3 453.657 1.042 20 0 JDADHN CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CCN1CC=CCC1 ZINC001508975452 1073458564 /nfs/dbraw/zinc/45/85/64/1073458564.db2.gz GXWGXBAPTTXXGL-LJQANCHMSA-N 0 3 452.625 1.294 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001508995547 1073468059 /nfs/dbraw/zinc/46/80/59/1073468059.db2.gz FGEQDDYJKLMBIA-KRWDZBQOSA-N 0 3 454.641 1.358 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001508995607 1073468171 /nfs/dbraw/zinc/46/81/71/1073468171.db2.gz HCLSJVLYHKZDRN-NRFANRHFSA-N 0 3 488.658 1.737 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001508996538 1073468760 /nfs/dbraw/zinc/46/87/60/1073468760.db2.gz OISKYRPNAHHKGS-HXUWFJFHSA-N 0 3 459.639 1.935 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001508996415 1073468945 /nfs/dbraw/zinc/46/89/45/1073468945.db2.gz MEPPIENNJDFQSM-QZTJIDSGSA-N 0 3 452.625 1.112 20 0 JDADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001509005603 1073473925 /nfs/dbraw/zinc/47/39/25/1073473925.db2.gz ZYCIXSBGNGVHCG-SFHVURJKSA-N 0 3 483.617 1.354 20 0 JDADHN CCc1ccccc1OCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(=O)N(C)CC ZINC001546312441 1073481839 /nfs/dbraw/zinc/48/18/39/1073481839.db2.gz WXZCXAHLVMNWAU-OAQYLSRUSA-N 0 3 497.644 1.641 20 0 JDADHN CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001509078157 1073490795 /nfs/dbraw/zinc/49/07/95/1073490795.db2.gz XNYXJILKAZKWLJ-LJQANCHMSA-N 0 3 470.622 1.813 20 0 JDADHN CC(C)Cc1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001509188975 1073522066 /nfs/dbraw/zinc/52/20/66/1073522066.db2.gz MVNCCCXJOCURIA-CTNGQTDRSA-N 0 3 473.666 1.914 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001509206828 1073530134 /nfs/dbraw/zinc/53/01/34/1073530134.db2.gz AALITVMJSDFIRG-NRFANRHFSA-N 0 3 467.618 1.561 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001509207055 1073530350 /nfs/dbraw/zinc/53/03/50/1073530350.db2.gz FBKWRMOUVMVHQM-LJQANCHMSA-N 0 3 466.652 1.044 20 0 JDADHN CC(C)Cc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001509230831 1073542036 /nfs/dbraw/zinc/54/20/36/1073542036.db2.gz IEPQDELBNPBPSR-RTWAWAEBSA-N 0 3 472.638 1.521 20 0 JDADHN CC(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001509253091 1073546737 /nfs/dbraw/zinc/54/67/37/1073546737.db2.gz IHESLYZYYJNWTB-FQEVSTJZSA-N 0 3 468.668 1.307 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001509265431 1073555197 /nfs/dbraw/zinc/55/51/97/1073555197.db2.gz YCKZZFBQOWNYFE-FQEVSTJZSA-N 0 3 476.647 1.525 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001509265434 1073556122 /nfs/dbraw/zinc/55/61/22/1073556122.db2.gz YCKZZFBQOWNYFE-HXUWFJFHSA-N 0 3 476.647 1.525 20 0 JDADHN CC(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001509310505 1073561436 /nfs/dbraw/zinc/56/14/36/1073561436.db2.gz IOYOLMQLSNIECF-QUCCMNQESA-N 0 3 484.667 1.347 20 0 JDADHN CC(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001509316312 1073562637 /nfs/dbraw/zinc/56/26/37/1073562637.db2.gz YMNFKGZJGVQFEN-UXHICEINSA-N 0 3 452.669 1.831 20 0 JDADHN CC(C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001509346071 1073567206 /nfs/dbraw/zinc/56/72/06/1073567206.db2.gz BYGNHOTXGIRZTR-SFTDATJTSA-N 0 3 462.639 1.978 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001509402271 1073575825 /nfs/dbraw/zinc/57/58/25/1073575825.db2.gz FQTSTUQKCCLAGW-GOSISDBHSA-N 0 3 471.597 1.550 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)CC1=O ZINC001509403892 1073579822 /nfs/dbraw/zinc/57/98/22/1073579822.db2.gz QSXXYGLRGGEPAG-SFHVURJKSA-N 0 3 454.579 1.714 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@H]2C)CC1 ZINC001509406377 1073585387 /nfs/dbraw/zinc/58/53/87/1073585387.db2.gz UVYQEOYUFGNPSW-ZJSXRUAMSA-N 0 3 464.655 1.817 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc3c(c2)OCO3)CC1 ZINC001509407172 1073586799 /nfs/dbraw/zinc/58/67/99/1073586799.db2.gz XPCMFMVUEXSRSF-KRWDZBQOSA-N 0 3 494.618 1.474 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc3c(c2)OCO3)CC1 ZINC001509407177 1073586997 /nfs/dbraw/zinc/58/69/97/1073586997.db2.gz XPCMFMVUEXSRSF-QGZVFWFLSA-N 0 3 494.618 1.474 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 ZINC001509418116 1073593502 /nfs/dbraw/zinc/59/35/02/1073593502.db2.gz BPSBPIVWQGBKNR-AWEZNQCLSA-N 0 3 450.481 1.924 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001509420726 1073595497 /nfs/dbraw/zinc/59/54/97/1073595497.db2.gz GYXILTUOOPFESF-UHFFFAOYSA-N 0 3 457.604 1.941 20 0 JDADHN CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001509424438 1073598406 /nfs/dbraw/zinc/59/84/06/1073598406.db2.gz UXSCMSLGBBISOB-UHFFFAOYSA-N 0 3 454.554 1.939 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)CC1 ZINC001509426533 1073600756 /nfs/dbraw/zinc/60/07/56/1073600756.db2.gz GEDNZACFYXTUML-OALUTQOASA-N 0 3 486.708 1.675 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)CC1 ZINC001509426535 1073600894 /nfs/dbraw/zinc/60/08/94/1073600894.db2.gz GEDNZACFYXTUML-RBUKOAKNSA-N 0 3 486.708 1.675 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@H](C)C2)CC1 ZINC001509427280 1073601668 /nfs/dbraw/zinc/60/16/68/1073601668.db2.gz IWHYASGOMANTFT-AABGKKOBSA-N 0 3 468.668 1.825 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)CC1=O ZINC001509428328 1073603053 /nfs/dbraw/zinc/60/30/53/1073603053.db2.gz MJELDWVDBFAWQH-IBGZPJMESA-N 0 3 468.668 1.604 20 0 JDADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)COCCO2)CC1 ZINC001509428948 1073604279 /nfs/dbraw/zinc/60/42/79/1073604279.db2.gz AKEJDZFTSNQSHT-QFIPXVFZSA-N 0 3 462.620 1.853 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N2CCOCC2)CC1 ZINC001509431004 1073606619 /nfs/dbraw/zinc/60/66/19/1073606619.db2.gz HSGXSPSTERQEER-TZIWHRDSSA-N 0 3 462.639 1.834 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2F)CC1 ZINC001509431885 1073609752 /nfs/dbraw/zinc/60/97/52/1073609752.db2.gz SLPMUYAXSXSDLX-FQEVSTJZSA-N 0 3 498.600 1.716 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN2CCCC2)CC1=O ZINC001509433277 1073613085 /nfs/dbraw/zinc/61/30/85/1073613085.db2.gz WKPLWRWPDFAORH-IBGZPJMESA-N 0 3 480.679 1.607 20 0 JDADHN CC(C)CN1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC001509433520 1073615202 /nfs/dbraw/zinc/61/52/02/1073615202.db2.gz JMLRJOYDLAPWQJ-JOCHJYFZSA-N 0 3 475.682 1.893 20 0 JDADHN CC(C)CO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001509468270 1073640063 /nfs/dbraw/zinc/64/00/63/1073640063.db2.gz IZDQOSQCAJJSFJ-HBMCJLEFSA-N 0 3 462.639 1.976 20 0 JDADHN CC(C)COCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001509477945 1073644790 /nfs/dbraw/zinc/64/47/90/1073644790.db2.gz RHJAXTUQKQVCSG-NRFANRHFSA-N 0 3 462.639 1.979 20 0 JDADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001509520001 1073664379 /nfs/dbraw/zinc/66/43/79/1073664379.db2.gz YZRNNISGPCGWNN-KRWDZBQOSA-N 0 3 462.576 1.330 20 0 JDADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)C(C)C ZINC001509546474 1073672983 /nfs/dbraw/zinc/67/29/83/1073672983.db2.gz KBHUGUYKSXLPLB-IEBWSBKVSA-N 0 3 481.667 1.339 20 0 JDADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C ZINC001509547773 1073673720 /nfs/dbraw/zinc/67/37/20/1073673720.db2.gz PRWMBWCTRBDXFL-KSZLIROESA-N 0 3 468.624 1.234 20 0 JDADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1)C(C)C ZINC001509550575 1073676085 /nfs/dbraw/zinc/67/60/85/1073676085.db2.gz YKAMMDOYNFAERZ-QUCCMNQESA-N 0 3 479.651 1.610 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001509557962 1073680868 /nfs/dbraw/zinc/68/08/68/1073680868.db2.gz SYMRBOVLIQSTET-ZWKOTPCHSA-N 0 3 452.625 1.258 20 0 JDADHN CC(C)N1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001509557949 1073680927 /nfs/dbraw/zinc/68/09/27/1073680927.db2.gz SYMRBOVLIQSTET-MSOLQXFVSA-N 0 3 452.625 1.258 20 0 JDADHN CC(C)N1CCC[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001509559032 1073681962 /nfs/dbraw/zinc/68/19/62/1073681962.db2.gz BXDXPTWVUUCRAB-MRXNPFEDSA-N 0 3 466.608 1.607 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001509559030 1073682126 /nfs/dbraw/zinc/68/21/26/1073682126.db2.gz BXDXPTWVUUCRAB-INIZCTEOSA-N 0 3 466.608 1.607 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001509562378 1073683630 /nfs/dbraw/zinc/68/36/30/1073683630.db2.gz NBLZWRGDOLNNHL-XGHQBKJUSA-N 0 3 452.625 1.002 20 0 JDADHN CC(C)N1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCN2CCOCC2)C1 ZINC001509562789 1073683738 /nfs/dbraw/zinc/68/37/38/1073683738.db2.gz NKAOYJVQYANCMH-WOJBJXKFSA-N 0 3 468.668 1.069 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CCOc4ccccc4)n3CCC(=O)N(C)C)C2)CC1 ZINC001509580042 1073701612 /nfs/dbraw/zinc/70/16/12/1073701612.db2.gz NLSDGAAWBBDPSB-JOCHJYFZSA-N 0 3 483.661 1.983 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCOCCCO)C2)CC1 ZINC001509581492 1073703677 /nfs/dbraw/zinc/70/36/77/1073703677.db2.gz LHXQZWMUJAKMDY-HXUWFJFHSA-N 0 3 478.041 1.997 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCN1CCCCC1 ZINC001509583243 1073710197 /nfs/dbraw/zinc/71/01/97/1073710197.db2.gz AZRCFVIPWBWJEA-LJQANCHMSA-N 0 3 455.611 1.797 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO ZINC001509601837 1073725580 /nfs/dbraw/zinc/72/55/80/1073725580.db2.gz DKKXIXDICOMHHN-RTBURBONSA-N 0 3 472.590 1.539 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO ZINC001509601834 1073725669 /nfs/dbraw/zinc/72/56/69/1073725669.db2.gz DKKXIXDICOMHHN-MOPGFXCFSA-N 0 3 472.590 1.539 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@]1(N(C)C)CCSC1 ZINC001509601493 1073725679 /nfs/dbraw/zinc/72/56/79/1073725679.db2.gz IJOUPZOLGRRBOU-IBGZPJMESA-N 0 3 471.582 1.347 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001509609672 1073733259 /nfs/dbraw/zinc/73/32/59/1073733259.db2.gz APTJXBRUHJWKGF-QUCCMNQESA-N 0 3 453.591 1.920 20 0 JDADHN CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001509610447 1073734234 /nfs/dbraw/zinc/73/42/34/1073734234.db2.gz ARMFVLJSJVRUIJ-BULFRSBZSA-N 0 3 466.652 1.628 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCCN1CCc2ccccc2C1 ZINC001509610151 1073734294 /nfs/dbraw/zinc/73/42/94/1073734294.db2.gz DLSHKLHWRYTEOY-GOSISDBHSA-N 0 3 453.591 1.532 20 0 JDADHN CCCN(CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001500778570 1069309787 /nfs/dbraw/zinc/30/97/87/1069309787.db2.gz QPIIHQUVVOQBOL-UHFFFAOYSA-N 0 3 474.631 1.892 20 0 JDADHN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4NCCO[C@H]4C3)c2c1C ZINC001164391008 718824449 /nfs/dbraw/zinc/82/44/49/718824449.db2.gz SFKGJMAGKORXFK-CVEARBPZSA-N 0 3 461.588 1.576 20 0 JDADHN C[C@H]1CN(c2nc3cc(CN4CCN(C)CC4)sc3c(N3CCOCC3)n2)[C@@H](C)CN1C ZINC001164633162 719228671 /nfs/dbraw/zinc/22/86/71/719228671.db2.gz DGXKKIGNZMZRKB-ROUUACIJSA-N 0 3 459.664 1.804 20 0 JDADHN CNC(=O)CN1CCCC12CCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)CC2 ZINC001164686582 719735270 /nfs/dbraw/zinc/73/52/70/719735270.db2.gz PRGKJFPUVRKAPO-UHFFFAOYSA-N 0 3 459.572 1.853 20 0 JDADHN CNC(=O)CN1CCCC12CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)CC2 ZINC001164690250 719736120 /nfs/dbraw/zinc/73/61/20/719736120.db2.gz WURBQNGOEAUPCI-UHFFFAOYSA-N 0 3 468.583 1.849 20 0 JDADHN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(c3ncccc3CN3CCCC3)CC[C@@H]12 ZINC001164694098 719834057 /nfs/dbraw/zinc/83/40/57/719834057.db2.gz DSIHGYJLLPOEHK-QPPBQGQZSA-N 0 3 491.658 1.157 20 0 JDADHN O=C(NC[C@H]1CC[C@]2(COCCN(c3ncccc3CN3CCCC3)C2)O1)c1cnccn1 ZINC001164817272 720275888 /nfs/dbraw/zinc/27/58/88/720275888.db2.gz BXSDZVUTWHJEBH-YKSBVNFPSA-N 0 3 452.559 1.652 20 0 JDADHN Cc1nc(CN2CCN(C)C3(CCN(c4cccc(N5CCN(C)CC5)n4)CC3)C2=O)cs1 ZINC001164819740 720374201 /nfs/dbraw/zinc/37/42/01/720374201.db2.gz HVWXJWWIIWSQNX-UHFFFAOYSA-N 0 3 469.659 1.912 20 0 JDADHN CCOC(=O)c1c[nH]c2ncnc(N3Cc4ncn(C)c4[C@@H](COCCN4CCOCC4)C3)c12 ZINC001164823382 720438885 /nfs/dbraw/zinc/43/88/85/720438885.db2.gz ISJRQZMQPSJTOJ-MRXNPFEDSA-N 0 3 469.546 1.321 20 0 JDADHN Cc1cc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164738561 720723667 /nfs/dbraw/zinc/72/36/67/720723667.db2.gz GAUXYXGSSLBQNI-SJORKVTESA-N 0 3 453.572 1.968 20 0 JDADHN CCOC(=O)C1CCN(c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)CC1 ZINC001164747101 720728009 /nfs/dbraw/zinc/72/80/09/720728009.db2.gz ZXFZTDAFQIKRGT-OALUTQOASA-N 0 3 453.547 1.388 20 0 JDADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164742905 720751543 /nfs/dbraw/zinc/75/15/43/720751543.db2.gz PGXOJANCEOARNL-RTBURBONSA-N 0 3 477.550 1.800 20 0 JDADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164742903 720752473 /nfs/dbraw/zinc/75/24/73/720752473.db2.gz PGXOJANCEOARNL-OALUTQOASA-N 0 3 477.550 1.800 20 0 JDADHN c1ccc(N2CCN(c3ccc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)nn3)CC2)cc1 ZINC001164739015 720764625 /nfs/dbraw/zinc/76/46/25/720764625.db2.gz HNEHWQSVADIQNA-FGZHOGPDSA-N 0 3 458.570 1.935 20 0 JDADHN CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)n1 ZINC001164746681 720808521 /nfs/dbraw/zinc/80/85/21/720808521.db2.gz MOMRZUMIFIWJFC-ARFHVFGLSA-N 0 3 451.984 1.504 20 0 JDADHN CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)n1 ZINC001164746682 720808669 /nfs/dbraw/zinc/80/86/69/720808669.db2.gz MOMRZUMIFIWJFC-BZUAXINKSA-N 0 3 451.984 1.504 20 0 JDADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(c2ncccc2CN2CCCC2)CC3)C1=O ZINC001164753737 720942565 /nfs/dbraw/zinc/94/25/65/720942565.db2.gz SKCCSBZVUFBADF-QHCPKHFHSA-N 0 3 461.632 1.388 20 0 JDADHN c1nc2c(nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2N2CCOCC2)s1 ZINC001164869525 721068129 /nfs/dbraw/zinc/06/81/29/721068129.db2.gz UCSFMGBAZDCYJI-ZWKOTPCHSA-N 0 3 453.572 1.798 20 0 JDADHN COC(=O)C1CCN(c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164867185 721115522 /nfs/dbraw/zinc/11/55/22/721115522.db2.gz WQGUAIAVXFEQMD-SFTDATJTSA-N 0 3 452.559 1.741 20 0 JDADHN COC(=O)C1CCN(c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164867183 721116603 /nfs/dbraw/zinc/11/66/03/721116603.db2.gz WQGUAIAVXFEQMD-RTWAWAEBSA-N 0 3 452.559 1.741 20 0 JDADHN CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164862787 721118575 /nfs/dbraw/zinc/11/85/75/721118575.db2.gz AJAYTXUUXLQGEE-PMACEKPBSA-N 0 3 468.558 1.365 20 0 JDADHN c1cncc(CO[C@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)c1 ZINC001164872083 721139022 /nfs/dbraw/zinc/13/90/22/721139022.db2.gz GKFAPKIOXXIAMH-SFTDATJTSA-N 0 3 450.591 1.947 20 0 JDADHN CC1(C)NC(=O)N(Cc2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)C1=O ZINC001164881050 721155063 /nfs/dbraw/zinc/15/50/63/721155063.db2.gz YVXIRLJKNGZHPO-PMACEKPBSA-N 0 3 450.543 1.787 20 0 JDADHN CC1(C)NC(=O)N(Cc2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2)C1=O ZINC001164881054 721155156 /nfs/dbraw/zinc/15/51/56/721155156.db2.gz YVXIRLJKNGZHPO-UXHICEINSA-N 0 3 450.543 1.787 20 0 JDADHN CCOC(=O)C1CCN(c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)CC1 ZINC001164772809 721162528 /nfs/dbraw/zinc/16/25/28/721162528.db2.gz XAUHXYGMCCCBGS-SFTDATJTSA-N 0 3 453.591 1.948 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/nfs/dbraw/zinc/79/12/72/1069791272.db2.gz QIQCBLOVXHQIDP-VAMGGRTRSA-N 0 3 480.679 1.607 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)CC)CC1 ZINC001501907634 1069795116 /nfs/dbraw/zinc/79/51/16/1069795116.db2.gz YGGZZHWJPPCBJG-PXDATVDWSA-N 0 3 486.617 1.942 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC1 ZINC001501907097 1069792456 /nfs/dbraw/zinc/79/24/56/1069792456.db2.gz RVPMWIGECUKOSP-GOSISDBHSA-N 0 3 494.687 1.589 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001501909682 1069798812 /nfs/dbraw/zinc/79/88/12/1069798812.db2.gz FSDNLHFEOOIUCR-RTWAWAEBSA-N 0 3 489.665 1.596 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnccc2OC)CC1 ZINC001501909892 1069800037 /nfs/dbraw/zinc/80/00/37/1069800037.db2.gz JGGCRVFQUDIJBD-UHFFFAOYSA-N 0 3 495.632 1.582 20 0 JDADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cn[nH]c2)CC1 ZINC001501909843 1069800049 /nfs/dbraw/zinc/80/00/49/1069800049.db2.gz 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JDADHN Cc1cccc(N2CCN(CCCCNC(=O)NCCS(=O)(=O)N3CCCC3)CC2)c1 ZINC001477275507 1069810286 /nfs/dbraw/zinc/81/02/86/1069810286.db2.gz VFEQZEUQJYRRBD-UHFFFAOYSA-N 0 3 451.637 1.622 20 0 JDADHN Cc1cccc([C@@H](CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)N2CCOCC2)c1 ZINC001477285094 1069810600 /nfs/dbraw/zinc/81/06/00/1069810600.db2.gz GAROJRUBDXHBHH-JOCHJYFZSA-N 0 3 457.619 1.884 20 0 JDADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC001477300987 1069811537 /nfs/dbraw/zinc/81/15/37/1069811537.db2.gz HROAZAPICUJCSK-LEWJYISDSA-N 0 3 452.621 1.906 20 0 JDADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001501982378 1069811628 /nfs/dbraw/zinc/81/16/28/1069811628.db2.gz KAJURVNPSBMISH-IEBWSBKVSA-N 0 3 476.651 1.336 20 0 JDADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001501982612 1069811707 /nfs/dbraw/zinc/81/17/07/1069811707.db2.gz NVSLPZMMQMOMOS-APWZRJJASA-N 0 3 454.641 1.263 20 0 JDADHN 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/nfs/dbraw/zinc/23/03/04/1070230304.db2.gz ABFZRGJXYRTBQK-KRWDZBQOSA-N 0 3 454.579 1.463 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502342872 1070232074 /nfs/dbraw/zinc/23/20/74/1070232074.db2.gz FXIPNTFAVIXZNX-YLJYHZDGSA-N 0 3 457.627 1.181 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502342871 1070232756 /nfs/dbraw/zinc/23/27/56/1070232756.db2.gz FXIPNTFAVIXZNX-XLIONFOSSA-N 0 3 457.627 1.181 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502343328 1070237096 /nfs/dbraw/zinc/23/70/96/1070237096.db2.gz NGDNJUUKQVCEGS-UXHICEINSA-N 0 3 454.623 1.204 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502343307 1070237500 /nfs/dbraw/zinc/23/75/00/1070237500.db2.gz MYWPPNAMNODZGN-CTNGQTDRSA-N 0 3 482.695 1.807 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502343421 1070238713 /nfs/dbraw/zinc/23/87/13/1070238713.db2.gz OQXCWQIKRMYOGL-IFMALSPDSA-N 0 3 461.655 1.852 20 0 JDADHN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001493181664 1070239473 /nfs/dbraw/zinc/23/94/73/1070239473.db2.gz YZBVNQDIMGCYAV-CEXWTWQISA-N 0 3 461.611 1.129 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502343401 1070240126 /nfs/dbraw/zinc/24/01/26/1070240126.db2.gz OLMMKWPHMOZUQT-CTNGQTDRSA-N 0 3 463.671 1.482 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(N3CCNC3=O)CC2)CC1 ZINC001502343560 1070241941 /nfs/dbraw/zinc/24/19/41/1070241941.db2.gz QGGGERXNCIJNCI-HXUWFJFHSA-N 0 3 460.671 1.744 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502343494 1070242245 /nfs/dbraw/zinc/24/22/45/1070242245.db2.gz PLNRDCBCBXKTIN-WOJBJXKFSA-N 0 3 471.625 1.949 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502343878 1070245944 /nfs/dbraw/zinc/24/59/44/1070245944.db2.gz WBYJVDOQZZBPRQ-FGZHOGPDSA-N 0 3 475.682 1.750 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502343838 1070246808 /nfs/dbraw/zinc/24/68/08/1070246808.db2.gz VOJNOCHDYBGBST-FQRUVTKNSA-N 0 3 483.661 1.853 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502345383 1070248182 /nfs/dbraw/zinc/24/81/82/1070248182.db2.gz AOPDGCYJHVXMJH-IBGZPJMESA-N 0 3 473.597 1.548 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502343786 1070244438 /nfs/dbraw/zinc/24/44/38/1070244438.db2.gz UTXSXCDPTSKMRW-SFTDATJTSA-N 0 3 490.697 1.686 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502343854 1070245684 /nfs/dbraw/zinc/24/56/84/1070245684.db2.gz VUFHXEJOSLPEJY-UYAOXDASSA-N 0 3 457.598 1.593 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502345447 1070249952 /nfs/dbraw/zinc/24/99/52/1070249952.db2.gz BSEQJGCZJXXEJD-STWLZBDKSA-N 0 3 491.681 1.294 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001502345571 1070250348 /nfs/dbraw/zinc/25/03/48/1070250348.db2.gz CLBKNDOHTIOPOD-NQIIRXRSSA-N 0 3 472.638 1.413 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502345651 1070252782 /nfs/dbraw/zinc/25/27/82/1070252782.db2.gz FFKICJLPTDHTHG-SFHVURJKSA-N 0 3 450.678 1.773 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(N3CC[C@@](C)(C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502346207 1070255076 /nfs/dbraw/zinc/25/50/76/1070255076.db2.gz JTDYLNYKJAGMAD-AMDXRBSFSA-N 0 3 491.681 1.294 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001502346448 1070256093 /nfs/dbraw/zinc/25/60/93/1070256093.db2.gz LNQLOVHWSFENGF-ANULTFPQSA-N 0 3 450.628 1.501 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502346422 1070256501 /nfs/dbraw/zinc/25/65/01/1070256501.db2.gz LLJCLRCDQGUZCA-NRFANRHFSA-N 0 3 468.650 1.596 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001502346450 1070256939 /nfs/dbraw/zinc/25/69/39/1070256939.db2.gz LNQLOVHWSFENGF-BURNTYAHSA-N 0 3 450.628 1.501 20 0 JDADHN O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001546232933 1070259145 /nfs/dbraw/zinc/25/91/45/1070259145.db2.gz CQWLRWDQDQJVCA-FQEVSTJZSA-N 0 3 455.571 1.865 20 0 JDADHN O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001546232934 1070259234 /nfs/dbraw/zinc/25/92/34/1070259234.db2.gz CQWLRWDQDQJVCA-HXUWFJFHSA-N 0 3 455.571 1.865 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502346938 1070259795 /nfs/dbraw/zinc/25/97/95/1070259795.db2.gz QQHIDJJHKXFGED-NRFANRHFSA-N 0 3 469.634 1.765 20 0 JDADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001493212079 1070259791 /nfs/dbraw/zinc/25/97/91/1070259791.db2.gz FIJJCZOJLKJIOT-LMMKCTJWSA-N 0 3 480.679 1.638 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2c(C)noc2C)CC1 ZINC001502347058 1070260040 /nfs/dbraw/zinc/26/00/40/1070260040.db2.gz TUJOPTLRWKBALM-GOSISDBHSA-N 0 3 472.638 1.915 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502347282 1070263004 /nfs/dbraw/zinc/26/30/04/1070263004.db2.gz XJGQLFJCRLLKED-ZCNNSNEGSA-N 0 3 489.690 1.750 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001502347002 1070260991 /nfs/dbraw/zinc/26/09/91/1070260991.db2.gz RNTRGIFSQVWLNO-VQTJNVASSA-N 0 3 461.655 1.535 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001502347001 1070261488 /nfs/dbraw/zinc/26/14/88/1070261488.db2.gz RNTRGIFSQVWLNO-UXHICEINSA-N 0 3 461.655 1.535 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502347205 1070262842 /nfs/dbraw/zinc/26/28/42/1070262842.db2.gz WEEDKBAVAJYTCM-DVECYGJZSA-N 0 3 454.623 1.239 20 0 JDADHN CCN1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001502351396 1070272171 /nfs/dbraw/zinc/27/21/71/1070272171.db2.gz UYUGCCGQAYONCF-XUVXKRRUSA-N 0 3 484.736 1.928 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](OCC(C)C)C2)CC1 ZINC001502352448 1070273955 /nfs/dbraw/zinc/27/39/55/1070273955.db2.gz CDAYSZXUWRKNQO-NRFANRHFSA-N 0 3 461.655 1.793 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001502352617 1070274324 /nfs/dbraw/zinc/27/43/24/1070274324.db2.gz IYITZRKIEMOXQY-DEOSSOPVSA-N 0 3 477.654 1.218 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502352593 1070274530 /nfs/dbraw/zinc/27/45/30/1070274530.db2.gz IKNPHYICSYDAIL-UHFFFAOYSA-N 0 3 483.621 1.058 20 0 JDADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001493268814 1070275169 /nfs/dbraw/zinc/27/51/69/1070275169.db2.gz ZQJMJEFWHGAUJM-QZTJIDSGSA-N 0 3 475.619 1.528 20 0 JDADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001493293117 1070280690 /nfs/dbraw/zinc/28/06/90/1070280690.db2.gz RTYJCCRSXWWFLG-CEXWTWQISA-N 0 3 484.667 1.395 20 0 JDADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2C2CCC2)CC1 ZINC001502354775 1070283346 /nfs/dbraw/zinc/28/33/46/1070283346.db2.gz NKDUZEJVOULLDR-QUCCMNQESA-N 0 3 467.684 1.685 20 0 JDADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001502355009 1070283451 /nfs/dbraw/zinc/28/34/51/1070283451.db2.gz RGQFQTQYYJQGAL-PMACEKPBSA-N 0 3 469.700 1.788 20 0 JDADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001502354811 1070284816 /nfs/dbraw/zinc/28/48/16/1070284816.db2.gz OBZMDXNIFVYIMW-UXHICEINSA-N 0 3 499.726 1.700 20 0 JDADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001502355163 1070286450 /nfs/dbraw/zinc/28/64/50/1070286450.db2.gz UAJRGPIUVFQAHR-CEXWTWQISA-N 0 3 455.673 1.398 20 0 JDADHN CCN1CCN(CCCn2c(C3CCC3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502356572 1070292201 /nfs/dbraw/zinc/29/22/01/1070292201.db2.gz POAMQTIZNBSXDH-HXUWFJFHSA-N 0 3 481.711 1.681 20 0 JDADHN CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001502357943 1070293202 /nfs/dbraw/zinc/29/32/02/1070293202.db2.gz GRGKIGGIDAUILA-UNMCSNQZSA-N 0 3 457.623 1.532 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001502358857 1070297603 /nfs/dbraw/zinc/29/76/03/1070297603.db2.gz RISGOZYREVDGSI-OALUTQOASA-N 0 3 470.709 1.540 20 0 JDADHN CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502358246 1070294799 /nfs/dbraw/zinc/29/47/99/1070294799.db2.gz JFUVZZJEUQGKNM-OAQYLSRUSA-N 0 3 475.663 1.305 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001502358812 1070297669 /nfs/dbraw/zinc/29/76/69/1070297669.db2.gz QTUSECPRLJVAIB-FQEVSTJZSA-N 0 3 482.695 1.603 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001502358898 1070297813 /nfs/dbraw/zinc/29/78/13/1070297813.db2.gz RTAMFRBSOLTDMV-FGZHOGPDSA-N 0 3 475.682 1.798 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2c(C)noc2C)CC1 ZINC001502358747 1070296902 /nfs/dbraw/zinc/29/69/02/1070296902.db2.gz PTFSWEIWUBDSRY-LJQANCHMSA-N 0 3 479.651 1.449 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2c(C)noc2C)CC1 ZINC001502358743 1070297103 /nfs/dbraw/zinc/29/71/03/1070297103.db2.gz PTFSWEIWUBDSRY-IBGZPJMESA-N 0 3 479.651 1.449 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCOCC2)CC1 ZINC001502358983 1070297161 /nfs/dbraw/zinc/29/71/61/1070297161.db2.gz SNJQBUFBHSQCGF-FQEVSTJZSA-N 0 3 468.668 1.071 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001502358853 1070298090 /nfs/dbraw/zinc/29/80/90/1070298090.db2.gz RISGOZYREVDGSI-MOPGFXCFSA-N 0 3 470.709 1.540 20 0 JDADHN CCN1CCN(CCCn2c(Cc3ccccc3OC)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502358742 1070298144 /nfs/dbraw/zinc/29/81/44/1070298144.db2.gz PTBPSDIWVPAWHD-SANMLTNESA-N 0 3 483.661 1.868 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001502359129 1070299665 /nfs/dbraw/zinc/29/96/65/1070299665.db2.gz WSZPXFVGGUCZJS-LEWJYISDSA-N 0 3 497.710 1.121 20 0 JDADHN CCN1CCN(CCCn2c(N3CC[C@@](C)(C(=O)NC)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502359964 1070301641 /nfs/dbraw/zinc/30/16/41/1070301641.db2.gz HEUDIHHNYVZNFM-JWQCQUIFSA-N 0 3 491.681 1.309 20 0 JDADHN CCN1CCN(CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502360765 1070302689 /nfs/dbraw/zinc/30/26/89/1070302689.db2.gz RBVGWNFKPLHQCF-WOZUAGRISA-N 0 3 450.628 1.643 20 0 JDADHN CCN1CCN(CCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502361030 1070303419 /nfs/dbraw/zinc/30/34/19/1070303419.db2.gz YDAACOQCYLZWNW-UHFFFAOYSA-N 0 3 469.634 1.780 20 0 JDADHN CCN1CCN(CCCn2c(N3CCC(C(=O)NCCOC)CC3)nnc2C(C)(C)C)CC1 ZINC001502360873 1070303951 /nfs/dbraw/zinc/30/39/51/1070303951.db2.gz SMOORCWAZBEDCU-UHFFFAOYSA-N 0 3 463.671 1.582 20 0 JDADHN CC1CCC(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)CC1 ZINC001493479661 1070305506 /nfs/dbraw/zinc/30/55/06/1070305506.db2.gz HGOLTZOHWXLVFQ-UYSNPLJNSA-N 0 3 453.538 1.311 20 0 JDADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CC(=O)NCC1CC1 ZINC001493480630 1070306263 /nfs/dbraw/zinc/30/62/63/1070306263.db2.gz OTZQSVLIQLJSEP-HFCFLWKCSA-N 0 3 481.667 1.115 20 0 JDADHN C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001493505936 1070309465 /nfs/dbraw/zinc/30/94/65/1070309465.db2.gz CJNCQODUJGQXKM-YLAKUSLOSA-N 0 3 490.696 1.022 20 0 JDADHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001493511023 1070310517 /nfs/dbraw/zinc/31/05/17/1070310517.db2.gz SDUNFWFRYJWPDR-VWXURSGXSA-N 0 3 452.625 1.363 20 0 JDADHN C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](CC(N)=O)C2)(N(C)C)C1 ZINC001493514268 1070310796 /nfs/dbraw/zinc/31/07/96/1070310796.db2.gz YIGQOXXEYCEHTO-XQQXVUDOSA-N 0 3 480.679 1.783 20 0 JDADHN C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](CC(N)=O)C2)(N(C)C)C1 ZINC001493514252 1070310847 /nfs/dbraw/zinc/31/08/47/1070310847.db2.gz YIGQOXXEYCEHTO-GBPOLFSSSA-N 0 3 480.679 1.783 20 0 JDADHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)(N(C)C)C1 ZINC001493512056 1070311007 /nfs/dbraw/zinc/31/10/07/1070311007.db2.gz UTHLYYJLCMHEKX-FOUBCARRSA-N 0 3 466.652 1.392 20 0 JDADHN C[C@H]1CCC[C@@](Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)(=O)CC2)(N(C)C)C1 ZINC001493522276 1070311358 /nfs/dbraw/zinc/31/13/58/1070311358.db2.gz ROVSOVXOPFLAGU-LAUBAEHRSA-N 0 3 452.625 1.146 20 0 JDADHN CCn1nc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001502366312 1070312133 /nfs/dbraw/zinc/31/21/33/1070312133.db2.gz CZWFNPPDQRJKRD-UHFFFAOYSA-N 0 3 480.617 1.978 20 0 JDADHN C[C@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001493630083 1070321318 /nfs/dbraw/zinc/32/13/18/1070321318.db2.gz BQWADJCGATXDBV-OALUTQOASA-N 0 3 452.669 1.833 20 0 JDADHN C[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001493638721 1070322786 /nfs/dbraw/zinc/32/27/86/1070322786.db2.gz LQOOACHOHIGJKX-VQTJNVASSA-N 0 3 459.639 1.970 20 0 JDADHN CCNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001502378081 1070323067 /nfs/dbraw/zinc/32/30/67/1070323067.db2.gz RLPAVZKCZDRBJG-UHFFFAOYSA-N 0 3 468.606 1.247 20 0 JDADHN C[C@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001493661183 1070326884 /nfs/dbraw/zinc/32/68/84/1070326884.db2.gz HUBUIAPEXOCXOP-HKUYNNGSSA-N 0 3 474.631 1.925 20 0 JDADHN CCNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001502386446 1070331359 /nfs/dbraw/zinc/33/13/59/1070331359.db2.gz VCAMOPKQLYKVST-UHFFFAOYSA-N 0 3 482.633 1.171 20 0 JDADHN CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001502389428 1070332684 /nfs/dbraw/zinc/33/26/84/1070332684.db2.gz DLSLAOGBFZMJGE-GOSISDBHSA-N 0 3 475.638 1.252 20 0 JDADHN CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)CCC1 ZINC001502395602 1070340140 /nfs/dbraw/zinc/34/01/40/1070340140.db2.gz FDERJWSTUCRQBI-GOSISDBHSA-N 0 3 495.694 1.649 20 0 JDADHN C[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC1 ZINC001493763532 1070343262 /nfs/dbraw/zinc/34/32/62/1070343262.db2.gz PPJHKSYJZMNEJO-RBUKOAKNSA-N 0 3 454.641 1.723 20 0 JDADHN C[C@@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001493840336 1070357405 /nfs/dbraw/zinc/35/74/05/1070357405.db2.gz BSQYMBNGTIAUNP-HZPDHXFCSA-N 0 3 494.522 1.915 20 0 JDADHN C[C@@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001493844440 1070358468 /nfs/dbraw/zinc/35/84/68/1070358468.db2.gz TWAXXHGSZMXNLV-QGZVFWFLSA-N 0 3 490.634 1.270 20 0 JDADHN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C)N1CCC(C)CC1 ZINC001493866056 1070365715 /nfs/dbraw/zinc/36/57/15/1070365715.db2.gz WQVIZALBDVPUMN-MSOLQXFVSA-N 0 3 454.579 1.713 20 0 JDADHN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C)N1CCC(C)CC1 ZINC001493866062 1070365937 /nfs/dbraw/zinc/36/59/37/1070365937.db2.gz WQVIZALBDVPUMN-QZTJIDSGSA-N 0 3 454.579 1.713 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CC=CCC2)CC1 ZINC001502427135 1070376852 /nfs/dbraw/zinc/37/68/52/1070376852.db2.gz ZHKHLZLGTQKMMK-UHFFFAOYSA-N 0 3 483.617 1.482 20 0 JDADHN CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001494052428 1070381525 /nfs/dbraw/zinc/38/15/25/1070381525.db2.gz WRCZTPZQRGMJEM-OALUTQOASA-N 0 3 487.692 1.316 20 0 JDADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001494052427 1070382058 /nfs/dbraw/zinc/38/20/58/1070382058.db2.gz WRCZTPZQRGMJEM-MOPGFXCFSA-N 0 3 487.692 1.316 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001502429847 1070383239 /nfs/dbraw/zinc/38/32/39/1070383239.db2.gz IZPLYHIWSJZFAP-UNMCSNQZSA-N 0 3 485.633 1.352 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCN1CCC(C)CC1 ZINC001494069130 1070383891 /nfs/dbraw/zinc/38/38/91/1070383891.db2.gz WTZFPRVNODMLKA-LJQANCHMSA-N 0 3 481.667 1.153 20 0 JDADHN C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CC1)N(C)C ZINC001494106986 1070397619 /nfs/dbraw/zinc/39/76/19/1070397619.db2.gz KVNZZJKVPDXIGE-HNAYVOBHSA-N 0 3 460.604 1.356 20 0 JDADHN C[C@H]1CN(C)C(=O)CN1c1nnc(CC2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001494130751 1070421278 /nfs/dbraw/zinc/42/12/78/1070421278.db2.gz WAXIFZOHEDVQCH-AZUAARDMSA-N 0 3 459.639 1.620 20 0 JDADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001494150382 1070445643 /nfs/dbraw/zinc/44/56/43/1070445643.db2.gz KADNPMUYDMIDLE-RTBURBONSA-N 0 3 484.605 1.483 20 0 JDADHN C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC001494169276 1070453763 /nfs/dbraw/zinc/45/37/63/1070453763.db2.gz OYZZIFSESGEDRN-KHCICDEESA-N 0 3 462.639 1.903 20 0 JDADHN CCNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1 ZINC001502454445 1070459150 /nfs/dbraw/zinc/45/91/50/1070459150.db2.gz JILIUPOZPBAJNC-MOPGFXCFSA-N 0 3 481.667 1.154 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001502456501 1070464106 /nfs/dbraw/zinc/46/41/06/1070464106.db2.gz CSKARNGHGKEIGL-HXUWFJFHSA-N 0 3 486.640 1.886 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001502456880 1070467975 /nfs/dbraw/zinc/46/79/75/1070467975.db2.gz KZZVAVKKYCIJFI-NRFANRHFSA-N 0 3 497.648 1.058 20 0 JDADHN CCNC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)CC1 ZINC001502459374 1070475163 /nfs/dbraw/zinc/47/51/63/1070475163.db2.gz YLAUAJARJQPMLX-UHFFFAOYSA-N 0 3 472.619 1.383 20 0 JDADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2N(C)CCCC2(C)C)C1 ZINC001502463048 1070486129 /nfs/dbraw/zinc/48/61/29/1070486129.db2.gz DNSXTPDYWGJEPU-IAGOWNOFSA-N 0 3 469.656 1.055 20 0 JDADHN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2N(C)CCCC2(C)C)C1 ZINC001502463050 1070485361 /nfs/dbraw/zinc/48/53/61/1070485361.db2.gz DNSXTPDYWGJEPU-IRXDYDNUSA-N 0 3 469.656 1.055 20 0 JDADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)C1 ZINC001502466557 1070512684 /nfs/dbraw/zinc/51/26/84/1070512684.db2.gz SOHMTWYJUUYNNG-RBUKOAKNSA-N 0 3 455.673 1.193 20 0 JDADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001502466568 1070512845 /nfs/dbraw/zinc/51/28/45/1070512845.db2.gz SRHDWCCETKYKEG-ZWKOTPCHSA-N 0 3 455.673 1.336 20 0 JDADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001502475398 1070552544 /nfs/dbraw/zinc/55/25/44/1070552544.db2.gz XRPOBIPQSDRHGE-CEXWTWQISA-N 0 3 493.609 1.189 20 0 JDADHN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)Cc2ccccc2)C[C@H]1C ZINC001494362445 1070568232 /nfs/dbraw/zinc/56/82/32/1070568232.db2.gz GSHCXWBBUICZFN-SBHAEUEKSA-N 0 3 476.647 1.835 20 0 JDADHN 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CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCC2)C1 ZINC001502531506 1070653558 /nfs/dbraw/zinc/65/35/58/1070653558.db2.gz XBZMRYWMSMSQPN-GUDVDZBRSA-N 0 3 482.651 1.627 20 0 JDADHN CCO[C@@H](CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC001502589931 1070676562 /nfs/dbraw/zinc/67/65/62/1070676562.db2.gz AKGVKRGZXHTOEB-NRFANRHFSA-N 0 3 470.622 1.931 20 0 JDADHN CCO[C@]1(c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)CCOC1 ZINC001502622450 1070701894 /nfs/dbraw/zinc/70/18/94/1070701894.db2.gz QKWHOMOACMNQLZ-NNMXDRDESA-N 0 3 469.652 1.676 20 0 JDADHN CCO[C@]1(c2nnc(N(C)[C@H]3CCSC3)n2CCCN2CCN(CC)CC2)CCOC1 ZINC001502624771 1070707010 /nfs/dbraw/zinc/70/70/10/1070707010.db2.gz IUVPHMOBAWKHLP-SIKLNZKXSA-N 0 3 452.669 1.900 20 0 JDADHN CCO[C@@]1(c2nnc(N(C)C[C@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001502649596 1070723138 /nfs/dbraw/zinc/72/31/38/1070723138.db2.gz OMOHGBMHOGMYJL-YKSBVNFPSA-N 0 3 464.655 1.962 20 0 JDADHN 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CCO[C@]1(c2nnc(N3CCO[C@@](C)(CC)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001502731966 1070842093 /nfs/dbraw/zinc/84/20/93/1070842093.db2.gz CLHYRTOFBNNNKB-BJKOFHAPSA-N 0 3 464.655 1.962 20 0 JDADHN CCO[C@]1(c2nnc(N3CCO[C@@H](CC)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001502737517 1070846740 /nfs/dbraw/zinc/84/67/40/1070846740.db2.gz YMLVAVVDCAUPDO-WMZHIEFXSA-N 0 3 450.628 1.571 20 0 JDADHN CCO[C@@]1(c2nnc(N3CCO[C@@H](CC)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001502737516 1070846878 /nfs/dbraw/zinc/84/68/78/1070846878.db2.gz YMLVAVVDCAUPDO-CVDCTZTESA-N 0 3 450.628 1.571 20 0 JDADHN COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2C[C@@H](C)OC)c1 ZINC001504125652 1070844656 /nfs/dbraw/zinc/84/46/56/1070844656.db2.gz JEIVFYDMMDNINN-UTKZUKDTSA-N 0 3 472.590 1.740 20 0 JDADHN COc1cc(OC)cc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCN2CC=CCC2)c1 ZINC001504130607 1070848128 /nfs/dbraw/zinc/84/81/28/1070848128.db2.gz MIFCESGKPCHDIC-UHFFFAOYSA-N 0 3 483.617 1.434 20 0 JDADHN 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COc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCC(=O)N(C)C)cc1 ZINC001504197584 1070874989 /nfs/dbraw/zinc/87/49/89/1070874989.db2.gz OOPONZOKORVTBT-FQEVSTJZSA-N 0 3 469.590 1.175 20 0 JDADHN COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(=O)N2CCOCC2)cc1OC ZINC001504198235 1070876017 /nfs/dbraw/zinc/87/60/17/1070876017.db2.gz RYRYLIBDDIREDK-UHFFFAOYSA-N 0 3 472.590 1.742 20 0 JDADHN COc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCN2CCCS2(=O)=O)cc1 ZINC001504202162 1070882662 /nfs/dbraw/zinc/88/26/62/1070882662.db2.gz YIMVOWPMYBDYBQ-UHFFFAOYSA-N 0 3 462.620 1.767 20 0 JDADHN COc1ccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC(=O)N(C)C)c(OC)c1 ZINC001504202590 1070883007 /nfs/dbraw/zinc/88/30/07/1070883007.db2.gz UPURNOCZEULXJJ-KRWDZBQOSA-N 0 3 458.563 1.209 20 0 JDADHN CCOC1CC(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001502934969 1070892081 /nfs/dbraw/zinc/89/20/81/1070892081.db2.gz CAIJHKLQRCBKFJ-XVAXZDLZSA-N 0 3 498.694 1.594 20 0 JDADHN COc1ccc(CCc2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CCC(C)(C)O)cc1 ZINC001504230409 1070895432 /nfs/dbraw/zinc/89/54/32/1070895432.db2.gz DXULARXHMQEQQE-UHFFFAOYSA-N 0 3 484.645 1.977 20 0 JDADHN CCOC1CC(O)(Cn2c(N3C[C@@H](C)[C@@H](N4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)C1 ZINC001502964741 1070917879 /nfs/dbraw/zinc/91/78/79/1070917879.db2.gz OGOPGQHRDUGQNH-VHHAYMSBSA-N 0 3 476.666 1.885 20 0 JDADHN CCOCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001503027459 1070974916 /nfs/dbraw/zinc/97/49/16/1070974916.db2.gz WZIXDAUUABQAFG-FPOVZHCZSA-N 0 3 456.591 1.773 20 0 JDADHN CCOCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(O)c1 ZINC001503030097 1070980241 /nfs/dbraw/zinc/98/02/41/1070980241.db2.gz BOIYYNSLTFISAZ-XMSQKQJNSA-N 0 3 456.591 1.947 20 0 JDADHN CCOCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001503027460 1070976460 /nfs/dbraw/zinc/97/64/60/1070976460.db2.gz WZIXDAUUABQAFG-PZJWPPBQSA-N 0 3 456.591 1.773 20 0 JDADHN CCOCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(O)cc1 ZINC001503033030 1070987963 /nfs/dbraw/zinc/98/79/63/1070987963.db2.gz KQRSUXXHEYNAJG-PGRDOPGGSA-N 0 3 456.591 1.947 20 0 JDADHN CCOCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCN(C)Cc1ccccc1 ZINC001503034593 1070993429 /nfs/dbraw/zinc/99/34/29/1070993429.db2.gz SGPNAEFKBPRFJH-URXFXBBRSA-N 0 3 483.661 1.935 20 0 JDADHN CCOCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1CCN(C)Cc1ccccc1 ZINC001503034594 1070993749 /nfs/dbraw/zinc/99/37/49/1070993749.db2.gz SGPNAEFKBPRFJH-XUZZJYLKSA-N 0 3 483.661 1.935 20 0 JDADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCNS(C)(=O)=O ZINC001546288320 1071001647 /nfs/dbraw/zinc/00/16/47/1071001647.db2.gz MFDLXDDQKNLFHI-MSOLQXFVSA-N 0 3 464.636 1.888 20 0 JDADHN CCOCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001503052393 1071008430 /nfs/dbraw/zinc/00/84/30/1071008430.db2.gz QUJZVYAHIZAQFV-CYFREDJKSA-N 0 3 469.590 1.932 20 0 JDADHN CCOCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001503052394 1071008567 /nfs/dbraw/zinc/00/85/67/1071008567.db2.gz QUJZVYAHIZAQFV-DVECYGJZSA-N 0 3 469.590 1.932 20 0 JDADHN CCOCc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001503052398 1071008797 /nfs/dbraw/zinc/00/87/97/1071008797.db2.gz QUJZVYAHIZAQFV-NTKDMRAZSA-N 0 3 469.590 1.932 20 0 JDADHN CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001503056188 1071011570 /nfs/dbraw/zinc/01/15/70/1071011570.db2.gz CBRNGGNRHIKBMB-UHFFFAOYSA-N 0 3 470.618 1.966 20 0 JDADHN CCOCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC[S@@](=O)C(C)(C)C ZINC001503060205 1071015568 /nfs/dbraw/zinc/01/55/68/1071015568.db2.gz DXSZSGCNNZECJO-QPHCHLROSA-N 0 3 454.685 1.967 20 0 JDADHN CCOCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCc1cccc(C(N)=O)c1 ZINC001503062260 1071017633 /nfs/dbraw/zinc/01/76/33/1071017633.db2.gz TXBLMYCZSSYZPO-JOCHJYFZSA-N 0 3 469.634 1.761 20 0 JDADHN CCOCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503062332 1071017872 /nfs/dbraw/zinc/01/78/72/1071017872.db2.gz QXYJHGCNUXGAFN-OALUTQOASA-N 0 3 465.643 1.944 20 0 JDADHN CCOCc1nnc(N2CCC[C@@H]2c2nncn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001503089220 1071035523 /nfs/dbraw/zinc/03/55/23/1071035523.db2.gz DMFXAFGDUUNLFI-QZTJIDSGSA-N 0 3 459.599 1.227 20 0 JDADHN COc1ccc(OCc2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC(=O)N(C)C)cc1 ZINC001504311725 1071042143 /nfs/dbraw/zinc/04/21/43/1071042143.db2.gz LINCODMGQJABQN-SFHVURJKSA-N 0 3 458.563 1.112 20 0 JDADHN COc1ccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CC(=O)NC(C)C)cc1 ZINC001504309657 1071039245 /nfs/dbraw/zinc/03/92/45/1071039245.db2.gz SRBPXTZNGGBLAP-NRFANRHFSA-N 0 3 499.616 1.133 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(C)(C)c1ccccn1 ZINC001503097887 1071041740 /nfs/dbraw/zinc/04/17/40/1071041740.db2.gz IFGFYMWCOANHRN-LJQANCHMSA-N 0 3 455.607 1.930 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001503097950 1071041851 /nfs/dbraw/zinc/04/18/51/1071041851.db2.gz FQPWELPCKXADDE-FQEVSTJZSA-N 0 3 469.590 1.045 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503098661 1071043739 /nfs/dbraw/zinc/04/37/39/1071043739.db2.gz OFMDQQLETOIRKV-FQEVSTJZSA-N 0 3 485.633 1.509 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001503099120 1071044328 /nfs/dbraw/zinc/04/43/28/1071044328.db2.gz PULGEYHAVYSULT-IBGZPJMESA-N 0 3 493.653 1.814 20 0 JDADHN COc1ccc(OCc2nnc(N3CCO[C@H](CNC(C)=O)C3)n2CCN2CCCCC2)cc1 ZINC001504314728 1071045610 /nfs/dbraw/zinc/04/56/10/1071045610.db2.gz RUXFILPSZLBEFA-JOCHJYFZSA-N 0 3 472.590 1.693 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001503100165 1071049772 /nfs/dbraw/zinc/04/97/72/1071049772.db2.gz WAYRIEOFRZBSAJ-UHFFFAOYSA-N 0 3 470.618 1.835 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)OCC)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503100728 1071050770 /nfs/dbraw/zinc/05/07/70/1071050770.db2.gz JFPXOQGCFXWINI-IBGZPJMESA-N 0 3 451.616 1.367 20 0 JDADHN COc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC001504320130 1071053302 /nfs/dbraw/zinc/05/33/02/1071053302.db2.gz LEYJKNMKCRFRJT-IBGZPJMESA-N 0 3 499.616 1.013 20 0 JDADHN CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001503105026 1071056523 /nfs/dbraw/zinc/05/65/23/1071056523.db2.gz VGMDOJSGNVUARO-SFHVURJKSA-N 0 3 484.630 2.000 20 0 JDADHN COc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001504322648 1071057204 /nfs/dbraw/zinc/05/72/04/1071057204.db2.gz QBHJKONMYBSMMF-IBGZPJMESA-N 0 3 469.590 1.588 20 0 JDADHN COc1cccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)NC(C)C)N(C)C)c1 ZINC001504324021 1071058285 /nfs/dbraw/zinc/05/82/85/1071058285.db2.gz HHSGDKVGRWAIMF-HXUWFJFHSA-N 0 3 454.579 1.951 20 0 JDADHN CCOCc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503103684 1071054218 /nfs/dbraw/zinc/05/42/18/1071054218.db2.gz MBUSZSGTJIAPOS-IBGZPJMESA-N 0 3 473.597 1.833 20 0 JDADHN COc1cccc([C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)OC)N2CCCC2)c1 ZINC001504324514 1071058974 /nfs/dbraw/zinc/05/89/74/1071058974.db2.gz FFRAUGLZDGQQCD-WOJBJXKFSA-N 0 3 494.618 1.454 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1cccc(C(=O)NC)c1 ZINC001503108940 1071062143 /nfs/dbraw/zinc/06/21/43/1071062143.db2.gz DXKGERTTXYCGQB-SFHVURJKSA-N 0 3 456.591 1.912 20 0 JDADHN COc1cccc([C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCC3)C2)N(C)C)c1 ZINC001504325230 1071059855 /nfs/dbraw/zinc/05/98/55/1071059855.db2.gz PBVBRHLCGOFDEA-FXAWDEMLSA-N 0 3 492.646 1.959 20 0 JDADHN COc1cccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCC3)C2)N(C)C)c1 ZINC001504325231 1071059938 /nfs/dbraw/zinc/05/99/38/1071059938.db2.gz PBVBRHLCGOFDEA-PXNSSMCTSA-N 0 3 492.646 1.959 20 0 JDADHN COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)N(C)C)c1 ZINC001504325431 1071060617 /nfs/dbraw/zinc/06/06/17/1071060617.db2.gz NJPZZMCPUJFFNW-UYAOXDASSA-N 0 3 483.617 1.325 20 0 JDADHN COc1cccc([C@H](Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)N(C)C)c1 ZINC001504325253 1071060690 /nfs/dbraw/zinc/06/06/90/1071060690.db2.gz PJNZTOSCOJCCFX-QFIPXVFZSA-N 0 3 466.590 1.815 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001503108436 1071061493 /nfs/dbraw/zinc/06/14/93/1071061493.db2.gz HAPKPIZTXOWEGY-UHFFFAOYSA-N 0 3 469.652 1.455 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001503110644 1071065531 /nfs/dbraw/zinc/06/55/31/1071065531.db2.gz YNPREVCLLKVKSK-OAQYLSRUSA-N 0 3 450.628 1.472 20 0 JDADHN COc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCOCCCO)c1 ZINC001504340900 1071068881 /nfs/dbraw/zinc/06/88/81/1071068881.db2.gz BXBQKPFOQQCAHD-NRFANRHFSA-N 0 3 472.590 1.096 20 0 JDADHN CCOCc1nnc(N2CCN(Cc3cc(C)no3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503114068 1071074382 /nfs/dbraw/zinc/07/43/82/1071074382.db2.gz RSKPULOTYNISOR-FQEVSTJZSA-N 0 3 460.627 1.459 20 0 JDADHN CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001503124572 1071090738 /nfs/dbraw/zinc/09/07/38/1071090738.db2.gz NWXKRWWYGNEMKE-PKTZIBPZSA-N 0 3 470.618 1.993 20 0 JDADHN CCOCc1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503127781 1071092209 /nfs/dbraw/zinc/09/22/09/1071092209.db2.gz HJUJOKHRWLOEHD-SXWKCWPCSA-N 0 3 450.628 1.472 20 0 JDADHN CCOC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001503140483 1071096682 /nfs/dbraw/zinc/09/66/82/1071096682.db2.gz HVVJUZPZOQZBRZ-FPOVZHCZSA-N 0 3 470.622 1.931 20 0 JDADHN COc1ccccc1[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC1)N1CCCC1 ZINC001504370191 1071104192 /nfs/dbraw/zinc/10/41/92/1071104192.db2.gz PMVNJLLTTVKTJF-IEBWSBKVSA-N 0 3 478.619 1.571 20 0 JDADHN COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CCCNS(C)(=O)=O ZINC001504390153 1071125778 /nfs/dbraw/zinc/12/57/78/1071125778.db2.gz MSUYFJVOUWQMRC-UHFFFAOYSA-N 0 3 450.609 1.671 20 0 JDADHN CCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503211948 1071158821 /nfs/dbraw/zinc/15/88/21/1071158821.db2.gz LMBMFIYFDWHTLN-GCJKJVERSA-N 0 3 472.638 1.555 20 0 JDADHN CCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503211924 1071158244 /nfs/dbraw/zinc/15/82/44/1071158244.db2.gz LMBMFIYFDWHTLN-AVRDEDQJSA-N 0 3 472.638 1.555 20 0 JDADHN COc1ccccc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001504413940 1071165505 /nfs/dbraw/zinc/16/55/05/1071165505.db2.gz VGNCSYCSQKALHD-GOSISDBHSA-N 0 3 464.636 1.918 20 0 JDADHN COc1ccccc1Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)OC ZINC001504413092 1071163611 /nfs/dbraw/zinc/16/36/11/1071163611.db2.gz QGYWKZHJTSNYMR-IBGZPJMESA-N 0 3 456.591 1.657 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001503218493 1071171195 /nfs/dbraw/zinc/17/11/95/1071171195.db2.gz CPCWVGBIHUNUSI-QFIPXVFZSA-N 0 3 459.639 1.799 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001503219450 1071172008 /nfs/dbraw/zinc/17/20/08/1071172008.db2.gz MTPHYKSQIMNAIR-WOJBJXKFSA-N 0 3 474.654 1.725 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC(C)(C)C2)C[C@@H]1CC ZINC001503220565 1071174801 /nfs/dbraw/zinc/17/48/01/1071174801.db2.gz LWWHPMSKDCQVOY-NRFANRHFSA-N 0 3 474.654 1.727 20 0 JDADHN CCOCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001503223093 1071186175 /nfs/dbraw/zinc/18/61/75/1071186175.db2.gz LOCMLTDQCMTUAH-LEWJYISDSA-N 0 3 450.628 1.299 20 0 JDADHN CCS(=O)(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001503233222 1071208915 /nfs/dbraw/zinc/20/89/15/1071208915.db2.gz ORPPRYUSGLHJOF-UHFFFAOYSA-N 0 3 478.667 1.108 20 0 JDADHN CCS(=O)(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCCC2)CC1 ZINC001503236052 1071219442 /nfs/dbraw/zinc/21/94/42/1071219442.db2.gz PDFVWPKCRBGXHF-HXUWFJFHSA-N 0 3 480.679 1.924 20 0 JDADHN COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504454665 1071226874 /nfs/dbraw/zinc/22/68/74/1071226874.db2.gz SKVBFAJQAMZACY-RXVVDRJESA-N 0 3 498.632 1.247 20 0 JDADHN COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504454664 1071227333 /nfs/dbraw/zinc/22/73/33/1071227333.db2.gz SKVBFAJQAMZACY-NQIIRXRSSA-N 0 3 498.632 1.247 20 0 JDADHN COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001504455055 1071228928 /nfs/dbraw/zinc/22/89/28/1071228928.db2.gz WAHFWWCOMQWSAE-MRXNPFEDSA-N 0 3 463.608 1.405 20 0 JDADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503247962 1071255107 /nfs/dbraw/zinc/25/51/07/1071255107.db2.gz YVQDKBIRDJTAPG-IBGZPJMESA-N 0 3 477.679 1.549 20 0 JDADHN CO[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001504481904 1071257890 /nfs/dbraw/zinc/25/78/90/1071257890.db2.gz ZJTROYPVYAVDPD-DNRQZRRGSA-N 0 3 492.665 1.877 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(CC(C)C)C1 ZINC001503249630 1071259209 /nfs/dbraw/zinc/25/92/09/1071259209.db2.gz BXWDEZPPZDHUGN-MSOLQXFVSA-N 0 3 454.641 1.468 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(Cn3cncn3)CC2)CC1 ZINC001504488926 1071262949 /nfs/dbraw/zinc/26/29/49/1071262949.db2.gz CJMVJABJBIBYJV-UHFFFAOYSA-N 0 3 487.653 1.814 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](Cn3cccn3)C2)CC1 ZINC001504488738 1071263037 /nfs/dbraw/zinc/26/30/37/1071263037.db2.gz BQKKAVXXCSIYCC-FQEVSTJZSA-N 0 3 488.637 1.408 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCC1 ZINC001503250112 1071260876 /nfs/dbraw/zinc/26/08/76/1071260876.db2.gz MLAIRWPFNPJMBO-UHFFFAOYSA-N 0 3 452.581 1.361 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001504488918 1071263130 /nfs/dbraw/zinc/26/31/30/1071263130.db2.gz CIFJSLRZQDPVFX-HXUWFJFHSA-N 0 3 489.665 1.756 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001504490829 1071265827 /nfs/dbraw/zinc/26/58/27/1071265827.db2.gz UAKKMLQNQURTIH-SFHVURJKSA-N 0 3 498.632 1.907 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001504490656 1071265913 /nfs/dbraw/zinc/26/59/13/1071265913.db2.gz QZWYMRNWTRGLEQ-KRWDZBQOSA-N 0 3 463.627 1.398 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503251605 1071267921 /nfs/dbraw/zinc/26/79/21/1071267921.db2.gz PMYIURXQLDNYPF-UHFFFAOYSA-N 0 3 463.652 1.161 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001503252213 1071270381 /nfs/dbraw/zinc/27/03/81/1071270381.db2.gz URHYWJDDDLPTQU-GCJKJVERSA-N 0 3 468.668 1.782 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC001503252214 1071271241 /nfs/dbraw/zinc/27/12/41/1071271241.db2.gz URHYWJDDDLPTQU-PGRDOPGGSA-N 0 3 468.668 1.782 20 0 JDADHN CO[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC[C@@H]1C ZINC001504493491 1071271156 /nfs/dbraw/zinc/27/11/56/1071271156.db2.gz FFXXFKBQNJIMFA-SLFFLAALSA-N 0 3 475.638 1.318 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC001503252216 1071271307 /nfs/dbraw/zinc/27/13/07/1071271307.db2.gz URHYWJDDDLPTQU-XMSQKQJNSA-N 0 3 468.668 1.782 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(N3CCS(=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001504493172 1071271522 /nfs/dbraw/zinc/27/15/22/1071271522.db2.gz DWHPIKFGIFDFMQ-HSZRJFAPSA-N 0 3 483.679 1.777 20 0 JDADHN CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1(C)C ZINC001504493843 1071272237 /nfs/dbraw/zinc/27/22/37/1071272237.db2.gz IMCYEOQOTFHWBV-QZTJIDSGSA-N 0 3 463.627 1.220 20 0 JDADHN CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001503255729 1071284024 /nfs/dbraw/zinc/28/40/24/1071284024.db2.gz BXWBBKPNWJEPLF-HXUWFJFHSA-N 0 3 490.674 1.993 20 0 JDADHN CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503258851 1071302564 /nfs/dbraw/zinc/30/25/64/1071302564.db2.gz FSEBESCQYONXIL-UHFFFAOYSA-N 0 3 495.621 1.980 20 0 JDADHN CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503259375 1071305321 /nfs/dbraw/zinc/30/53/21/1071305321.db2.gz ZAFJFMBTNUUUNY-GOSISDBHSA-N 0 3 480.660 1.108 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503264500 1071324760 /nfs/dbraw/zinc/32/47/60/1071324760.db2.gz FMFUYICLAGPYDH-FQEVSTJZSA-N 0 3 476.647 1.775 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503264501 1071324861 /nfs/dbraw/zinc/32/48/61/1071324861.db2.gz FMFUYICLAGPYDH-HXUWFJFHSA-N 0 3 476.647 1.775 20 0 JDADHN COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC001504531601 1071321366 /nfs/dbraw/zinc/32/13/66/1071321366.db2.gz UVJLIRKJIZXJCT-NRFANRHFSA-N 0 3 483.617 1.376 20 0 JDADHN COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC001504533234 1071326695 /nfs/dbraw/zinc/32/66/95/1071326695.db2.gz ZWGQRBIJMAYEFZ-LJQANCHMSA-N 0 3 471.606 1.232 20 0 JDADHN COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)Cc2ccccc2)CC1 ZINC001504533233 1071326839 /nfs/dbraw/zinc/32/68/39/1071326839.db2.gz ZWGQRBIJMAYEFZ-IBGZPJMESA-N 0 3 471.606 1.232 20 0 JDADHN COCC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001504534107 1071328811 /nfs/dbraw/zinc/32/88/11/1071328811.db2.gz HFVBXQREDDFIQM-NHCUHLMSSA-N 0 3 456.591 1.770 20 0 JDADHN COCC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001504534997 1071332812 /nfs/dbraw/zinc/33/28/12/1071332812.db2.gz SJDOTXJWIZRTTH-IBGZPJMESA-N 0 3 486.646 1.799 20 0 JDADHN COCC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001504536585 1071340642 /nfs/dbraw/zinc/34/06/42/1071340642.db2.gz MLTKYBRSDFBJGB-FQEVSTJZSA-N 0 3 468.537 1.472 20 0 JDADHN COCC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N2CCCC2)CC1 ZINC001504537814 1071348711 /nfs/dbraw/zinc/34/87/11/1071348711.db2.gz GLBGBYOQSXWCNE-JOCHJYFZSA-N 0 3 497.644 1.985 20 0 JDADHN CCS(=O)(=O)N(C)C1CCN(c2nnc(CC3CC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001503268845 1071348791 /nfs/dbraw/zinc/34/87/91/1071348791.db2.gz QFBDUUSHBXGTDF-UHFFFAOYSA-N 0 3 481.711 1.507 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CC2)CC1 ZINC001503269184 1071349224 /nfs/dbraw/zinc/34/92/24/1071349224.db2.gz BWYYVZUGGGWQBP-UHFFFAOYSA-N 0 3 461.636 1.852 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2cnccn2)nnc1N1CCN(C2CCCC2)CC1 ZINC001503269598 1071352752 /nfs/dbraw/zinc/35/27/52/1071352752.db2.gz KFTDXLXKEAMOPY-UHFFFAOYSA-N 0 3 462.624 1.471 20 0 JDADHN COCC(=O)NC1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001504538127 1071349972 /nfs/dbraw/zinc/34/99/72/1071349972.db2.gz JTZMPGIKVXKQQH-IBGZPJMESA-N 0 3 477.654 1.250 20 0 JDADHN COCC(=O)NC1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001504538128 1071350102 /nfs/dbraw/zinc/35/01/02/1071350102.db2.gz JTZMPGIKVXKQQH-LJQANCHMSA-N 0 3 477.654 1.250 20 0 JDADHN COCC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001504538522 1071351811 /nfs/dbraw/zinc/35/18/11/1071351811.db2.gz PJOOTEDFPUKTOB-FUDKSRODSA-N 0 3 486.617 1.600 20 0 JDADHN COCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001504546871 1071373561 /nfs/dbraw/zinc/37/35/61/1071373561.db2.gz BDFOORARWMCOEG-GOSISDBHSA-N 0 3 457.579 1.757 20 0 JDADHN CCS(=O)(=O)NCCCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503276726 1071391310 /nfs/dbraw/zinc/39/13/10/1071391310.db2.gz FTFANPLEFNWNTJ-CTNGQTDRSA-N 0 3 497.710 1.185 20 0 JDADHN COC[C@@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504567594 1071389322 /nfs/dbraw/zinc/38/93/22/1071389322.db2.gz CCUFANZJQXYHGC-UNMCSNQZSA-N 0 3 470.618 1.925 20 0 JDADHN COC[C@@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504567591 1071389681 /nfs/dbraw/zinc/38/96/81/1071389681.db2.gz CCUFANZJQXYHGC-RBBKRZOGSA-N 0 3 470.618 1.925 20 0 JDADHN CCS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001503277499 1071396438 /nfs/dbraw/zinc/39/64/38/1071396438.db2.gz LTVGNIAVQWFDDD-LJQANCHMSA-N 0 3 491.662 1.283 20 0 JDADHN COC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)OC ZINC001504576728 1071397361 /nfs/dbraw/zinc/39/73/61/1071397361.db2.gz BWZQUJBISUNACH-HKUYNNGSSA-N 0 3 473.578 1.276 20 0 JDADHN CCS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503278031 1071401465 /nfs/dbraw/zinc/40/14/65/1071401465.db2.gz PHLGTIZJWCCRJM-UHFFFAOYSA-N 0 3 494.637 1.638 20 0 JDADHN CCS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503277982 1071401681 /nfs/dbraw/zinc/40/16/81/1071401681.db2.gz TXZZXSNQWHYDMS-FQEVSTJZSA-N 0 3 495.694 1.083 20 0 JDADHN COC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001504585653 1071415406 /nfs/dbraw/zinc/41/54/06/1071415406.db2.gz LJIZIXSEFQEMAN-ACRUOGEOSA-N 0 3 450.628 1.786 20 0 JDADHN COC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001504586866 1071420428 /nfs/dbraw/zinc/42/04/28/1071420428.db2.gz AAWJMTPISWADJW-AJSBUHFISA-N 0 3 485.633 1.304 20 0 JDADHN COC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001504586867 1071421297 /nfs/dbraw/zinc/42/12/97/1071421297.db2.gz AAWJMTPISWADJW-OIBXWCBGSA-N 0 3 485.633 1.304 20 0 JDADHN COC[C@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504594910 1071440132 /nfs/dbraw/zinc/44/01/32/1071440132.db2.gz PVXNJWJTCVBWJZ-NQIIRXRSSA-N 0 3 490.580 1.690 20 0 JDADHN CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001503282936 1071441365 /nfs/dbraw/zinc/44/13/65/1071441365.db2.gz AGKIUIQQPDWKRX-UHFFFAOYSA-N 0 3 452.650 1.934 20 0 JDADHN CCS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503283691 1071447582 /nfs/dbraw/zinc/44/75/82/1071447582.db2.gz BHZJUHYPYCXLPY-LJQANCHMSA-N 0 3 470.640 1.008 20 0 JDADHN COC[C@@H](F)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504607644 1071462894 /nfs/dbraw/zinc/46/28/94/1071462894.db2.gz IQFWOEQAHQLXCW-NZQKXSOJSA-N 0 3 469.602 1.852 20 0 JDADHN COC[C@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504608621 1071465786 /nfs/dbraw/zinc/46/57/86/1071465786.db2.gz MJMBECQKJMYQJF-IFMALSPDSA-N 0 3 488.608 1.799 20 0 JDADHN COC[C@H](F)Cn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001504610522 1071469082 /nfs/dbraw/zinc/46/90/82/1071469082.db2.gz SCMALLYGJUQPAZ-XMSQKQJNSA-N 0 3 455.575 1.604 20 0 JDADHN COC[C@@H](F)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001504612971 1071472713 /nfs/dbraw/zinc/47/27/13/1071472713.db2.gz JWNUZCIZJJLVMU-TUFLPTIASA-N 0 3 468.618 1.591 20 0 JDADHN CC[S@](=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503292248 1071497503 /nfs/dbraw/zinc/49/75/03/1071497503.db2.gz VDLVTUAIVYGXFQ-XIFFEERXSA-N 0 3 474.631 1.467 20 0 JDADHN COCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001504638547 1071500031 /nfs/dbraw/zinc/50/00/31/1071500031.db2.gz MJJZZHZAGASGLJ-OAQYLSRUSA-N 0 3 483.617 1.354 20 0 JDADHN CC[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503296397 1071510093 /nfs/dbraw/zinc/51/00/93/1071510093.db2.gz NIDCRODACQVNDD-IAQAZVPISA-N 0 3 480.038 1.505 20 0 JDADHN CC[S@](=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001503301256 1071520266 /nfs/dbraw/zinc/52/02/66/1071520266.db2.gz QANZBNCJWYOFDN-MNAQKMTRSA-N 0 3 459.664 1.637 20 0 JDADHN CC[S@@](=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001503301252 1071520330 /nfs/dbraw/zinc/52/03/30/1071520330.db2.gz QANZBNCJWYOFDN-GFJKYASSSA-N 0 3 459.664 1.637 20 0 JDADHN CC[S@](=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503301917 1071521906 /nfs/dbraw/zinc/52/19/06/1071521906.db2.gz QJOZDSHAEXFQAD-HKBQPEDESA-N 0 3 450.653 1.524 20 0 JDADHN CC[S@](=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503304665 1071527861 /nfs/dbraw/zinc/52/78/61/1071527861.db2.gz YOWHJMIUTFZTMZ-UMSFTDKQSA-N 0 3 488.658 1.679 20 0 JDADHN CC[S@@](=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503313695 1071536429 /nfs/dbraw/zinc/53/64/29/1071536429.db2.gz PBEKXFVQELJLOQ-JGCGQSQUSA-N 0 3 462.595 1.597 20 0 JDADHN CCSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503345623 1071545714 /nfs/dbraw/zinc/54/57/14/1071545714.db2.gz WLBPXYQOGHPKQW-MRXNPFEDSA-N 0 3 460.670 1.333 20 0 JDADHN COC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001504691949 1071548256 /nfs/dbraw/zinc/54/82/56/1071548256.db2.gz HRBFAUZFAUHZSZ-LJQANCHMSA-N 0 3 490.674 1.847 20 0 JDADHN COC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)C1 ZINC001504687288 1071543089 /nfs/dbraw/zinc/54/30/89/1071543089.db2.gz XKTPBCYPFOADAC-AABGKKOBSA-N 0 3 469.652 1.280 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CCOc2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001503357362 1071559016 /nfs/dbraw/zinc/55/90/16/1071559016.db2.gz JICCXSDRYOTVNH-NRFANRHFSA-N 0 3 483.617 1.169 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357219 1071557386 /nfs/dbraw/zinc/55/73/86/1071557386.db2.gz HNEWNCYMQGWRGJ-HXUWFJFHSA-N 0 3 471.654 1.578 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccsc2)nnc1N1CCC(C(N)=O)CC1 ZINC001503357204 1071557830 /nfs/dbraw/zinc/55/78/30/1071557830.db2.gz HDUXCZMPXMEDDC-IBGZPJMESA-N 0 3 473.647 1.575 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001503357405 1071558648 /nfs/dbraw/zinc/55/86/48/1071558648.db2.gz JOMHAMBABAKSET-LJQANCHMSA-N 0 3 489.665 1.737 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CCc2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001503357591 1071559662 /nfs/dbraw/zinc/55/96/62/1071559662.db2.gz NIVKYIYXIDLEJG-HFZDXXHNSA-N 0 3 481.645 1.708 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001503357665 1071559712 /nfs/dbraw/zinc/55/97/12/1071559712.db2.gz AEWDUOFHFSRTGO-UXHICEINSA-N 0 3 475.638 1.207 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001503357877 1071562083 /nfs/dbraw/zinc/56/20/83/1071562083.db2.gz BLUZGAFVYYMEAB-LJQANCHMSA-N 0 3 473.666 1.916 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001503358209 1071564072 /nfs/dbraw/zinc/56/40/72/1071564072.db2.gz SGYLWBLVOBQWCM-OALUTQOASA-N 0 3 495.550 1.974 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 ZINC001503358161 1071564444 /nfs/dbraw/zinc/56/44/44/1071564444.db2.gz REQDKAKDIOSVGH-LJQANCHMSA-N 0 3 490.008 1.389 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001503358295 1071565453 /nfs/dbraw/zinc/56/54/53/1071565453.db2.gz GCNYUZCYWGGHLX-RTWAWAEBSA-N 0 3 486.665 1.911 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001503358367 1071566361 /nfs/dbraw/zinc/56/63/61/1071566361.db2.gz UXKBXYRPXIXJDF-QZTJIDSGSA-N 0 3 499.582 1.678 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 ZINC001503358714 1071567139 /nfs/dbraw/zinc/56/71/39/1071567139.db2.gz HSMCZLMHMCCJPK-OAQYLSRUSA-N 0 3 485.608 1.652 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001503358643 1071567377 /nfs/dbraw/zinc/56/73/77/1071567377.db2.gz XXEAOEACDBCARP-LEWJYISDSA-N 0 3 483.617 1.808 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001503359622 1071570774 /nfs/dbraw/zinc/57/07/74/1071570774.db2.gz MJLDWVKAGCVBGS-HXUWFJFHSA-N 0 3 471.581 1.229 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCC(CO)CC1 ZINC001503361668 1071577636 /nfs/dbraw/zinc/57/76/36/1071577636.db2.gz XSRHRZZEVBQSGK-OAQYLSRUSA-N 0 3 455.607 1.415 20 0 JDADHN COC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CCO1 ZINC001504725512 1071592659 /nfs/dbraw/zinc/59/26/59/1071592659.db2.gz CCNVAVKOWOUHML-ZWKOTPCHSA-N 0 3 455.625 1.296 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)C[C@H](C)O1 ZINC001504729453 1071598872 /nfs/dbraw/zinc/59/88/72/1071598872.db2.gz OHPZRAPQQIBGOE-WCIQWLHISA-N 0 3 469.652 1.542 20 0 JDADHN CN(C)C(=O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503374330 1071612382 /nfs/dbraw/zinc/61/23/82/1071612382.db2.gz QRCXMNCNRRIKIJ-QRVBRYPASA-N 0 3 491.637 1.296 20 0 JDADHN COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001504737046 1071612574 /nfs/dbraw/zinc/61/25/74/1071612574.db2.gz XXRQZKDTXCKNIS-NQIIRXRSSA-N 0 3 474.581 1.912 20 0 JDADHN COC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001504737050 1071612763 /nfs/dbraw/zinc/61/27/63/1071612763.db2.gz XXRQZKDTXCKNIS-WIYYLYMNSA-N 0 3 474.581 1.912 20 0 JDADHN COCCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504739840 1071618148 /nfs/dbraw/zinc/61/81/48/1071618148.db2.gz UKATWSDGGTUHSJ-UHFFFAOYSA-N 0 3 463.627 1.223 20 0 JDADHN CN(C)C(=O)CN1CCN(c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001503376442 1071620525 /nfs/dbraw/zinc/62/05/25/1071620525.db2.gz LJMLWMXTZQSYGR-UHFFFAOYSA-N 0 3 496.704 1.300 20 0 JDADHN CN(C)C(=O)CN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001503376447 1071620820 /nfs/dbraw/zinc/62/08/20/1071620820.db2.gz LLJCZGQBLWOXFG-QHCPKHFHSA-N 0 3 494.619 1.916 20 0 JDADHN CN(C)C(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001503376801 1071623733 /nfs/dbraw/zinc/62/37/33/1071623733.db2.gz HGQKMXYTXLEBQW-HXUWFJFHSA-N 0 3 468.631 1.915 20 0 JDADHN CN(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1)c1cccs1 ZINC001503380144 1071635378 /nfs/dbraw/zinc/63/53/78/1071635378.db2.gz GQZTXTBXKFBNHM-CVEARBPZSA-N 0 3 454.622 1.574 20 0 JDADHN CN(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1cccc(F)c1 ZINC001503381437 1071636823 /nfs/dbraw/zinc/63/68/23/1071636823.db2.gz BTLNHBHGLYZLKJ-ICSRJNTNSA-N 0 3 480.610 1.696 20 0 JDADHN COCC[C@@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504753321 1071637762 /nfs/dbraw/zinc/63/77/62/1071637762.db2.gz DODMLYFLPKYTFR-WMZHIEFXSA-N 0 3 464.611 1.052 20 0 JDADHN CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1)c1ccc(F)cc1 ZINC001503382700 1071638255 /nfs/dbraw/zinc/63/82/55/1071638255.db2.gz SBXOJBZJGZCHCM-HXUWFJFHSA-N 0 3 470.553 1.591 20 0 JDADHN CN(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC001503383147 1071639189 /nfs/dbraw/zinc/63/91/89/1071639189.db2.gz QPLLJGYFULWRDK-NRFANRHFSA-N 0 3 487.605 1.788 20 0 JDADHN CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccc(F)c1 ZINC001503384255 1071641247 /nfs/dbraw/zinc/64/12/47/1071641247.db2.gz YHPRSZHFQVNDEC-LJQANCHMSA-N 0 3 474.566 1.259 20 0 JDADHN CN(C)C1(Cn2c(-c3cccn3C)nnc2N(CCS(C)(=O)=O)C2CC2)CCOCC1 ZINC001503384772 1071641794 /nfs/dbraw/zinc/64/17/94/1071641794.db2.gz GSXHCVPDFIJXPT-UHFFFAOYSA-N 0 3 450.609 1.408 20 0 JDADHN CN(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1)c1cccs1 ZINC001503384589 1071641977 /nfs/dbraw/zinc/64/19/77/1071641977.db2.gz XFFKKXIXFXPKEW-BBWFWOEESA-N 0 3 484.648 1.201 20 0 JDADHN CN(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC001503388115 1071646011 /nfs/dbraw/zinc/64/60/11/1071646011.db2.gz VMPUWSJCBZZAOS-HZPDHXFCSA-N 0 3 454.622 1.576 20 0 JDADHN CN(C)C1(Cn2c(CN3CCCC3=O)nnc2N(CCS(C)(=O)=O)C2CC2)CCCCC1 ZINC001503389872 1071649126 /nfs/dbraw/zinc/64/91/26/1071649126.db2.gz QUUQZYPXEVNZOI-UHFFFAOYSA-N 0 3 466.652 1.678 20 0 JDADHN COCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504759457 1071652312 /nfs/dbraw/zinc/65/23/12/1071652312.db2.gz JKIDSDHGIYDCNF-HSZRJFAPSA-N 0 3 491.662 1.166 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001503399287 1071659345 /nfs/dbraw/zinc/65/93/45/1071659345.db2.gz OKVGJIRCDWDESC-QZTJIDSGSA-N 0 3 462.620 1.821 20 0 JDADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001503401187 1071662697 /nfs/dbraw/zinc/66/26/97/1071662697.db2.gz XYJDQUZICJLOJC-BRWVUGGUSA-N 0 3 452.625 1.015 20 0 JDADHN COCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504763008 1071660211 /nfs/dbraw/zinc/66/02/11/1071660211.db2.gz WXUXEVUDGGJCOD-GREBRCKQSA-N 0 3 467.611 1.091 20 0 JDADHN COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC001504764088 1071661125 /nfs/dbraw/zinc/66/11/25/1071661125.db2.gz ISPGRGDECZOGQZ-ROUUACIJSA-N 0 3 484.667 1.395 20 0 JDADHN COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)CC1 ZINC001504763913 1071661285 /nfs/dbraw/zinc/66/12/85/1071661285.db2.gz GFQRJOXZYMFABY-QGZVFWFLSA-N 0 3 454.641 1.770 20 0 JDADHN COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC001504764095 1071661768 /nfs/dbraw/zinc/66/17/68/1071661768.db2.gz ISPGRGDECZOGQZ-ZWKOTPCHSA-N 0 3 484.667 1.395 20 0 JDADHN COCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001504799542 1071678384 /nfs/dbraw/zinc/67/83/84/1071678384.db2.gz BNLXATGANXULHT-UXHICEINSA-N 0 3 468.668 1.212 20 0 JDADHN CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503406349 1071680072 /nfs/dbraw/zinc/68/00/72/1071680072.db2.gz IEYOBZLJJBVULW-UHFFFAOYSA-N 0 3 484.026 1.186 20 0 JDADHN COCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001504808495 1071682338 /nfs/dbraw/zinc/68/23/38/1071682338.db2.gz SYBREZPIBPLONF-NHCUHLMSSA-N 0 3 456.591 1.993 20 0 JDADHN CN(c1nnc(-c2cnn(C)c2)n1CCC(=O)NC(C)(C)C)C1CCN(CCn2cccn2)CC1 ZINC001503421214 1071709443 /nfs/dbraw/zinc/70/94/43/1071709443.db2.gz ZPGDALNAKZNGAX-UHFFFAOYSA-N 0 3 482.637 1.781 20 0 JDADHN CN(c1nnc(CC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O)C1CCN(CCn2cccn2)CC1 ZINC001503425053 1071714385 /nfs/dbraw/zinc/71/43/85/1071714385.db2.gz WVHDIBOFZAKISC-IBGZPJMESA-N 0 3 485.637 1.652 20 0 JDADHN CN(c1nnc(CC2CCCC2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001503430852 1071723842 /nfs/dbraw/zinc/72/38/42/1071723842.db2.gz CGPPWTKJJBTHLY-LJQANCHMSA-N 0 3 452.669 1.660 20 0 JDADHN CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1)[C@@H]1CCSC1 ZINC001503431224 1071724843 /nfs/dbraw/zinc/72/48/43/1071724843.db2.gz HDWPVVZEFKPJGX-IAGOWNOFSA-N 0 3 458.654 1.039 20 0 JDADHN CN(c1nnc([C@H]2CCCO2)n1CC(=O)NCC(F)F)C1CCN(CCn2cccn2)CC1 ZINC001503434318 1071731360 /nfs/dbraw/zinc/73/13/60/1071731360.db2.gz ATOGMZAHWJVMJY-QGZVFWFLSA-N 0 3 466.537 1.308 20 0 JDADHN CN(c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001503434190 1071731597 /nfs/dbraw/zinc/73/15/97/1071731597.db2.gz RQYROFMCTJLBOS-LJQANCHMSA-N 0 3 494.637 1.646 20 0 JDADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1)c1cccs1 ZINC001503438197 1071746214 /nfs/dbraw/zinc/74/62/14/1071746214.db2.gz DNQXJQKZMIOYGP-KRWDZBQOSA-N 0 3 475.619 1.060 20 0 JDADHN CN(CC(C)(C)CN1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCSCC1 ZINC001503448500 1071767770 /nfs/dbraw/zinc/76/77/70/1071767770.db2.gz FOTXHLIABYIXNZ-GOSISDBHSA-N 0 3 465.668 1.073 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001504856907 1071771920 /nfs/dbraw/zinc/77/19/20/1071771920.db2.gz HRICFTCDAVBMNN-OTWHNJEPSA-N 0 3 491.637 1.643 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001504857067 1071773655 /nfs/dbraw/zinc/77/36/55/1071773655.db2.gz JNVGSYMLJLRLII-AZUAARDMSA-N 0 3 475.638 1.282 20 0 JDADHN COCCN(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 ZINC001504856916 1071772558 /nfs/dbraw/zinc/77/25/58/1071772558.db2.gz CZAMSILZSAOVFE-OAQYLSRUSA-N 0 3 458.563 1.427 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001504857182 1071773022 /nfs/dbraw/zinc/77/30/22/1071773022.db2.gz HYXXXNMCYGGTSO-FQEVSTJZSA-N 0 3 471.606 1.176 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(C1)CCCCC2 ZINC001504857802 1071779287 /nfs/dbraw/zinc/77/92/87/1071779287.db2.gz POYUHYGGPOOYRF-IBGZPJMESA-N 0 3 484.667 1.350 20 0 JDADHN COCCN(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 ZINC001504857213 1071774664 /nfs/dbraw/zinc/77/46/64/1071774664.db2.gz IRIXQEYXKFZVSD-GOSISDBHSA-N 0 3 482.626 1.780 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001504857222 1071775071 /nfs/dbraw/zinc/77/50/71/1071775071.db2.gz KXCLCWGMOBJWOH-MOPGFXCFSA-N 0 3 493.653 1.638 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001504857499 1071776295 /nfs/dbraw/zinc/77/62/95/1071776295.db2.gz OPGWCCFCXIFXJA-GOSISDBHSA-N 0 3 451.616 1.728 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001504857696 1071778997 /nfs/dbraw/zinc/77/89/97/1071778997.db2.gz PEHKYIQZZLXUIP-HXUWFJFHSA-N 0 3 456.591 1.759 20 0 JDADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001504857920 1071780456 /nfs/dbraw/zinc/78/04/56/1071780456.db2.gz TYOGPKYFKGGKGO-BEFAXECRSA-N 0 3 462.517 1.337 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001504858078 1071781963 /nfs/dbraw/zinc/78/19/63/1071781963.db2.gz UEXUELLXVGJAHA-OTWHNJEPSA-N 0 3 472.656 1.204 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001504858127 1071782270 /nfs/dbraw/zinc/78/22/70/1071782270.db2.gz VPLIGKSTERNZQH-LJQANCHMSA-N 0 3 459.526 1.856 20 0 JDADHN COCCN(C)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001504858239 1071782940 /nfs/dbraw/zinc/78/29/40/1071782940.db2.gz XRWHIJAIPZOCAA-LJQANCHMSA-N 0 3 454.641 1.518 20 0 JDADHN COCCN(C)CCn1c(C2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001504858238 1071783356 /nfs/dbraw/zinc/78/33/56/1071783356.db2.gz XRWHIJAIPZOCAA-IBGZPJMESA-N 0 3 454.641 1.518 20 0 JDADHN COCCN(C)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001504858918 1071784292 /nfs/dbraw/zinc/78/42/92/1071784292.db2.gz NMECIQWFGZPHPT-CYFREDJKSA-N 0 3 459.591 1.840 20 0 JDADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001504858862 1071784352 /nfs/dbraw/zinc/78/43/52/1071784352.db2.gz LVVUKEHTQBRUJF-UHFFFAOYSA-N 0 3 475.619 1.003 20 0 JDADHN COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001504858739 1071784868 /nfs/dbraw/zinc/78/48/68/1071784868.db2.gz HUXAPYXGQRNBTK-IBGZPJMESA-N 0 3 476.626 1.821 20 0 JDADHN COCCN(C)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001504858734 1071785027 /nfs/dbraw/zinc/78/50/27/1071785027.db2.gz HQYCKMAZTPGWQP-IBGZPJMESA-N 0 3 459.595 1.946 20 0 JDADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001504858955 1071785913 /nfs/dbraw/zinc/78/59/13/1071785913.db2.gz ORVGCVMPYIPJAY-IBGZPJMESA-N 0 3 475.619 1.275 20 0 JDADHN COCCN(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCOC1 ZINC001504859908 1071790692 /nfs/dbraw/zinc/79/06/92/1071790692.db2.gz ACGGUXGFHAOFOW-KSZLIROESA-N 0 3 452.600 1.852 20 0 JDADHN COCCN(C)CCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1C(C)(C)C ZINC001504859956 1071791021 /nfs/dbraw/zinc/79/10/21/1071791021.db2.gz BAVUFGFRUZHDII-LEWJYISDSA-N 0 3 477.698 1.971 20 0 JDADHN COCCN(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCOC1 ZINC001504859907 1071791076 /nfs/dbraw/zinc/79/10/76/1071791076.db2.gz ACGGUXGFHAOFOW-FGTMMUONSA-N 0 3 452.600 1.852 20 0 JDADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001504859067 1071786279 /nfs/dbraw/zinc/78/62/79/1071786279.db2.gz RQZDTNCAROLNKW-UHFFFAOYSA-N 0 3 461.592 1.029 20 0 JDADHN COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001504859248 1071786832 /nfs/dbraw/zinc/78/68/32/1071786832.db2.gz XLDJSKMECXXOMI-GOSISDBHSA-N 0 3 472.560 1.791 20 0 JDADHN COCCN(C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 ZINC001504859138 1071786892 /nfs/dbraw/zinc/78/68/92/1071786892.db2.gz TZHKXWNBZVZHCW-UHFFFAOYSA-N 0 3 455.563 1.817 20 0 JDADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(C)n2CCN2CCc3ccccc3C2)C1 ZINC001504859709 1071789893 /nfs/dbraw/zinc/78/98/93/1071789893.db2.gz DORQCKIUHDAAHF-QFIPXVFZSA-N 0 3 476.647 1.522 20 0 JDADHN COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001504860234 1071792510 /nfs/dbraw/zinc/79/25/10/1071792510.db2.gz DSAKZKVOMKLWOW-ICSRJNTNSA-N 0 3 493.653 1.985 20 0 JDADHN CN(Cc1cccc(C(N)=O)c1)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503481063 1071800505 /nfs/dbraw/zinc/80/05/05/1071800505.db2.gz PDZYHDARPMSQDX-UHFFFAOYSA-N 0 3 463.590 1.496 20 0 JDADHN COCCN(C)CCn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001504862017 1071801165 /nfs/dbraw/zinc/80/11/65/1071801165.db2.gz SNSOETNQPDDDJX-NHCUHLMSSA-N 0 3 456.591 1.991 20 0 JDADHN COCCN(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001504862375 1071801826 /nfs/dbraw/zinc/80/18/26/1071801826.db2.gz VEDDLSXANVEQAI-OKZBNKHCSA-N 0 3 480.610 1.626 20 0 JDADHN COCCN(C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001504862310 1071801900 /nfs/dbraw/zinc/80/19/00/1071801900.db2.gz URBNRBBRTRHSQX-DEOSSOPVSA-N 0 3 456.591 1.911 20 0 JDADHN CN(Cc1ccccn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO ZINC001503491166 1071805510 /nfs/dbraw/zinc/80/55/10/1071805510.db2.gz MDALQDNWDUQXQX-ICSRJNTNSA-N 0 3 462.620 1.449 20 0 JDADHN COCCN(Cc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504877815 1071807601 /nfs/dbraw/zinc/80/76/01/1071807601.db2.gz AEPBLBZBDPQMLZ-UHFFFAOYSA-N 0 3 473.622 1.786 20 0 JDADHN CN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503496955 1071807303 /nfs/dbraw/zinc/80/73/03/1071807303.db2.gz XDQHVNONOSBVNW-UHFFFAOYSA-N 0 3 466.594 1.321 20 0 JDADHN COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001504891291 1071814390 /nfs/dbraw/zinc/81/43/90/1071814390.db2.gz FQLCLCQDTITPST-UHFFFAOYSA-N 0 3 492.646 1.390 20 0 JDADHN CN(C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN2CC=CCC2)C1)S(C)(=O)=O ZINC001503548840 1071841838 /nfs/dbraw/zinc/84/18/38/1071841838.db2.gz UXPTTXYDVCSMLR-OALUTQOASA-N 0 3 452.625 1.152 20 0 JDADHN COCCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)CC1=O ZINC001504903832 1071842134 /nfs/dbraw/zinc/84/21/34/1071842134.db2.gz MHNTVMJYVRRUCI-UHFFFAOYSA-N 0 3 483.617 1.160 20 0 JDADHN CN(C[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN2CC=CCC2)C1)S(C)(=O)=O ZINC001503548842 1071842469 /nfs/dbraw/zinc/84/24/69/1071842469.db2.gz UXPTTXYDVCSMLR-RTBURBONSA-N 0 3 452.625 1.152 20 0 JDADHN COCCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3ccccc3C2)C[C@@H]1C ZINC001504904394 1071843204 /nfs/dbraw/zinc/84/32/04/1071843204.db2.gz OAYCNJWDRNWHHL-FQEVSTJZSA-N 0 3 469.634 1.632 20 0 JDADHN COCCN1C[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1=O ZINC001504906096 1071849395 /nfs/dbraw/zinc/84/93/95/1071849395.db2.gz OHOVWRGBACWALR-VXKWHMMOSA-N 0 3 489.709 1.966 20 0 JDADHN CN(CC1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CCCO ZINC001503560866 1071850810 /nfs/dbraw/zinc/85/08/10/1071850810.db2.gz YVYIZTLZJBETLH-IBGZPJMESA-N 0 3 457.579 1.635 20 0 JDADHN CN(CC1COC(C)(C)OC1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CCCO ZINC001503565356 1071855026 /nfs/dbraw/zinc/85/50/26/1071855026.db2.gz PWXHHNIKMRSEHZ-LJQANCHMSA-N 0 3 464.611 1.196 20 0 JDADHN COCCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001504909297 1071860281 /nfs/dbraw/zinc/86/02/81/1071860281.db2.gz BZYQCLPFJXWMRL-KRWDZBQOSA-N 0 3 496.454 1.915 20 0 JDADHN COCCN1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC(C)(C)C2)CC1 ZINC001504914574 1071874940 /nfs/dbraw/zinc/87/49/40/1071874940.db2.gz DLOQGWMJDVHXRL-UHFFFAOYSA-N 0 3 458.607 1.833 20 0 JDADHN COCCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccs2)N(C)C)CC1=O ZINC001504914717 1071875541 /nfs/dbraw/zinc/87/55/41/1071875541.db2.gz GYQXGEKPPUDIGD-GOSISDBHSA-N 0 3 457.604 1.943 20 0 JDADHN COCCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1=O ZINC001504915206 1071876911 /nfs/dbraw/zinc/87/69/11/1071876911.db2.gz KARMGKJDIJNJLL-QFIPXVFZSA-N 0 3 481.601 1.890 20 0 JDADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001504913573 1071873065 /nfs/dbraw/zinc/87/30/65/1071873065.db2.gz GIQNQYXCDQCHHX-UHFFFAOYSA-N 0 3 456.570 1.718 20 0 JDADHN COCCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504916285 1071880137 /nfs/dbraw/zinc/88/01/37/1071880137.db2.gz FESJIPZMCTYHTE-AABGKKOBSA-N 0 3 472.638 1.780 20 0 JDADHN COCCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001504916592 1071880734 /nfs/dbraw/zinc/88/07/34/1071880734.db2.gz HOZNPBJCSQJQSB-VQTJNVASSA-N 0 3 458.611 1.249 20 0 JDADHN COCCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001504916591 1071880808 /nfs/dbraw/zinc/88/08/08/1071880808.db2.gz HOZNPBJCSQJQSB-UXHICEINSA-N 0 3 458.611 1.249 20 0 JDADHN COCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC001504918352 1071886330 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CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)CN3CCCC4(CC4)S3(=O)=O)C2)ccn1 ZINC001470451884 1068764433 /nfs/dbraw/zinc/76/44/33/1068764433.db2.gz IGQFBQGBGNPDMT-FQEVSTJZSA-N 0 3 450.605 1.860 20 0 JDADHN C[C@H]1CN(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC[C@H]1N1CCN(C)CC1 ZINC001470792844 1068810037 /nfs/dbraw/zinc/81/00/37/1068810037.db2.gz APINQIQULGSCPG-KPYOPSEVSA-N 0 3 473.666 1.776 20 0 JDADHN CCC1(N2CCOCC2)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC001470859785 1068818065 /nfs/dbraw/zinc/81/80/65/1068818065.db2.gz CVHKFJNURGGVRB-QHCPKHFHSA-N 0 3 458.559 1.566 20 0 JDADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2)cc1C ZINC001470862807 1068818635 /nfs/dbraw/zinc/81/86/35/1068818635.db2.gz JFXFXUDXYDUDSM-FQEVSTJZSA-N 0 3 450.605 1.573 20 0 JDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC001470862273 1068818659 /nfs/dbraw/zinc/81/86/59/1068818659.db2.gz FEVDSJPIDVPWIC-QGZVFWFLSA-N 0 3 456.996 1.609 20 0 JDADHN CC(=O)N[C@@](C)(C(=O)Nc1cc(N2CCN(C)CC2)ccn1)c1ccc(S(C)(=O)=O)cc1 ZINC001471050291 1068832204 /nfs/dbraw/zinc/83/22/04/1068832204.db2.gz KXMLUGXSNFQDRY-JOCHJYFZSA-N 0 3 459.572 1.227 20 0 JDADHN Cc1ccccc1CN1CCO[C@@H](CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC001471123874 1068837542 /nfs/dbraw/zinc/83/75/42/1068837542.db2.gz BNFOACKVVLAIAW-RPWUZVMVSA-N 0 3 459.635 1.292 20 0 JDADHN Cc1ccccc1CN1CCO[C@H](CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC001471123873 1068837563 /nfs/dbraw/zinc/83/75/63/1068837563.db2.gz BNFOACKVVLAIAW-DNQXCXABSA-N 0 3 459.635 1.292 20 0 JDADHN CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC001471193583 1068842010 /nfs/dbraw/zinc/84/20/10/1068842010.db2.gz GLKAZEVSLMFGOQ-LJQANCHMSA-N 0 3 458.575 1.875 20 0 JDADHN C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001471226394 1068844296 /nfs/dbraw/zinc/84/42/96/1068844296.db2.gz DIDIAZISPWQSSJ-IMFGXOCKSA-N 0 3 451.614 1.947 20 0 JDADHN CN1CCN(C2CCN(C(=O)CCNC(=O)c3cc(F)ccc3Br)CC2)CC1 ZINC001471236624 1068845632 /nfs/dbraw/zinc/84/56/32/1068845632.db2.gz VKJVMFVTXRIGAR-UHFFFAOYSA-N 0 3 455.372 1.947 20 0 JDADHN Cc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)C2)cc1 ZINC001471316679 1068852979 /nfs/dbraw/zinc/85/29/79/1068852979.db2.gz VTFJOIHOKMERJN-LJQANCHMSA-N 0 3 459.568 1.825 20 0 JDADHN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC[C@@H]2CCCCN2CCO)CC2(CCOCC2)C1 ZINC001471323484 1068854447 /nfs/dbraw/zinc/85/44/47/1068854447.db2.gz SBVXYJVUKDUPQG-OALUTQOASA-N 0 3 454.612 1.939 20 0 JDADHN C[C@H]1[C@H](NC(=O)N2CCN(C(=O)c3ccccc3I)CC2)CCN1C ZINC001471394498 1068861588 /nfs/dbraw/zinc/86/15/88/1068861588.db2.gz GPUAFJVNSBJIAJ-XJKSGUPXSA-N 0 3 456.328 1.851 20 0 JDADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2c[nH]cc(I)c2=O)CC1=O ZINC001471907121 1068926589 /nfs/dbraw/zinc/92/65/89/1068926589.db2.gz QPXIGKMCKJXOQQ-RYUDHWBXSA-N 0 3 458.300 1.251 20 0 JDADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2c[nH]cc(I)c2=O)CC1=O ZINC001471907120 1068926710 /nfs/dbraw/zinc/92/67/10/1068926710.db2.gz QPXIGKMCKJXOQQ-NWDGAFQWSA-N 0 3 458.300 1.251 20 0 JDADHN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001472069210 1068947991 /nfs/dbraw/zinc/94/79/91/1068947991.db2.gz MQNRQKCIBMCOPY-AEFFLSMTSA-N 0 3 459.609 1.595 20 0 JDADHN O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)N1CC(N[C@H]2CCOC2)C1 ZINC001472080055 1068950502 /nfs/dbraw/zinc/95/05/02/1068950502.db2.gz IKLXHMPLQYEIGZ-KRWDZBQOSA-N 0 3 455.372 1.295 20 0 JDADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001499316171 1068975916 /nfs/dbraw/zinc/97/59/16/1068975916.db2.gz SPWKANVRETWJLA-ZSYWTGECSA-N 0 3 466.652 1.263 20 0 JDADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C ZINC001499316309 1068976636 /nfs/dbraw/zinc/97/66/36/1068976636.db2.gz UTEZTFRVBNLTHC-GUDVDZBRSA-N 0 3 466.652 1.406 20 0 JDADHN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CC[C@H]4[C@H]3CCCN4CCO)ccn2)CC1 ZINC001472258662 1068979412 /nfs/dbraw/zinc/97/94/12/1068979412.db2.gz INOVQGPUHZFYTF-VQTJNVASSA-N 0 3 459.591 1.810 20 0 JDADHN CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001499321852 1068980409 /nfs/dbraw/zinc/98/04/09/1068980409.db2.gz FVSXSNZMNAACRP-TZIWHRDSSA-N 0 3 469.634 1.618 20 0 JDADHN CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CCN1CCN(C)C(C)(C)C1 ZINC001499323096 1068982016 /nfs/dbraw/zinc/98/20/16/1068982016.db2.gz NMHHETIDLTXJJG-OAQYLSRUSA-N 0 3 453.635 1.918 20 0 JDADHN CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001499329028 1068985078 /nfs/dbraw/zinc/98/50/78/1068985078.db2.gz LMPYEQFSUVGCAC-FQEVSTJZSA-N 0 3 473.597 1.737 20 0 JDADHN CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCN(CC)CC1 ZINC001499367200 1068994163 /nfs/dbraw/zinc/99/41/63/1068994163.db2.gz REJBCCAMPOCDEI-NJYVYQBISA-N 0 3 497.710 1.263 20 0 JDADHN CC[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001499483443 1069009291 /nfs/dbraw/zinc/00/92/91/1069009291.db2.gz XZCAQSQOPUTBGB-ROUUACIJSA-N 0 3 455.673 1.541 20 0 JDADHN CC[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001499501039 1069009967 /nfs/dbraw/zinc/00/99/67/1069009967.db2.gz AGHZDXVTVOUDJK-OALUTQOASA-N 0 3 454.641 1.723 20 0 JDADHN CC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001499501041 1069010064 /nfs/dbraw/zinc/01/00/64/1069010064.db2.gz AGHZDXVTVOUDJK-RTBURBONSA-N 0 3 454.641 1.723 20 0 JDADHN CC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001499561251 1069015091 /nfs/dbraw/zinc/01/50/91/1069015091.db2.gz IBVXUEKJYAUZFK-RCCFBDPRSA-N 0 3 469.656 1.067 20 0 JDADHN CC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)CN2CCN(CC)CC2)C1 ZINC001499601951 1069018723 /nfs/dbraw/zinc/01/87/23/1069018723.db2.gz PUUVEFGMKLLOKZ-NJDAHSKKSA-N 0 3 497.710 1.121 20 0 JDADHN CC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)CN2CCN(CC)CC2)C1 ZINC001499601952 1069018877 /nfs/dbraw/zinc/01/88/77/1069018877.db2.gz PUUVEFGMKLLOKZ-NJYVYQBISA-N 0 3 497.710 1.121 20 0 JDADHN CC(C)[C@H](CNC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)N1CCN(C)CC1 ZINC001472519775 1069021969 /nfs/dbraw/zinc/02/19/69/1069021969.db2.gz GDKQJAIDIOGVMY-MOPGFXCFSA-N 0 3 453.628 1.280 20 0 JDADHN CC(C)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)N1CCN(C)CC1 ZINC001472519778 1069022054 /nfs/dbraw/zinc/02/20/54/1069022054.db2.gz GDKQJAIDIOGVMY-RTBURBONSA-N 0 3 453.628 1.280 20 0 JDADHN CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCN(CC)CC2)CCO1 ZINC001499648954 1069026292 /nfs/dbraw/zinc/02/62/92/1069026292.db2.gz NBGMRFGLVUOJBY-UXHICEINSA-N 0 3 470.622 1.814 20 0 JDADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2c3ccccc3nc2-c2cscn2)CC1=O ZINC001472575035 1069033564 /nfs/dbraw/zinc/03/35/64/1069033564.db2.gz FQYAHPVZSIIHGT-MRXNPFEDSA-N 0 3 456.572 1.455 20 0 JDADHN CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001499675533 1069037304 /nfs/dbraw/zinc/03/73/04/1069037304.db2.gz AAFZZTGGWSCGHE-YKSBVNFPSA-N 0 3 464.655 1.960 20 0 JDADHN CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CCN1CCOC ZINC001499721109 1069050682 /nfs/dbraw/zinc/05/06/82/1069050682.db2.gz BOMDJSXSDMWDSF-BURNTYAHSA-N 0 3 491.681 1.664 20 0 JDADHN CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CCN1CCOC ZINC001499721110 1069050721 /nfs/dbraw/zinc/05/07/21/1069050721.db2.gz BOMDJSXSDMWDSF-MHTWAQMVSA-N 0 3 491.681 1.664 20 0 JDADHN CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)CC)C[C@@H]1N1CCOCC1 ZINC001499727405 1069058673 /nfs/dbraw/zinc/05/86/73/1069058673.db2.gz FSLVVMYFWADQQC-NCYKPQTJSA-N 0 3 482.695 1.458 20 0 JDADHN COC(=O)c1ccccc1N(C)C(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC001473014188 1069059702 /nfs/dbraw/zinc/05/97/02/1069059702.db2.gz LTUIFGXCRTUOTR-DEOSSOPVSA-N 0 3 450.495 1.633 20 0 JDADHN COC(=O)CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)CC(C)C ZINC001473133048 1069076606 /nfs/dbraw/zinc/07/66/06/1069076606.db2.gz NPIMLXFJKGYPRN-UHFFFAOYSA-N 0 3 453.605 1.657 20 0 JDADHN O=C(CNC1(CO)CCOCC1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC001473145763 1069080632 /nfs/dbraw/zinc/08/06/32/1069080632.db2.gz MFGNCBCLKXQPLJ-LFIBNONCSA-N 0 3 453.948 1.624 20 0 JDADHN CCS[C@@H]1CCCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001473157910 1069084173 /nfs/dbraw/zinc/08/41/73/1069084173.db2.gz CNHFXIRHXTZCDI-LJQANCHMSA-N 0 3 455.646 1.931 20 0 JDADHN CCN(CC)CC(=O)N1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CC1 ZINC001473154694 1069084439 /nfs/dbraw/zinc/08/44/39/1069084439.db2.gz YNJMDQHKHWVYPB-UHFFFAOYSA-N 0 3 457.619 1.202 20 0 JDADHN CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC001499789185 1069088764 /nfs/dbraw/zinc/08/87/64/1069088764.db2.gz TUWKEKOBPQEKHQ-ITBHCLRTSA-N 0 3 492.665 1.949 20 0 JDADHN O=C(NCCc1cccs1)C1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC001473247142 1069105933 /nfs/dbraw/zinc/10/59/33/1069105933.db2.gz PZJJHGWXPHNUPD-LJQANCHMSA-N 0 3 456.568 1.997 20 0 JDADHN O=C(CNC1(c2ccccc2)CCOCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 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CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CC(=O)N(C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001508235089 1073005952 /nfs/dbraw/zinc/00/59/52/1073005952.db2.gz WTYKGYGBDAILKN-AVRDEDQJSA-N 0 3 459.639 1.757 20 0 JDADHN CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC001508236226 1073006949 /nfs/dbraw/zinc/00/69/49/1073006949.db2.gz ZQODPKKSZUIOBM-RTBURBONSA-N 0 3 455.607 1.994 20 0 JDADHN CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC001508236215 1073007129 /nfs/dbraw/zinc/00/71/29/1073007129.db2.gz ZQODPKKSZUIOBM-MOPGFXCFSA-N 0 3 455.607 1.994 20 0 JDADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001508250942 1073019660 /nfs/dbraw/zinc/01/96/60/1073019660.db2.gz GSSBWQFHISBZRZ-IBGZPJMESA-N 0 3 454.623 1.732 20 0 JDADHN CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 ZINC001508255704 1073024928 /nfs/dbraw/zinc/02/49/28/1073024928.db2.gz USRKYXGKCBMROH-PMACEKPBSA-N 0 3 466.652 1.359 20 0 JDADHN CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)[C@H](C)C1 ZINC001508257030 1073026901 /nfs/dbraw/zinc/02/69/01/1073026901.db2.gz ZRFKCSKANCWOER-QWFCFKBJSA-N 0 3 466.652 1.502 20 0 JDADHN CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC001508265814 1073031334 /nfs/dbraw/zinc/03/13/34/1073031334.db2.gz HVRAXXFMZIMPHD-WMZOPIPTSA-N 0 3 459.620 1.822 20 0 JDADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CCCN3C[C@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508266297 1073031950 /nfs/dbraw/zinc/03/19/50/1073031950.db2.gz ATQAJVHJKBKQAJ-VVSUKSJXSA-N 0 3 475.682 1.890 20 0 JDADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CCCN3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C)CC1 ZINC001508266292 1073032153 /nfs/dbraw/zinc/03/21/53/1073032153.db2.gz ATQAJVHJKBKQAJ-CUDBPUKSSA-N 0 3 475.682 1.890 20 0 JDADHN CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC001508269321 1073037632 /nfs/dbraw/zinc/03/76/32/1073037632.db2.gz UZVIZIXBKOXMLD-UWJYYQICSA-N 0 3 471.581 1.900 20 0 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CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001508339184 1073096441 /nfs/dbraw/zinc/09/64/41/1073096441.db2.gz VUXGIYGCJDACJP-JOCHJYFZSA-N 0 3 482.633 1.312 20 0 JDADHN CC(=O)NC[C@H]1CCCN(c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508347194 1073105352 /nfs/dbraw/zinc/10/53/52/1073105352.db2.gz KFESELCQMGVISP-TZIWHRDSSA-N 0 3 459.639 1.841 20 0 JDADHN CC(=O)NC[C@H]1CCCN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508347188 1073105386 /nfs/dbraw/zinc/10/53/86/1073105386.db2.gz KFESELCQMGVISP-CTNGQTDRSA-N 0 3 459.639 1.841 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001508347939 1073107073 /nfs/dbraw/zinc/10/70/73/1073107073.db2.gz NIDWJHVFJRTEPR-TYPHKJRUSA-N 0 3 453.591 1.885 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)C1 ZINC001508354606 1073117415 /nfs/dbraw/zinc/11/74/15/1073117415.db2.gz QACQMHKTZIWRGS-VQTJNVASSA-N 0 3 468.668 1.652 20 0 JDADHN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)C1 ZINC001508354610 1073117758 /nfs/dbraw/zinc/11/77/58/1073117758.db2.gz QACQMHKTZIWRGS-WOJBJXKFSA-N 0 3 468.668 1.652 20 0 JDADHN CC(=O)NCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001508362469 1073131071 /nfs/dbraw/zinc/13/10/71/1073131071.db2.gz AQTIFKIWZDPJDA-OAQYLSRUSA-N 0 3 471.581 1.853 20 0 JDADHN CC(=O)NCC1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001508364385 1073133199 /nfs/dbraw/zinc/13/31/99/1073133199.db2.gz JRWFVPRIPNRABS-NRFANRHFSA-N 0 3 461.655 1.551 20 0 JDADHN CC(=O)NCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001508364388 1073134286 /nfs/dbraw/zinc/13/42/86/1073134286.db2.gz JRWFVPRIPNRABS-OAQYLSRUSA-N 0 3 461.655 1.551 20 0 JDADHN CC(=O)NCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001508366357 1073134923 /nfs/dbraw/zinc/13/49/23/1073134923.db2.gz TXPBVWIRPDKHPY-SFHVURJKSA-N 0 3 454.641 1.121 20 0 JDADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCSCC3)CCCC2)CCO1 ZINC001508373044 1073149956 /nfs/dbraw/zinc/14/99/56/1073149956.db2.gz YYHRNCDDDAILCS-IBGZPJMESA-N 0 3 493.678 1.119 20 0 JDADHN CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CCO1 ZINC001508381012 1073175943 /nfs/dbraw/zinc/17/59/43/1073175943.db2.gz VXNPDMRBSISLKY-BHDDXSALSA-N 0 3 456.591 1.735 20 0 JDADHN CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508389941 1073199577 /nfs/dbraw/zinc/19/95/77/1073199577.db2.gz ORNHORIMUOHYQY-GOSISDBHSA-N 0 3 474.997 1.263 20 0 JDADHN CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001508398864 1073209497 /nfs/dbraw/zinc/20/94/97/1073209497.db2.gz SGEGBSIEHRLGTP-XXBNENTESA-N 0 3 482.633 1.169 20 0 JDADHN CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001508400003 1073210723 /nfs/dbraw/zinc/21/07/23/1073210723.db2.gz VTHPVCBQDHYSQU-PGRDOPGGSA-N 0 3 487.674 1.836 20 0 JDADHN CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508400975 1073211723 /nfs/dbraw/zinc/21/17/23/1073211723.db2.gz YVVKWHJVJIDADG-UHFFFAOYSA-N 0 3 489.646 1.344 20 0 JDADHN CC(=O)NCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508401684 1073212833 /nfs/dbraw/zinc/21/28/33/1073212833.db2.gz RCSBUBYGDZKGHS-JOCHJYFZSA-N 0 3 483.617 1.435 20 0 JDADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CCN1CCN(C)C(C)(C)C1 ZINC001508429255 1073223928 /nfs/dbraw/zinc/22/39/28/1073223928.db2.gz BLQNHQZTRXELLR-IAGOWNOFSA-N 0 3 451.641 1.557 20 0 JDADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)CN1CCCC1 ZINC001508439658 1073241775 /nfs/dbraw/zinc/24/17/75/1073241775.db2.gz MYOAXLJQHCDMJO-ROUUACIJSA-N 0 3 468.668 1.780 20 0 JDADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CC1(N(C)C)CCOCC1 ZINC001508445191 1073249957 /nfs/dbraw/zinc/24/99/57/1073249957.db2.gz ZINLYJMQCMZCHO-IRXDYDNUSA-N 0 3 452.625 1.652 20 0 JDADHN CC(C)(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508469260 1073263992 /nfs/dbraw/zinc/26/39/92/1073263992.db2.gz YRNXQDAAWLANTP-UHFFFAOYSA-N 0 3 475.638 1.225 20 0 JDADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001508517879 1073272419 /nfs/dbraw/zinc/27/24/19/1073272419.db2.gz YJHNCDKZKSILAB-GOSISDBHSA-N 0 3 466.652 1.145 20 0 JDADHN CC(C)(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001508596448 1073283961 /nfs/dbraw/zinc/28/39/61/1073283961.db2.gz PBCJLBWBDJLING-HXUWFJFHSA-N 0 3 482.695 1.839 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CC1 ZINC001508609504 1073285433 /nfs/dbraw/zinc/28/54/33/1073285433.db2.gz VFSKXSDBPHNRRD-UHFFFAOYSA-N 0 3 497.644 1.985 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)CC1 ZINC001508609475 1073285505 /nfs/dbraw/zinc/28/55/05/1073285505.db2.gz USTSQXNMPDMUSQ-UHFFFAOYSA-N 0 3 473.626 1.246 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)CC1 ZINC001508620087 1073287600 /nfs/dbraw/zinc/28/76/00/1073287600.db2.gz QOMCMWPWPLVFFQ-MOPGFXCFSA-N 0 3 484.667 1.348 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(=O)NCC(F)F)CC1 ZINC001508621425 1073288414 /nfs/dbraw/zinc/28/84/14/1073288414.db2.gz AKJSZFIITABVHY-UHFFFAOYSA-N 0 3 474.516 1.896 20 0 JDADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)F)CC1 ZINC001508623712 1073290557 /nfs/dbraw/zinc/29/05/57/1073290557.db2.gz OYQTUBMICIKUJE-ZDUSSCGKSA-N 0 3 454.519 1.094 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001508623853 1073291037 /nfs/dbraw/zinc/29/10/37/1073291037.db2.gz RRUZYFRQEUMZIC-UHFFFAOYSA-N 0 3 470.603 1.546 20 0 JDADHN CC(C)(C)OC(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001508670850 1073327742 /nfs/dbraw/zinc/32/77/42/1073327742.db2.gz RRFKMKQYRGAFPL-LJQANCHMSA-N 0 3 471.606 1.947 20 0 JDADHN CC(C)(CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001508719934 1073350449 /nfs/dbraw/zinc/35/04/49/1073350449.db2.gz BXQCGVJGQUFGBQ-IAGOWNOFSA-N 0 3 452.625 1.004 20 0 JDADHN CC(C)(CN1CCCC1)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001508721033 1073350949 /nfs/dbraw/zinc/35/09/49/1073350949.db2.gz HZVJNPDWBDPOFZ-IBGZPJMESA-N 0 3 480.679 1.926 20 0 JDADHN CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001508753811 1073357332 /nfs/dbraw/zinc/35/73/32/1073357332.db2.gz IKPBMAZVWGNCFP-WOJBJXKFSA-N 0 3 482.651 1.126 20 0 JDADHN CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001508756641 1073358326 /nfs/dbraw/zinc/35/83/26/1073358326.db2.gz PIASNWCGWXARMR-LJQANCHMSA-N 0 3 454.641 1.745 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001508770077 1073363910 /nfs/dbraw/zinc/36/39/10/1073363910.db2.gz WWWHZVGUUMETTM-RTWAWAEBSA-N 0 3 489.665 1.419 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001508770075 1073363950 /nfs/dbraw/zinc/36/39/50/1073363950.db2.gz WWWHZVGUUMETTM-LEWJYISDSA-N 0 3 489.665 1.419 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC001508770316 1073364145 /nfs/dbraw/zinc/36/41/45/1073364145.db2.gz BHBRULOXNCLKFQ-UXHICEINSA-N 0 3 480.679 1.605 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)CC1 ZINC001508770809 1073364570 /nfs/dbraw/zinc/36/45/70/1073364570.db2.gz FMMJFALQUKVAFE-NHCUHLMSSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001508774946 1073369269 /nfs/dbraw/zinc/36/92/69/1073369269.db2.gz WQQXGLZVHLOWOT-UHFFFAOYSA-N 0 3 468.650 1.595 20 0 JDADHN CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508801324 1073385657 /nfs/dbraw/zinc/38/56/57/1073385657.db2.gz GEVUCMRZDSLGNL-UHFFFAOYSA-N 0 3 475.638 1.111 20 0 JDADHN CC(C)C(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001508806965 1073388949 /nfs/dbraw/zinc/38/89/49/1073388949.db2.gz UAVBOOJZCRMDAO-NHCUHLMSSA-N 0 3 461.655 1.897 20 0 JDADHN CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 ZINC001508813231 1073392447 /nfs/dbraw/zinc/39/24/47/1073392447.db2.gz QNCBMQOTRJSHSN-SFHVURJKSA-N 0 3 468.668 1.511 20 0 JDADHN CC(C)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001508838661 1073410008 /nfs/dbraw/zinc/41/00/08/1073410008.db2.gz OURGJYRXFFUWRJ-WOJBJXKFSA-N 0 3 498.694 1.452 20 0 JDADHN CC(C)c1ncc(CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)cn1 ZINC001508899358 1073446030 /nfs/dbraw/zinc/44/60/30/1073446030.db2.gz YPAHILKBBJJOFJ-UHFFFAOYSA-N 0 3 483.665 1.976 20 0 JDADHN CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001508954097 1073453464 /nfs/dbraw/zinc/45/34/64/1073453464.db2.gz VCEPDMZPBNEDNA-GOSISDBHSA-N 0 3 460.627 1.194 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001508993992 1073465991 /nfs/dbraw/zinc/46/59/91/1073465991.db2.gz YPWIETJRBXLQIJ-FQEVSTJZSA-N 0 3 471.581 1.771 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001508993993 1073467056 /nfs/dbraw/zinc/46/70/56/1073467056.db2.gz YPWIETJRBXLQIJ-HXUWFJFHSA-N 0 3 471.581 1.771 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001508996421 1073468645 /nfs/dbraw/zinc/46/86/45/1073468645.db2.gz MEPPIENNJDFQSM-ZWKOTPCHSA-N 0 3 452.625 1.112 20 0 JDADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001508996536 1073468886 /nfs/dbraw/zinc/46/88/86/1073468886.db2.gz OISKYRPNAHHKGS-FQEVSTJZSA-N 0 3 459.639 1.935 20 0 JDADHN CC(C)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001509000317 1073470798 /nfs/dbraw/zinc/47/07/98/1073470798.db2.gz CTGYLWHSQZZHST-IBGZPJMESA-N 0 3 473.601 1.600 20 0 JDADHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001509015840 1073479010 /nfs/dbraw/zinc/47/90/10/1073479010.db2.gz VYNBNFYJUVENGB-IBGZPJMESA-N 0 3 454.641 1.232 20 0 JDADHN CC(C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCCN1CCOCC1 ZINC001509015821 1073479138 /nfs/dbraw/zinc/47/91/38/1073479138.db2.gz VVRNATKILZSOPG-QHCPKHFHSA-N 0 3 477.698 1.745 20 0 JDADHN CC(C)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC1 ZINC001509062333 1073486416 /nfs/dbraw/zinc/48/64/16/1073486416.db2.gz NRVQFQKCRRDMMF-FQEVSTJZSA-N 0 3 468.668 1.969 20 0 JDADHN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CCN1CC=CCC1 ZINC001509161108 1073515490 /nfs/dbraw/zinc/51/54/90/1073515490.db2.gz RORXKBBULJYCHG-UHFFFAOYSA-N 0 3 471.650 1.679 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCOC[C@H]1CCCO1 ZINC001509207067 1073530423 /nfs/dbraw/zinc/53/04/23/1073530423.db2.gz FKGPVPGETRTZGP-NHCUHLMSSA-N 0 3 462.639 1.805 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001509209241 1073532148 /nfs/dbraw/zinc/53/21/48/1073532148.db2.gz WVUNFJRGOMNRIR-JOCHJYFZSA-N 0 3 481.645 1.970 20 0 JDADHN CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001509222225 1073539900 /nfs/dbraw/zinc/53/99/00/1073539900.db2.gz LLCGXSOSBAMHIM-HXUWFJFHSA-N 0 3 461.655 1.724 20 0 JDADHN CC(C)Cc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001509244926 1073544775 /nfs/dbraw/zinc/54/47/75/1073544775.db2.gz UTFNIFPIVJLKIF-XUVXKRRUSA-N 0 3 459.639 1.476 20 0 JDADHN CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001509259013 1073549524 /nfs/dbraw/zinc/54/95/24/1073549524.db2.gz ALWVOHDQSRZIFU-XUZZJYLKSA-N 0 3 497.706 1.916 20 0 JDADHN CC(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001509265317 1073555328 /nfs/dbraw/zinc/55/53/28/1073555328.db2.gz XNSTXGIRAPXOBN-HXUWFJFHSA-N 0 3 468.668 1.449 20 0 JDADHN CC(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001509343683 1073567367 /nfs/dbraw/zinc/56/73/67/1073567367.db2.gz FEFPAECSXPDJJE-UHFFFAOYSA-N 0 3 458.611 1.486 20 0 JDADHN CC(C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001509350432 1073568626 /nfs/dbraw/zinc/56/86/26/1073568626.db2.gz GETVLTPIHKEDKP-SFHVURJKSA-N 0 3 478.663 1.986 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncn(-c3ccccc3)n2)CC1 ZINC001509402569 1073577278 /nfs/dbraw/zinc/57/72/78/1073577278.db2.gz AMCGBPSKQFPQTE-GOSISDBHSA-N 0 3 487.634 1.295 20 0 JDADHN CC(C)CN1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001509403852 1073579700 /nfs/dbraw/zinc/57/97/00/1073579700.db2.gz INHPKFPWMZNAJT-MSOLQXFVSA-N 0 3 454.641 1.408 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001509404212 1073580545 /nfs/dbraw/zinc/58/05/45/1073580545.db2.gz BLRDHEZAPLWTFO-SFHVURJKSA-N 0 3 487.571 1.555 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001509404308 1073581152 /nfs/dbraw/zinc/58/11/52/1073581152.db2.gz KYRFADDZQMQCAV-DEOSSOPVSA-N 0 3 471.606 1.639 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001509404261 1073581210 /nfs/dbraw/zinc/58/12/10/1073581210.db2.gz BOWRHNDOPMHZNA-SFHVURJKSA-N 0 3 494.687 1.872 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 ZINC001509404336 1073581723 /nfs/dbraw/zinc/58/17/23/1073581723.db2.gz CCIJVGPJXRNEJG-UHFFFAOYSA-N 0 3 452.567 1.218 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nnn(C)n2)CC1 ZINC001509404765 1073581802 /nfs/dbraw/zinc/58/18/02/1073581802.db2.gz MOMRFLPFFJDVOR-UHFFFAOYSA-N 0 3 463.388 1.396 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N(C)C)CC1=O ZINC001509404946 1073582513 /nfs/dbraw/zinc/58/25/13/1073582513.db2.gz NSIRHXLVCIQBLV-IRXDYDNUSA-N 0 3 497.691 1.557 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001509416165 1073592666 /nfs/dbraw/zinc/59/26/66/1073592666.db2.gz YTFGCZPXSLTDOU-RBUKOAKNSA-N 0 3 468.668 1.509 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC(=O)N(C)C)CC1 ZINC001509419614 1073594541 /nfs/dbraw/zinc/59/45/41/1073594541.db2.gz JEDMGERQKPATBS-UHFFFAOYSA-N 0 3 452.563 1.850 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NC(C)C)CC1 ZINC001509422546 1073596837 /nfs/dbraw/zinc/59/68/37/1073596837.db2.gz WYXXDUDSOKEVHO-UHFFFAOYSA-N 0 3 476.651 1.541 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNS(C)(=O)=O)CC1 ZINC001509423548 1073598304 /nfs/dbraw/zinc/59/83/04/1073598304.db2.gz VCSWUIKSPYBMAI-UHFFFAOYSA-N 0 3 459.620 1.764 20 0 JDADHN CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(CO)nn2)CC1 ZINC001509425140 1073599016 /nfs/dbraw/zinc/59/90/16/1073599016.db2.gz ZHKHSBCUVOOOSG-UHFFFAOYSA-N 0 3 456.570 1.960 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2COCCO2)CC1 ZINC001509426072 1073599535 /nfs/dbraw/zinc/59/95/35/1073599535.db2.gz DEBJBRHJBIVJKA-PMACEKPBSA-N 0 3 494.637 1.780 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nccs2)CC1 ZINC001509425555 1073599753 /nfs/dbraw/zinc/59/97/53/1073599753.db2.gz AJAMHTXTXHUTJR-GOSISDBHSA-N 0 3 497.691 1.478 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001509427283 1073601735 /nfs/dbraw/zinc/60/17/35/1073601735.db2.gz IWHYASGOMANTFT-AQNXPRMDSA-N 0 3 468.668 1.825 20 0 JDADHN CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC(N)=O)c2)CC1 ZINC001509428962 1073604427 /nfs/dbraw/zinc/60/44/27/1073604427.db2.gz NMKIJWVLUPOECS-UHFFFAOYSA-N 0 3 463.586 1.954 20 0 JDADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1=O ZINC001509429873 1073605194 /nfs/dbraw/zinc/60/51/94/1073605194.db2.gz QHYLKUPHDXDIPS-FPOVZHCZSA-N 0 3 473.666 1.866 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCOC2)CC1 ZINC001509433084 1073612195 /nfs/dbraw/zinc/61/21/95/1073612195.db2.gz IBUWPOWQNZDZIC-GLDPYIMESA-N 0 3 478.638 1.978 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN2CCCC2)CC1=O ZINC001509433279 1073612971 /nfs/dbraw/zinc/61/29/71/1073612971.db2.gz WKPLWRWPDFAORH-LJQANCHMSA-N 0 3 480.679 1.607 20 0 JDADHN CC(C)CN1CCO[C@H](Cn2c(C(C)C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC001509433521 1073614962 /nfs/dbraw/zinc/61/49/62/1073614962.db2.gz JMLRJOYDLAPWQJ-QFIPXVFZSA-N 0 3 475.682 1.893 20 0 JDADHN CC(C)CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001509474539 1073643971 /nfs/dbraw/zinc/64/39/71/1073643971.db2.gz ZYUPKSCHNVZMIP-WOJBJXKFSA-N 0 3 484.667 1.348 20 0 JDADHN CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001509474532 1073644244 /nfs/dbraw/zinc/64/42/44/1073644244.db2.gz ZYUPKSCHNVZMIP-UXHICEINSA-N 0 3 484.667 1.348 20 0 JDADHN CC(C)COCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001509477950 1073644708 /nfs/dbraw/zinc/64/47/08/1073644708.db2.gz RHJAXTUQKQVCSG-OAQYLSRUSA-N 0 3 462.639 1.979 20 0 JDADHN CC(C)N(C)C(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001509502767 1073652263 /nfs/dbraw/zinc/65/22/63/1073652263.db2.gz GUJNAHFBWGQSRE-HXUWFJFHSA-N 0 3 488.681 1.338 20 0 JDADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)C(C)C ZINC001509546475 1073672794 /nfs/dbraw/zinc/67/27/94/1073672794.db2.gz KBHUGUYKSXLPLB-MJGOQNOKSA-N 0 3 481.667 1.339 20 0 JDADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)C(C)C ZINC001509546472 1073672835 /nfs/dbraw/zinc/67/28/35/1073672835.db2.gz KBHUGUYKSXLPLB-HKUYNNGSSA-N 0 3 481.667 1.339 20 0 JDADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1)C(C)C ZINC001509545265 1073672904 /nfs/dbraw/zinc/67/29/04/1073672904.db2.gz FKYZWQDKLGUPAP-LJQANCHMSA-N 0 3 492.646 1.854 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001509559067 1073681985 /nfs/dbraw/zinc/68/19/85/1073681985.db2.gz CIARSSABWOTSHF-PMACEKPBSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)N1CCN([C@H]2CCN(c3nnc(Cc4cccnc4)n3CC(=O)NCC(F)F)C2)CC1 ZINC001509578307 1073697701 /nfs/dbraw/zinc/69/77/01/1073697701.db2.gz FXDJYGZBKQQQTL-IBGZPJMESA-N 0 3 476.576 1.250 20 0 JDADHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4cnccn4)n3CCNC(=O)C(C)(C)C)C2)CC1 ZINC001509582980 1073708689 /nfs/dbraw/zinc/70/86/89/1073708689.db2.gz XMQIQWOGMDCEHK-IBGZPJMESA-N 0 3 469.638 1.502 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@]1(N(C)C)CCSC1 ZINC001509601503 1073725616 /nfs/dbraw/zinc/72/56/16/1073725616.db2.gz IJOUPZOLGRRBOU-LJQANCHMSA-N 0 3 471.582 1.347 20 0 JDADHN CCCN(CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001500778124 1069309720 /nfs/dbraw/zinc/30/97/20/1069309720.db2.gz CRBYNZGADCNODC-FQEVSTJZSA-N 0 3 476.647 1.601 20 0 JDADHN C[C@@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000049803283 563204135 /nfs/dbraw/zinc/20/41/35/563204135.db2.gz UGQUCVVGSDRFLR-MRXNPFEDSA-N 0 3 462.572 1.153 20 0 JDADHN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4NCCO[C@@H]4C3)c2c1C ZINC001164391022 718824687 /nfs/dbraw/zinc/82/46/87/718824687.db2.gz SFKGJMAGKORXFK-HZPDHXFCSA-N 0 3 461.588 1.576 20 0 JDADHN CN(C)c1nccc(N2CCOC[C@]3(CCCN(c4cccc(N5CCN(C)CC5)n4)C3)C2)n1 ZINC001164664933 719356983 /nfs/dbraw/zinc/35/69/83/719356983.db2.gz STAQCPPMRNVSHI-VWLOTQADSA-N 0 3 466.634 1.813 20 0 JDADHN CS(=O)(=O)N1CC[C@]2(C(=O)N3CCOCC3)CCN(c3ncccc3CN3CCCC3)CC[C@H]12 ZINC001164694104 719834082 /nfs/dbraw/zinc/83/40/82/719834082.db2.gz DSIHGYJLLPOEHK-XUZZJYLKSA-N 0 3 491.658 1.157 20 0 JDADHN CN(Cc1ccc(N2CCOC[C@@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)nc1)C1CC1 ZINC001164818705 720274272 /nfs/dbraw/zinc/27/42/72/720274272.db2.gz MHJPDBLEYDISTB-GBXCKJPGSA-N 0 3 452.559 1.650 20 0 JDADHN O=C(NC[C@H]1CC[C@@]2(COCCN(c3ncccc3CN3CCCC3)C2)O1)c1cnccn1 ZINC001164817270 720276321 /nfs/dbraw/zinc/27/63/21/720276321.db2.gz BXSDZVUTWHJEBH-HYBUGGRVSA-N 0 3 452.559 1.652 20 0 JDADHN COC(=O)c1cc2c(ncnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)[nH]1 ZINC001164826585 720362085 /nfs/dbraw/zinc/36/20/85/720362085.db2.gz XGVPYMKFEKYJDF-UHFFFAOYSA-N 0 3 469.571 1.774 20 0 JDADHN COC(=O)c1c[nH]c2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CCN4C)c12 ZINC001164819354 720372866 /nfs/dbraw/zinc/37/28/66/720372866.db2.gz DIWOELQIVACZIH-UHFFFAOYSA-N 0 3 469.571 1.823 20 0 JDADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cccc(N3CCN(C)CC3)n1)C2 ZINC001164828769 720461207 /nfs/dbraw/zinc/46/12/07/720461207.db2.gz AMMGTGCSBNALMY-HXUWFJFHSA-N 0 3 455.607 1.020 20 0 JDADHN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744362 720720748 /nfs/dbraw/zinc/72/07/48/720720748.db2.gz ZNIMKVQRQYCRQC-UONOGXRCSA-N 0 3 458.910 1.175 20 0 JDADHN CCOC(=O)C1CCN(c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)CC1 ZINC001164747109 720727634 /nfs/dbraw/zinc/72/76/34/720727634.db2.gz ZXFZTDAFQIKRGT-RTBURBONSA-N 0 3 453.547 1.388 20 0 JDADHN CC(=O)Oc1cc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC(C)=O ZINC001164740397 720734082 /nfs/dbraw/zinc/73/40/82/720734082.db2.gz KSVRLQHWBLEJNI-SJORKVTESA-N 0 3 464.482 1.612 20 0 JDADHN CC(=O)Oc1cc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC(C)=O ZINC001164740394 720734587 /nfs/dbraw/zinc/73/45/87/720734587.db2.gz KSVRLQHWBLEJNI-DLBZAZTESA-N 0 3 464.482 1.612 20 0 JDADHN c1ccc(N2CCN(c3cc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)ncn3)CC2)cc1 ZINC001164747500 720785883 /nfs/dbraw/zinc/78/58/83/720785883.db2.gz OJQOEPOTPFRROU-YADHBBJMSA-N 0 3 458.570 1.935 20 0 JDADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)CCN3C2)c1 ZINC001164868752 721059792 /nfs/dbraw/zinc/05/97/92/721059792.db2.gz QGTDQTOFWLTBQX-FCHUYYIVSA-N 0 3 481.601 1.025 20 0 JDADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)CCN3C2)c1 ZINC001164868754 721060399 /nfs/dbraw/zinc/06/03/99/721060399.db2.gz QGTDQTOFWLTBQX-FGZHOGPDSA-N 0 3 481.601 1.025 20 0 JDADHN c1nc2c(nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2N2CCOCC2)s1 ZINC001164869521 721068248 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CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCCO)C[C@@H]1C ZINC001502257258 1069951352 /nfs/dbraw/zinc/95/13/52/1069951352.db2.gz IMKNTOJPNQCHPQ-FHWLQOOXSA-N 0 3 472.656 1.083 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)n2)C[C@@H]1C ZINC001502257540 1069952834 /nfs/dbraw/zinc/95/28/34/1069952834.db2.gz MAJJETDJGCHYML-IRFCIJBXSA-N 0 3 491.662 1.476 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)n2)C[C@@H]1C ZINC001502257542 1069953799 /nfs/dbraw/zinc/95/37/99/1069953799.db2.gz MAJJETDJGCHYML-ZJOUEHCJSA-N 0 3 491.662 1.476 20 0 JDADHN CCN1C[C@H](C)N(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC001502257903 1069955331 /nfs/dbraw/zinc/95/53/31/1069955331.db2.gz QUADBMGMTVNNJB-ABSDTBQOSA-N 0 3 478.619 1.601 20 0 JDADHN CN(C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)C1CCN(CCc2ccccn2)CC1 ZINC001478303261 1069956845 /nfs/dbraw/zinc/95/68/45/1069956845.db2.gz JHGKUQFWTPRWCZ-UGKGYDQZSA-N 0 3 450.605 1.466 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(CC3CC3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C ZINC001502259232 1069956945 /nfs/dbraw/zinc/95/69/45/1069956945.db2.gz JUXKPQUZFOROEH-JKSUJKDBSA-N 0 3 451.597 1.257 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(CC3CC3)n2CCNS(=O)(=O)Cc2ccon2)C[C@H]1C ZINC001502259231 1069957662 /nfs/dbraw/zinc/95/76/62/1069957662.db2.gz JUXKPQUZFOROEH-HZPDHXFCSA-N 0 3 451.597 1.257 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001502262239 1069963842 /nfs/dbraw/zinc/96/38/42/1069963842.db2.gz VTEACXLXYSBOPN-HZPDHXFCSA-N 0 3 479.427 1.979 20 0 JDADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)C[C@H]1C ZINC001502262472 1069965912 /nfs/dbraw/zinc/96/59/12/1069965912.db2.gz ZKIXWOQAMKWGCG-RTBURBONSA-N 0 3 475.663 1.911 20 0 JDADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)O1 ZINC001478327647 1069966432 /nfs/dbraw/zinc/96/64/32/1069966432.db2.gz HJYPDDCERYDTPP-ACRUOGEOSA-N 0 3 458.607 1.261 20 0 JDADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)O1 ZINC001478327653 1069966608 /nfs/dbraw/zinc/96/66/08/1069966608.db2.gz HJYPDDCERYDTPP-NJYVYQBISA-N 0 3 458.607 1.261 20 0 JDADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502264105 1069971497 /nfs/dbraw/zinc/97/14/97/1069971497.db2.gz VAMOJRJRBPUAGT-IRXDYDNUSA-N 0 3 466.608 1.334 20 0 JDADHN CCN1CC[C@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001502272549 1069997944 /nfs/dbraw/zinc/99/79/44/1069997944.db2.gz YHQFQHLMEIDQCE-FUHWJXTLSA-N 0 3 493.630 1.936 20 0 JDADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001502281013 1070011738 /nfs/dbraw/zinc/01/17/38/1070011738.db2.gz AGWINTXKAZEMPT-QZTJIDSGSA-N 0 3 490.634 1.175 20 0 JDADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001502282291 1070015837 /nfs/dbraw/zinc/01/58/37/1070015837.db2.gz VQDLXINHOGHGJZ-SFHVURJKSA-N 0 3 471.610 1.334 20 0 JDADHN CCN1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001502282492 1070017522 /nfs/dbraw/zinc/01/75/22/1070017522.db2.gz YVPMMHNMDLKVAV-IBGZPJMESA-N 0 3 489.024 1.807 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502291797 1070031725 /nfs/dbraw/zinc/03/17/25/1070031725.db2.gz HSGQHXFXQICKQI-NNWRFLSQSA-N 0 3 488.681 1.280 20 0 JDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC001478604778 1070029061 /nfs/dbraw/zinc/02/90/61/1070029061.db2.gz BYWVYJLXBJIYSP-UHFFFAOYSA-N 0 3 452.987 1.468 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001502291511 1070029705 /nfs/dbraw/zinc/02/97/05/1070029705.db2.gz BSQWEYGFTBHEQU-LJQANCHMSA-N 0 3 486.621 1.986 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001502291733 1070030600 /nfs/dbraw/zinc/03/06/00/1070030600.db2.gz GNFFUFXPIWRCNA-XXBNENTESA-N 0 3 458.611 1.776 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001502291795 1070031425 /nfs/dbraw/zinc/03/14/25/1070031425.db2.gz HSGQHXFXQICKQI-FCEUIQTBSA-N 0 3 488.681 1.280 20 0 JDADHN C[C@@H]1CN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)CC[C@H]1N1CCN(C)CC1 ZINC001478627749 1070034069 /nfs/dbraw/zinc/03/40/69/1070034069.db2.gz MHWPWQLBKFJCOS-VAMGGRTRSA-N 0 3 453.628 1.680 20 0 JDADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001502292297 1070034236 /nfs/dbraw/zinc/03/42/36/1070034236.db2.gz OWLJEIFAIOESIP-HXUWFJFHSA-N 0 3 498.632 1.779 20 0 JDADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001502292785 1070035990 /nfs/dbraw/zinc/03/59/90/1070035990.db2.gz XKSLGWPDFMXILP-SFHVURJKSA-N 0 3 490.634 1.318 20 0 JDADHN CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1=O ZINC001502305927 1070057227 /nfs/dbraw/zinc/05/72/27/1070057227.db2.gz ILMLQLOBGDKIQC-OALUTQOASA-N 0 3 466.652 1.359 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001502309398 1070065713 /nfs/dbraw/zinc/06/57/13/1070065713.db2.gz DHPQTYMDUJPQBM-FCGDIQPGSA-N 0 3 455.673 1.397 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@H](C3CCC3)C2)CC1 ZINC001502309267 1070066082 /nfs/dbraw/zinc/06/60/82/1070066082.db2.gz ASWXHZKJWPGGMK-SVFBPWRDSA-N 0 3 497.710 1.167 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001502309399 1070066371 /nfs/dbraw/zinc/06/63/71/1070066371.db2.gz DHPQTYMDUJPQBM-HCXYKTFWSA-N 0 3 455.673 1.397 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001502309929 1070069530 /nfs/dbraw/zinc/06/95/30/1070069530.db2.gz PBJIBYRPXDNKOF-CZSZKKDXSA-N 0 3 494.681 1.802 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001502309931 1070069794 /nfs/dbraw/zinc/06/97/94/1070069794.db2.gz PBJIBYRPXDNKOF-OTPAQWSUSA-N 0 3 494.681 1.802 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001502310043 1070069962 /nfs/dbraw/zinc/06/99/62/1070069962.db2.gz RHDCTSXAUNODRG-QZTJIDSGSA-N 0 3 492.587 1.922 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)CC1 ZINC001502310006 1070070016 /nfs/dbraw/zinc/07/00/16/1070070016.db2.gz QUGKYQFXKZDUBU-ZWKOTPCHSA-N 0 3 491.662 1.183 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 ZINC001502309433 1070067389 /nfs/dbraw/zinc/06/73/89/1070067389.db2.gz FMHHYONDLAQCQJ-IBGZPJMESA-N 0 3 484.649 1.969 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)OC)CC1 ZINC001502310921 1070075847 /nfs/dbraw/zinc/07/58/47/1070075847.db2.gz JFFAODOGKQJKFG-KRWDZBQOSA-N 0 3 465.624 1.219 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502310622 1070074918 /nfs/dbraw/zinc/07/49/18/1070074918.db2.gz CTOPRMAQWQTGRZ-OAHLLOKOSA-N 0 3 479.427 1.340 20 0 JDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001479004702 1070079044 /nfs/dbraw/zinc/07/90/44/1070079044.db2.gz KJYDSSVJSCRFDJ-LJQANCHMSA-N 0 3 454.568 1.485 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502311400 1070079185 /nfs/dbraw/zinc/07/91/85/1070079185.db2.gz RTZIHYOQUJOILU-YSZBQJHXSA-N 0 3 488.633 1.838 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502310923 1070076916 /nfs/dbraw/zinc/07/69/16/1070076916.db2.gz JGGSBGHYEFNMLD-DLBZAZTESA-N 0 3 461.014 1.686 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310943 1070077037 /nfs/dbraw/zinc/07/70/37/1070077037.db2.gz JPSZKPJWXAMJDD-ICSRJNTNSA-N 0 3 455.607 1.681 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502310926 1070077746 /nfs/dbraw/zinc/07/77/46/1070077746.db2.gz JGGSBGHYEFNMLD-SJORKVTESA-N 0 3 461.014 1.686 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC001502312888 1070084374 /nfs/dbraw/zinc/08/43/74/1070084374.db2.gz UQVDZURAHFAMPC-ZWKOTPCHSA-N 0 3 483.587 1.777 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502311734 1070080834 /nfs/dbraw/zinc/08/08/34/1070080834.db2.gz YPGPOBCRXHSBAG-OALUTQOASA-N 0 3 455.607 1.647 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502312477 1070083227 /nfs/dbraw/zinc/08/32/27/1070083227.db2.gz MYUJZIZXNWTABU-FQEVSTJZSA-N 0 3 459.614 1.879 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001502312436 1070083354 /nfs/dbraw/zinc/08/33/54/1070083354.db2.gz MBQZFHBRBJNNKE-LJQANCHMSA-N 0 3 492.694 1.170 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502312305 1070083416 /nfs/dbraw/zinc/08/34/16/1070083416.db2.gz JSXHZQOUJQKROG-IBGZPJMESA-N 0 3 457.627 1.009 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001502312642 1070084107 /nfs/dbraw/zinc/08/41/07/1070084107.db2.gz PTHOLXZIXPTDFE-UXHICEINSA-N 0 3 475.663 1.441 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CCCOC)CC1 ZINC001502312890 1070085367 /nfs/dbraw/zinc/08/53/67/1070085367.db2.gz USEWAPBFVXAFEM-LJQANCHMSA-N 0 3 482.633 1.691 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CCCOC)CC1 ZINC001502312889 1070085408 /nfs/dbraw/zinc/08/54/08/1070085408.db2.gz USEWAPBFVXAFEM-IBGZPJMESA-N 0 3 482.633 1.691 20 0 JDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001479077456 1070085572 /nfs/dbraw/zinc/08/55/72/1070085572.db2.gz XUGOSTXASOZXJE-QZTJIDSGSA-N 0 3 451.612 1.970 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC(C)C)C(C)C)CC1 ZINC001502313481 1070088896 /nfs/dbraw/zinc/08/88/96/1070088896.db2.gz FLBYYOBNGVWCCD-RTWAWAEBSA-N 0 3 499.726 1.508 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](OCCOC)C2)CC1 ZINC001502313008 1070086160 /nfs/dbraw/zinc/08/61/60/1070086160.db2.gz WKMYGIKQLRMXOB-TZIWHRDSSA-N 0 3 460.627 1.336 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502313303 1070086607 /nfs/dbraw/zinc/08/66/07/1070086607.db2.gz BVTAHLDBVFPNOV-NRFANRHFSA-N 0 3 473.641 1.802 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001502313094 1070086717 /nfs/dbraw/zinc/08/67/17/1070086717.db2.gz XUHODVKRGMZPRS-SFHVURJKSA-N 0 3 455.611 1.208 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC(C)C)C(C)C)CC1 ZINC001502313480 1070089212 /nfs/dbraw/zinc/08/92/12/1070089212.db2.gz FLBYYOBNGVWCCD-NHCUHLMSSA-N 0 3 499.726 1.508 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001502313716 1070089736 /nfs/dbraw/zinc/08/97/36/1070089736.db2.gz JNSZDMYRJDIZNF-NHCUHLMSSA-N 0 3 475.682 1.720 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502313690 1070090028 /nfs/dbraw/zinc/09/00/28/1070090028.db2.gz JCZIRFWILHVHNW-SFHVURJKSA-N 0 3 467.684 1.480 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502313810 1070090759 /nfs/dbraw/zinc/09/07/59/1070090759.db2.gz KTCXWNNSFZTXRM-SFTDATJTSA-N 0 3 461.655 1.850 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001502313840 1070091159 /nfs/dbraw/zinc/09/11/59/1070091159.db2.gz LCDLJWYXYODKIR-KNQAVFIVSA-N 0 3 485.633 1.777 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502313808 1070091197 /nfs/dbraw/zinc/09/11/97/1070091197.db2.gz KTCXWNNSFZTXRM-NHCUHLMSSA-N 0 3 461.655 1.850 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001502313839 1070091638 /nfs/dbraw/zinc/09/16/38/1070091638.db2.gz LCDLJWYXYODKIR-DENIHFKCSA-N 0 3 485.633 1.777 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001502314227 1070092072 /nfs/dbraw/zinc/09/20/72/1070092072.db2.gz RMBMGLAUCBTBPB-NJYVYQBISA-N 0 3 497.710 1.262 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001502314226 1070092396 /nfs/dbraw/zinc/09/23/96/1070092396.db2.gz RMBMGLAUCBTBPB-NJDAHSKKSA-N 0 3 497.710 1.262 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001502314648 1070094359 /nfs/dbraw/zinc/09/43/59/1070094359.db2.gz YLZOQHLBEDREKK-SLFFLAALSA-N 0 3 477.654 1.911 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CCOC)CC1 ZINC001502314624 1070094519 /nfs/dbraw/zinc/09/45/19/1070094519.db2.gz YBCFYQWWCUDPAO-HXUWFJFHSA-N 0 3 471.654 1.561 20 0 JDADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001479149378 1070094942 /nfs/dbraw/zinc/09/49/42/1070094942.db2.gz OZNKEECYTSFYFF-LJQANCHMSA-N 0 3 455.353 1.744 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC001502314671 1070095467 /nfs/dbraw/zinc/09/54/67/1070095467.db2.gz YTWLJQNVQHXPLB-NRFANRHFSA-N 0 3 468.650 1.860 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502314862 1070095832 /nfs/dbraw/zinc/09/58/32/1070095832.db2.gz CGXWLYFKOMCEIK-OAQYLSRUSA-N 0 3 471.654 1.224 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502314871 1070095924 /nfs/dbraw/zinc/09/59/24/1070095924.db2.gz CMIDHIRYARMQEJ-IBGZPJMESA-N 0 3 488.706 1.964 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502314893 1070096838 /nfs/dbraw/zinc/09/68/38/1070096838.db2.gz CSPZTENDYXKNPS-NRFANRHFSA-N 0 3 469.634 1.826 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502315040 1070097139 /nfs/dbraw/zinc/09/71/39/1070097139.db2.gz FXRZBAWBFXPKLS-SFTDATJTSA-N 0 3 499.660 1.854 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001502314971 1070097259 /nfs/dbraw/zinc/09/72/59/1070097259.db2.gz DWXPBBSFSQTFEC-NRFANRHFSA-N 0 3 482.677 1.985 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001502315061 1070097311 /nfs/dbraw/zinc/09/73/11/1070097311.db2.gz GNUMKNHDKPSECL-VSKRKVRLSA-N 0 3 474.654 1.406 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502314976 1070097427 /nfs/dbraw/zinc/09/74/27/1070097427.db2.gz DYWYAXHZGZCHKN-IEBWSBKVSA-N 0 3 474.679 1.622 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cnccn2)CC1 ZINC001502315232 1070099259 /nfs/dbraw/zinc/09/92/59/1070099259.db2.gz JOOBTSCSHAXTOR-SFHVURJKSA-N 0 3 483.646 1.722 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001502315291 1070099464 /nfs/dbraw/zinc/09/94/64/1070099464.db2.gz KRDCMZVGTCWVCG-IBGZPJMESA-N 0 3 454.623 1.252 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502315349 1070099622 /nfs/dbraw/zinc/09/96/22/1070099622.db2.gz MBNAEUSJVJIJQP-AZUAARDMSA-N 0 3 467.684 1.022 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](OCC(C)C)C2)CC1 ZINC001502315451 1070100744 /nfs/dbraw/zinc/10/07/44/1070100744.db2.gz ODKAQYHTQHVORH-RTWAWAEBSA-N 0 3 461.655 1.678 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502315514 1070102878 /nfs/dbraw/zinc/10/28/78/1070102878.db2.gz PHTGLOYQFDCZDJ-JTHBVZDNSA-N 0 3 499.660 1.451 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502315668 1070104476 /nfs/dbraw/zinc/10/44/76/1070104476.db2.gz SGSLYISRMIPKLO-NLFFAJNJSA-N 0 3 469.634 1.893 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502315805 1070105795 /nfs/dbraw/zinc/10/57/95/1070105795.db2.gz VEGFMCAEQJJHAL-FYYLOGMGSA-N 0 3 485.681 1.470 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502315808 1070106236 /nfs/dbraw/zinc/10/62/36/1070106236.db2.gz VEGFMCAEQJJHAL-JTHBVZDNSA-N 0 3 485.681 1.470 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502315822 1070106713 /nfs/dbraw/zinc/10/67/13/1070106713.db2.gz VHZJAXFNZVQKIL-IEBWSBKVSA-N 0 3 474.679 1.752 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCNC(=O)CC2)CC1 ZINC001502315919 1070107730 /nfs/dbraw/zinc/10/77/30/1070107730.db2.gz WRUOCPZYUAMRIX-GOSISDBHSA-N 0 3 459.570 1.349 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001502315888 1070108304 /nfs/dbraw/zinc/10/83/04/1070108304.db2.gz WFEDKBLFBKGHTR-GUDVDZBRSA-N 0 3 475.663 1.909 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502316102 1070109631 /nfs/dbraw/zinc/10/96/31/1070109631.db2.gz ZKMNPACFPNANCF-CPJSRVTESA-N 0 3 453.635 1.791 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(CCOC(C)C)CC2)CC1 ZINC001502316602 1070114789 /nfs/dbraw/zinc/11/47/89/1070114789.db2.gz MVSLXIMMCWASNH-FCHUYYIVSA-N 0 3 463.671 1.703 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001502315994 1070110258 /nfs/dbraw/zinc/11/02/58/1070110258.db2.gz XWERJEXUNAAILN-OAQYLSRUSA-N 0 3 493.660 1.901 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502315974 1070110415 /nfs/dbraw/zinc/11/04/15/1070110415.db2.gz XIQPEWBPZBNBCU-IRLDBZIGSA-N 0 3 485.633 1.143 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001502316194 1070111831 /nfs/dbraw/zinc/11/18/31/1070111831.db2.gz BUFSFBRBYBXDDT-BURNTYAHSA-N 0 3 450.628 1.643 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001502316136 1070112251 /nfs/dbraw/zinc/11/22/51/1070112251.db2.gz AGVCZMCQTNKXRH-SFHLNBCPSA-N 0 3 461.655 1.549 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502316103 1070112397 /nfs/dbraw/zinc/11/23/97/1070112397.db2.gz ZKMNPACFPNANCF-NBGIEHNGSA-N 0 3 453.635 1.791 20 0 JDADHN C[C@@H](O)CN1CCN(C(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001479248391 1070112378 /nfs/dbraw/zinc/11/23/78/1070112378.db2.gz WQHHGEBSBCIKGT-VQTJNVASSA-N 0 3 455.644 1.806 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502316295 1070113229 /nfs/dbraw/zinc/11/32/29/1070113229.db2.gz FJTZMULQLANIST-PCCBWWKXSA-N 0 3 497.710 1.263 20 0 JDADHN CCN(CC)C(=O)CN1CCCN(c2nnc(C)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 ZINC001502316500 1070113292 /nfs/dbraw/zinc/11/32/92/1070113292.db2.gz KXMRFLRLTHWXQL-UHFFFAOYSA-N 0 3 497.692 1.552 20 0 JDADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001502316471 1070113828 /nfs/dbraw/zinc/11/38/28/1070113828.db2.gz JWTWTANAAGUDLS-WCIQWLHISA-N 0 3 452.669 1.970 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001502316622 1070115251 /nfs/dbraw/zinc/11/52/51/1070115251.db2.gz NFXVGIYDVUONEH-WOZUAGRISA-N 0 3 450.628 1.643 20 0 JDADHN CCN1CCN([C@H](C)Cn2c(N3CC(C)(OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502316739 1070116601 /nfs/dbraw/zinc/11/66/01/1070116601.db2.gz PXQOPBVCTVJDQR-AUSIDOKSSA-N 0 3 450.628 1.570 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(N3CC(C)(OC)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502316740 1070116703 /nfs/dbraw/zinc/11/67/03/1070116703.db2.gz PXQOPBVCTVJDQR-CVDCTZTESA-N 0 3 450.628 1.570 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c(N3CCC4(CC3)NC(=O)N(C)C4=O)nnc2C(C)(C)C)CC1 ZINC001502316766 1070116748 /nfs/dbraw/zinc/11/67/48/1070116748.db2.gz QXAFLICXWMUOEA-KRWDZBQOSA-N 0 3 460.627 1.122 20 0 JDADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001502317017 1070117450 /nfs/dbraw/zinc/11/74/50/1070117450.db2.gz XKEXYDRCNVTULC-CMOCDZPBSA-N 0 3 464.655 1.889 20 0 JDADHN CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N2CCC(C)(N3CCOCC3)CC2)CC1 ZINC001479293847 1070123489 /nfs/dbraw/zinc/12/34/89/1070123489.db2.gz MOXSAKUAKWUQAP-UHFFFAOYSA-N 0 3 453.628 1.872 20 0 JDADHN CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502318248 1070128372 /nfs/dbraw/zinc/12/83/72/1070128372.db2.gz XLPPKEXKBUZOEZ-XWSJACJDSA-N 0 3 485.699 1.307 20 0 JDADHN CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502318249 1070128865 /nfs/dbraw/zinc/12/88/65/1070128865.db2.gz XLPPKEXKBUZOEZ-YRXWBPOGSA-N 0 3 485.699 1.307 20 0 JDADHN CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001502318198 1070125539 /nfs/dbraw/zinc/12/55/39/1070125539.db2.gz WGNIKYQSZLGBBL-UXHICEINSA-N 0 3 470.622 1.813 20 0 JDADHN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCN(C)[C@@H]3C)CC2)cc1OCC ZINC001479374005 1070137142 /nfs/dbraw/zinc/13/71/42/1070137142.db2.gz APYNFEBIOCRMJF-SJLPKXTDSA-N 0 3 454.593 1.593 20 0 JDADHN O=C(NC[C@@H]1CCN1C1CCOCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC001479419877 1070144644 /nfs/dbraw/zinc/14/46/44/1070144644.db2.gz JOTWJMKNRLNRBE-SFHVURJKSA-N 0 3 456.996 1.609 20 0 JDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001479524406 1070160044 /nfs/dbraw/zinc/16/00/44/1070160044.db2.gz NJDSCROTJSSAFB-HNNXBMFYSA-N 0 3 452.581 1.938 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccco3)N(C)C)C2)CC1 ZINC001502332070 1070169233 /nfs/dbraw/zinc/16/92/33/1070169233.db2.gz CJTGAIAIGGWMSW-WOJBJXKFSA-N 0 3 472.638 1.528 20 0 JDADHN CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCOCC2)C[C@@H]1C ZINC001502332086 1070170136 /nfs/dbraw/zinc/17/01/36/1070170136.db2.gz CUCYFWNRERHDKY-ACRUOGEOSA-N 0 3 450.628 1.645 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(=O)NC(C)C)C2)CC1 ZINC001502333712 1070179009 /nfs/dbraw/zinc/17/90/09/1070179009.db2.gz PHQLFBOVGRNOKZ-QGZVFWFLSA-N 0 3 493.454 1.777 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)C)n3CC(=O)NCCc3ccccc3)C2)CC1 ZINC001502333670 1070179998 /nfs/dbraw/zinc/17/99/98/1070179998.db2.gz OIQRFRTZLLUGDF-JOCHJYFZSA-N 0 3 453.635 1.977 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCOC)C2)CC1 ZINC001502334216 1070182683 /nfs/dbraw/zinc/18/26/83/1070182683.db2.gz CKFQBWBRFLQDBP-LJQANCHMSA-N 0 3 462.620 1.211 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccnc4)n3CC(=O)NCC(F)(F)F)C2)CC1 ZINC001502334167 1070183525 /nfs/dbraw/zinc/18/35/25/1070183525.db2.gz BBDALXQMIRHLDD-KRWDZBQOSA-N 0 3 466.512 1.235 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCOC)C2)CC1 ZINC001502334215 1070182975 /nfs/dbraw/zinc/18/29/75/1070182975.db2.gz CKFQBWBRFLQDBP-IBGZPJMESA-N 0 3 462.620 1.211 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3CCCNC(C)=O)C2)CC1 ZINC001502335759 1070197992 /nfs/dbraw/zinc/19/79/92/1070197992.db2.gz QCWLLQQOVHIZRF-OAQYLSRUSA-N 0 3 457.598 1.750 20 0 JDADHN Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001493050914 1070193460 /nfs/dbraw/zinc/19/34/60/1070193460.db2.gz CHQHDUFYAROKCI-GDBMZVCRSA-N 0 3 481.623 1.231 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CC(=O)NCc3ccco3)C2)CC1 ZINC001502335278 1070194567 /nfs/dbraw/zinc/19/45/67/1070194567.db2.gz FERSCKVDACZAPW-LJQANCHMSA-N 0 3 457.623 1.992 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC001502335686 1070198135 /nfs/dbraw/zinc/19/81/35/1070198135.db2.gz NYPPDXIHVIEXOM-VQTJNVASSA-N 0 3 467.684 1.117 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@@H](COC)OC)C2)CC1 ZINC001502335727 1070198284 /nfs/dbraw/zinc/19/82/84/1070198284.db2.gz OZIVLWOJJQXZEA-RTWAWAEBSA-N 0 3 460.598 1.886 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@H](COC)OC)C2)CC1 ZINC001502335725 1070197144 /nfs/dbraw/zinc/19/71/44/1070197144.db2.gz OZIVLWOJJQXZEA-LEWJYISDSA-N 0 3 460.598 1.886 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4F)n3CCCNC(C)=O)C2)CC1 ZINC001502335758 1070197246 /nfs/dbraw/zinc/19/72/46/1070197246.db2.gz QCWLLQQOVHIZRF-NRFANRHFSA-N 0 3 457.598 1.750 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3C[C@@H](COC)OC)C2)CC1 ZINC001502335617 1070197438 /nfs/dbraw/zinc/19/74/38/1070197438.db2.gz MVQABERPQRPQAJ-RTWAWAEBSA-N 0 3 460.627 1.017 20 0 JDADHN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001502336118 1070199738 /nfs/dbraw/zinc/19/97/38/1070199738.db2.gz VMUCLUNQADIISO-VQTJNVASSA-N 0 3 477.654 1.865 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC001502337067 1070200911 /nfs/dbraw/zinc/20/09/11/1070200911.db2.gz ABEHQVOOZOJNHG-IBGZPJMESA-N 0 3 454.623 1.286 20 0 JDADHN CCN1CCN([C@H]2CCN(c3nnc(CCc4ccc(OC)cc4)n3CC(=O)NC(C)C)C2)CC1 ZINC001502336280 1070201168 /nfs/dbraw/zinc/20/11/68/1070201168.db2.gz XEXNGMGXWGEATB-QFIPXVFZSA-N 0 3 483.661 1.813 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccnn3C)CC2)CC1 ZINC001502337272 1070202765 /nfs/dbraw/zinc/20/27/65/1070202765.db2.gz FLINWBNPNLXZLZ-HXUWFJFHSA-N 0 3 485.681 1.807 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001502337418 1070203858 /nfs/dbraw/zinc/20/38/58/1070203858.db2.gz HSORLRPBXLMVNP-UFYCRDLUSA-N 0 3 470.622 1.813 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001502337419 1070204572 /nfs/dbraw/zinc/20/45/72/1070204572.db2.gz HSORLRPBXLMVNP-XUVXKRRUSA-N 0 3 470.622 1.813 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC001502337553 1070205259 /nfs/dbraw/zinc/20/52/59/1070205259.db2.gz KDJLZYKOBCBCMT-HXUWFJFHSA-N 0 3 460.671 1.076 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C3CCOCC3)C2)CC1 ZINC001502337457 1070205636 /nfs/dbraw/zinc/20/56/36/1070205636.db2.gz IFGNBXJBWZATRG-IFMALSPDSA-N 0 3 475.682 1.943 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CCn2cccn2)CC1 ZINC001502337583 1070205990 /nfs/dbraw/zinc/20/59/90/1070205990.db2.gz KTZRPQUVGGUZLM-HXUWFJFHSA-N 0 3 457.627 1.121 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3CCC[C@H]32)CC1 ZINC001502337659 1070206879 /nfs/dbraw/zinc/20/68/79/1070206879.db2.gz MBOOAZOHZZSUDW-LWYYNNOASA-N 0 3 467.684 1.541 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCC[C@H]32)CC1 ZINC001502337661 1070207100 /nfs/dbraw/zinc/20/71/00/1070207100.db2.gz MBOOAZOHZZSUDW-VNTMZGSJSA-N 0 3 467.684 1.541 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CNC(C)=O)CC2)CC1 ZINC001502337629 1070207212 /nfs/dbraw/zinc/20/72/12/1070207212.db2.gz LMPBYCMTTCVPGZ-HXUWFJFHSA-N 0 3 488.681 1.140 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC001502337729 1070208918 /nfs/dbraw/zinc/20/89/18/1070208918.db2.gz MWBRPPLMOWPYQJ-SFTDATJTSA-N 0 3 488.681 1.281 20 0 JDADHN Cc1noc(CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC001493117243 1070210203 /nfs/dbraw/zinc/21/02/03/1070210203.db2.gz AMMAOQKSYNBSQT-GOSISDBHSA-N 0 3 458.611 1.934 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001502338231 1070211215 /nfs/dbraw/zinc/21/12/15/1070211215.db2.gz SPQMFVPTPSBOAE-MIZPHKNDSA-N 0 3 499.726 1.557 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001502338441 1070214647 /nfs/dbraw/zinc/21/46/47/1070214647.db2.gz WFMYTHZGVRAACE-OALUTQOASA-N 0 3 499.726 1.556 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccco3)C2)CC1 ZINC001502338610 1070216287 /nfs/dbraw/zinc/21/62/87/1070216287.db2.gz XTKNZBGYOAUCHX-SLFFLAALSA-N 0 3 493.678 1.749 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502338320 1070213904 /nfs/dbraw/zinc/21/39/04/1070213904.db2.gz UXPHDDYKEMRLGK-SFHVURJKSA-N 0 3 459.643 1.368 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001502342945 1070231823 /nfs/dbraw/zinc/23/18/23/1070231823.db2.gz HCCJDLPPGRNVDZ-RTWAWAEBSA-N 0 3 495.738 1.374 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502343329 1070235983 /nfs/dbraw/zinc/23/59/83/1070235983.db2.gz NGDNJUUKQVCEGS-VQTJNVASSA-N 0 3 454.623 1.204 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502343308 1070236181 /nfs/dbraw/zinc/23/61/81/1070236181.db2.gz MYWPPNAMNODZGN-FPOVZHCZSA-N 0 3 482.695 1.807 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502343310 1070236885 /nfs/dbraw/zinc/23/68/85/1070236885.db2.gz MYWPPNAMNODZGN-TZIWHRDSSA-N 0 3 482.695 1.807 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502343429 1070238946 /nfs/dbraw/zinc/23/89/46/1070238946.db2.gz OSTYJJSFMYJYQJ-SIKLNZKXSA-N 0 3 453.635 1.763 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001502343583 1070241552 /nfs/dbraw/zinc/24/15/52/1070241552.db2.gz QMVJABKSXZMVGM-FQEVSTJZSA-N 0 3 469.634 1.927 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502343721 1070241666 /nfs/dbraw/zinc/24/16/66/1070241666.db2.gz SPQJSYMKBLBWHD-PZJWPPBQSA-N 0 3 461.655 1.538 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502343722 1070242412 /nfs/dbraw/zinc/24/24/12/1070242412.db2.gz SPQJSYMKBLBWHD-TZIWHRDSSA-N 0 3 461.655 1.538 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502343852 1070247278 /nfs/dbraw/zinc/24/72/78/1070247278.db2.gz VUFHXEJOSLPEJY-ICSRJNTNSA-N 0 3 457.598 1.593 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502343813 1070244040 /nfs/dbraw/zinc/24/40/40/1070244040.db2.gz VAICCXHVGDNRAH-FCHUYYIVSA-N 0 3 463.671 1.214 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502343839 1070245288 /nfs/dbraw/zinc/24/52/88/1070245288.db2.gz VOJNOCHDYBGBST-IBVKSMDESA-N 0 3 483.661 1.853 20 0 JDADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001493186653 1070245908 /nfs/dbraw/zinc/24/59/08/1070245908.db2.gz TVRAQEAYRFXZCJ-GOSISDBHSA-N 0 3 457.598 1.701 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502344211 1070249083 /nfs/dbraw/zinc/24/90/83/1070249083.db2.gz ZIRZLQLEYGLNGZ-LJQANCHMSA-N 0 3 469.700 1.268 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502345384 1070250051 /nfs/dbraw/zinc/25/00/51/1070250051.db2.gz AOPDGCYJHVXMJH-LJQANCHMSA-N 0 3 473.597 1.548 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502345568 1070250275 /nfs/dbraw/zinc/25/02/75/1070250275.db2.gz CKPXKLZYGAXPKM-FQEVSTJZSA-N 0 3 490.674 1.708 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502345567 1070250720 /nfs/dbraw/zinc/25/07/20/1070250720.db2.gz CIQYMQHHOTVIPS-WOJBJXKFSA-N 0 3 487.624 1.937 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001502345573 1070250801 /nfs/dbraw/zinc/25/08/01/1070250801.db2.gz CLBKNDOHTIOPOD-WIYYLYMNSA-N 0 3 472.638 1.413 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502345448 1070251159 /nfs/dbraw/zinc/25/11/59/1070251159.db2.gz BSEQJGCZJXXEJD-TYBLODHISA-N 0 3 491.681 1.294 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502345586 1070252677 /nfs/dbraw/zinc/25/26/77/1070252677.db2.gz CPTZTSIACOXCFU-SBUREZEXSA-N 0 3 474.679 1.609 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502345961 1070254839 /nfs/dbraw/zinc/25/48/39/1070254839.db2.gz HVQCKJGMWLZINB-VAPSRWTKSA-N 0 3 491.681 1.333 20 0 JDADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001502346455 1070256427 /nfs/dbraw/zinc/25/64/27/1070256427.db2.gz LNQLOVHWSFENGF-TUFLPTIASA-N 0 3 450.628 1.501 20 0 JDADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCS(=O)CC2)C1 ZINC001493204062 1070257793 /nfs/dbraw/zinc/25/77/93/1070257793.db2.gz OEZYOWNMJUYORH-QZTJIDSGSA-N 0 3 450.653 1.839 20 0 JDADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC001493211147 1070260455 /nfs/dbraw/zinc/26/04/55/1070260455.db2.gz BEIXVCFDGMWONQ-XWTMOSNGSA-N 0 3 468.668 1.855 20 0 JDADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502346939 1070261094 /nfs/dbraw/zinc/26/10/94/1070261094.db2.gz QQHIDJJHKXFGED-OAQYLSRUSA-N 0 3 469.634 1.765 20 0 JDADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001493219423 1070263261 /nfs/dbraw/zinc/26/32/61/1070263261.db2.gz XTZFNIUFSKBIKI-QRVBRYPASA-N 0 3 480.679 1.780 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001502352559 1070272931 /nfs/dbraw/zinc/27/29/31/1070272931.db2.gz GSIAGFAMNYSTBQ-FQEVSTJZSA-N 0 3 470.622 1.958 20 0 JDADHN CCN1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001502351394 1070271389 /nfs/dbraw/zinc/27/13/89/1070271389.db2.gz UYUGCCGQAYONCF-SLFFLAALSA-N 0 3 484.736 1.928 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001502352513 1070273663 /nfs/dbraw/zinc/27/36/63/1070273663.db2.gz FMKWWTGKSYWUEZ-GOSISDBHSA-N 0 3 488.603 1.517 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001493275699 1070275104 /nfs/dbraw/zinc/27/51/04/1070275104.db2.gz OULAAISDULYXQR-NJDAHSKKSA-N 0 3 494.706 1.853 20 0 JDADHN C[C@H]1C[C@H](C)CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001493268815 1070275426 /nfs/dbraw/zinc/27/54/26/1070275426.db2.gz ZQJMJEFWHGAUJM-ROUUACIJSA-N 0 3 475.619 1.528 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](O)(c3ccccc3F)C2)CC1 ZINC001502353037 1070278080 /nfs/dbraw/zinc/27/80/80/1070278080.db2.gz WKBKOQQWOZOLTE-VWLOTQADSA-N 0 3 487.624 1.681 20 0 JDADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC001502352818 1070277216 /nfs/dbraw/zinc/27/72/16/1070277216.db2.gz PJYQNTUKQSVHFU-NRFANRHFSA-N 0 3 498.680 1.339 20 0 JDADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001502353147 1070279691 /nfs/dbraw/zinc/27/96/91/1070279691.db2.gz YXKHYNCZWAVZCW-JOCHJYFZSA-N 0 3 474.698 1.562 20 0 JDADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001502353152 1070280342 /nfs/dbraw/zinc/28/03/42/1070280342.db2.gz YXKHYNCZWAVZCW-QFIPXVFZSA-N 0 3 474.698 1.562 20 0 JDADHN CCN1CCN(CCCn2c(C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 ZINC001502354352 1070282684 /nfs/dbraw/zinc/28/26/84/1070282684.db2.gz IARSUOFRFUVQDF-UHFFFAOYSA-N 0 3 456.595 1.156 20 0 JDADHN CCN1CCN(CCCn2c(C)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001502354620 1070282753 /nfs/dbraw/zinc/28/27/53/1070282753.db2.gz LJKUFBCKDZYTTO-LJQANCHMSA-N 0 3 451.616 1.344 20 0 JDADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C)CC2)CC1 ZINC001502354801 1070284475 /nfs/dbraw/zinc/28/44/75/1070284475.db2.gz NVFPOFDBTXUWRA-SFHVURJKSA-N 0 3 455.673 1.542 20 0 JDADHN CCN1CCN(CCCn2c(-c3ccc(C)o3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502354767 1070284563 /nfs/dbraw/zinc/28/45/63/1070284563.db2.gz NHRWFZNHCVRPLU-GOSISDBHSA-N 0 3 450.609 1.497 20 0 JDADHN CCN1CCN(CCCn2c(C)nnc2N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC001502355096 1070285258 /nfs/dbraw/zinc/28/52/58/1070285258.db2.gz SGOIWDLPSMTRET-UHFFFAOYSA-N 0 3 479.626 1.264 20 0 JDADHN CCN1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502355115 1070285775 /nfs/dbraw/zinc/28/57/75/1070285775.db2.gz SQSAOVBLOQWMSH-KNQAVFIVSA-N 0 3 490.674 1.583 20 0 JDADHN CCN1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502355041 1070286089 /nfs/dbraw/zinc/28/60/89/1070286089.db2.gz ROXZKRDXRIXAPR-GOSISDBHSA-N 0 3 482.054 1.644 20 0 JDADHN CCN1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502355045 1070286156 /nfs/dbraw/zinc/28/61/56/1070286156.db2.gz ROXZKRDXRIXAPR-SFHVURJKSA-N 0 3 482.054 1.644 20 0 JDADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)CC1 ZINC001502355491 1070288216 /nfs/dbraw/zinc/28/82/16/1070288216.db2.gz YTPDMPHPZOQRJY-GOSISDBHSA-N 0 3 491.662 1.184 20 0 JDADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)CC1 ZINC001502355494 1070288580 /nfs/dbraw/zinc/28/85/80/1070288580.db2.gz YTPDMPHPZOQRJY-SFHVURJKSA-N 0 3 491.662 1.184 20 0 JDADHN CCN1CCN(CCCn2c(-c3ccccc3C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502355968 1070289602 /nfs/dbraw/zinc/28/96/02/1070289602.db2.gz FEOIJVHRJMXNGW-HXUWFJFHSA-N 0 3 460.648 1.904 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001502356262 1070289688 /nfs/dbraw/zinc/28/96/88/1070289688.db2.gz 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CCN1CCN(CCCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502358757 1070297237 /nfs/dbraw/zinc/29/72/37/1070297237.db2.gz PXZFGWIDOKKHSY-FQEVSTJZSA-N 0 3 454.623 1.383 20 0 JDADHN CCN1CCN(CCCn2c(Cc3ccccc3OC)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001502359252 1070298631 /nfs/dbraw/zinc/29/86/31/1070298631.db2.gz ZNHULPJNTSGIDZ-UHFFFAOYSA-N 0 3 483.661 1.964 20 0 JDADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccco2)CC1 ZINC001502359239 1070299610 /nfs/dbraw/zinc/29/96/10/1070299610.db2.gz YYZWLPOVFOCKJX-GOSISDBHSA-N 0 3 450.609 1.437 20 0 JDADHN CCN1CCN(CCCn2c(N3CCC[C@H](C(=O)OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502360223 1070302197 /nfs/dbraw/zinc/30/21/97/1070302197.db2.gz JZVYXXLATZIIBT-SQJMNOBHSA-N 0 3 492.665 1.736 20 0 JDADHN CCN1CCN(CCCn2c(CCc3ccccc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502360271 1070302312 /nfs/dbraw/zinc/30/23/12/1070302312.db2.gz LDUMYNKKJGDENS-OAQYLSRUSA-N 0 3 453.635 1.758 20 0 JDADHN CCN1CCN(CCCn2c(N3CCN(CC(=O)NC4CC4)CC3)nnc2C(C)(C)C)CC1 ZINC001502359809 1070300473 /nfs/dbraw/zinc/30/04/73/1070300473.db2.gz FIQYZOFRAPKEEQ-UHFFFAOYSA-N 0 3 460.671 1.004 20 0 JDADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001502359270 1070300653 /nfs/dbraw/zinc/30/06/53/1070300653.db2.gz ZUGRUKFYKHRVQP-UHFFFAOYSA-N 0 3 454.685 1.908 20 0 JDADHN CCN1CCN(CCCn2c(N3CCN(C(C)=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502359960 1070301585 /nfs/dbraw/zinc/30/15/85/1070301585.db2.gz HDZUUFGTLLIGLD-XMMPIXPASA-N 0 3 477.654 1.015 20 0 JDADHN CCN1CCN(CCCn2c(N3CCN(c4ccc(C(N)=O)cn4)CC3)nnc2C(C)(C)C)CC1 ZINC001502360245 1070303004 /nfs/dbraw/zinc/30/30/04/1070303004.db2.gz KMDNSWJHCXDHLP-UHFFFAOYSA-N 0 3 483.665 1.424 20 0 JDADHN CCN1CCN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502361054 1070303353 /nfs/dbraw/zinc/30/33/53/1070303353.db2.gz YZJGXZVBEYWLMX-IBGZPJMESA-N 0 3 494.637 1.647 20 0 JDADHN CCN1CCN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502361055 1070304348 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/nfs/dbraw/zinc/32/16/59/1070321659.db2.gz BQWADJCGATXDBV-MOPGFXCFSA-N 0 3 452.669 1.833 20 0 JDADHN CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502378177 1070322603 /nfs/dbraw/zinc/32/26/03/1070322603.db2.gz VBABPHSTYLUYGW-RXVVDRJESA-N 0 3 499.664 1.220 20 0 JDADHN C[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001493638722 1070322935 /nfs/dbraw/zinc/32/29/35/1070322935.db2.gz LQOOACHOHIGJKX-WOJBJXKFSA-N 0 3 459.639 1.970 20 0 JDADHN C[C@@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001493661188 1070326425 /nfs/dbraw/zinc/32/64/25/1070326425.db2.gz HUBUIAPEXOCXOP-MJGOQNOKSA-N 0 3 474.631 1.925 20 0 JDADHN C[C@@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001493661186 1070326711 /nfs/dbraw/zinc/32/67/11/1070326711.db2.gz HUBUIAPEXOCXOP-IEBWSBKVSA-N 0 3 474.631 1.925 20 0 JDADHN CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)CCC1 ZINC001502395249 1070339638 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/nfs/dbraw/zinc/34/99/40/1070349940.db2.gz VFETWGTWQROZAW-LJQANCHMSA-N 0 3 483.617 1.816 20 0 JDADHN CCNC(=O)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001502414410 1070352846 /nfs/dbraw/zinc/35/28/46/1070352846.db2.gz LNZVDZQRZYQTCR-IBGZPJMESA-N 0 3 453.591 1.948 20 0 JDADHN C[C@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001493840335 1070357647 /nfs/dbraw/zinc/35/76/47/1070357647.db2.gz BSQYMBNGTIAUNP-HOTGVXAUSA-N 0 3 494.522 1.915 20 0 JDADHN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1)N1CCC(C)CC1 ZINC001493864226 1070365354 /nfs/dbraw/zinc/36/53/54/1070365354.db2.gz PYELYYHASDMPHT-IBGZPJMESA-N 0 3 484.605 1.341 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)N1CCC(C)CC1 ZINC001493865902 1070365965 /nfs/dbraw/zinc/36/59/65/1070365965.db2.gz VNGAJDARKRYIQX-SFHVURJKSA-N 0 3 483.683 1.397 20 0 JDADHN CCNC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC001502429549 1070381291 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/nfs/dbraw/zinc/98/76/03/1070987603.db2.gz ODGJNCLPVVCOME-AZUAARDMSA-N 0 3 463.627 1.108 20 0 JDADHN CCOCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCC(=O)NC(C)C ZINC001503033978 1070991305 /nfs/dbraw/zinc/99/13/05/1070991305.db2.gz ODGJNCLPVVCOME-QUCCMNQESA-N 0 3 463.627 1.108 20 0 JDADHN CCOCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503038147 1071001227 /nfs/dbraw/zinc/00/12/27/1071001227.db2.gz ILURMLCGLFPAOQ-VLVHOKLOSA-N 0 3 450.628 1.613 20 0 JDADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCNS(C)(=O)=O ZINC001546288322 1071002624 /nfs/dbraw/zinc/00/26/24/1071002624.db2.gz MFDLXDDQKNLFHI-ROUUACIJSA-N 0 3 464.636 1.888 20 0 JDADHN CCOCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC[S@@](=O)C(C)(C)C ZINC001503060198 1071015528 /nfs/dbraw/zinc/01/55/28/1071015528.db2.gz DXSZSGCNNZECJO-FZYZMVIOSA-N 0 3 454.685 1.967 20 0 JDADHN CCOCc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503078346 1071028782 /nfs/dbraw/zinc/02/87/82/1071028782.db2.gz BIVWGNOQMDCJIN-RTWAWAEBSA-N 0 3 461.655 1.679 20 0 JDADHN CCOCc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503078344 1071028915 /nfs/dbraw/zinc/02/89/15/1071028915.db2.gz BIVWGNOQMDCJIN-NHCUHLMSSA-N 0 3 461.655 1.679 20 0 JDADHN CCOCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 ZINC001503093431 1071036890 /nfs/dbraw/zinc/03/68/90/1071036890.db2.gz HDYWYXAZTRSVSY-JOCHJYFZSA-N 0 3 491.681 1.306 20 0 JDADHN COc1ccc(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2CC(=O)NC(C)C)cc1 ZINC001504311769 1071042227 /nfs/dbraw/zinc/04/22/27/1071042227.db2.gz MTGFSFFMLDPMFC-UHFFFAOYSA-N 0 3 486.617 1.939 20 0 JDADHN CCOCc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@@H](C)CN1CCOCC1 ZINC001503096070 1071038823 /nfs/dbraw/zinc/03/88/23/1071038823.db2.gz FVTWBIKUBZOHHP-SFTDATJTSA-N 0 3 450.628 1.332 20 0 JDADHN COc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001504312140 1071042927 /nfs/dbraw/zinc/04/29/27/1071042927.db2.gz AVHKFVCZYCYVRM-UHFFFAOYSA-N 0 3 471.606 1.218 20 0 JDADHN COc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001504312480 1071043490 /nfs/dbraw/zinc/04/34/90/1071043490.db2.gz DZAFMESYDXJTHD-OAQYLSRUSA-N 0 3 499.616 1.135 20 0 JDADHN COc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001504312478 1071043545 /nfs/dbraw/zinc/04/35/45/1071043545.db2.gz DZAFMESYDXJTHD-NRFANRHFSA-N 0 3 499.616 1.135 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503098663 1071043699 /nfs/dbraw/zinc/04/36/99/1071043699.db2.gz OFMDQQLETOIRKV-HXUWFJFHSA-N 0 3 485.633 1.509 20 0 JDADHN COc1ccc(OCc2nnc(N3CCN(C4CCOCC4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001504313066 1071044155 /nfs/dbraw/zinc/04/41/55/1071044155.db2.gz YQZPVMVFKOPNEC-UHFFFAOYSA-N 0 3 472.590 1.645 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1csc(CC)n1 ZINC001503100251 1071049870 /nfs/dbraw/zinc/04/98/70/1071049870.db2.gz YZGOPECHLOCXGY-UHFFFAOYSA-N 0 3 461.636 1.821 20 0 JDADHN CCOCc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503100578 1071050417 /nfs/dbraw/zinc/05/04/17/1071050417.db2.gz HHQIGGORYMRBHQ-FQEVSTJZSA-N 0 3 478.686 1.718 20 0 JDADHN COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)N(C)C)c1 ZINC001504324838 1071059153 /nfs/dbraw/zinc/05/91/53/1071059153.db2.gz LSQVRALWKUOGKE-OAQYLSRUSA-N 0 3 457.623 1.923 20 0 JDADHN COc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(C)=O)C2)N(C)C)c1 ZINC001504323135 1071056913 /nfs/dbraw/zinc/05/69/13/1071056913.db2.gz AGUQGUYZCPDJBH-BWAGFHJFSA-N 0 3 483.617 1.893 20 0 JDADHN COc1cccc([C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)OC)N2CCCC2)c1 ZINC001504324512 1071059175 /nfs/dbraw/zinc/05/91/75/1071059175.db2.gz FFRAUGLZDGQQCD-UXHICEINSA-N 0 3 494.618 1.454 20 0 JDADHN COc1cccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C)C(=O)C2)N(C)C)c1 ZINC001504324692 1071059254 /nfs/dbraw/zinc/05/92/54/1071059254.db2.gz GZCGLGOJOWSQEZ-OAQYLSRUSA-N 0 3 466.590 1.730 20 0 JDADHN COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)N(C)C)c1 ZINC001504324204 1071058260 /nfs/dbraw/zinc/05/82/60/1071058260.db2.gz COHRRKVNUXOKMI-OAQYLSRUSA-N 0 3 499.616 1.007 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503109297 1071062895 /nfs/dbraw/zinc/06/28/95/1071062895.db2.gz KBUUPNPODUOXCI-HXUWFJFHSA-N 0 3 461.655 1.822 20 0 JDADHN COc1cccc([C@H](Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@H]2C)N(C)C)c1 ZINC001504325241 1071060065 /nfs/dbraw/zinc/06/00/65/1071060065.db2.gz PCHWFIUTGHVTSU-UZLBHIALSA-N 0 3 450.547 1.714 20 0 JDADHN COc1cccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)N2CCOCC2)N(C)C)c1 ZINC001504325615 1071060852 /nfs/dbraw/zinc/06/08/52/1071060852.db2.gz PQLKKLRADBNKKX-UNMCSNQZSA-N 0 3 486.617 1.779 20 0 JDADHN COc1cccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)N(C)C)c1 ZINC001504326135 1071060950 /nfs/dbraw/zinc/06/09/50/1071060950.db2.gz WBDZPGGNJRNYRV-QFIPXVFZSA-N 0 3 495.632 1.200 20 0 JDADHN COc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)C[C@@H]2C)N(C)C)c1 ZINC001504326367 1071061246 /nfs/dbraw/zinc/06/12/46/1071061246.db2.gz XBJBUTSRBRLPBM-IPELMVKDSA-N 0 3 455.563 1.208 20 0 JDADHN COc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCOCCCO)c1 ZINC001504340901 1071069218 /nfs/dbraw/zinc/06/92/18/1071069218.db2.gz BXBQKPFOQQCAHD-OAQYLSRUSA-N 0 3 472.590 1.096 20 0 JDADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001503110372 1071065747 /nfs/dbraw/zinc/06/57/47/1071065747.db2.gz VQKZBSFJALMHCS-UYAOXDASSA-N 0 3 486.608 1.860 20 0 JDADHN CCOCc1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503112170 1071069897 /nfs/dbraw/zinc/06/98/97/1071069897.db2.gz HECGLEDSVBRLRS-IBGZPJMESA-N 0 3 474.654 1.768 20 0 JDADHN CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC1CCN(C(=O)OC)CC1 ZINC001503115491 1071077003 /nfs/dbraw/zinc/07/70/03/1071077003.db2.gz RRMTVJOUVZKAJU-IBGZPJMESA-N 0 3 450.584 1.452 20 0 JDADHN CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@H](c1cccs1)N(C)C ZINC001503115798 1071077048 /nfs/dbraw/zinc/07/70/48/1071077048.db2.gz CLXBOLWZJFFTAP-HZPDHXFCSA-N 0 3 461.592 1.652 20 0 JDADHN COc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 ZINC001504346874 1071077047 /nfs/dbraw/zinc/07/70/47/1071077047.db2.gz LMNXTEBPCPXOJG-UHFFFAOYSA-N 0 3 477.631 1.671 20 0 JDADHN CCOCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001503116540 1071080063 /nfs/dbraw/zinc/08/00/63/1071080063.db2.gz HLHBFMANFHXPHX-ICSRJNTNSA-N 0 3 464.636 1.896 20 0 JDADHN CCOCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001503116105 1071079300 /nfs/dbraw/zinc/07/93/00/1071079300.db2.gz ZSSLPYLNKPEKJA-LJQANCHMSA-N 0 3 474.581 1.851 20 0 JDADHN COc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001504356109 1071087581 /nfs/dbraw/zinc/08/75/81/1071087581.db2.gz FYDQBXJRNKFBBX-HXUWFJFHSA-N 0 3 469.590 1.216 20 0 JDADHN COc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001504356108 1071087800 /nfs/dbraw/zinc/08/78/00/1071087800.db2.gz FYDQBXJRNKFBBX-FQEVSTJZSA-N 0 3 469.590 1.216 20 0 JDADHN CCOCc1nnc(N2CCO[C@H](Cn3cc(C)cn3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503121754 1071088268 /nfs/dbraw/zinc/08/82/68/1071088268.db2.gz AMVJGXMZVQCWLR-RTWAWAEBSA-N 0 3 460.627 1.251 20 0 JDADHN CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 ZINC001503124573 1071090650 /nfs/dbraw/zinc/09/06/50/1071090650.db2.gz NWXKRWWYGNEMKE-XZOQPEGZSA-N 0 3 470.618 1.993 20 0 JDADHN CCOCc1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503127780 1071092018 /nfs/dbraw/zinc/09/20/18/1071092018.db2.gz HJUJOKHRWLOEHD-MIZPHKNDSA-N 0 3 450.628 1.472 20 0 JDADHN CCOCc1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CCCN1CCc2ccccc2C1 ZINC001503132421 1071094400 /nfs/dbraw/zinc/09/44/00/1071094400.db2.gz OSTUVYJCRKYZAT-NHCUHLMSSA-N 0 3 457.575 1.623 20 0 JDADHN COc1ccccc1[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)OC)N1CCCC1 ZINC001504367777 1071102059 /nfs/dbraw/zinc/10/20/59/1071102059.db2.gz CSYKIZZMIMBWQF-WBVHZDCISA-N 0 3 452.581 1.732 20 0 JDADHN COc1ccccc1-c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001504386906 1071119852 /nfs/dbraw/zinc/11/98/52/1071119852.db2.gz DSLWZEVAQOHRGQ-MRXNPFEDSA-N 0 3 482.507 1.791 20 0 JDADHN CCOCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503174527 1071121195 /nfs/dbraw/zinc/12/11/95/1071121195.db2.gz WUTVUQMDSRUITB-KNQAVFIVSA-N 0 3 470.622 1.931 20 0 JDADHN CCOCCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503174529 1071121236 /nfs/dbraw/zinc/12/12/36/1071121236.db2.gz WUTVUQMDSRUITB-SIKLNZKXSA-N 0 3 470.622 1.931 20 0 JDADHN CCOCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 ZINC001503191108 1071136620 /nfs/dbraw/zinc/13/66/20/1071136620.db2.gz AZQGJYWKHFJVSM-GOSISDBHSA-N 0 3 455.625 1.298 20 0 JDADHN COc1ccccc1Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001504410184 1071154912 /nfs/dbraw/zinc/15/49/12/1071154912.db2.gz LTUPKTHEEOWZDA-UHFFFAOYSA-N 0 3 476.647 1.881 20 0 JDADHN CCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503211961 1071158330 /nfs/dbraw/zinc/15/83/30/1071158330.db2.gz LMBMFIYFDWHTLN-XMSQKQJNSA-N 0 3 472.638 1.555 20 0 JDADHN CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503212091 1071158532 /nfs/dbraw/zinc/15/85/32/1071158532.db2.gz NEMJLWXAWGNSGT-UHFFFAOYSA-N 0 3 462.620 1.855 20 0 JDADHN CCOCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC=CCC2)C[C@H]1CC ZINC001503216024 1071164995 /nfs/dbraw/zinc/16/49/95/1071164995.db2.gz KXJHHLSICBGFLA-OAQYLSRUSA-N 0 3 459.639 1.713 20 0 JDADHN COc1ccccc1Cc1nnc(N2CCS(=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504415909 1071168020 /nfs/dbraw/zinc/16/80/20/1071168020.db2.gz MVOAPYMVZDHVLN-UHFFFAOYSA-N 0 3 460.648 1.472 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@H]2C)C[C@H]1CC ZINC001503219799 1071173478 /nfs/dbraw/zinc/17/34/78/1071173478.db2.gz QFAAMRJPUOGPRZ-NHCUHLMSSA-N 0 3 459.639 1.941 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@H]2C)C[C@@H]1CC ZINC001503219800 1071173667 /nfs/dbraw/zinc/17/36/67/1071173667.db2.gz QFAAMRJPUOGPRZ-RTWAWAEBSA-N 0 3 459.639 1.941 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001503221274 1071176848 /nfs/dbraw/zinc/17/68/48/1071176848.db2.gz RCMJCFFFLXQSNO-WOJBJXKFSA-N 0 3 458.611 1.393 20 0 JDADHN CCOCCN1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503221270 1071176931 /nfs/dbraw/zinc/17/69/31/1071176931.db2.gz RCMJCFFFLXQSNO-BGYRXZFFSA-N 0 3 458.611 1.393 20 0 JDADHN CCOCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001503222679 1071183752 /nfs/dbraw/zinc/18/37/52/1071183752.db2.gz IGFWKHDJWXUXAM-FGZHOGPDSA-N 0 3 463.671 1.357 20 0 JDADHN CCOCCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001503229109 1071199456 /nfs/dbraw/zinc/19/94/56/1071199456.db2.gz TUUCBSGAIVEJNI-FQEVSTJZSA-N 0 3 457.623 1.998 20 0 JDADHN CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C2CCCCC2)CC1 ZINC001503232420 1071205675 /nfs/dbraw/zinc/20/56/75/1071205675.db2.gz ANUDEWFBYKPBIU-IBGZPJMESA-N 0 3 466.652 1.897 20 0 JDADHN CCS(=O)(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(N(C)C)CCOCC2)CC1 ZINC001503232383 1071205856 /nfs/dbraw/zinc/20/58/56/1071205856.db2.gz HBPNANZVPNRZDR-UHFFFAOYSA-N 0 3 464.636 1.798 20 0 JDADHN COc1ccccc1SCc1nnc(N2CCNC(=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001504451135 1071221490 /nfs/dbraw/zinc/22/14/90/1071221490.db2.gz LWZINLOZWYJYKL-UHFFFAOYSA-N 0 3 487.674 1.931 20 0 JDADHN COc1ccccc1OCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC(C)(C)O ZINC001504455266 1071226032 /nfs/dbraw/zinc/22/60/32/1071226032.db2.gz KOOKVCPWBGNKGK-UHFFFAOYSA-N 0 3 486.617 1.771 20 0 JDADHN COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504454663 1071227128 /nfs/dbraw/zinc/22/71/28/1071227128.db2.gz SKVBFAJQAMZACY-GHTZIAJQSA-N 0 3 498.632 1.247 20 0 JDADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503241533 1071231773 /nfs/dbraw/zinc/23/17/73/1071231773.db2.gz AVHWILLCMUPGBG-IBGZPJMESA-N 0 3 477.679 1.549 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(CC(C)C)C1 ZINC001503249631 1071258855 /nfs/dbraw/zinc/25/88/55/1071258855.db2.gz BXWDEZPPZDHUGN-QZTJIDSGSA-N 0 3 454.641 1.468 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC001504488916 1071263106 /nfs/dbraw/zinc/26/31/06/1071263106.db2.gz CIFJSLRZQDPVFX-FQEVSTJZSA-N 0 3 489.665 1.756 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccn3)CC2)CC1 ZINC001504489157 1071263767 /nfs/dbraw/zinc/26/37/67/1071263767.db2.gz FIVQJHKJVYEKMD-UHFFFAOYSA-N 0 3 485.637 1.422 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001504490657 1071266141 /nfs/dbraw/zinc/26/61/41/1071266141.db2.gz QZWYMRNWTRGLEQ-QGZVFWFLSA-N 0 3 463.627 1.398 20 0 JDADHN CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCC[C@H](C)C1 ZINC001503252212 1071270615 /nfs/dbraw/zinc/27/06/15/1071270615.db2.gz URHYWJDDDLPTQU-AVRDEDQJSA-N 0 3 468.668 1.782 20 0 JDADHN COC1CCN(C(C)(C)Cn2c(N3CCS(=O)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001504493173 1071271296 /nfs/dbraw/zinc/27/12/96/1071271296.db2.gz DWHPIKFGIFDFMQ-QHCPKHFHSA-N 0 3 483.679 1.777 20 0 JDADHN CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503254604 1071281564 /nfs/dbraw/zinc/28/15/64/1071281564.db2.gz KOXJHRYVADBEIE-UHFFFAOYSA-N 0 3 496.037 1.173 20 0 JDADHN CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CC1(C)C ZINC001504508826 1071283308 /nfs/dbraw/zinc/28/33/08/1071283308.db2.gz BFOUBRAQRPMHSE-GBESFXJTSA-N 0 3 469.652 1.278 20 0 JDADHN CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503255816 1071283895 /nfs/dbraw/zinc/28/38/95/1071283895.db2.gz FGIGEDVOGUORPE-UHFFFAOYSA-N 0 3 490.630 1.133 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(C(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001503264982 1071327678 /nfs/dbraw/zinc/32/76/78/1071327678.db2.gz OGZQRUWDECJBOH-GOSISDBHSA-N 0 3 456.657 1.763 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001503266645 1071336462 /nfs/dbraw/zinc/33/64/62/1071336462.db2.gz MOMWGOZONDADDY-LJQANCHMSA-N 0 3 468.668 1.908 20 0 JDADHN COCC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001504536781 1071342003 /nfs/dbraw/zinc/34/20/03/1071342003.db2.gz IPXYDHVYJUJVJN-UHFFFAOYSA-N 0 3 499.660 1.487 20 0 JDADHN CCS(=O)(=O)N(C)CCCn1c(-c2ccccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503270486 1071358093 /nfs/dbraw/zinc/35/80/93/1071358093.db2.gz QXLFHEZCBMGABY-IBGZPJMESA-N 0 3 494.637 1.914 20 0 JDADHN COCC(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001504539869 1071358102 /nfs/dbraw/zinc/35/81/02/1071358102.db2.gz WHMYQLRVRNVNDO-UHFFFAOYSA-N 0 3 487.624 1.842 20 0 JDADHN COCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001504540929 1071363986 /nfs/dbraw/zinc/36/39/86/1071363986.db2.gz QEKGGJPMFNYPNL-CTNGQTDRSA-N 0 3 456.591 1.816 20 0 JDADHN COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001504541190 1071365058 /nfs/dbraw/zinc/36/50/58/1071365058.db2.gz SKMDNVQTSCHISC-HXUWFJFHSA-N 0 3 491.681 1.541 20 0 JDADHN COCC(C)(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504544211 1071370544 /nfs/dbraw/zinc/37/05/44/1071370544.db2.gz MTMOQFMETOCLES-UHFFFAOYSA-N 0 3 472.638 1.876 20 0 JDADHN CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503273460 1071374771 /nfs/dbraw/zinc/37/47/71/1071374771.db2.gz JUCVDAJDIPRFQD-KRWDZBQOSA-N 0 3 498.053 1.481 20 0 JDADHN COC[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001504558563 1071382376 /nfs/dbraw/zinc/38/23/76/1071382376.db2.gz MOOCREGYTDDTJZ-ZWKOTPCHSA-N 0 3 457.579 1.897 20 0 JDADHN CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503276934 1071392683 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COCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504645830 1071508883 /nfs/dbraw/zinc/50/88/83/1071508883.db2.gz ZHPWLBMLCRUJRR-GOSISDBHSA-N 0 3 492.646 1.384 20 0 JDADHN CC[S@](=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503301310 1071520350 /nfs/dbraw/zinc/52/03/50/1071520350.db2.gz QZANDFLHBIWVCA-PPGPUPIYSA-N 0 3 472.659 1.689 20 0 JDADHN COC[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001504665320 1071527337 /nfs/dbraw/zinc/52/73/37/1071527337.db2.gz PFSRWCCBOIZAIM-RTBURBONSA-N 0 3 485.699 1.167 20 0 JDADHN COCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001504686620 1071542189 /nfs/dbraw/zinc/54/21/89/1071542189.db2.gz AVZYRRVGNFWSHW-UHFFFAOYSA-N 0 3 470.622 1.814 20 0 JDADHN COC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)C1 ZINC001504687291 1071543017 /nfs/dbraw/zinc/54/30/17/1071543017.db2.gz XKTPBCYPFOADAC-VAMGGRTRSA-N 0 3 469.652 1.280 20 0 JDADHN COCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001504697246 1071549663 /nfs/dbraw/zinc/54/96/63/1071549663.db2.gz ADGQOVAQYIFIDP-MOPGFXCFSA-N 0 3 461.611 1.035 20 0 JDADHN COCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001504697250 1071549773 /nfs/dbraw/zinc/54/97/73/1071549773.db2.gz ADGQOVAQYIFIDP-RBUKOAKNSA-N 0 3 461.611 1.035 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(COc2ccc(F)cc2)nnc1N1CCOCC1 ZINC001503357426 1071558988 /nfs/dbraw/zinc/55/89/88/1071558988.db2.gz KHBLPLDKJRQOMR-HXUWFJFHSA-N 0 3 460.554 1.776 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CCOc2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001503357365 1071559120 /nfs/dbraw/zinc/55/91/20/1071559120.db2.gz JICCXSDRYOTVNH-OAQYLSRUSA-N 0 3 483.617 1.169 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CCc2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001503357598 1071559575 /nfs/dbraw/zinc/55/95/75/1071559575.db2.gz NIVKYIYXIDLEJG-RLWLMLJZSA-N 0 3 481.645 1.708 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Nc2ccn(C)n2)nnc1C(=O)Nc1ccccn1 ZINC001503357412 1071558737 /nfs/dbraw/zinc/55/87/37/1071558737.db2.gz JTAOTQVFXQUJND-MRXNPFEDSA-N 0 3 466.550 1.345 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CCc2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001503357596 1071559779 /nfs/dbraw/zinc/55/97/79/1071559779.db2.gz NIVKYIYXIDLEJG-QFQXNSOFSA-N 0 3 481.645 1.708 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001503357970 1071562039 /nfs/dbraw/zinc/56/20/39/1071562039.db2.gz CGEMESCXAQKDHE-CTNGQTDRSA-N 0 3 482.633 1.298 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001503358066 1071563326 /nfs/dbraw/zinc/56/33/26/1071563326.db2.gz DKFXTJPBECTTIC-IBGZPJMESA-N 0 3 489.665 1.851 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001503358210 1071564127 /nfs/dbraw/zinc/56/41/27/1071564127.db2.gz SGYLWBLVOBQWCM-RBUKOAKNSA-N 0 3 495.550 1.974 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCOC1 ZINC001503359177 1071569251 /nfs/dbraw/zinc/56/92/51/1071569251.db2.gz KBOVZLHMESTMLE-RTWAWAEBSA-N 0 3 455.607 1.679 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCOC1 ZINC001503359474 1071569973 /nfs/dbraw/zinc/56/99/73/1071569973.db2.gz MGEYIQPEDUPKEM-MOPGFXCFSA-N 0 3 484.605 1.341 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N(C)Cc1cnn(C)c1 ZINC001503359435 1071570144 /nfs/dbraw/zinc/57/01/44/1071570144.db2.gz LXZMSLGQMGSQCN-NRFANRHFSA-N 0 3 465.606 1.577 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1 ZINC001503361491 1071576700 /nfs/dbraw/zinc/57/67/00/1071576700.db2.gz VPORLGPDISCKPS-PMACEKPBSA-N 0 3 453.591 1.808 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001503361304 1071576864 /nfs/dbraw/zinc/57/68/64/1071576864.db2.gz UTVPWRYBUFDKJU-RTBURBONSA-N 0 3 489.024 1.857 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCCOC1 ZINC001503361686 1071578495 /nfs/dbraw/zinc/57/84/95/1071578495.db2.gz XUXWHKJZVOVSII-QYZOEREBSA-N 0 3 461.611 1.035 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CCO1 ZINC001504725502 1071592054 /nfs/dbraw/zinc/59/20/54/1071592054.db2.gz CCNVAVKOWOUHML-MSOLQXFVSA-N 0 3 455.625 1.296 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N(C)Cc2ccccc2)CCO1 ZINC001504725068 1071590860 /nfs/dbraw/zinc/59/08/60/1071590860.db2.gz AUSOCEADPOYJRY-FCEUIQTBSA-N 0 3 491.658 1.942 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N(C)Cc2ccccc2)CCO1 ZINC001504725066 1071590943 /nfs/dbraw/zinc/59/09/43/1071590943.db2.gz AUSOCEADPOYJRY-BVSLBCMMSA-N 0 3 491.658 1.942 20 0 JDADHN CN(C)C(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503368496 1071597392 /nfs/dbraw/zinc/59/73/92/1071597392.db2.gz OXTFVCVZJXCQLO-QGZVFWFLSA-N 0 3 462.545 1.784 20 0 JDADHN CN(C)C(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001503369345 1071599461 /nfs/dbraw/zinc/59/94/61/1071599461.db2.gz WWOXPHNIUVFFNG-LJQANCHMSA-N 0 3 458.611 1.448 20 0 JDADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)C[C@H](C)O1 ZINC001504730128 1071599784 /nfs/dbraw/zinc/59/97/84/1071599784.db2.gz PVAXMKRZCUTCDB-FYZZASKESA-N 0 3 483.679 1.931 20 0 JDADHN CN(C)C(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503371096 1071604152 /nfs/dbraw/zinc/60/41/52/1071604152.db2.gz WYJDCURBKSEXSL-SFHLNBCPSA-N 0 3 489.665 1.418 20 0 JDADHN CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503371699 1071605555 /nfs/dbraw/zinc/60/55/55/1071605555.db2.gz KFDLWNQCKATNCS-SFHVURJKSA-N 0 3 459.982 1.430 20 0 JDADHN COC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001504736341 1071611409 /nfs/dbraw/zinc/61/14/09/1071611409.db2.gz TXNLZMOFGSTYPT-FQEVSTJZSA-N 0 3 460.627 1.017 20 0 JDADHN CN(C)C(=O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503374329 1071612364 /nfs/dbraw/zinc/61/23/64/1071612364.db2.gz QRCXMNCNRRIKIJ-GBESFXJTSA-N 0 3 491.637 1.296 20 0 JDADHN CN(C)C(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001503376800 1071623583 /nfs/dbraw/zinc/62/35/83/1071623583.db2.gz HGQKMXYTXLEBQW-FQEVSTJZSA-N 0 3 468.631 1.915 20 0 JDADHN CN(C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1)c1cccs1 ZINC001503380145 1071635537 /nfs/dbraw/zinc/63/55/37/1071635537.db2.gz GQZTXTBXKFBNHM-HOTGVXAUSA-N 0 3 454.622 1.574 20 0 JDADHN CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CCCCC1 ZINC001503380922 1071636372 /nfs/dbraw/zinc/63/63/72/1071636372.db2.gz JBEPZQOLTHPCTP-DFQSSKMNSA-N 0 3 480.679 1.783 20 0 JDADHN CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccc(F)c1 ZINC001503381490 1071637715 /nfs/dbraw/zinc/63/77/15/1071637715.db2.gz BYOJUCWGPMUTBF-IEBWSBKVSA-N 0 3 466.583 1.306 20 0 JDADHN 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CO[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H]1OC ZINC001505116825 1072258732 /nfs/dbraw/zinc/25/87/32/1072258732.db2.gz VSCPUXLWPVGEEA-PCCBWWKXSA-N 0 3 471.606 1.057 20 0 JDADHN CO[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1OC ZINC001505116843 1072258834 /nfs/dbraw/zinc/25/88/34/1072258834.db2.gz WHKAZHIWJHBSJW-OYRHEFFESA-N 0 3 460.598 1.884 20 0 JDADHN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCN2CCCCC2)C1 ZINC001505138162 1072330492 /nfs/dbraw/zinc/33/04/92/1072330492.db2.gz MUCHLWVSTVRDSB-IAGOWNOFSA-N 0 3 476.594 1.578 20 0 JDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC001464725294 1067638260 /nfs/dbraw/zinc/63/82/60/1067638260.db2.gz JLQOQEIQAUNEIM-SFHVURJKSA-N 0 3 459.572 1.702 20 0 JDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(C2(O)CN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001464727125 1067638831 /nfs/dbraw/zinc/63/88/31/1067638831.db2.gz YNNFVSWDAUJPMB-QGZVFWFLSA-N 0 3 452.596 1.197 20 0 JDADHN 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ZINC001473355092 1069130777 /nfs/dbraw/zinc/13/07/77/1069130777.db2.gz PDVSTWGYSRUFEV-NRFANRHFSA-N 0 3 454.575 1.745 20 0 JDADHN O=C(CN[C@@H](CO)C1CCCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001473374430 1069132906 /nfs/dbraw/zinc/13/29/06/1069132906.db2.gz IPPNBDIJFBDDJI-SFHVURJKSA-N 0 3 459.996 1.830 20 0 JDADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H]3Cc4cccc(O)c4C3)CC2)c1 ZINC001473379351 1069134054 /nfs/dbraw/zinc/13/40/54/1069134054.db2.gz HQYRYKZHSGUZDA-LJQANCHMSA-N 0 3 457.552 1.185 20 0 JDADHN CCC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001499960815 1069144703 /nfs/dbraw/zinc/14/47/03/1069144703.db2.gz LKUONRWBFWTDDF-NZQKXSOJSA-N 0 3 498.694 1.617 20 0 JDADHN C[C@H](CO)N(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)CC1CCC1 ZINC001473420482 1069145116 /nfs/dbraw/zinc/14/51/16/1069145116.db2.gz NSHFGCLILHGWIG-LJQANCHMSA-N 0 3 453.605 1.754 20 0 JDADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC001473427782 1069146190 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CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC001508265813 1073031364 /nfs/dbraw/zinc/03/13/64/1073031364.db2.gz HVRAXXFMZIMPHD-SJLPKXTDSA-N 0 3 459.620 1.822 20 0 JDADHN CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC001508269312 1073037365 /nfs/dbraw/zinc/03/73/65/1073037365.db2.gz UZVIZIXBKOXMLD-DYESRHJHSA-N 0 3 471.581 1.900 20 0 JDADHN CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC001508269318 1073037380 /nfs/dbraw/zinc/03/73/80/1073037380.db2.gz UZVIZIXBKOXMLD-UTKZUKDTSA-N 0 3 471.581 1.900 20 0 JDADHN CC(=O)Nc1ccc(Cn2c(C)nnc2N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)cc1 ZINC001508283357 1073062298 /nfs/dbraw/zinc/06/22/98/1073062298.db2.gz MHPAJUTUZAWDJY-GAJHUEQPSA-N 0 3 453.591 1.972 20 0 JDADHN CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)C1 ZINC001508327319 1073084621 /nfs/dbraw/zinc/08/46/21/1073084621.db2.gz HDCRCCSJGSZPFB-VAMGGRTRSA-N 0 3 466.652 1.406 20 0 JDADHN CC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)C1 ZINC001508330423 1073088873 /nfs/dbraw/zinc/08/88/73/1073088873.db2.gz PEDOOBHQFBBTHW-OALUTQOASA-N 0 3 454.641 1.404 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508347192 1073105480 /nfs/dbraw/zinc/10/54/80/1073105480.db2.gz KFESELCQMGVISP-PZJWPPBQSA-N 0 3 459.639 1.841 20 0 JDADHN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)C1 ZINC001508350006 1073110118 /nfs/dbraw/zinc/11/01/18/1073110118.db2.gz BMYIFEQPLNWQRP-WOJBJXKFSA-N 0 3 480.679 1.797 20 0 JDADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)C1 ZINC001508350642 1073111690 /nfs/dbraw/zinc/11/16/90/1073111690.db2.gz FHBXWOXBMDPNRX-GIVPXCGWSA-N 0 3 480.679 1.797 20 0 JDADHN CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)C1 ZINC001508354204 1073117267 /nfs/dbraw/zinc/11/72/67/1073117267.db2.gz QACQMHKTZIWRGS-UXHICEINSA-N 0 3 468.668 1.652 20 0 JDADHN CC(=O)NC[C@H]1CCCN(c2nnc(CC3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508360930 1073128357 /nfs/dbraw/zinc/12/83/57/1073128357.db2.gz VVTBSPASKDNSMD-RTWAWAEBSA-N 0 3 459.639 1.526 20 0 JDADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N2CCCC2)CCO1 ZINC001508372718 1073147287 /nfs/dbraw/zinc/14/72/87/1073147287.db2.gz VSECOMKRGKTFBH-FCHUYYIVSA-N 0 3 483.617 1.595 20 0 JDADHN CC(=O)NC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001508376493 1073164648 /nfs/dbraw/zinc/16/46/48/1073164648.db2.gz DHMCSHQNPQXUQA-FQEVSTJZSA-N 0 3 490.678 1.001 20 0 JDADHN CC(=O)NCCCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001508389775 1073199544 /nfs/dbraw/zinc/19/95/44/1073199544.db2.gz MNMCLSLBWXTXRV-AUSIDOKSSA-N 0 3 467.618 1.850 20 0 JDADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001508440393 1073242777 /nfs/dbraw/zinc/24/27/77/1073242777.db2.gz JUFYKKJTUGIYFC-RTBURBONSA-N 0 3 477.679 1.548 20 0 JDADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001508440384 1073242959 /nfs/dbraw/zinc/24/29/59/1073242959.db2.gz JUFYKKJTUGIYFC-OALUTQOASA-N 0 3 477.679 1.548 20 0 JDADHN CC(C)(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001508529091 1073273963 /nfs/dbraw/zinc/27/39/63/1073273963.db2.gz TXRPSMLAHJLBBB-ROUUACIJSA-N 0 3 474.572 1.997 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CCCO2)CC1 ZINC001508621268 1073288292 /nfs/dbraw/zinc/28/82/92/1073288292.db2.gz XZPJDJGFHDMLRO-CVDCTZTESA-N 0 3 498.694 1.738 20 0 JDADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccs2)CC1 ZINC001508621596 1073288978 /nfs/dbraw/zinc/28/89/78/1073288978.db2.gz ZIHASWDVPHFZGZ-QGZVFWFLSA-N 0 3 497.691 1.674 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(CCOc3ccccc3)n2CCCNS(C)(=O)=O)CC1 ZINC001508623379 1073290508 /nfs/dbraw/zinc/29/05/08/1073290508.db2.gz RFHAVIJJLAIQGP-UHFFFAOYSA-N 0 3 464.636 1.759 20 0 JDADHN CC(C)(C)N1CCN(c2nnc(Cc3cccnc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 ZINC001508623341 1073290531 /nfs/dbraw/zinc/29/05/31/1073290531.db2.gz NYGNNNQTKZDDQD-UHFFFAOYSA-N 0 3 488.618 1.292 20 0 JDADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCCCO2)CC1 ZINC001508624368 1073291510 /nfs/dbraw/zinc/29/15/10/1073291510.db2.gz VDXMHAVIEDANIX-OALUTQOASA-N 0 3 484.667 1.491 20 0 JDADHN CC(C)(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001508626709 1073292376 /nfs/dbraw/zinc/29/23/76/1073292376.db2.gz PDZHPOIPHYYFTC-UHFFFAOYSA-N 0 3 461.611 1.120 20 0 JDADHN CC(C)(C)OCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508688007 1073335816 /nfs/dbraw/zinc/33/58/16/1073335816.db2.gz IKGSGMAJLOZVSZ-UHFFFAOYSA-N 0 3 455.607 1.823 20 0 JDADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCN1CC=CCC1 ZINC001508711214 1073347980 /nfs/dbraw/zinc/34/79/80/1073347980.db2.gz RWMRKMYGJFIJQA-WOJBJXKFSA-N 0 3 480.679 1.977 20 0 JDADHN CC(C)(O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508715607 1073349601 /nfs/dbraw/zinc/34/96/01/1073349601.db2.gz AQGHMQBGQMRWEL-UHFFFAOYSA-N 0 3 494.438 1.941 20 0 JDADHN CC(C)(CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001508719937 1073350501 /nfs/dbraw/zinc/35/05/01/1073350501.db2.gz BXQCGVJGQUFGBQ-SJORKVTESA-N 0 3 452.625 1.004 20 0 JDADHN CC(C)(CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001508723300 1073351386 /nfs/dbraw/zinc/35/13/86/1073351386.db2.gz VJLSDFXNTHGZEE-IBGZPJMESA-N 0 3 494.706 1.997 20 0 JDADHN CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001508753805 1073357255 /nfs/dbraw/zinc/35/72/55/1073357255.db2.gz IKPBMAZVWGNCFP-VQTJNVASSA-N 0 3 482.651 1.126 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 ZINC001508768845 1073362307 /nfs/dbraw/zinc/36/23/07/1073362307.db2.gz NALRFAATDZCPTN-SFTDATJTSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 ZINC001508770320 1073363992 /nfs/dbraw/zinc/36/39/92/1073363992.db2.gz BHBRULOXNCLKFQ-VQTJNVASSA-N 0 3 480.679 1.605 20 0 JDADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001508770078 1073364046 /nfs/dbraw/zinc/36/40/46/1073364046.db2.gz WWWHZVGUUMETTM-SFTDATJTSA-N 0 3 489.665 1.419 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 ZINC001508770812 1073364528 /nfs/dbraw/zinc/36/45/28/1073364528.db2.gz FMMJFALQUKVAFE-RTWAWAEBSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 ZINC001508770817 1073364597 /nfs/dbraw/zinc/36/45/97/1073364597.db2.gz FMMJFALQUKVAFE-SFTDATJTSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508771802 1073366202 /nfs/dbraw/zinc/36/62/02/1073366202.db2.gz DDSRARUKTFQLPW-WOJBJXKFSA-N 0 3 459.639 1.839 20 0 JDADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508771800 1073366397 /nfs/dbraw/zinc/36/63/97/1073366397.db2.gz DDSRARUKTFQLPW-UXHICEINSA-N 0 3 459.639 1.839 20 0 JDADHN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)CC1 ZINC001508774976 1073369443 /nfs/dbraw/zinc/36/94/43/1073369443.db2.gz WZOSQXQYOGBGCG-GOSISDBHSA-N 0 3 466.652 1.359 20 0 JDADHN CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508805581 1073388453 /nfs/dbraw/zinc/38/84/53/1073388453.db2.gz VDTMTTHEGFQALM-OAQYLSRUSA-N 0 3 462.639 1.883 20 0 JDADHN CC(C)C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001508805928 1073388506 /nfs/dbraw/zinc/38/85/06/1073388506.db2.gz WUGCMRJYWYPEQO-NRFANRHFSA-N 0 3 462.639 1.883 20 0 JDADHN CC(C)[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508846634 1073412633 /nfs/dbraw/zinc/41/26/33/1073412633.db2.gz WIKSWNKSAIKLPF-HYBUGGRVSA-N 0 3 455.607 1.414 20 0 JDADHN CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)N1CCCC1 ZINC001508872295 1073432849 /nfs/dbraw/zinc/43/28/49/1073432849.db2.gz ITRQYXRZIFWIGE-OTWHNJEPSA-N 0 3 468.668 1.779 20 0 JDADHN CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001508913685 1073448049 /nfs/dbraw/zinc/44/80/49/1073448049.db2.gz ZTNQVFBKIBNDKY-UHFFFAOYSA-N 0 3 458.611 1.481 20 0 JDADHN CCc1ccccc1OCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)N(C)C ZINC001546311905 1073448104 /nfs/dbraw/zinc/44/81/04/1073448104.db2.gz FAFQTOSXPHYDQD-UHFFFAOYSA-N 0 3 483.617 1.252 20 0 JDADHN CC(C)c1nnc(N2CCC(Cn3cncn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001508956025 1073453106 /nfs/dbraw/zinc/45/31/06/1073453106.db2.gz MGGVRFFWEMFLNP-HXUWFJFHSA-N 0 3 457.627 1.852 20 0 JDADHN CC(C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001508961834 1073455595 /nfs/dbraw/zinc/45/55/95/1073455595.db2.gz XKMXCQDYVNQMMJ-IBGZPJMESA-N 0 3 460.627 1.338 20 0 JDADHN CC(C)c1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1CCN1CC=CCC1 ZINC001508975448 1073458688 /nfs/dbraw/zinc/45/86/88/1073458688.db2.gz GXWGXBAPTTXXGL-IBGZPJMESA-N 0 3 452.625 1.294 20 0 JDADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001509014013 1073477693 /nfs/dbraw/zinc/47/76/93/1073477693.db2.gz NSENXGSPQWIDQO-LJQANCHMSA-N 0 3 462.620 1.450 20 0 JDADHN CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001509038903 1073481855 /nfs/dbraw/zinc/48/18/55/1073481855.db2.gz CKDQAIXZQOPSCV-PMACEKPBSA-N 0 3 497.710 1.262 20 0 JDADHN CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001509175102 1073518489 /nfs/dbraw/zinc/51/84/89/1073518489.db2.gz HPJKTLAEAXBKDV-NHCUHLMSSA-N 0 3 481.711 1.505 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001509207843 1073530829 /nfs/dbraw/zinc/53/08/29/1073530829.db2.gz GMTFHAUCXAKMMN-UHFFFAOYSA-N 0 3 458.698 1.776 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001509209243 1073532039 /nfs/dbraw/zinc/53/20/39/1073532039.db2.gz WVUNFJRGOMNRIR-QFIPXVFZSA-N 0 3 481.645 1.970 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ncccc1N(C)C ZINC001509210613 1073532956 /nfs/dbraw/zinc/53/29/56/1073532956.db2.gz JBYKZCUYWLBYCM-UHFFFAOYSA-N 0 3 454.623 1.730 20 0 JDADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001509212236 1073534297 /nfs/dbraw/zinc/53/42/97/1073534297.db2.gz PKUPAGOXRDZGTM-UHFFFAOYSA-N 0 3 466.652 1.188 20 0 JDADHN CC(C)Cc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001509244928 1073545299 /nfs/dbraw/zinc/54/52/99/1073545299.db2.gz UTFNIFPIVJLKIF-ZCNNSNEGSA-N 0 3 459.639 1.476 20 0 JDADHN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001509259009 1073549657 /nfs/dbraw/zinc/54/96/57/1073549657.db2.gz ALWVOHDQSRZIFU-QPPBQGQZSA-N 0 3 497.706 1.916 20 0 JDADHN CC(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001509314394 1073562308 /nfs/dbraw/zinc/56/23/08/1073562308.db2.gz UMKAWYQZRLHCNX-HXUWFJFHSA-N 0 3 484.667 1.206 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001509402272 1073576547 /nfs/dbraw/zinc/57/65/47/1073576547.db2.gz FQTSTUQKCCLAGW-SFHVURJKSA-N 0 3 471.597 1.550 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H]2C)CC1=O ZINC001509403891 1073580068 /nfs/dbraw/zinc/58/00/68/1073580068.db2.gz QSXXYGLRGGEPAG-GOSISDBHSA-N 0 3 454.579 1.714 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001509403861 1073580126 /nfs/dbraw/zinc/58/01/26/1073580126.db2.gz INHPKFPWMZNAJT-ZWKOTPCHSA-N 0 3 454.641 1.408 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001509404312 1073581325 /nfs/dbraw/zinc/58/13/25/1073581325.db2.gz KYRFADDZQMQCAV-XMMPIXPASA-N 0 3 471.606 1.639 20 0 JDADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC(N)=O)C1 ZINC001509405293 1073583160 /nfs/dbraw/zinc/58/31/60/1073583160.db2.gz CRFSNEXUPPWPBH-OKZBNKHCSA-N 0 3 454.641 1.248 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001509406373 1073585336 /nfs/dbraw/zinc/58/53/36/1073585336.db2.gz UVYQEOYUFGNPSW-XUZZJYLKSA-N 0 3 464.655 1.817 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001509407125 1073586395 /nfs/dbraw/zinc/58/63/95/1073586395.db2.gz XEWPHKABYDCJSH-IBGZPJMESA-N 0 3 491.662 1.325 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001509407783 1073587506 /nfs/dbraw/zinc/58/75/06/1073587506.db2.gz ZIKFPACUYKKTCM-PMOQBDJRSA-N 0 3 451.612 1.637 20 0 JDADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001509412118 1073591213 /nfs/dbraw/zinc/59/12/13/1073591213.db2.gz VJXDFTIDGCZWIV-UHFFFAOYSA-N 0 3 476.647 1.787 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001509418848 1073593664 /nfs/dbraw/zinc/59/36/64/1073593664.db2.gz GEQARJBRSOFHRI-HXUWFJFHSA-N 0 3 453.591 1.666 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 ZINC001509418117 1073593697 /nfs/dbraw/zinc/59/36/97/1073593697.db2.gz BPSBPIVWQGBKNR-CQSZACIVSA-N 0 3 450.481 1.924 20 0 JDADHN CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001509423440 1073597278 /nfs/dbraw/zinc/59/72/78/1073597278.db2.gz TYKMFTHIMVUNMF-IBGZPJMESA-N 0 3 466.581 1.813 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nccs2)CC1 ZINC001509425556 1073599572 /nfs/dbraw/zinc/59/95/72/1073599572.db2.gz AJAMHTXTXHUTJR-SFHVURJKSA-N 0 3 497.691 1.478 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2)CC1 ZINC001509426538 1073600917 /nfs/dbraw/zinc/60/09/17/1073600917.db2.gz GEDNZACFYXTUML-RTBURBONSA-N 0 3 486.708 1.675 20 0 JDADHN CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)CC1=O ZINC001509427825 1073602434 /nfs/dbraw/zinc/60/24/34/1073602434.db2.gz KULUSKXCBFYROX-VQTJNVASSA-N 0 3 480.679 1.607 20 0 JDADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1=O ZINC001509429875 1073605699 /nfs/dbraw/zinc/60/56/99/1073605699.db2.gz QHYLKUPHDXDIPS-PZJWPPBQSA-N 0 3 473.666 1.866 20 0 JDADHN CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001509430952 1073606457 /nfs/dbraw/zinc/60/64/57/1073606457.db2.gz HSQLWIWKJYOCAU-UHFFFAOYSA-N 0 3 488.658 1.771 20 0 JDADHN CC(C)CN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001509433732 1073614762 /nfs/dbraw/zinc/61/47/62/1073614762.db2.gz PSFRHBGRJGYURG-IBGZPJMESA-N 0 3 473.553 1.762 20 0 JDADHN CC(C)COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001509464233 1073638585 /nfs/dbraw/zinc/63/85/85/1073638585.db2.gz FRNJGZDIYCRFEO-LJQANCHMSA-N 0 3 463.627 1.222 20 0 JDADHN CC(C)CO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001509474528 1073644341 /nfs/dbraw/zinc/64/43/41/1073644341.db2.gz ZYUPKSCHNVZMIP-PMACEKPBSA-N 0 3 484.667 1.348 20 0 JDADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1)C(C)C ZINC001509545765 1073672814 /nfs/dbraw/zinc/67/28/14/1073672814.db2.gz HUTBCDIGDYKMKZ-QGZVFWFLSA-N 0 3 480.601 1.983 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001509553699 1073677685 /nfs/dbraw/zinc/67/76/85/1073677685.db2.gz CKJDIUSLONLERW-KRWDZBQOSA-N 0 3 461.592 1.281 20 0 JDADHN CC(C)N1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001509559070 1073681750 /nfs/dbraw/zinc/68/17/50/1073681750.db2.gz CIARSSABWOTSHF-WOJBJXKFSA-N 0 3 494.706 1.995 20 0 JDADHN CC(C)N1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCN2CCOCC2)C1 ZINC001509562782 1073683949 /nfs/dbraw/zinc/68/39/49/1073683949.db2.gz NKAOYJVQYANCMH-UXHICEINSA-N 0 3 468.668 1.069 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509564188 1073686643 /nfs/dbraw/zinc/68/66/43/1073686643.db2.gz SPVRVUIJICXWRL-RBUKOAKNSA-N 0 3 466.652 1.534 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001509566233 1073687434 /nfs/dbraw/zinc/68/74/34/1073687434.db2.gz ZQGXMWOMLQPKHS-RCCFBDPRSA-N 0 3 452.625 1.363 20 0 JDADHN CC(C)N1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001509566107 1073688078 /nfs/dbraw/zinc/68/80/78/1073688078.db2.gz ZQGXMWOMLQPKHS-BZSNNMDCSA-N 0 3 452.625 1.363 20 0 JDADHN CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001509577628 1073695807 /nfs/dbraw/zinc/69/58/07/1073695807.db2.gz PAASGNSSOMGXEI-OAQYLSRUSA-N 0 3 496.591 1.888 20 0 JDADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(=O)N(C)C)C2)CC1 ZINC001509582337 1073706026 /nfs/dbraw/zinc/70/60/26/1073706026.db2.gz QSROUJKNUMUUJP-QGZVFWFLSA-N 0 3 493.454 1.729 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001509589069 1073718630 /nfs/dbraw/zinc/71/86/30/1073718630.db2.gz ZLELTSDHGCDHCF-GOSISDBHSA-N 0 3 480.564 1.638 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001509589074 1073718885 /nfs/dbraw/zinc/71/88/85/1073718885.db2.gz ZLELTSDHGCDHCF-SFHVURJKSA-N 0 3 480.564 1.638 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCN1CCN(C)C(C)(C)C1 ZINC001509588555 1073719021 /nfs/dbraw/zinc/71/90/21/1073719021.db2.gz XUPLMZGPNRDRQG-IBGZPJMESA-N 0 3 471.654 1.690 20 0 JDADHN CC(C)NC(=O)c1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CCN1CCCC1 ZINC001509605444 1073729832 /nfs/dbraw/zinc/72/98/32/1073729832.db2.gz XBUJEXUHNKDEDG-UHFFFAOYSA-N 0 3 453.547 1.245 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001509609666 1073733191 /nfs/dbraw/zinc/73/31/91/1073733191.db2.gz APTJXBRUHJWKGF-AZUAARDMSA-N 0 3 453.591 1.920 20 0 JDADHN CC(C)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001509609675 1073733228 /nfs/dbraw/zinc/73/32/28/1073733228.db2.gz APTJXBRUHJWKGF-UYAOXDASSA-N 0 3 453.591 1.920 20 0 JDADHN CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001509610448 1073733850 /nfs/dbraw/zinc/73/38/50/1073733850.db2.gz ARMFVLJSJVRUIJ-HSQYWUDLSA-N 0 3 466.652 1.628 20 0 JDADHN CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1C[C@]1(N(C)C)CCSC1 ZINC001509610450 1073734850 /nfs/dbraw/zinc/73/48/50/1073734850.db2.gz ARMFVLJSJVRUIJ-WTOYTKOKSA-N 0 3 466.652 1.628 20 0 JDADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(O[C@@H]2CCCCNC2=O)cc1 ZINC001474933721 1069309388 /nfs/dbraw/zinc/30/93/88/1069309388.db2.gz OIJRHYCLJNNUCO-LJQANCHMSA-N 0 3 450.561 1.877 20 0 JDADHN C[C@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000049803284 563204131 /nfs/dbraw/zinc/20/41/31/563204131.db2.gz UGQUCVVGSDRFLR-INIZCTEOSA-N 0 3 462.572 1.153 20 0 JDADHN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4NCCO[C@@H]4C3)c2c1C ZINC001164391030 718824431 /nfs/dbraw/zinc/82/44/31/718824431.db2.gz SFKGJMAGKORXFK-JKSUJKDBSA-N 0 3 461.588 1.576 20 0 JDADHN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4NCCO[C@H]4C3)c2c1C ZINC001164391016 718824500 /nfs/dbraw/zinc/82/45/00/718824500.db2.gz SFKGJMAGKORXFK-HOTGVXAUSA-N 0 3 461.588 1.576 20 0 JDADHN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(c3ccc(CN4CCCC4)cn3)CC[C@@H]12 ZINC001164695914 719834112 /nfs/dbraw/zinc/83/41/12/719834112.db2.gz QQYDHHYUKKRLBD-QPPBQGQZSA-N 0 3 491.658 1.157 20 0 JDADHN COCc1nn(-c2nc3cc(CN4CCN(C)CC4)sc3c(N3CCOCC3)n2)c2c1CNC2 ZINC001164715154 720079162 /nfs/dbraw/zinc/07/91/62/720079162.db2.gz ZDTCWLBOZQBQGL-UHFFFAOYSA-N 0 3 484.630 1.211 20 0 JDADHN O=C(NC[C@@H]1CC[C@]2(COCCN(c3ccc(CN4CCCC4)cn3)C2)O1)c1cnccn1 ZINC001164820550 720273886 /nfs/dbraw/zinc/27/38/86/720273886.db2.gz WEBPAPNEAKYFMB-RDPSFJRHSA-N 0 3 452.559 1.652 20 0 JDADHN CCOC(=O)c1c[nH]c2ncnc(N3Cc4ncn(C)c4[C@H](COCCN4CCOCC4)C3)c12 ZINC001164823381 720439076 /nfs/dbraw/zinc/43/90/76/720439076.db2.gz ISJRQZMQPSJTOJ-INIZCTEOSA-N 0 3 469.546 1.321 20 0 JDADHN c1nc2n(c1CN1CCCC1)CCN(c1cc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001164732648 720553920 /nfs/dbraw/zinc/55/39/20/720553920.db2.gz BOILPIOLQYTXEA-UHFFFAOYSA-N 0 3 468.606 1.005 20 0 JDADHN c1ccc(N2CCN(c3ccc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)nn3)CC2)cc1 ZINC001164739014 720765775 /nfs/dbraw/zinc/76/57/75/720765775.db2.gz HNEHWQSVADIQNA-FCHUYYIVSA-N 0 3 458.570 1.935 20 0 JDADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)C1 ZINC001164737756 720767176 /nfs/dbraw/zinc/76/71/76/720767176.db2.gz CMYFQVSYYZFSDK-QRVBRYPASA-N 0 3 453.547 1.388 20 0 JDADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)C1 ZINC001164737755 720767543 /nfs/dbraw/zinc/76/75/43/720767543.db2.gz CMYFQVSYYZFSDK-GUDVDZBRSA-N 0 3 453.547 1.388 20 0 JDADHN c1ccc(N2CCN(c3cc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)ncn3)CC2)cc1 ZINC001164747498 720786936 /nfs/dbraw/zinc/78/69/36/720786936.db2.gz OJQOEPOTPFRROU-VXKWHMMOSA-N 0 3 458.570 1.935 20 0 JDADHN CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)n1 ZINC001164746685 720808771 /nfs/dbraw/zinc/80/87/71/720808771.db2.gz MOMRZUMIFIWJFC-OWCLPIDISA-N 0 3 451.984 1.504 20 0 JDADHN O=S1(=O)CCc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)N4CC4CC4)C3)c21 ZINC001164752625 720858854 /nfs/dbraw/zinc/85/88/54/720858854.db2.gz SZHFBVBKMKCMJE-ZMSDIMECSA-N 0 3 463.995 1.431 20 0 JDADHN CN(Cc1ccc(N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)nc1)C1CC1 ZINC001164754292 720942948 /nfs/dbraw/zinc/94/29/48/720942948.db2.gz VXXMGMZQUBYZCV-QHCPKHFHSA-N 0 3 461.632 1.386 20 0 JDADHN c1cncc(CO[C@H]2C[C@H]3CN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)CCN3C2)c1 ZINC001164868756 721060979 /nfs/dbraw/zinc/06/09/79/721060979.db2.gz QGTDQTOFWLTBQX-VXKWHMMOSA-N 0 3 481.601 1.025 20 0 JDADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)CCN3C2)c1 ZINC001164868758 721061089 /nfs/dbraw/zinc/06/10/89/721061089.db2.gz QGTDQTOFWLTBQX-YADHBBJMSA-N 0 3 481.601 1.025 20 0 JDADHN c1nc2c(nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2N2CCOCC2)s1 ZINC001164869524 721068516 /nfs/dbraw/zinc/06/85/16/721068516.db2.gz UCSFMGBAZDCYJI-ROUUACIJSA-N 0 3 453.572 1.798 20 0 JDADHN c1nc2c(nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2N2CCOCC2)s1 ZINC001164869520 721069100 /nfs/dbraw/zinc/06/91/00/721069100.db2.gz UCSFMGBAZDCYJI-MSOLQXFVSA-N 0 3 453.572 1.798 20 0 JDADHN Cn1cnc2c1nc(N1CCN3C[C@H](OCc4cccnc4)C[C@H]3C1)nc2N1CCOCC1 ZINC001164869918 721069935 /nfs/dbraw/zinc/06/99/35/721069935.db2.gz UKKXGYURPBCZMM-RBUKOAKNSA-N 0 3 450.547 1.075 20 0 JDADHN COC(=O)C1CCN(c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164865477 721109277 /nfs/dbraw/zinc/10/92/77/721109277.db2.gz LOHFZSOYRBHVBD-SFTDATJTSA-N 0 3 452.559 1.741 20 0 JDADHN COC(=O)C1CCN(c2nccnc2N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001164865124 721111537 /nfs/dbraw/zinc/11/15/37/721111537.db2.gz INHQAPNEQROUSP-RTWAWAEBSA-N 0 3 452.559 1.741 20 0 JDADHN COC(=O)C1CCN(c2nccnc2N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001164865122 721112652 /nfs/dbraw/zinc/11/26/52/721112652.db2.gz INHQAPNEQROUSP-LEWJYISDSA-N 0 3 452.559 1.741 20 0 JDADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)c1 ZINC001164872081 721137822 /nfs/dbraw/zinc/13/78/22/721137822.db2.gz GKFAPKIOXXIAMH-RTWAWAEBSA-N 0 3 450.591 1.947 20 0 JDADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)C1 ZINC001164773845 721204257 /nfs/dbraw/zinc/20/42/57/721204257.db2.gz XJPJZJRFMSLDDK-PWRODBHTSA-N 0 3 453.591 1.948 20 0 JDADHN CN(C)C(=O)CN1CCOCC2(CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)C1 ZINC001164875621 721283362 /nfs/dbraw/zinc/28/33/62/721283362.db2.gz XXMZBBKAQNJVHR-UHFFFAOYSA-N 0 3 472.638 1.079 20 0 JDADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(N5CCOCC5)nc5c4CCN5)C3)O2)CC1 ZINC001164885565 721399615 /nfs/dbraw/zinc/39/96/15/721399615.db2.gz CJCYGUDHESQNNG-CYFREDJKSA-N 0 3 457.623 1.047 20 0 JDADHN O=C(c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164904771 721558997 /nfs/dbraw/zinc/55/89/97/721558997.db2.gz FQVXTYCJTSOOIO-FPOVZHCZSA-N 0 3 474.558 1.433 20 0 JDADHN COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCN(C3CCCC3)CC2)CN1 ZINC001165028588 721856417 /nfs/dbraw/zinc/85/64/17/721856417.db2.gz NRVOMFKUDSDOJI-WIYYLYMNSA-N 0 3 455.559 1.985 20 0 JDADHN COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)CC1 ZINC001164980936 722129502 /nfs/dbraw/zinc/12/95/02/722129502.db2.gz NWGGELLYDJTYNB-YADHBBJMSA-N 0 3 466.586 1.988 20 0 JDADHN COC(=O)C1CCN(c2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164984608 722131829 /nfs/dbraw/zinc/13/18/29/722131829.db2.gz XQVHHKXMUMBDEB-FGZHOGPDSA-N 0 3 466.586 1.988 20 0 JDADHN O=S(=O)(c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1)N1CCOCC1 ZINC001164980893 722140545 /nfs/dbraw/zinc/14/05/45/722140545.db2.gz NKFPAXXXERAPSV-RBBKRZOGSA-N 0 3 473.599 1.225 20 0 JDADHN O=C(c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164984244 722148189 /nfs/dbraw/zinc/14/81/89/722148189.db2.gz WVFIIYUGWXBAKQ-FGZHOGPDSA-N 0 3 485.610 1.075 20 0 JDADHN